USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 744 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 63 LYS NZ :NH3+ -166:sc= 0.0171 (180deg=0) USER MOD Set 1.2: A 70 ASN : amide:sc= 0.528 K(o=0.0086,f=-6.8!) USER MOD Set 1.3: A 75 ASN : amide:sc= -0.536 K(o=0.0086,f=-4.5!) USER MOD Set 2.1: A 22 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0256) USER MOD Set 2.2: A 82 GLN : amide:sc=-0.000223 X(o=-0.00022,f=0.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -158:sc= -0.0282 (180deg=-0.413) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -178:sc= -2.39! (180deg=-2.5!) USER MOD Single : A 18 GLN : amide:sc= -0.876 K(o=-0.88,f=-2.3) USER MOD Single : A 19 SER OG : rot -114:sc= -2.66! USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 39:sc= 0.479 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -24:sc= 0.299 USER MOD Single : A 34 SER OG : rot -20:sc= 0.0295 USER MOD Single : A 35 ASN : amide:sc= 1.16 K(o=1.2,f=-0.26) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.156 K(o=-0.16,f=-1.3) USER MOD Single : A 50 SER OG : rot 150:sc= -2.5! USER MOD Single : A 53 HIS : no HD1:sc= -0.0822 X(o=-0.082,f=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.282 F(o=-1.3,f=-0.28) USER MOD Single : A 56 SER OG : rot 180:sc= -0.014 USER MOD Single : A 58 ASN : amide:sc= -0.479 X(o=-0.48,f=-0.3) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -161:sc= -0.0198 (180deg=-0.258) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -88:sc= -0.0869 USER MOD Single : A 86 MET CE :methyl -161:sc= -0.188 (180deg=-0.483) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot -67:sc= 0.501 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.345 0.000 0.000 1.00 1.00 N ATOM 2 CA MET A 1 2.115 0.000 -1.232 1.00 1.00 C ATOM 3 C MET A 1 2.524 -1.434 -1.572 1.00 1.00 C ATOM 4 O MET A 1 2.183 -1.901 -2.669 1.00 1.00 O ATOM 5 CB MET A 1 3.367 0.865 -1.078 1.00 1.00 C ATOM 6 CG MET A 1 3.000 2.347 -0.976 1.00 1.00 C ATOM 7 SD MET A 1 2.529 2.985 -2.610 1.00 1.00 S ATOM 8 CE MET A 1 2.521 4.768 -2.263 1.00 1.00 C ATOM 0 H1 MET A 1 0.763 0.860 0.045 1.00 1.00 H new ATOM 0 H2 MET A 1 0.728 -0.837 0.024 1.00 1.00 H new ATOM 0 H3 MET A 1 1.992 -0.023 0.814 1.00 1.00 H new ATOM 0 HA MET A 1 1.501 0.411 -2.034 1.00 1.00 H new ATOM 0 HB2 MET A 1 3.916 0.561 -0.187 1.00 1.00 H new ATOM 0 HB3 MET A 1 4.029 0.708 -1.930 1.00 1.00 H new ATOM 0 HG2 MET A 1 2.177 2.479 -0.274 1.00 1.00 H new ATOM 0 HG3 MET A 1 3.845 2.913 -0.585 1.00 1.00 H new ATOM 0 HE1 MET A 1 2.250 5.313 -3.167 1.00 1.00 H new ATOM 0 HE2 MET A 1 1.796 4.983 -1.478 1.00 1.00 H new ATOM 0 HE3 MET A 1 3.513 5.079 -1.935 1.00 1.00 H new ATOM 18 N VAL A 2 3.237 -2.094 -0.642 1.00 1.00 N ATOM 19 CA VAL A 2 3.686 -3.461 -0.842 1.00 1.00 C ATOM 20 C VAL A 2 4.139 -4.046 0.497 1.00 1.00 C ATOM 21 O VAL A 2 3.702 -5.157 0.834 1.00 1.00 O ATOM 22 CB VAL A 2 4.780 -3.501 -1.911 1.00 1.00 C ATOM 23 CG1 VAL A 2 5.995 -2.675 -1.484 1.00 1.00 C ATOM 24 CG2 VAL A 2 5.181 -4.942 -2.232 1.00 1.00 C ATOM 0 H VAL A 2 3.509 -1.691 0.255 1.00 1.00 H new ATOM 0 HA VAL A 2 2.868 -4.081 -1.208 1.00 1.00 H new ATOM 0 HB VAL A 2 4.376 -3.056 -2.820 1.00 1.00 H new ATOM 0 HG11 VAL A 2 6.757 -2.721 -2.262 1.00 1.00 H new ATOM 0 HG12 VAL A 2 5.695 -1.639 -1.331 1.00 1.00 H new ATOM 0 HG13 VAL A 2 6.400 -3.077 -0.555 1.00 1.00 H new ATOM 0 HG21 VAL A 2 5.960 -4.942 -2.995 1.00 1.00 H new ATOM 0 HG22 VAL A 2 5.557 -5.425 -1.330 1.00 1.00 H new ATOM 0 HG23 VAL A 2 4.313 -5.488 -2.601 1.00 1.00 H new ATOM 34 N LYS A 3 4.991 -3.301 1.223 1.00 1.00 N ATOM 35 CA LYS A 3 5.496 -3.743 2.512 1.00 1.00 C ATOM 36 C LYS A 3 6.444 -2.682 3.074 1.00 1.00 C ATOM 37 O LYS A 3 7.440 -2.368 2.406 1.00 1.00 O ATOM 38 CB LYS A 3 6.127 -5.131 2.393 1.00 1.00 C ATOM 39 CG LYS A 3 5.860 -5.964 3.648 1.00 1.00 C ATOM 40 CD LYS A 3 4.772 -7.009 3.392 1.00 1.00 C ATOM 41 CE LYS A 3 3.550 -6.756 4.277 1.00 1.00 C ATOM 42 NZ LYS A 3 3.515 -7.713 5.394 1.00 1.00 N ATOM 0 H LYS A 3 5.339 -2.389 0.928 1.00 1.00 H new ATOM 0 HA LYS A 3 4.679 -3.851 3.225 1.00 1.00 H new ATOM 0 HB2 LYS A 3 5.724 -5.644 1.519 1.00 1.00 H new ATOM 0 HB3 LYS A 3 7.202 -5.034 2.238 1.00 1.00 H new ATOM 0 HG2 LYS A 3 6.779 -6.460 3.962 1.00 1.00 H new ATOM 0 HG3 LYS A 3 5.556 -5.310 4.465 1.00 1.00 H new ATOM 0 HD2 LYS A 3 4.477 -6.983 2.343 1.00 1.00 H new ATOM 0 HD3 LYS A 3 5.167 -8.006 3.588 1.00 1.00 H new ATOM 0 HE2 LYS A 3 3.579 -5.737 4.664 1.00 1.00 H new ATOM 0 HE3 LYS A 3 2.640 -6.846 3.684 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 2.679 -7.527 5.984 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 3.466 -8.682 5.020 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 4.375 -7.607 5.969 1.00 1.00 H new ATOM 56 N PRO A 4 6.123 -2.161 4.272 1.00 1.00 N ATOM 57 CA PRO A 4 6.917 -1.146 4.944 1.00 1.00 C ATOM 58 C PRO A 4 8.188 -1.752 5.542 1.00 1.00 C ATOM 59 O PRO A 4 8.071 -2.608 6.431 1.00 1.00 O ATOM 60 CB PRO A 4 5.991 -0.553 5.993 1.00 1.00 C ATOM 61 CG PRO A 4 4.873 -1.566 6.183 1.00 1.00 C ATOM 62 CD PRO A 4 4.940 -2.556 5.031 1.00 1.00 C ATOM 0 HA PRO A 4 7.274 -0.372 4.264 1.00 1.00 H new ATOM 0 HB2 PRO A 4 6.522 -0.378 6.929 1.00 1.00 H new ATOM 0 HB3 PRO A 4 5.595 0.409 5.666 1.00 1.00 H new ATOM 0 HG2 PRO A 4 4.984 -2.082 7.137 1.00 1.00 H new ATOM 0 HG3 PRO A 4 3.904 -1.067 6.201 1.00 1.00 H new ATOM 0 HD2 PRO A 4 5.026 -3.580 5.394 1.00 1.00 H new ATOM 0 HD3 PRO A 4 4.041 -2.510 4.416 1.00 1.00 H new ATOM 70 N PRO A 5 9.357 -1.304 5.052 1.00 1.00 N ATOM 71 CA PRO A 5 10.653 -1.775 5.511 1.00 1.00 C ATOM 72 C PRO A 5 10.996 -1.188 6.881 1.00 1.00 C ATOM 73 O PRO A 5 10.761 0.013 7.084 1.00 1.00 O ATOM 74 CB PRO A 5 11.631 -1.359 4.424 1.00 1.00 C ATOM 75 CG PRO A 5 10.929 -0.270 3.627 1.00 1.00 C ATOM 76 CD PRO A 5 9.457 -0.293 4.003 1.00 1.00 C ATOM 0 HA PRO A 5 10.680 -2.855 5.660 1.00 1.00 H new ATOM 0 HB2 PRO A 5 12.561 -0.989 4.856 1.00 1.00 H new ATOM 0 HB3 PRO A 5 11.890 -2.205 3.787 1.00 1.00 H new ATOM 0 HG2 PRO A 5 11.364 0.705 3.847 1.00 1.00 H new ATOM 0 HG3 PRO A 5 11.053 -0.440 2.557 1.00 1.00 H new ATOM 0 HD2 PRO A 5 9.124 0.682 4.360 1.00 1.00 H new ATOM 0 HD3 PRO A 5 8.834 -0.549 3.146 1.00 1.00 H new ATOM 84 N TYR A 6 11.537 -2.030 7.779 1.00 1.00 N ATOM 85 CA TYR A 6 11.882 -1.535 9.101 1.00 1.00 C ATOM 86 C TYR A 6 13.233 -2.116 9.523 1.00 1.00 C ATOM 87 O TYR A 6 14.175 -1.330 9.701 1.00 1.00 O ATOM 88 CB TYR A 6 10.768 -1.886 10.105 1.00 1.00 C ATOM 89 CG TYR A 6 10.295 -3.332 10.042 1.00 1.00 C ATOM 90 CD1 TYR A 6 9.625 -3.807 8.891 1.00 1.00 C ATOM 91 CD2 TYR A 6 10.525 -4.208 11.127 1.00 1.00 C ATOM 92 CE1 TYR A 6 9.186 -5.147 8.827 1.00 1.00 C ATOM 93 CE2 TYR A 6 10.087 -5.548 11.063 1.00 1.00 C ATOM 94 CZ TYR A 6 9.417 -6.019 9.913 1.00 1.00 C ATOM 95 OH TYR A 6 8.990 -7.314 9.847 1.00 1.00 O ATOM 0 H TYR A 6 11.735 -3.017 7.614 1.00 1.00 H new ATOM 0 HA TYR A 6 11.971 -0.449 9.080 1.00 1.00 H new ATOM 0 HB2 TYR A 6 11.126 -1.677 11.113 1.00 1.00 H new ATOM 0 HB3 TYR A 6 9.916 -1.230 9.927 1.00 1.00 H new ATOM 0 HD1 TYR A 6 9.449 -3.142 8.058 1.00 1.00 H new ATOM 0 HD2 TYR A 6 11.038 -3.851 12.008 1.00 1.00 H new ATOM 0 HE1 TYR A 6 8.673 -5.505 7.947 1.00 1.00 H new ATOM 0 HE2 TYR A 6 10.265 -6.214 11.895 1.00 1.00 H new ATOM 0 HH TYR A 6 9.229 -7.780 10.676 1.00 1.00 H new ATOM 105 N SER A 7 13.301 -3.450 9.679 1.00 1.00 N ATOM 106 CA SER A 7 14.527 -4.116 10.086 1.00 1.00 C ATOM 107 C SER A 7 14.670 -5.429 9.313 1.00 1.00 C ATOM 108 O SER A 7 13.695 -6.193 9.265 1.00 1.00 O ATOM 109 CB SER A 7 14.547 -4.382 11.592 1.00 1.00 C ATOM 110 OG SER A 7 14.490 -3.175 12.348 1.00 1.00 O ATOM 0 H SER A 7 12.513 -4.080 9.526 1.00 1.00 H new ATOM 0 HA SER A 7 15.368 -3.461 9.858 1.00 1.00 H new ATOM 0 HB2 SER A 7 13.703 -5.017 11.859 1.00 1.00 H new ATOM 0 HB3 SER A 7 15.453 -4.930 11.851 1.00 1.00 H new ATOM 0 HG SER A 7 14.503 -3.387 13.305 1.00 1.00 H new ATOM 116 N TYR A 8 15.861 -5.661 8.735 1.00 1.00 N ATOM 117 CA TYR A 8 16.060 -6.888 7.983 1.00 1.00 C ATOM 118 C TYR A 8 16.241 -8.054 8.957 1.00 1.00 C ATOM 119 O TYR A 8 15.976 -9.196 8.553 1.00 1.00 O ATOM 120 CB TYR A 8 17.265 -6.740 7.036 1.00 1.00 C ATOM 121 CG TYR A 8 18.053 -5.450 7.214 1.00 1.00 C ATOM 122 CD1 TYR A 8 17.613 -4.253 6.603 1.00 1.00 C ATOM 123 CD2 TYR A 8 19.235 -5.444 7.989 1.00 1.00 C ATOM 124 CE1 TYR A 8 18.348 -3.060 6.768 1.00 1.00 C ATOM 125 CE2 TYR A 8 19.971 -4.252 8.154 1.00 1.00 C ATOM 126 CZ TYR A 8 19.528 -3.058 7.545 1.00 1.00 C ATOM 127 OH TYR A 8 20.242 -1.905 7.708 1.00 1.00 O ATOM 0 H TYR A 8 16.666 -5.035 8.776 1.00 1.00 H new ATOM 0 HA TYR A 8 15.185 -7.093 7.366 1.00 1.00 H new ATOM 0 HB2 TYR A 8 17.937 -7.585 7.188 1.00 1.00 H new ATOM 0 HB3 TYR A 8 16.911 -6.796 6.007 1.00 1.00 H new ATOM 0 HD1 TYR A 8 16.712 -4.252 6.008 1.00 1.00 H new ATOM 0 HD2 TYR A 8 19.576 -6.356 8.457 1.00 1.00 H new ATOM 0 HE1 TYR A 8 18.008 -2.148 6.300 1.00 1.00 H new ATOM 0 HE2 TYR A 8 20.874 -4.253 8.747 1.00 1.00 H new ATOM 0 HH TYR A 8 21.024 -2.081 8.272 1.00 1.00 H new ATOM 137 N ILE A 9 16.686 -7.756 10.190 1.00 1.00 N ATOM 138 CA ILE A 9 16.906 -8.779 11.198 1.00 1.00 C ATOM 139 C ILE A 9 15.654 -9.651 11.315 1.00 1.00 C ATOM 140 O ILE A 9 15.798 -10.874 11.459 1.00 1.00 O ATOM 141 CB ILE A 9 17.338 -8.144 12.521 1.00 1.00 C ATOM 142 CG1 ILE A 9 18.602 -7.301 12.337 1.00 1.00 C ATOM 143 CG2 ILE A 9 17.511 -9.206 13.608 1.00 1.00 C ATOM 144 CD1 ILE A 9 19.857 -8.120 12.644 1.00 1.00 C ATOM 0 H ILE A 9 16.898 -6.808 10.502 1.00 1.00 H new ATOM 0 HA ILE A 9 17.726 -9.434 10.903 1.00 1.00 H new ATOM 0 HB ILE A 9 16.547 -7.471 12.852 1.00 1.00 H new ATOM 0 HG12 ILE A 9 18.648 -6.927 11.314 1.00 1.00 H new ATOM 0 HG13 ILE A 9 18.562 -6.431 12.993 1.00 1.00 H new ATOM 0 HG21 ILE A 9 17.818 -8.728 14.538 1.00 1.00 H new ATOM 0 HG22 ILE A 9 16.566 -9.726 13.762 1.00 1.00 H new ATOM 0 HG23 ILE A 9 18.273 -9.922 13.299 1.00 1.00 H new ATOM 0 HD11 ILE A 9 20.741 -7.497 12.505 1.00 1.00 H new ATOM 0 HD12 ILE A 9 19.819 -8.472 13.675 1.00 1.00 H new ATOM 0 HD13 ILE A 9 19.907 -8.976 11.971 1.00 1.00 H new ATOM 156 N ALA A 10 14.470 -9.017 11.251 1.00 1.00 N ATOM 157 CA ALA A 10 13.208 -9.730 11.349 1.00 1.00 C ATOM 158 C ALA A 10 13.037 -10.627 10.121 1.00 1.00 C ATOM 159 O ALA A 10 12.523 -11.744 10.274 1.00 1.00 O ATOM 160 CB ALA A 10 12.048 -8.732 11.315 1.00 1.00 C ATOM 0 H ALA A 10 14.373 -8.009 11.131 1.00 1.00 H new ATOM 0 HA ALA A 10 13.209 -10.307 12.274 1.00 1.00 H new ATOM 0 HB1 ALA A 10 11.103 -9.270 11.389 1.00 1.00 H new ATOM 0 HB2 ALA A 10 12.138 -8.041 12.153 1.00 1.00 H new ATOM 0 HB3 ALA A 10 12.076 -8.174 10.379 1.00 1.00 H new ATOM 166 N LEU A 11 13.465 -10.129 8.948 1.00 1.00 N ATOM 167 CA LEU A 11 13.360 -10.880 7.708 1.00 1.00 C ATOM 168 C LEU A 11 14.286 -12.096 7.774 1.00 1.00 C ATOM 169 O LEU A 11 13.886 -13.169 7.298 1.00 1.00 O ATOM 170 CB LEU A 11 13.625 -9.970 6.507 1.00 1.00 C ATOM 171 CG LEU A 11 12.526 -8.958 6.177 1.00 1.00 C ATOM 172 CD1 LEU A 11 12.292 -8.002 7.348 1.00 1.00 C ATOM 173 CD2 LEU A 11 12.841 -8.210 4.880 1.00 1.00 C ATOM 0 H LEU A 11 13.886 -9.206 8.844 1.00 1.00 H new ATOM 0 HA LEU A 11 12.346 -11.257 7.575 1.00 1.00 H new ATOM 0 HB2 LEU A 11 14.551 -9.425 6.687 1.00 1.00 H new ATOM 0 HB3 LEU A 11 13.789 -10.597 5.631 1.00 1.00 H new ATOM 0 HG LEU A 11 11.596 -9.503 6.016 1.00 1.00 H new ATOM 0 HD11 LEU A 11 11.506 -7.293 7.087 1.00 1.00 H new ATOM 0 HD12 LEU A 11 11.990 -8.571 8.227 1.00 1.00 H new ATOM 0 HD13 LEU A 11 13.212 -7.460 7.565 1.00 1.00 H new ATOM 0 HD21 LEU A 11 12.044 -7.497 4.668 1.00 1.00 H new ATOM 0 HD22 LEU A 11 13.786 -7.677 4.988 1.00 1.00 H new ATOM 0 HD23 LEU A 11 12.918 -8.922 4.059 1.00 1.00 H new ATOM 185 N ILE A 12 15.486 -11.909 8.354 1.00 1.00 N ATOM 186 CA ILE A 12 16.456 -12.983 8.479 1.00 1.00 C ATOM 187 C ILE A 12 15.811 -14.165 9.205 1.00 1.00 C ATOM 188 O ILE A 12 15.973 -15.303 8.740 1.00 1.00 O ATOM 189 CB ILE A 12 17.735 -12.475 9.148 1.00 1.00 C ATOM 190 CG1 ILE A 12 18.400 -11.387 8.303 1.00 1.00 C ATOM 191 CG2 ILE A 12 18.691 -13.630 9.452 1.00 1.00 C ATOM 192 CD1 ILE A 12 18.874 -11.948 6.960 1.00 1.00 C ATOM 0 H ILE A 12 15.796 -11.017 8.741 1.00 1.00 H new ATOM 0 HA ILE A 12 16.758 -13.339 7.494 1.00 1.00 H new ATOM 0 HB ILE A 12 17.465 -12.022 10.102 1.00 1.00 H new ATOM 0 HG12 ILE A 12 17.696 -10.573 8.133 1.00 1.00 H new ATOM 0 HG13 ILE A 12 19.247 -10.968 8.845 1.00 1.00 H new ATOM 0 HG21 ILE A 12 19.592 -13.241 9.927 1.00 1.00 H new ATOM 0 HG22 ILE A 12 18.204 -14.339 10.122 1.00 1.00 H new ATOM 0 HG23 ILE A 12 18.959 -14.134 8.524 1.00 1.00 H new ATOM 0 HD11 ILE A 12 19.343 -11.154 6.379 1.00 1.00 H new ATOM 0 HD12 ILE A 12 19.596 -12.746 7.133 1.00 1.00 H new ATOM 0 HD13 ILE A 12 18.021 -12.345 6.410 1.00 1.00 H new ATOM 204 N THR A 13 15.103 -13.879 10.312 1.00 1.00 N ATOM 205 CA THR A 13 14.442 -14.911 11.092 1.00 1.00 C ATOM 206 C THR A 13 13.706 -15.864 10.148 1.00 1.00 C ATOM 207 O THR A 13 13.738 -17.079 10.394 1.00 1.00 O ATOM 208 CB THR A 13 13.523 -14.238 12.114 1.00 1.00 C ATOM 209 OG1 THR A 13 14.405 -13.816 13.149 1.00 1.00 O ATOM 210 CG2 THR A 13 12.587 -15.233 12.804 1.00 1.00 C ATOM 0 H THR A 13 14.981 -12.935 10.678 1.00 1.00 H new ATOM 0 HA THR A 13 15.159 -15.515 11.648 1.00 1.00 H new ATOM 0 HB THR A 13 12.932 -13.467 11.619 1.00 1.00 H new ATOM 0 HG1 THR A 13 13.892 -13.367 13.853 1.00 1.00 H new ATOM 0 HG21 THR A 13 11.957 -14.704 13.519 1.00 1.00 H new ATOM 0 HG22 THR A 13 11.959 -15.720 12.058 1.00 1.00 H new ATOM 0 HG23 THR A 13 13.177 -15.985 13.328 1.00 1.00 H new ATOM 218 N MET A 14 13.069 -15.305 9.104 1.00 1.00 N ATOM 219 CA MET A 14 12.333 -16.100 8.135 1.00 1.00 C ATOM 220 C MET A 14 13.314 -16.698 7.124 1.00 1.00 C ATOM 221 O MET A 14 13.079 -17.829 6.674 1.00 1.00 O ATOM 222 CB MET A 14 11.309 -15.231 7.401 1.00 1.00 C ATOM 223 CG MET A 14 10.261 -16.096 6.698 1.00 1.00 C ATOM 224 SD MET A 14 8.994 -15.040 5.937 1.00 1.00 S ATOM 225 CE MET A 14 9.891 -14.487 4.457 1.00 1.00 C ATOM 0 H MET A 14 13.056 -14.302 8.919 1.00 1.00 H new ATOM 0 HA MET A 14 11.806 -16.898 8.657 1.00 1.00 H new ATOM 0 HB2 MET A 14 10.819 -14.563 8.109 1.00 1.00 H new ATOM 0 HB3 MET A 14 11.817 -14.603 6.670 1.00 1.00 H new ATOM 0 HG2 MET A 14 10.738 -16.713 5.936 1.00 1.00 H new ATOM 0 HG3 MET A 14 9.798 -16.775 7.414 1.00 1.00 H new ATOM 0 HE1 MET A 14 9.266 -13.797 3.890 1.00 1.00 H new ATOM 0 HE2 MET A 14 10.810 -13.983 4.756 1.00 1.00 H new ATOM 0 HE3 MET A 14 10.135 -15.349 3.836 1.00 1.00 H new ATOM 235 N ALA A 15 14.375 -15.941 6.793 1.00 1.00 N ATOM 236 CA ALA A 15 15.378 -16.394 5.845 1.00 1.00 C ATOM 237 C ALA A 15 16.024 -17.679 6.367 1.00 1.00 C ATOM 238 O ALA A 15 16.035 -18.676 5.630 1.00 1.00 O ATOM 239 CB ALA A 15 16.500 -15.358 5.748 1.00 1.00 C ATOM 0 H ALA A 15 14.550 -15.012 7.176 1.00 1.00 H new ATOM 0 HA ALA A 15 14.896 -16.549 4.880 1.00 1.00 H new ATOM 0 HB1 ALA A 15 17.251 -15.701 5.036 1.00 1.00 H new ATOM 0 HB2 ALA A 15 16.088 -14.406 5.412 1.00 1.00 H new ATOM 0 HB3 ALA A 15 16.961 -15.228 6.727 1.00 1.00 H new ATOM 245 N ILE A 16 16.541 -17.632 7.608 1.00 1.00 N ATOM 246 CA ILE A 16 17.181 -18.783 8.220 1.00 1.00 C ATOM 247 C ILE A 16 16.148 -19.896 8.408 1.00 1.00 C ATOM 248 O ILE A 16 16.485 -21.063 8.160 1.00 1.00 O ATOM 249 CB ILE A 16 17.891 -18.378 9.513 1.00 1.00 C ATOM 250 CG1 ILE A 16 19.198 -19.153 9.687 1.00 1.00 C ATOM 251 CG2 ILE A 16 16.964 -18.538 10.720 1.00 1.00 C ATOM 252 CD1 ILE A 16 18.926 -20.630 9.976 1.00 1.00 C ATOM 0 H ILE A 16 16.522 -16.801 8.199 1.00 1.00 H new ATOM 0 HA ILE A 16 17.960 -19.177 7.567 1.00 1.00 H new ATOM 0 HB ILE A 16 18.151 -17.322 9.444 1.00 1.00 H new ATOM 0 HG12 ILE A 16 19.802 -19.061 8.785 1.00 1.00 H new ATOM 0 HG13 ILE A 16 19.776 -18.720 10.503 1.00 1.00 H new ATOM 0 HG21 ILE A 16 17.493 -18.244 11.626 1.00 1.00 H new ATOM 0 HG22 ILE A 16 16.086 -17.906 10.591 1.00 1.00 H new ATOM 0 HG23 ILE A 16 16.652 -19.579 10.804 1.00 1.00 H new ATOM 0 HD11 ILE A 16 19.872 -21.158 10.095 1.00 1.00 H new ATOM 0 HD12 ILE A 16 18.342 -20.720 10.892 1.00 1.00 H new ATOM 0 HD13 ILE A 16 18.369 -21.066 9.147 1.00 1.00 H new ATOM 264 N LEU A 17 14.929 -19.520 8.836 1.00 1.00 N ATOM 265 CA LEU A 17 13.860 -20.479 9.055 1.00 1.00 C ATOM 266 C LEU A 17 13.660 -21.311 7.786 1.00 1.00 C ATOM 267 O LEU A 17 13.399 -22.517 7.907 1.00 1.00 O ATOM 268 CB LEU A 17 12.591 -19.768 9.530 1.00 1.00 C ATOM 269 CG LEU A 17 12.501 -19.489 11.031 1.00 1.00 C ATOM 270 CD1 LEU A 17 11.405 -18.465 11.334 1.00 1.00 C ATOM 271 CD2 LEU A 17 12.308 -20.786 11.819 1.00 1.00 C ATOM 0 H LEU A 17 14.671 -18.553 9.034 1.00 1.00 H new ATOM 0 HA LEU A 17 14.127 -21.172 9.853 1.00 1.00 H new ATOM 0 HB2 LEU A 17 12.509 -18.820 8.999 1.00 1.00 H new ATOM 0 HB3 LEU A 17 11.730 -20.371 9.240 1.00 1.00 H new ATOM 0 HG LEU A 17 13.446 -19.053 11.355 1.00 1.00 H new ATOM 0 HD11 LEU A 17 11.362 -18.285 12.408 1.00 1.00 H new ATOM 0 HD12 LEU A 17 11.627 -17.531 10.818 1.00 1.00 H new ATOM 0 HD13 LEU A 17 10.444 -18.849 10.992 1.00 1.00 H new ATOM 0 HD21 LEU A 17 12.247 -20.559 12.883 1.00 1.00 H new ATOM 0 HD22 LEU A 17 11.387 -21.273 11.498 1.00 1.00 H new ATOM 0 HD23 LEU A 17 13.152 -21.451 11.637 1.00 1.00 H new ATOM 283 N GLN A 18 13.784 -20.662 6.615 1.00 1.00 N ATOM 284 CA GLN A 18 13.618 -21.338 5.339 1.00 1.00 C ATOM 285 C GLN A 18 14.512 -22.579 5.304 1.00 1.00 C ATOM 286 O GLN A 18 14.241 -23.478 4.495 1.00 1.00 O ATOM 287 CB GLN A 18 13.928 -20.406 4.165 1.00 1.00 C ATOM 288 CG GLN A 18 15.424 -20.408 3.844 1.00 1.00 C ATOM 289 CD GLN A 18 15.734 -21.352 2.681 1.00 1.00 C ATOM 290 OE1 GLN A 18 14.965 -22.239 2.345 1.00 1.00 O ATOM 291 NE2 GLN A 18 16.899 -21.114 2.086 1.00 1.00 N ATOM 0 H GLN A 18 13.999 -19.668 6.538 1.00 1.00 H new ATOM 0 HA GLN A 18 12.576 -21.642 5.237 1.00 1.00 H new ATOM 0 HB2 GLN A 18 13.364 -20.721 3.287 1.00 1.00 H new ATOM 0 HB3 GLN A 18 13.605 -19.393 4.405 1.00 1.00 H new ATOM 0 HG2 GLN A 18 15.747 -19.398 3.593 1.00 1.00 H new ATOM 0 HG3 GLN A 18 15.988 -20.713 4.725 1.00 1.00 H new ATOM 0 HE21 GLN A 18 17.495 -20.356 2.417 1.00 1.00 H new ATOM 0 HE22 GLN A 18 17.196 -21.690 1.298 1.00 1.00 H new ATOM 300 N SER A 19 15.542 -22.604 6.169 1.00 1.00 N ATOM 301 CA SER A 19 16.463 -23.726 6.236 1.00 1.00 C ATOM 302 C SER A 19 16.318 -24.419 7.592 1.00 1.00 C ATOM 303 O SER A 19 17.131 -24.142 8.486 1.00 1.00 O ATOM 304 CB SER A 19 17.910 -23.275 6.023 1.00 1.00 C ATOM 305 OG SER A 19 18.112 -22.729 4.722 1.00 1.00 O ATOM 0 H SER A 19 15.748 -21.853 6.828 1.00 1.00 H new ATOM 0 HA SER A 19 16.216 -24.425 5.437 1.00 1.00 H new ATOM 0 HB2 SER A 19 18.172 -22.530 6.774 1.00 1.00 H new ATOM 0 HB3 SER A 19 18.579 -24.123 6.169 1.00 1.00 H new ATOM 0 HG SER A 19 18.714 -23.311 4.213 1.00 1.00 H new ATOM 311 N PRO A 20 15.303 -25.293 7.716 1.00 1.00 N ATOM 312 CA PRO A 20 15.027 -26.034 8.935 1.00 1.00 C ATOM 313 C PRO A 20 16.034 -27.169 9.126 1.00 1.00 C ATOM 314 O PRO A 20 15.891 -27.927 10.097 1.00 1.00 O ATOM 315 CB PRO A 20 13.597 -26.527 8.780 1.00 1.00 C ATOM 316 CG PRO A 20 13.286 -26.444 7.295 1.00 1.00 C ATOM 317 CD PRO A 20 14.363 -25.594 6.640 1.00 1.00 C ATOM 0 HA PRO A 20 15.128 -25.423 9.832 1.00 1.00 H new ATOM 0 HB2 PRO A 20 13.495 -27.549 9.144 1.00 1.00 H new ATOM 0 HB3 PRO A 20 12.907 -25.912 9.358 1.00 1.00 H new ATOM 0 HG2 PRO A 20 13.265 -27.440 6.853 1.00 1.00 H new ATOM 0 HG3 PRO A 20 12.302 -26.003 7.135 1.00 1.00 H new ATOM 0 HD2 PRO A 20 14.851 -26.131 5.827 1.00 1.00 H new ATOM 0 HD3 PRO A 20 13.944 -24.683 6.214 1.00 1.00 H new ATOM 325 N GLN A 21 17.016 -27.263 8.212 1.00 1.00 N ATOM 326 CA GLN A 21 18.035 -28.297 8.281 1.00 1.00 C ATOM 327 C GLN A 21 19.379 -27.659 8.641 1.00 1.00 C ATOM 328 O GLN A 21 19.784 -27.757 9.808 1.00 1.00 O ATOM 329 CB GLN A 21 18.133 -29.077 6.968 1.00 1.00 C ATOM 330 CG GLN A 21 17.677 -30.525 7.156 1.00 1.00 C ATOM 331 CD GLN A 21 16.917 -31.025 5.926 1.00 1.00 C ATOM 332 OE1 GLN A 21 15.720 -31.260 5.957 1.00 1.00 O ATOM 333 NE2 GLN A 21 17.676 -31.173 4.844 1.00 1.00 N ATOM 0 H GLN A 21 17.116 -26.629 7.420 1.00 1.00 H new ATOM 0 HA GLN A 21 17.757 -29.012 9.055 1.00 1.00 H new ATOM 0 HB2 GLN A 21 17.519 -28.594 6.207 1.00 1.00 H new ATOM 0 HB3 GLN A 21 19.161 -29.060 6.606 1.00 1.00 H new ATOM 0 HG2 GLN A 21 18.543 -31.162 7.337 1.00 1.00 H new ATOM 0 HG3 GLN A 21 17.039 -30.598 8.037 1.00 1.00 H new ATOM 0 HE21 GLN A 21 18.672 -30.958 4.887 1.00 1.00 H new ATOM 0 HE22 GLN A 21 17.262 -31.501 3.972 1.00 1.00 H new ATOM 342 N LYS A 22 20.032 -27.029 7.648 1.00 1.00 N ATOM 343 CA LYS A 22 21.316 -26.383 7.860 1.00 1.00 C ATOM 344 C LYS A 22 21.982 -26.127 6.506 1.00 1.00 C ATOM 345 O LYS A 22 23.188 -26.388 6.384 1.00 1.00 O ATOM 346 CB LYS A 22 22.177 -27.204 8.823 1.00 1.00 C ATOM 347 CG LYS A 22 22.256 -26.533 10.195 1.00 1.00 C ATOM 348 CD LYS A 22 22.961 -27.437 11.208 1.00 1.00 C ATOM 349 CE LYS A 22 22.007 -28.503 11.750 1.00 1.00 C ATOM 350 NZ LYS A 22 21.117 -27.927 12.771 1.00 1.00 N ATOM 0 H LYS A 22 19.681 -26.960 6.693 1.00 1.00 H new ATOM 0 HA LYS A 22 21.180 -25.413 8.338 1.00 1.00 H new ATOM 0 HB2 LYS A 22 21.759 -28.205 8.927 1.00 1.00 H new ATOM 0 HB3 LYS A 22 23.180 -27.319 8.412 1.00 1.00 H new ATOM 0 HG2 LYS A 22 22.792 -25.588 10.111 1.00 1.00 H new ATOM 0 HG3 LYS A 22 21.251 -26.300 10.548 1.00 1.00 H new ATOM 0 HD2 LYS A 22 23.819 -27.917 10.737 1.00 1.00 H new ATOM 0 HD3 LYS A 22 23.345 -26.835 12.032 1.00 1.00 H new ATOM 0 HE2 LYS A 22 21.414 -28.918 10.935 1.00 1.00 H new ATOM 0 HE3 LYS A 22 22.578 -29.326 12.179 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 20.646 -28.693 13.293 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 21.675 -27.349 13.432 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 20.400 -27.331 12.310 1.00 1.00 H new ATOM 364 N LYS A 23 21.198 -25.629 5.534 1.00 1.00 N ATOM 365 CA LYS A 23 21.708 -25.341 4.204 1.00 1.00 C ATOM 366 C LYS A 23 21.149 -24.000 3.727 1.00 1.00 C ATOM 367 O LYS A 23 20.027 -23.983 3.198 1.00 1.00 O ATOM 368 CB LYS A 23 21.414 -26.504 3.254 1.00 1.00 C ATOM 369 CG LYS A 23 22.708 -27.173 2.789 1.00 1.00 C ATOM 370 CD LYS A 23 22.588 -28.698 2.845 1.00 1.00 C ATOM 371 CE LYS A 23 23.047 -29.234 4.202 1.00 1.00 C ATOM 372 NZ LYS A 23 22.093 -30.233 4.711 1.00 1.00 N ATOM 0 H LYS A 23 20.207 -25.421 5.656 1.00 1.00 H new ATOM 0 HA LYS A 23 22.793 -25.244 4.225 1.00 1.00 H new ATOM 0 HB2 LYS A 23 20.782 -27.237 3.755 1.00 1.00 H new ATOM 0 HB3 LYS A 23 20.858 -26.141 2.390 1.00 1.00 H new ATOM 0 HG2 LYS A 23 22.938 -26.860 1.771 1.00 1.00 H new ATOM 0 HG3 LYS A 23 23.537 -26.847 3.417 1.00 1.00 H new ATOM 0 HD2 LYS A 23 21.554 -28.992 2.665 1.00 1.00 H new ATOM 0 HD3 LYS A 23 23.189 -29.143 2.052 1.00 1.00 H new ATOM 0 HE2 LYS A 23 24.036 -29.682 4.107 1.00 1.00 H new ATOM 0 HE3 LYS A 23 23.136 -28.413 4.913 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 22.420 -30.587 5.633 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 21.156 -29.794 4.820 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 22.028 -31.025 4.040 1.00 1.00 H new ATOM 386 N LEU A 24 21.927 -22.920 3.918 1.00 1.00 N ATOM 387 CA LEU A 24 21.512 -21.589 3.510 1.00 1.00 C ATOM 388 C LEU A 24 22.508 -21.040 2.486 1.00 1.00 C ATOM 389 O LEU A 24 23.672 -20.824 2.853 1.00 1.00 O ATOM 390 CB LEU A 24 21.327 -20.687 4.732 1.00 1.00 C ATOM 391 CG LEU A 24 20.195 -21.074 5.686 1.00 1.00 C ATOM 392 CD1 LEU A 24 20.617 -20.882 7.144 1.00 1.00 C ATOM 393 CD2 LEU A 24 18.913 -20.307 5.355 1.00 1.00 C ATOM 0 H LEU A 24 22.848 -22.955 4.355 1.00 1.00 H new ATOM 0 HA LEU A 24 20.539 -21.627 3.020 1.00 1.00 H new ATOM 0 HB2 LEU A 24 22.261 -20.674 5.294 1.00 1.00 H new ATOM 0 HB3 LEU A 24 21.150 -19.669 4.384 1.00 1.00 H new ATOM 0 HG LEU A 24 19.981 -22.134 5.550 1.00 1.00 H new ATOM 0 HD11 LEU A 24 19.794 -21.164 7.801 1.00 1.00 H new ATOM 0 HD12 LEU A 24 21.483 -21.508 7.358 1.00 1.00 H new ATOM 0 HD13 LEU A 24 20.875 -19.837 7.314 1.00 1.00 H new ATOM 0 HD21 LEU A 24 18.124 -20.601 6.048 1.00 1.00 H new ATOM 0 HD22 LEU A 24 19.096 -19.236 5.446 1.00 1.00 H new ATOM 0 HD23 LEU A 24 18.604 -20.537 4.335 1.00 1.00 H new ATOM 405 N THR A 25 22.039 -20.830 1.243 1.00 1.00 N ATOM 406 CA THR A 25 22.882 -20.311 0.179 1.00 1.00 C ATOM 407 C THR A 25 22.569 -18.830 -0.038 1.00 1.00 C ATOM 408 O THR A 25 21.441 -18.520 -0.450 1.00 1.00 O ATOM 409 CB THR A 25 22.672 -21.167 -1.072 1.00 1.00 C ATOM 410 OG1 THR A 25 21.256 -21.258 -1.196 1.00 1.00 O ATOM 411 CG2 THR A 25 23.123 -22.616 -0.873 1.00 1.00 C ATOM 0 H THR A 25 21.076 -21.016 0.961 1.00 1.00 H new ATOM 0 HA THR A 25 23.939 -20.371 0.439 1.00 1.00 H new ATOM 0 HB THR A 25 23.218 -20.729 -1.907 1.00 1.00 H new ATOM 0 HG1 THR A 25 20.851 -20.398 -0.959 1.00 1.00 H new ATOM 0 HG21 THR A 25 22.952 -23.179 -1.790 1.00 1.00 H new ATOM 0 HG22 THR A 25 24.185 -22.636 -0.627 1.00 1.00 H new ATOM 0 HG23 THR A 25 22.554 -23.066 -0.060 1.00 1.00 H new ATOM 419 N LEU A 26 23.556 -17.958 0.237 1.00 1.00 N ATOM 420 CA LEU A 26 23.386 -16.525 0.072 1.00 1.00 C ATOM 421 C LEU A 26 22.677 -16.249 -1.255 1.00 1.00 C ATOM 422 O LEU A 26 21.881 -15.300 -1.313 1.00 1.00 O ATOM 423 CB LEU A 26 24.729 -15.806 0.213 1.00 1.00 C ATOM 424 CG LEU A 26 24.906 -14.543 -0.632 1.00 1.00 C ATOM 425 CD1 LEU A 26 24.072 -13.388 -0.072 1.00 1.00 C ATOM 426 CD2 LEU A 26 26.384 -14.172 -0.761 1.00 1.00 C ATOM 0 H LEU A 26 24.478 -18.234 0.575 1.00 1.00 H new ATOM 0 HA LEU A 26 22.752 -16.124 0.862 1.00 1.00 H new ATOM 0 HB2 LEU A 26 24.868 -15.540 1.261 1.00 1.00 H new ATOM 0 HB3 LEU A 26 25.523 -16.507 -0.046 1.00 1.00 H new ATOM 0 HG LEU A 26 24.537 -14.750 -1.637 1.00 1.00 H new ATOM 0 HD11 LEU A 26 24.216 -12.502 -0.691 1.00 1.00 H new ATOM 0 HD12 LEU A 26 23.018 -13.666 -0.075 1.00 1.00 H new ATOM 0 HD13 LEU A 26 24.388 -13.173 0.949 1.00 1.00 H new ATOM 0 HD21 LEU A 26 26.481 -13.271 -1.366 1.00 1.00 H new ATOM 0 HD22 LEU A 26 26.801 -13.991 0.229 1.00 1.00 H new ATOM 0 HD23 LEU A 26 26.924 -14.990 -1.238 1.00 1.00 H new ATOM 438 N SER A 27 22.973 -17.070 -2.278 1.00 1.00 N ATOM 439 CA SER A 27 22.368 -16.915 -3.590 1.00 1.00 C ATOM 440 C SER A 27 20.891 -17.305 -3.515 1.00 1.00 C ATOM 441 O SER A 27 20.066 -16.609 -4.126 1.00 1.00 O ATOM 442 CB SER A 27 23.088 -17.761 -4.642 1.00 1.00 C ATOM 443 OG SER A 27 22.221 -18.136 -5.710 1.00 1.00 O ATOM 0 H SER A 27 23.631 -17.846 -2.209 1.00 1.00 H new ATOM 0 HA SER A 27 22.458 -15.871 -3.892 1.00 1.00 H new ATOM 0 HB2 SER A 27 23.934 -17.201 -5.041 1.00 1.00 H new ATOM 0 HB3 SER A 27 23.493 -18.657 -4.172 1.00 1.00 H new ATOM 0 HG SER A 27 22.718 -18.674 -6.361 1.00 1.00 H new ATOM 449 N GLY A 28 20.591 -18.390 -2.781 1.00 1.00 N ATOM 450 CA GLY A 28 19.226 -18.865 -2.629 1.00 1.00 C ATOM 451 C GLY A 28 18.505 -18.007 -1.588 1.00 1.00 C ATOM 452 O GLY A 28 17.265 -17.995 -1.589 1.00 1.00 O ATOM 0 H GLY A 28 21.286 -18.949 -2.286 1.00 1.00 H new ATOM 0 HA2 GLY A 28 18.703 -18.815 -3.584 1.00 1.00 H new ATOM 0 HA3 GLY A 28 19.225 -19.910 -2.320 1.00 1.00 H new ATOM 456 N ILE A 29 19.282 -17.318 -0.733 1.00 1.00 N ATOM 457 CA ILE A 29 18.721 -16.467 0.303 1.00 1.00 C ATOM 458 C ILE A 29 18.283 -15.138 -0.317 1.00 1.00 C ATOM 459 O ILE A 29 17.170 -14.684 -0.013 1.00 1.00 O ATOM 460 CB ILE A 29 19.709 -16.309 1.460 1.00 1.00 C ATOM 461 CG1 ILE A 29 19.417 -17.319 2.572 1.00 1.00 C ATOM 462 CG2 ILE A 29 19.719 -14.871 1.981 1.00 1.00 C ATOM 463 CD1 ILE A 29 19.940 -18.709 2.201 1.00 1.00 C ATOM 0 H ILE A 29 20.302 -17.342 -0.749 1.00 1.00 H new ATOM 0 HA ILE A 29 17.832 -16.927 0.734 1.00 1.00 H new ATOM 0 HB ILE A 29 20.710 -16.522 1.085 1.00 1.00 H new ATOM 0 HG12 ILE A 29 19.882 -16.988 3.501 1.00 1.00 H new ATOM 0 HG13 ILE A 29 18.343 -17.367 2.752 1.00 1.00 H new ATOM 0 HG21 ILE A 29 20.430 -14.787 2.803 1.00 1.00 H new ATOM 0 HG22 ILE A 29 20.012 -14.195 1.178 1.00 1.00 H new ATOM 0 HG23 ILE A 29 18.723 -14.605 2.334 1.00 1.00 H new ATOM 0 HD11 ILE A 29 19.720 -19.408 3.008 1.00 1.00 H new ATOM 0 HD12 ILE A 29 19.455 -19.048 1.285 1.00 1.00 H new ATOM 0 HD13 ILE A 29 21.018 -18.663 2.045 1.00 1.00 H new ATOM 475 N CYS A 30 19.151 -14.552 -1.160 1.00 1.00 N ATOM 476 CA CYS A 30 18.855 -13.288 -1.814 1.00 1.00 C ATOM 477 C CYS A 30 17.605 -13.449 -2.681 1.00 1.00 C ATOM 478 O CYS A 30 16.744 -12.557 -2.645 1.00 1.00 O ATOM 479 CB CYS A 30 20.053 -12.793 -2.627 1.00 1.00 C ATOM 480 SG CYS A 30 20.491 -13.834 -4.050 1.00 1.00 S ATOM 0 H CYS A 30 20.062 -14.943 -1.398 1.00 1.00 H new ATOM 0 HA CYS A 30 18.657 -12.528 -1.058 1.00 1.00 H new ATOM 0 HB2 CYS A 30 19.841 -11.785 -2.984 1.00 1.00 H new ATOM 0 HB3 CYS A 30 20.918 -12.722 -1.967 1.00 1.00 H new ATOM 0 HG CYS A 30 20.065 -15.046 -3.849 1.00 1.00 H new ATOM 486 N GLU A 31 17.531 -14.563 -3.431 1.00 1.00 N ATOM 487 CA GLU A 31 16.396 -14.834 -4.297 1.00 1.00 C ATOM 488 C GLU A 31 15.159 -15.108 -3.440 1.00 1.00 C ATOM 489 O GLU A 31 14.041 -14.918 -3.940 1.00 1.00 O ATOM 490 CB GLU A 31 16.677 -16.004 -5.243 1.00 1.00 C ATOM 491 CG GLU A 31 16.284 -17.335 -4.600 1.00 1.00 C ATOM 492 CD GLU A 31 16.590 -18.507 -5.535 1.00 1.00 C ATOM 493 OE1 GLU A 31 16.289 -18.309 -6.774 1.00 1.00 O ATOM 494 OE2 GLU A 31 17.090 -19.547 -5.082 1.00 1.00 O ATOM 0 H GLU A 31 18.252 -15.285 -3.447 1.00 1.00 H new ATOM 0 HA GLU A 31 16.216 -13.958 -4.920 1.00 1.00 H new ATOM 0 HB2 GLU A 31 16.123 -15.867 -6.171 1.00 1.00 H new ATOM 0 HB3 GLU A 31 17.735 -16.020 -5.503 1.00 1.00 H new ATOM 0 HG2 GLU A 31 16.824 -17.463 -3.662 1.00 1.00 H new ATOM 0 HG3 GLU A 31 15.221 -17.326 -4.358 1.00 1.00 H new ATOM 501 N PHE A 32 15.379 -15.542 -2.186 1.00 1.00 N ATOM 502 CA PHE A 32 14.290 -15.837 -1.271 1.00 1.00 C ATOM 503 C PHE A 32 13.671 -14.527 -0.781 1.00 1.00 C ATOM 504 O PHE A 32 12.435 -14.429 -0.763 1.00 1.00 O ATOM 505 CB PHE A 32 14.832 -16.662 -0.087 1.00 1.00 C ATOM 506 CG PHE A 32 14.183 -16.349 1.255 1.00 1.00 C ATOM 507 CD1 PHE A 32 14.681 -15.299 2.062 1.00 1.00 C ATOM 508 CD2 PHE A 32 13.081 -17.112 1.705 1.00 1.00 C ATOM 509 CE1 PHE A 32 14.080 -15.014 3.306 1.00 1.00 C ATOM 510 CE2 PHE A 32 12.481 -16.827 2.950 1.00 1.00 C ATOM 511 CZ PHE A 32 12.980 -15.778 3.750 1.00 1.00 C ATOM 0 H PHE A 32 16.308 -15.693 -1.793 1.00 1.00 H new ATOM 0 HA PHE A 32 13.519 -16.417 -1.778 1.00 1.00 H new ATOM 0 HB2 PHE A 32 14.692 -17.721 -0.305 1.00 1.00 H new ATOM 0 HB3 PHE A 32 15.906 -16.493 -0.005 1.00 1.00 H new ATOM 0 HD1 PHE A 32 15.524 -14.714 1.725 1.00 1.00 H new ATOM 0 HD2 PHE A 32 12.697 -17.916 1.094 1.00 1.00 H new ATOM 0 HE1 PHE A 32 14.462 -14.211 3.919 1.00 1.00 H new ATOM 0 HE2 PHE A 32 11.640 -17.412 3.290 1.00 1.00 H new ATOM 0 HZ PHE A 32 12.520 -15.560 4.702 1.00 1.00 H new ATOM 521 N ILE A 33 14.527 -13.561 -0.400 1.00 1.00 N ATOM 522 CA ILE A 33 14.067 -12.271 0.084 1.00 1.00 C ATOM 523 C ILE A 33 13.370 -11.523 -1.054 1.00 1.00 C ATOM 524 O ILE A 33 12.247 -11.042 -0.843 1.00 1.00 O ATOM 525 CB ILE A 33 15.223 -11.492 0.714 1.00 1.00 C ATOM 526 CG1 ILE A 33 15.291 -11.737 2.223 1.00 1.00 C ATOM 527 CG2 ILE A 33 15.127 -10.002 0.379 1.00 1.00 C ATOM 528 CD1 ILE A 33 16.741 -11.866 2.693 1.00 1.00 C ATOM 0 H ILE A 33 15.542 -13.662 -0.423 1.00 1.00 H new ATOM 0 HA ILE A 33 13.331 -12.402 0.877 1.00 1.00 H new ATOM 0 HB ILE A 33 16.156 -11.859 0.286 1.00 1.00 H new ATOM 0 HG12 ILE A 33 14.806 -10.916 2.751 1.00 1.00 H new ATOM 0 HG13 ILE A 33 14.742 -12.645 2.473 1.00 1.00 H new ATOM 0 HG21 ILE A 33 15.961 -9.471 0.839 1.00 1.00 H new ATOM 0 HG22 ILE A 33 15.164 -9.869 -0.702 1.00 1.00 H new ATOM 0 HG23 ILE A 33 14.188 -9.603 0.761 1.00 1.00 H new ATOM 0 HD11 ILE A 33 16.761 -12.040 3.769 1.00 1.00 H new ATOM 0 HD12 ILE A 33 17.216 -12.703 2.182 1.00 1.00 H new ATOM 0 HD13 ILE A 33 17.281 -10.947 2.464 1.00 1.00 H new ATOM 540 N SER A 34 14.037 -11.442 -2.219 1.00 1.00 N ATOM 541 CA SER A 34 13.485 -10.759 -3.377 1.00 1.00 C ATOM 542 C SER A 34 12.129 -11.374 -3.728 1.00 1.00 C ATOM 543 O SER A 34 11.318 -10.688 -4.366 1.00 1.00 O ATOM 544 CB SER A 34 14.431 -10.838 -4.577 1.00 1.00 C ATOM 545 OG SER A 34 14.538 -12.165 -5.086 1.00 1.00 O ATOM 0 H SER A 34 14.961 -11.846 -2.372 1.00 1.00 H new ATOM 0 HA SER A 34 13.358 -9.705 -3.129 1.00 1.00 H new ATOM 0 HB2 SER A 34 14.073 -10.175 -5.365 1.00 1.00 H new ATOM 0 HB3 SER A 34 15.418 -10.481 -4.284 1.00 1.00 H new ATOM 0 HG SER A 34 14.253 -12.803 -4.399 1.00 1.00 H new ATOM 551 N ASN A 35 11.914 -12.635 -3.312 1.00 1.00 N ATOM 552 CA ASN A 35 10.668 -13.333 -3.581 1.00 1.00 C ATOM 553 C ASN A 35 9.578 -12.798 -2.651 1.00 1.00 C ATOM 554 O ASN A 35 8.508 -12.421 -3.151 1.00 1.00 O ATOM 555 CB ASN A 35 10.812 -14.835 -3.326 1.00 1.00 C ATOM 556 CG ASN A 35 10.787 -15.619 -4.640 1.00 1.00 C ATOM 557 OD1 ASN A 35 9.776 -15.716 -5.316 1.00 1.00 O ATOM 558 ND2 ASN A 35 11.953 -16.170 -4.963 1.00 1.00 N ATOM 0 H ASN A 35 12.596 -13.183 -2.788 1.00 1.00 H new ATOM 0 HA ASN A 35 10.408 -13.168 -4.627 1.00 1.00 H new ATOM 0 HB2 ASN A 35 11.746 -15.030 -2.800 1.00 1.00 H new ATOM 0 HB3 ASN A 35 10.004 -15.177 -2.679 1.00 1.00 H new ATOM 0 HD21 ASN A 35 12.040 -16.713 -5.822 1.00 1.00 H new ATOM 0 HD22 ASN A 35 12.761 -16.050 -4.352 1.00 1.00 H new ATOM 565 N ARG A 36 9.865 -12.775 -1.337 1.00 1.00 N ATOM 566 CA ARG A 36 8.916 -12.290 -0.350 1.00 1.00 C ATOM 567 C ARG A 36 8.870 -10.761 -0.400 1.00 1.00 C ATOM 568 O ARG A 36 7.765 -10.207 -0.495 1.00 1.00 O ATOM 569 CB ARG A 36 9.296 -12.736 1.064 1.00 1.00 C ATOM 570 CG ARG A 36 9.186 -14.255 1.208 1.00 1.00 C ATOM 571 CD ARG A 36 7.734 -14.681 1.432 1.00 1.00 C ATOM 572 NE ARG A 36 7.681 -15.828 2.365 1.00 1.00 N ATOM 573 CZ ARG A 36 6.569 -16.218 3.023 1.00 1.00 C ATOM 574 NH1 ARG A 36 5.430 -15.538 2.834 1.00 1.00 N ATOM 575 NH2 ARG A 36 6.603 -17.270 3.853 1.00 1.00 N ATOM 0 H ARG A 36 10.752 -13.090 -0.945 1.00 1.00 H new ATOM 0 HA ARG A 36 7.938 -12.709 -0.587 1.00 1.00 H new ATOM 0 HB2 ARG A 36 10.315 -12.419 1.288 1.00 1.00 H new ATOM 0 HB3 ARG A 36 8.644 -12.250 1.790 1.00 1.00 H new ATOM 0 HG2 ARG A 36 9.576 -14.738 0.312 1.00 1.00 H new ATOM 0 HG3 ARG A 36 9.800 -14.590 2.044 1.00 1.00 H new ATOM 0 HD2 ARG A 36 7.160 -13.847 1.835 1.00 1.00 H new ATOM 0 HD3 ARG A 36 7.276 -14.953 0.481 1.00 1.00 H new ATOM 0 HE ARG A 36 8.539 -16.357 2.521 1.00 1.00 H new ATOM 0 HH11 ARG A 36 5.412 -14.739 2.201 1.00 1.00 H new ATOM 0 HH12 ARG A 36 4.581 -15.820 3.324 1.00 1.00 H new ATOM 0 HH21 ARG A 36 7.474 -17.783 3.991 1.00 1.00 H new ATOM 0 HH22 ARG A 36 5.758 -17.558 4.346 1.00 1.00 H new ATOM 589 N PHE A 37 10.051 -10.121 -0.336 1.00 1.00 N ATOM 590 CA PHE A 37 10.144 -8.672 -0.374 1.00 1.00 C ATOM 591 C PHE A 37 10.888 -8.246 -1.641 1.00 1.00 C ATOM 592 O PHE A 37 12.091 -7.962 -1.552 1.00 1.00 O ATOM 593 CB PHE A 37 10.882 -8.177 0.885 1.00 1.00 C ATOM 594 CG PHE A 37 10.888 -9.163 2.046 1.00 1.00 C ATOM 595 CD1 PHE A 37 11.778 -10.262 2.046 1.00 1.00 C ATOM 596 CD2 PHE A 37 9.997 -8.986 3.130 1.00 1.00 C ATOM 597 CE1 PHE A 37 11.778 -11.176 3.121 1.00 1.00 C ATOM 598 CE2 PHE A 37 9.997 -9.901 4.205 1.00 1.00 C ATOM 599 CZ PHE A 37 10.887 -10.995 4.201 1.00 1.00 C ATOM 0 H PHE A 37 10.950 -10.596 -0.258 1.00 1.00 H new ATOM 0 HA PHE A 37 9.147 -8.232 -0.391 1.00 1.00 H new ATOM 0 HB2 PHE A 37 11.913 -7.944 0.618 1.00 1.00 H new ATOM 0 HB3 PHE A 37 10.421 -7.247 1.218 1.00 1.00 H new ATOM 0 HD1 PHE A 37 12.460 -10.402 1.220 1.00 1.00 H new ATOM 0 HD2 PHE A 37 9.315 -8.149 3.135 1.00 1.00 H new ATOM 0 HE1 PHE A 37 12.459 -12.014 3.118 1.00 1.00 H new ATOM 0 HE2 PHE A 37 9.315 -9.763 5.031 1.00 1.00 H new ATOM 0 HZ PHE A 37 10.887 -11.694 5.024 1.00 1.00 H new ATOM 609 N PRO A 38 10.170 -8.210 -2.778 1.00 1.00 N ATOM 610 CA PRO A 38 10.724 -7.828 -4.065 1.00 1.00 C ATOM 611 C PRO A 38 10.933 -6.314 -4.144 1.00 1.00 C ATOM 612 O PRO A 38 11.896 -5.886 -4.797 1.00 1.00 O ATOM 613 CB PRO A 38 9.727 -8.344 -5.091 1.00 1.00 C ATOM 614 CG PRO A 38 8.433 -8.583 -4.331 1.00 1.00 C ATOM 615 CD PRO A 38 8.752 -8.553 -2.846 1.00 1.00 C ATOM 0 HA PRO A 38 11.712 -8.253 -4.241 1.00 1.00 H new ATOM 0 HB2 PRO A 38 9.581 -7.620 -5.892 1.00 1.00 H new ATOM 0 HB3 PRO A 38 10.084 -9.264 -5.554 1.00 1.00 H new ATOM 0 HG2 PRO A 38 7.698 -7.817 -4.579 1.00 1.00 H new ATOM 0 HG3 PRO A 38 7.999 -9.544 -4.609 1.00 1.00 H new ATOM 0 HD2 PRO A 38 8.141 -7.816 -2.325 1.00 1.00 H new ATOM 0 HD3 PRO A 38 8.555 -9.518 -2.379 1.00 1.00 H new ATOM 623 N TYR A 39 10.042 -5.548 -3.490 1.00 1.00 N ATOM 624 CA TYR A 39 10.183 -4.103 -3.529 1.00 1.00 C ATOM 625 C TYR A 39 11.323 -3.680 -2.600 1.00 1.00 C ATOM 626 O TYR A 39 11.900 -2.609 -2.837 1.00 1.00 O ATOM 627 CB TYR A 39 8.852 -3.430 -3.146 1.00 1.00 C ATOM 628 CG TYR A 39 7.762 -3.540 -4.203 1.00 1.00 C ATOM 629 CD1 TYR A 39 7.464 -4.789 -4.797 1.00 1.00 C ATOM 630 CD2 TYR A 39 7.044 -2.389 -4.602 1.00 1.00 C ATOM 631 CE1 TYR A 39 6.455 -4.885 -5.778 1.00 1.00 C ATOM 632 CE2 TYR A 39 6.035 -2.486 -5.583 1.00 1.00 C ATOM 633 CZ TYR A 39 5.739 -3.734 -6.172 1.00 1.00 C ATOM 634 OH TYR A 39 4.760 -3.823 -7.121 1.00 1.00 O ATOM 0 H TYR A 39 9.250 -5.898 -2.951 1.00 1.00 H new ATOM 0 HA TYR A 39 10.431 -3.781 -4.540 1.00 1.00 H new ATOM 0 HB2 TYR A 39 8.488 -3.874 -2.219 1.00 1.00 H new ATOM 0 HB3 TYR A 39 9.038 -2.375 -2.942 1.00 1.00 H new ATOM 0 HD1 TYR A 39 8.011 -5.671 -4.499 1.00 1.00 H new ATOM 0 HD2 TYR A 39 7.269 -1.432 -4.154 1.00 1.00 H new ATOM 0 HE1 TYR A 39 6.230 -5.840 -6.228 1.00 1.00 H new ATOM 0 HE2 TYR A 39 5.488 -1.604 -5.884 1.00 1.00 H new ATOM 0 HH TYR A 39 4.369 -2.937 -7.271 1.00 1.00 H new ATOM 644 N TYR A 40 11.615 -4.504 -1.578 1.00 1.00 N ATOM 645 CA TYR A 40 12.679 -4.145 -0.656 1.00 1.00 C ATOM 646 C TYR A 40 14.003 -4.067 -1.418 1.00 1.00 C ATOM 647 O TYR A 40 14.689 -3.042 -1.290 1.00 1.00 O ATOM 648 CB TYR A 40 12.742 -5.159 0.501 1.00 1.00 C ATOM 649 CG TYR A 40 13.141 -4.562 1.843 1.00 1.00 C ATOM 650 CD1 TYR A 40 14.194 -3.620 1.913 1.00 1.00 C ATOM 651 CD2 TYR A 40 12.462 -4.938 3.024 1.00 1.00 C ATOM 652 CE1 TYR A 40 14.566 -3.061 3.154 1.00 1.00 C ATOM 653 CE2 TYR A 40 12.833 -4.378 4.265 1.00 1.00 C ATOM 654 CZ TYR A 40 13.887 -3.440 4.332 1.00 1.00 C ATOM 655 OH TYR A 40 14.250 -2.898 5.531 1.00 1.00 O ATOM 0 H TYR A 40 11.144 -5.387 -1.383 1.00 1.00 H new ATOM 0 HA TYR A 40 12.480 -3.166 -0.219 1.00 1.00 H new ATOM 0 HB2 TYR A 40 11.766 -5.634 0.605 1.00 1.00 H new ATOM 0 HB3 TYR A 40 13.452 -5.944 0.241 1.00 1.00 H new ATOM 0 HD1 TYR A 40 14.715 -3.328 1.013 1.00 1.00 H new ATOM 0 HD2 TYR A 40 11.657 -5.656 2.977 1.00 1.00 H new ATOM 0 HE1 TYR A 40 15.371 -2.343 3.203 1.00 1.00 H new ATOM 0 HE2 TYR A 40 12.310 -4.667 5.165 1.00 1.00 H new ATOM 0 HH TYR A 40 13.682 -3.264 6.241 1.00 1.00 H new ATOM 665 N ARG A 41 14.336 -5.129 -2.174 1.00 1.00 N ATOM 666 CA ARG A 41 15.573 -5.175 -2.935 1.00 1.00 C ATOM 667 C ARG A 41 15.455 -4.250 -4.149 1.00 1.00 C ATOM 668 O ARG A 41 16.486 -3.725 -4.593 1.00 1.00 O ATOM 669 CB ARG A 41 15.889 -6.594 -3.412 1.00 1.00 C ATOM 670 CG ARG A 41 14.884 -7.053 -4.470 1.00 1.00 C ATOM 671 CD ARG A 41 15.395 -6.750 -5.880 1.00 1.00 C ATOM 672 NE ARG A 41 14.656 -7.563 -6.872 1.00 1.00 N ATOM 673 CZ ARG A 41 14.943 -8.850 -7.160 1.00 1.00 C ATOM 674 NH1 ARG A 41 15.955 -9.449 -6.519 1.00 1.00 N ATOM 675 NH2 ARG A 41 14.225 -9.519 -8.073 1.00 1.00 N ATOM 0 H ARG A 41 13.756 -5.963 -2.267 1.00 1.00 H new ATOM 0 HA ARG A 41 16.383 -4.848 -2.283 1.00 1.00 H new ATOM 0 HB2 ARG A 41 16.897 -6.627 -3.825 1.00 1.00 H new ATOM 0 HB3 ARG A 41 15.869 -7.279 -2.565 1.00 1.00 H new ATOM 0 HG2 ARG A 41 14.705 -8.123 -4.366 1.00 1.00 H new ATOM 0 HG3 ARG A 41 13.929 -6.553 -4.310 1.00 1.00 H new ATOM 0 HD2 ARG A 41 15.270 -5.690 -6.101 1.00 1.00 H new ATOM 0 HD3 ARG A 41 16.462 -6.965 -5.943 1.00 1.00 H new ATOM 0 HE ARG A 41 13.881 -7.123 -7.369 1.00 1.00 H new ATOM 0 HH11 ARG A 41 16.496 -8.933 -5.825 1.00 1.00 H new ATOM 0 HH12 ARG A 41 16.185 -10.421 -6.725 1.00 1.00 H new ATOM 0 HH21 ARG A 41 13.455 -9.056 -8.556 1.00 1.00 H new ATOM 0 HH22 ARG A 41 14.448 -10.491 -8.285 1.00 1.00 H new ATOM 689 N GLU A 42 14.220 -4.073 -4.652 1.00 1.00 N ATOM 690 CA GLU A 42 13.973 -3.220 -5.802 1.00 1.00 C ATOM 691 C GLU A 42 13.920 -1.760 -5.347 1.00 1.00 C ATOM 692 O GLU A 42 13.977 -0.871 -6.210 1.00 1.00 O ATOM 693 CB GLU A 42 12.686 -3.615 -6.528 1.00 1.00 C ATOM 694 CG GLU A 42 12.944 -4.742 -7.530 1.00 1.00 C ATOM 695 CD GLU A 42 12.557 -4.316 -8.947 1.00 1.00 C ATOM 696 OE1 GLU A 42 11.803 -3.347 -9.119 1.00 1.00 O ATOM 697 OE2 GLU A 42 13.070 -5.031 -9.891 1.00 1.00 O ATOM 0 H GLU A 42 13.384 -4.515 -4.271 1.00 1.00 H new ATOM 0 HA GLU A 42 14.790 -3.346 -6.513 1.00 1.00 H new ATOM 0 HB2 GLU A 42 11.938 -3.934 -5.802 1.00 1.00 H new ATOM 0 HB3 GLU A 42 12.277 -2.748 -7.048 1.00 1.00 H new ATOM 0 HG2 GLU A 42 13.997 -5.021 -7.505 1.00 1.00 H new ATOM 0 HG3 GLU A 42 12.373 -5.626 -7.244 1.00 1.00 H new ATOM 704 N LYS A 43 13.814 -1.545 -4.024 1.00 1.00 N ATOM 705 CA LYS A 43 13.755 -0.205 -3.464 1.00 1.00 C ATOM 706 C LYS A 43 14.915 -0.014 -2.485 1.00 1.00 C ATOM 707 O LYS A 43 14.911 0.987 -1.753 1.00 1.00 O ATOM 708 CB LYS A 43 12.380 0.056 -2.846 1.00 1.00 C ATOM 709 CG LYS A 43 12.314 -0.470 -1.411 1.00 1.00 C ATOM 710 CD LYS A 43 12.229 0.682 -0.407 1.00 1.00 C ATOM 711 CE LYS A 43 10.773 1.044 -0.112 1.00 1.00 C ATOM 712 NZ LYS A 43 10.683 2.404 0.447 1.00 1.00 N ATOM 0 H LYS A 43 13.768 -2.291 -3.330 1.00 1.00 H new ATOM 0 HA LYS A 43 13.874 0.542 -4.249 1.00 1.00 H new ATOM 0 HB2 LYS A 43 12.171 1.126 -2.855 1.00 1.00 H new ATOM 0 HB3 LYS A 43 11.609 -0.425 -3.449 1.00 1.00 H new ATOM 0 HG2 LYS A 43 11.446 -1.120 -1.298 1.00 1.00 H new ATOM 0 HG3 LYS A 43 13.196 -1.076 -1.201 1.00 1.00 H new ATOM 0 HD2 LYS A 43 12.732 0.401 0.518 1.00 1.00 H new ATOM 0 HD3 LYS A 43 12.751 1.553 -0.802 1.00 1.00 H new ATOM 0 HE2 LYS A 43 10.184 0.981 -1.027 1.00 1.00 H new ATOM 0 HE3 LYS A 43 10.349 0.327 0.591 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 9.688 2.634 0.642 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 11.229 2.453 1.331 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 11.069 3.086 -0.236 1.00 1.00 H new ATOM 726 N PHE A 44 15.870 -0.961 -2.491 1.00 1.00 N ATOM 727 CA PHE A 44 17.024 -0.897 -1.610 1.00 1.00 C ATOM 728 C PHE A 44 17.915 -2.116 -1.854 1.00 1.00 C ATOM 729 O PHE A 44 18.052 -2.940 -0.937 1.00 1.00 O ATOM 730 CB PHE A 44 16.543 -0.854 -0.146 1.00 1.00 C ATOM 731 CG PHE A 44 17.577 -0.341 0.847 1.00 1.00 C ATOM 732 CD1 PHE A 44 18.384 0.772 0.517 1.00 1.00 C ATOM 733 CD2 PHE A 44 17.733 -0.968 2.105 1.00 1.00 C ATOM 734 CE1 PHE A 44 19.340 1.253 1.437 1.00 1.00 C ATOM 735 CE2 PHE A 44 18.689 -0.486 3.024 1.00 1.00 C ATOM 736 CZ PHE A 44 19.493 0.624 2.691 1.00 1.00 C ATOM 0 H PHE A 44 15.855 -1.777 -3.102 1.00 1.00 H new ATOM 0 HA PHE A 44 17.604 0.003 -1.814 1.00 1.00 H new ATOM 0 HB2 PHE A 44 15.657 -0.222 -0.087 1.00 1.00 H new ATOM 0 HB3 PHE A 44 16.239 -1.857 0.152 1.00 1.00 H new ATOM 0 HD1 PHE A 44 18.269 1.255 -0.442 1.00 1.00 H new ATOM 0 HD2 PHE A 44 17.119 -1.818 2.363 1.00 1.00 H new ATOM 0 HE1 PHE A 44 19.955 2.103 1.181 1.00 1.00 H new ATOM 0 HE2 PHE A 44 18.805 -0.968 3.984 1.00 1.00 H new ATOM 0 HZ PHE A 44 20.225 0.992 3.395 1.00 1.00 H new ATOM 746 N PRO A 45 18.494 -2.207 -3.065 1.00 1.00 N ATOM 747 CA PRO A 45 19.367 -3.300 -3.457 1.00 1.00 C ATOM 748 C PRO A 45 20.743 -3.163 -2.803 1.00 1.00 C ATOM 749 O PRO A 45 21.499 -4.146 -2.808 1.00 1.00 O ATOM 750 CB PRO A 45 19.421 -3.235 -4.974 1.00 1.00 C ATOM 751 CG PRO A 45 18.957 -1.837 -5.349 1.00 1.00 C ATOM 752 CD PRO A 45 18.309 -1.217 -4.122 1.00 1.00 C ATOM 0 HA PRO A 45 19.000 -4.272 -3.126 1.00 1.00 H new ATOM 0 HB2 PRO A 45 20.432 -3.421 -5.337 1.00 1.00 H new ATOM 0 HB3 PRO A 45 18.777 -3.993 -5.420 1.00 1.00 H new ATOM 0 HG2 PRO A 45 19.800 -1.232 -5.683 1.00 1.00 H new ATOM 0 HG3 PRO A 45 18.248 -1.879 -6.175 1.00 1.00 H new ATOM 0 HD2 PRO A 45 18.779 -0.268 -3.863 1.00 1.00 H new ATOM 0 HD3 PRO A 45 17.252 -1.013 -4.293 1.00 1.00 H new ATOM 760 N ALA A 46 21.037 -1.967 -2.261 1.00 1.00 N ATOM 761 CA ALA A 46 22.310 -1.708 -1.610 1.00 1.00 C ATOM 762 C ALA A 46 22.369 -2.479 -0.290 1.00 1.00 C ATOM 763 O ALA A 46 23.454 -2.544 0.307 1.00 1.00 O ATOM 764 CB ALA A 46 22.410 -0.226 -1.246 1.00 1.00 C ATOM 0 H ALA A 46 20.400 -1.170 -2.267 1.00 1.00 H new ATOM 0 HA ALA A 46 23.111 -2.005 -2.287 1.00 1.00 H new ATOM 0 HB1 ALA A 46 23.366 -0.035 -0.758 1.00 1.00 H new ATOM 0 HB2 ALA A 46 22.338 0.377 -2.151 1.00 1.00 H new ATOM 0 HB3 ALA A 46 21.598 0.038 -0.569 1.00 1.00 H new ATOM 770 N TRP A 47 21.222 -3.040 0.132 1.00 1.00 N ATOM 771 CA TRP A 47 21.145 -3.798 1.369 1.00 1.00 C ATOM 772 C TRP A 47 21.468 -5.266 1.084 1.00 1.00 C ATOM 773 O TRP A 47 21.227 -6.105 1.964 1.00 1.00 O ATOM 774 CB TRP A 47 19.776 -3.604 2.026 1.00 1.00 C ATOM 775 CG TRP A 47 18.674 -4.487 1.439 1.00 1.00 C ATOM 776 CD1 TRP A 47 18.562 -4.943 0.184 1.00 1.00 C ATOM 777 CD2 TRP A 47 17.524 -5.006 2.140 1.00 1.00 C ATOM 778 NE1 TRP A 47 17.429 -5.715 0.025 1.00 1.00 N ATOM 779 CE2 TRP A 47 16.778 -5.755 1.252 1.00 1.00 C ATOM 780 CE3 TRP A 47 17.127 -4.849 3.480 1.00 1.00 C ATOM 781 CZ2 TRP A 47 15.589 -6.405 1.607 1.00 1.00 C ATOM 782 CZ3 TRP A 47 15.938 -5.505 3.818 1.00 1.00 C ATOM 783 CH2 TRP A 47 15.175 -6.262 2.936 1.00 1.00 C ATOM 0 H TRP A 47 20.339 -2.976 -0.375 1.00 1.00 H new ATOM 0 HA TRP A 47 21.884 -3.433 2.083 1.00 1.00 H new ATOM 0 HB2 TRP A 47 19.864 -3.811 3.093 1.00 1.00 H new ATOM 0 HB3 TRP A 47 19.482 -2.559 1.927 1.00 1.00 H new ATOM 0 HD1 TRP A 47 19.270 -4.733 -0.604 1.00 1.00 H new ATOM 0 HE1 TRP A 47 17.125 -6.172 -0.835 1.00 1.00 H new ATOM 0 HE3 TRP A 47 17.695 -4.268 4.192 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 15.022 -6.985 0.894 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 15.588 -5.417 4.836 1.00 1.00 H new ATOM 0 HH2 TRP A 47 14.267 -6.738 3.275 1.00 1.00 H new ATOM 794 N GLN A 48 21.997 -5.543 -0.121 1.00 1.00 N ATOM 795 CA GLN A 48 22.349 -6.896 -0.516 1.00 1.00 C ATOM 796 C GLN A 48 23.463 -7.415 0.395 1.00 1.00 C ATOM 797 O GLN A 48 23.327 -8.533 0.915 1.00 1.00 O ATOM 798 CB GLN A 48 22.767 -6.963 -1.986 1.00 1.00 C ATOM 799 CG GLN A 48 22.744 -8.404 -2.498 1.00 1.00 C ATOM 800 CD GLN A 48 23.964 -8.694 -3.375 1.00 1.00 C ATOM 801 OE1 GLN A 48 23.972 -8.455 -4.571 1.00 1.00 O ATOM 802 NE2 GLN A 48 24.991 -9.222 -2.715 1.00 1.00 N ATOM 0 H GLN A 48 22.186 -4.837 -0.832 1.00 1.00 H new ATOM 0 HA GLN A 48 21.470 -7.531 -0.408 1.00 1.00 H new ATOM 0 HB2 GLN A 48 22.096 -6.349 -2.587 1.00 1.00 H new ATOM 0 HB3 GLN A 48 23.768 -6.548 -2.102 1.00 1.00 H new ATOM 0 HG2 GLN A 48 22.726 -9.093 -1.654 1.00 1.00 H new ATOM 0 HG3 GLN A 48 21.832 -8.576 -3.069 1.00 1.00 H new ATOM 0 HE21 GLN A 48 24.918 -9.397 -1.713 1.00 1.00 H new ATOM 0 HE22 GLN A 48 25.852 -9.452 -3.211 1.00 1.00 H new ATOM 811 N ASN A 49 24.525 -6.608 0.568 1.00 1.00 N ATOM 812 CA ASN A 49 25.649 -6.984 1.408 1.00 1.00 C ATOM 813 C ASN A 49 25.312 -6.681 2.869 1.00 1.00 C ATOM 814 O ASN A 49 25.715 -7.463 3.742 1.00 1.00 O ATOM 815 CB ASN A 49 26.903 -6.189 1.038 1.00 1.00 C ATOM 816 CG ASN A 49 28.110 -6.657 1.855 1.00 1.00 C ATOM 817 OD1 ASN A 49 28.218 -6.413 3.045 1.00 1.00 O ATOM 818 ND2 ASN A 49 29.008 -7.340 1.151 1.00 1.00 N ATOM 0 H ASN A 49 24.617 -5.691 0.131 1.00 1.00 H new ATOM 0 HA ASN A 49 25.839 -8.047 1.261 1.00 1.00 H new ATOM 0 HB2 ASN A 49 27.112 -6.306 -0.025 1.00 1.00 H new ATOM 0 HB3 ASN A 49 26.730 -5.127 1.214 1.00 1.00 H new ATOM 0 HD21 ASN A 49 29.849 -7.695 1.605 1.00 1.00 H new ATOM 0 HD22 ASN A 49 28.855 -7.509 0.157 1.00 1.00 H new ATOM 825 N SER A 50 24.591 -5.569 3.103 1.00 1.00 N ATOM 826 CA SER A 50 24.206 -5.170 4.446 1.00 1.00 C ATOM 827 C SER A 50 23.411 -6.301 5.101 1.00 1.00 C ATOM 828 O SER A 50 23.796 -6.734 6.197 1.00 1.00 O ATOM 829 CB SER A 50 23.381 -3.881 4.431 1.00 1.00 C ATOM 830 OG SER A 50 22.016 -4.124 4.103 1.00 1.00 O ATOM 0 H SER A 50 24.268 -4.938 2.370 1.00 1.00 H new ATOM 0 HA SER A 50 25.110 -4.974 5.022 1.00 1.00 H new ATOM 0 HB2 SER A 50 23.439 -3.402 5.408 1.00 1.00 H new ATOM 0 HB3 SER A 50 23.809 -3.185 3.709 1.00 1.00 H new ATOM 0 HG SER A 50 21.450 -3.456 4.543 1.00 1.00 H new ATOM 836 N ILE A 51 22.335 -6.749 4.429 1.00 1.00 N ATOM 837 CA ILE A 51 21.497 -7.819 4.943 1.00 1.00 C ATOM 838 C ILE A 51 22.366 -9.041 5.246 1.00 1.00 C ATOM 839 O ILE A 51 22.016 -9.801 6.161 1.00 1.00 O ATOM 840 CB ILE A 51 20.345 -8.108 3.978 1.00 1.00 C ATOM 841 CG1 ILE A 51 19.194 -8.817 4.695 1.00 1.00 C ATOM 842 CG2 ILE A 51 20.834 -8.895 2.761 1.00 1.00 C ATOM 843 CD1 ILE A 51 17.849 -8.461 4.057 1.00 1.00 C ATOM 0 H ILE A 51 22.035 -6.378 3.528 1.00 1.00 H new ATOM 0 HA ILE A 51 21.029 -7.519 5.881 1.00 1.00 H new ATOM 0 HB ILE A 51 19.959 -7.157 3.612 1.00 1.00 H new ATOM 0 HG12 ILE A 51 19.345 -9.896 4.655 1.00 1.00 H new ATOM 0 HG13 ILE A 51 19.187 -8.535 5.748 1.00 1.00 H new ATOM 0 HG21 ILE A 51 19.996 -9.087 2.091 1.00 1.00 H new ATOM 0 HG22 ILE A 51 21.594 -8.317 2.235 1.00 1.00 H new ATOM 0 HG23 ILE A 51 21.262 -9.843 3.088 1.00 1.00 H new ATOM 0 HD11 ILE A 51 17.048 -8.978 4.585 1.00 1.00 H new ATOM 0 HD12 ILE A 51 17.690 -7.385 4.120 1.00 1.00 H new ATOM 0 HD13 ILE A 51 17.850 -8.767 3.011 1.00 1.00 H new ATOM 855 N ARG A 52 23.463 -9.204 4.486 1.00 1.00 N ATOM 856 CA ARG A 52 24.371 -10.323 4.672 1.00 1.00 C ATOM 857 C ARG A 52 25.137 -10.139 5.984 1.00 1.00 C ATOM 858 O ARG A 52 25.336 -11.136 6.695 1.00 1.00 O ATOM 859 CB ARG A 52 25.369 -10.438 3.519 1.00 1.00 C ATOM 860 CG ARG A 52 25.089 -11.681 2.672 1.00 1.00 C ATOM 861 CD ARG A 52 26.380 -12.237 2.069 1.00 1.00 C ATOM 862 NE ARG A 52 26.563 -11.716 0.696 1.00 1.00 N ATOM 863 CZ ARG A 52 27.725 -11.780 0.011 1.00 1.00 C ATOM 864 NH1 ARG A 52 28.792 -12.345 0.592 1.00 1.00 N ATOM 865 NH2 ARG A 52 27.809 -11.285 -1.232 1.00 1.00 N ATOM 0 H ARG A 52 23.733 -8.566 3.737 1.00 1.00 H new ATOM 0 HA ARG A 52 23.778 -11.237 4.700 1.00 1.00 H new ATOM 0 HB2 ARG A 52 25.311 -9.547 2.894 1.00 1.00 H new ATOM 0 HB3 ARG A 52 26.383 -10.485 3.915 1.00 1.00 H new ATOM 0 HG2 ARG A 52 24.613 -12.445 3.287 1.00 1.00 H new ATOM 0 HG3 ARG A 52 24.389 -11.432 1.874 1.00 1.00 H new ATOM 0 HD2 ARG A 52 27.231 -11.957 2.690 1.00 1.00 H new ATOM 0 HD3 ARG A 52 26.343 -13.326 2.052 1.00 1.00 H new ATOM 0 HE ARG A 52 25.762 -11.282 0.239 1.00 1.00 H new ATOM 0 HH11 ARG A 52 28.719 -12.719 1.538 1.00 1.00 H new ATOM 0 HH12 ARG A 52 29.677 -12.401 0.088 1.00 1.00 H new ATOM 0 HH21 ARG A 52 26.992 -10.856 -1.667 1.00 1.00 H new ATOM 0 HH22 ARG A 52 28.690 -11.337 -1.743 1.00 1.00 H new ATOM 879 N HIS A 53 25.543 -8.891 6.275 1.00 1.00 N ATOM 880 CA HIS A 53 26.279 -8.584 7.489 1.00 1.00 C ATOM 881 C HIS A 53 25.413 -8.919 8.704 1.00 1.00 C ATOM 882 O HIS A 53 25.833 -9.757 9.515 1.00 1.00 O ATOM 883 CB HIS A 53 26.759 -7.131 7.486 1.00 1.00 C ATOM 884 CG HIS A 53 28.180 -6.954 7.005 1.00 1.00 C ATOM 885 ND1 HIS A 53 28.997 -5.927 7.443 1.00 1.00 N ATOM 886 CD2 HIS A 53 28.919 -7.685 6.121 1.00 1.00 C ATOM 887 CE1 HIS A 53 30.173 -6.043 6.843 1.00 1.00 C ATOM 888 NE2 HIS A 53 30.122 -7.133 6.024 1.00 1.00 N ATOM 0 H HIS A 53 25.367 -8.084 5.676 1.00 1.00 H new ATOM 0 HA HIS A 53 27.178 -9.198 7.540 1.00 1.00 H new ATOM 0 HB2 HIS A 53 26.096 -6.541 6.853 1.00 1.00 H new ATOM 0 HB3 HIS A 53 26.676 -6.730 8.496 1.00 1.00 H new ATOM 0 HD2 HIS A 53 28.582 -8.563 5.590 1.00 1.00 H new ATOM 0 HE1 HIS A 53 31.022 -5.390 6.979 1.00 1.00 H new ATOM 0 HE2 HIS A 53 30.883 -7.469 5.434 1.00 1.00 H new ATOM 896 N ASN A 54 24.239 -8.270 8.805 1.00 1.00 N ATOM 897 CA ASN A 54 23.325 -8.498 9.911 1.00 1.00 C ATOM 898 C ASN A 54 22.872 -9.959 9.899 1.00 1.00 C ATOM 899 O ASN A 54 22.516 -10.475 10.969 1.00 1.00 O ATOM 900 CB ASN A 54 22.081 -7.616 9.788 1.00 1.00 C ATOM 901 CG ASN A 54 22.463 -6.137 9.699 1.00 1.00 C ATOM 902 OD1 ASN A 54 22.623 -5.694 8.455 1.00 1.00 O flip ATOM 903 ND2 ASN A 54 22.603 -5.445 10.693 1.00 1.00 N flip ATOM 0 H ASN A 54 23.911 -7.584 8.126 1.00 1.00 H new ATOM 0 HA ASN A 54 23.848 -8.257 10.836 1.00 1.00 H new ATOM 0 HB2 ASN A 54 21.514 -7.903 8.902 1.00 1.00 H new ATOM 0 HB3 ASN A 54 21.431 -7.776 10.648 1.00 1.00 H new ATOM 0 HD21 ASN A 54 22.465 -5.849 11.619 1.00 1.00 H new ATOM 0 HD22 ASN A 54 22.858 -4.462 10.598 1.00 1.00 H new ATOM 910 N LEU A 55 22.893 -10.587 8.709 1.00 1.00 N ATOM 911 CA LEU A 55 22.487 -11.974 8.563 1.00 1.00 C ATOM 912 C LEU A 55 23.424 -12.864 9.383 1.00 1.00 C ATOM 913 O LEU A 55 22.923 -13.705 10.143 1.00 1.00 O ATOM 914 CB LEU A 55 22.413 -12.358 7.084 1.00 1.00 C ATOM 915 CG LEU A 55 22.548 -13.849 6.770 1.00 1.00 C ATOM 916 CD1 LEU A 55 21.178 -14.531 6.749 1.00 1.00 C ATOM 917 CD2 LEU A 55 23.316 -14.068 5.465 1.00 1.00 C ATOM 0 H LEU A 55 23.190 -10.144 7.839 1.00 1.00 H new ATOM 0 HA LEU A 55 21.481 -12.120 8.957 1.00 1.00 H new ATOM 0 HB2 LEU A 55 21.461 -12.008 6.686 1.00 1.00 H new ATOM 0 HB3 LEU A 55 23.198 -11.822 6.550 1.00 1.00 H new ATOM 0 HG LEU A 55 23.128 -14.314 7.567 1.00 1.00 H new ATOM 0 HD11 LEU A 55 21.302 -15.590 6.523 1.00 1.00 H new ATOM 0 HD12 LEU A 55 20.702 -14.421 7.723 1.00 1.00 H new ATOM 0 HD13 LEU A 55 20.553 -14.068 5.985 1.00 1.00 H new ATOM 0 HD21 LEU A 55 23.397 -15.137 5.266 1.00 1.00 H new ATOM 0 HD22 LEU A 55 22.785 -13.585 4.645 1.00 1.00 H new ATOM 0 HD23 LEU A 55 24.314 -13.638 5.554 1.00 1.00 H new ATOM 929 N SER A 56 24.744 -12.665 9.215 1.00 1.00 N ATOM 930 CA SER A 56 25.738 -13.443 9.935 1.00 1.00 C ATOM 931 C SER A 56 25.955 -12.830 11.320 1.00 1.00 C ATOM 932 O SER A 56 26.502 -13.522 12.191 1.00 1.00 O ATOM 933 CB SER A 56 27.061 -13.507 9.169 1.00 1.00 C ATOM 934 OG SER A 56 28.176 -13.663 10.042 1.00 1.00 O ATOM 0 H SER A 56 25.136 -11.967 8.583 1.00 1.00 H new ATOM 0 HA SER A 56 25.370 -14.464 10.039 1.00 1.00 H new ATOM 0 HB2 SER A 56 27.033 -14.339 8.465 1.00 1.00 H new ATOM 0 HB3 SER A 56 27.185 -12.597 8.582 1.00 1.00 H new ATOM 0 HG SER A 56 29.001 -13.701 9.515 1.00 1.00 H new ATOM 940 N LEU A 57 25.529 -11.566 11.493 1.00 1.00 N ATOM 941 CA LEU A 57 25.675 -10.871 12.760 1.00 1.00 C ATOM 942 C LEU A 57 24.512 -11.245 13.680 1.00 1.00 C ATOM 943 O LEU A 57 24.657 -11.101 14.903 1.00 1.00 O ATOM 944 CB LEU A 57 25.818 -9.365 12.531 1.00 1.00 C ATOM 945 CG LEU A 57 27.228 -8.792 12.691 1.00 1.00 C ATOM 946 CD1 LEU A 57 28.087 -9.098 11.463 1.00 1.00 C ATOM 947 CD2 LEU A 57 27.180 -7.294 12.998 1.00 1.00 C ATOM 0 H LEU A 57 25.081 -11.014 10.762 1.00 1.00 H new ATOM 0 HA LEU A 57 26.591 -11.183 13.262 1.00 1.00 H new ATOM 0 HB2 LEU A 57 25.466 -9.136 11.525 1.00 1.00 H new ATOM 0 HB3 LEU A 57 25.156 -8.848 13.226 1.00 1.00 H new ATOM 0 HG LEU A 57 27.700 -9.280 13.544 1.00 1.00 H new ATOM 0 HD11 LEU A 57 29.084 -8.680 11.603 1.00 1.00 H new ATOM 0 HD12 LEU A 57 28.162 -10.177 11.331 1.00 1.00 H new ATOM 0 HD13 LEU A 57 27.629 -8.655 10.579 1.00 1.00 H new ATOM 0 HD21 LEU A 57 28.195 -6.912 13.107 1.00 1.00 H new ATOM 0 HD22 LEU A 57 26.681 -6.771 12.182 1.00 1.00 H new ATOM 0 HD23 LEU A 57 26.629 -7.130 13.924 1.00 1.00 H new ATOM 959 N ASN A 58 23.399 -11.711 13.085 1.00 1.00 N ATOM 960 CA ASN A 58 22.225 -12.102 13.846 1.00 1.00 C ATOM 961 C ASN A 58 22.359 -13.567 14.266 1.00 1.00 C ATOM 962 O ASN A 58 22.715 -13.818 15.427 1.00 1.00 O ATOM 963 CB ASN A 58 20.954 -11.965 13.006 1.00 1.00 C ATOM 964 CG ASN A 58 19.781 -12.698 13.662 1.00 1.00 C ATOM 965 OD1 ASN A 58 19.359 -12.386 14.763 1.00 1.00 O ATOM 966 ND2 ASN A 58 19.281 -13.686 12.926 1.00 1.00 N ATOM 0 H ASN A 58 23.300 -11.822 12.076 1.00 1.00 H new ATOM 0 HA ASN A 58 22.154 -11.449 14.716 1.00 1.00 H new ATOM 0 HB2 ASN A 58 20.706 -10.911 12.884 1.00 1.00 H new ATOM 0 HB3 ASN A 58 21.128 -12.369 12.009 1.00 1.00 H new ATOM 0 HD21 ASN A 58 18.496 -14.236 13.276 1.00 1.00 H new ATOM 0 HD22 ASN A 58 19.682 -13.894 12.012 1.00 1.00 H new ATOM 973 N ASP A 59 22.074 -14.490 13.330 1.00 1.00 N ATOM 974 CA ASP A 59 22.163 -15.915 13.601 1.00 1.00 C ATOM 975 C ASP A 59 23.577 -16.252 14.076 1.00 1.00 C ATOM 976 O ASP A 59 23.708 -16.901 15.125 1.00 1.00 O ATOM 977 CB ASP A 59 21.879 -16.734 12.341 1.00 1.00 C ATOM 978 CG ASP A 59 20.397 -16.955 12.033 1.00 1.00 C ATOM 979 OD1 ASP A 59 19.752 -17.847 12.604 1.00 1.00 O ATOM 980 OD2 ASP A 59 19.897 -16.154 11.153 1.00 1.00 O ATOM 0 H ASP A 59 21.780 -14.262 12.380 1.00 1.00 H new ATOM 0 HA ASP A 59 21.424 -16.160 14.364 1.00 1.00 H new ATOM 0 HB2 ASP A 59 22.341 -16.234 11.489 1.00 1.00 H new ATOM 0 HB3 ASP A 59 22.363 -17.706 12.441 1.00 1.00 H new ATOM 985 N CYS A 60 24.591 -15.814 13.309 1.00 1.00 N ATOM 986 CA CYS A 60 25.980 -16.068 13.650 1.00 1.00 C ATOM 987 C CYS A 60 26.361 -17.480 13.200 1.00 1.00 C ATOM 988 O CYS A 60 26.985 -18.202 13.991 1.00 1.00 O ATOM 989 CB CYS A 60 26.229 -15.859 15.145 1.00 1.00 C ATOM 990 SG CYS A 60 27.465 -14.587 15.542 1.00 1.00 S ATOM 0 H CYS A 60 24.462 -15.282 12.448 1.00 1.00 H new ATOM 0 HA CYS A 60 26.616 -15.354 13.126 1.00 1.00 H new ATOM 0 HB2 CYS A 60 25.286 -15.591 15.622 1.00 1.00 H new ATOM 0 HB3 CYS A 60 26.549 -16.805 15.581 1.00 1.00 H new ATOM 0 HG CYS A 60 27.593 -14.494 16.832 1.00 1.00 H new ATOM 996 N PHE A 61 25.985 -17.838 11.959 1.00 1.00 N ATOM 997 CA PHE A 61 26.286 -19.150 11.413 1.00 1.00 C ATOM 998 C PHE A 61 27.658 -19.115 10.737 1.00 1.00 C ATOM 999 O PHE A 61 28.303 -18.056 10.767 1.00 1.00 O ATOM 1000 CB PHE A 61 25.189 -19.543 10.404 1.00 1.00 C ATOM 1001 CG PHE A 61 24.317 -18.388 9.931 1.00 1.00 C ATOM 1002 CD1 PHE A 61 24.905 -17.243 9.344 1.00 1.00 C ATOM 1003 CD2 PHE A 61 22.913 -18.451 10.085 1.00 1.00 C ATOM 1004 CE1 PHE A 61 24.093 -16.172 8.912 1.00 1.00 C ATOM 1005 CE2 PHE A 61 22.103 -17.380 9.652 1.00 1.00 C ATOM 1006 CZ PHE A 61 22.693 -16.240 9.065 1.00 1.00 C ATOM 0 H PHE A 61 25.472 -17.227 11.323 1.00 1.00 H new ATOM 0 HA PHE A 61 26.310 -19.893 12.210 1.00 1.00 H new ATOM 0 HB2 PHE A 61 25.661 -20.003 9.536 1.00 1.00 H new ATOM 0 HB3 PHE A 61 24.550 -20.300 10.859 1.00 1.00 H new ATOM 0 HD1 PHE A 61 25.977 -17.188 9.226 1.00 1.00 H new ATOM 0 HD2 PHE A 61 22.459 -19.321 10.535 1.00 1.00 H new ATOM 0 HE1 PHE A 61 24.545 -15.299 8.464 1.00 1.00 H new ATOM 0 HE2 PHE A 61 21.031 -17.432 9.770 1.00 1.00 H new ATOM 0 HZ PHE A 61 22.073 -15.421 8.733 1.00 1.00 H new ATOM 1016 N VAL A 62 28.070 -20.253 10.151 1.00 1.00 N ATOM 1017 CA VAL A 62 29.353 -20.350 9.475 1.00 1.00 C ATOM 1018 C VAL A 62 29.123 -20.653 7.993 1.00 1.00 C ATOM 1019 O VAL A 62 28.405 -21.618 7.693 1.00 1.00 O ATOM 1020 CB VAL A 62 30.232 -21.393 10.169 1.00 1.00 C ATOM 1021 CG1 VAL A 62 31.517 -21.641 9.377 1.00 1.00 C ATOM 1022 CG2 VAL A 62 30.546 -20.976 11.607 1.00 1.00 C ATOM 0 H VAL A 62 27.524 -21.114 10.138 1.00 1.00 H new ATOM 0 HA VAL A 62 29.888 -19.402 9.533 1.00 1.00 H new ATOM 0 HB VAL A 62 29.675 -22.329 10.206 1.00 1.00 H new ATOM 0 HG11 VAL A 62 32.124 -22.386 9.892 1.00 1.00 H new ATOM 0 HG12 VAL A 62 31.266 -22.003 8.380 1.00 1.00 H new ATOM 0 HG13 VAL A 62 32.079 -20.710 9.294 1.00 1.00 H new ATOM 0 HG21 VAL A 62 31.172 -21.734 12.077 1.00 1.00 H new ATOM 0 HG22 VAL A 62 31.073 -20.022 11.602 1.00 1.00 H new ATOM 0 HG23 VAL A 62 29.617 -20.874 12.167 1.00 1.00 H new ATOM 1032 N LYS A 63 29.726 -19.836 7.111 1.00 1.00 N ATOM 1033 CA LYS A 63 29.586 -20.016 5.676 1.00 1.00 C ATOM 1034 C LYS A 63 30.855 -20.667 5.122 1.00 1.00 C ATOM 1035 O LYS A 63 31.869 -20.684 5.835 1.00 1.00 O ATOM 1036 CB LYS A 63 29.232 -18.688 5.002 1.00 1.00 C ATOM 1037 CG LYS A 63 30.022 -18.504 3.705 1.00 1.00 C ATOM 1038 CD LYS A 63 30.105 -17.026 3.319 1.00 1.00 C ATOM 1039 CE LYS A 63 29.481 -16.783 1.943 1.00 1.00 C ATOM 1040 NZ LYS A 63 30.327 -17.357 0.884 1.00 1.00 N ATOM 0 H LYS A 63 30.314 -19.047 7.379 1.00 1.00 H new ATOM 0 HA LYS A 63 28.759 -20.690 5.455 1.00 1.00 H new ATOM 0 HB2 LYS A 63 28.164 -18.658 4.789 1.00 1.00 H new ATOM 0 HB3 LYS A 63 29.445 -17.863 5.682 1.00 1.00 H new ATOM 0 HG2 LYS A 63 31.027 -18.909 3.826 1.00 1.00 H new ATOM 0 HG3 LYS A 63 29.546 -19.067 2.902 1.00 1.00 H new ATOM 0 HD2 LYS A 63 29.592 -16.422 4.067 1.00 1.00 H new ATOM 0 HD3 LYS A 63 31.147 -16.706 3.311 1.00 1.00 H new ATOM 0 HE2 LYS A 63 28.487 -17.229 1.904 1.00 1.00 H new ATOM 0 HE3 LYS A 63 29.357 -15.713 1.777 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 30.025 -16.987 -0.040 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 31.320 -17.097 1.054 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 30.234 -18.393 0.889 1.00 1.00 H new ATOM 1054 N ILE A 64 30.776 -21.183 3.882 1.00 1.00 N ATOM 1055 CA ILE A 64 31.910 -21.828 3.243 1.00 1.00 C ATOM 1056 C ILE A 64 32.344 -21.002 2.030 1.00 1.00 C ATOM 1057 O ILE A 64 31.923 -21.331 0.911 1.00 1.00 O ATOM 1058 CB ILE A 64 31.579 -23.284 2.908 1.00 1.00 C ATOM 1059 CG1 ILE A 64 30.336 -23.374 2.020 1.00 1.00 C ATOM 1060 CG2 ILE A 64 31.435 -24.120 4.182 1.00 1.00 C ATOM 1061 CD1 ILE A 64 30.636 -24.148 0.735 1.00 1.00 C ATOM 0 H ILE A 64 29.931 -21.160 3.311 1.00 1.00 H new ATOM 0 HA ILE A 64 32.760 -21.866 3.924 1.00 1.00 H new ATOM 0 HB ILE A 64 32.411 -23.702 2.340 1.00 1.00 H new ATOM 0 HG12 ILE A 64 29.530 -23.865 2.565 1.00 1.00 H new ATOM 0 HG13 ILE A 64 29.988 -22.371 1.772 1.00 1.00 H new ATOM 0 HG21 ILE A 64 31.200 -25.151 3.916 1.00 1.00 H new ATOM 0 HG22 ILE A 64 32.370 -24.094 4.742 1.00 1.00 H new ATOM 0 HG23 ILE A 64 30.633 -23.712 4.796 1.00 1.00 H new ATOM 0 HD11 ILE A 64 29.736 -24.198 0.122 1.00 1.00 H new ATOM 0 HD12 ILE A 64 31.426 -23.641 0.181 1.00 1.00 H new ATOM 0 HD13 ILE A 64 30.960 -25.158 0.986 1.00 1.00 H new ATOM 1073 N PRO A 65 33.163 -19.963 2.271 1.00 1.00 N ATOM 1074 CA PRO A 65 33.666 -19.081 1.233 1.00 1.00 C ATOM 1075 C PRO A 65 34.765 -19.765 0.417 1.00 1.00 C ATOM 1076 O PRO A 65 35.505 -19.060 -0.285 1.00 1.00 O ATOM 1077 CB PRO A 65 34.156 -17.844 1.969 1.00 1.00 C ATOM 1078 CG PRO A 65 34.337 -18.267 3.418 1.00 1.00 C ATOM 1079 CD PRO A 65 33.638 -19.604 3.605 1.00 1.00 C ATOM 0 HA PRO A 65 32.903 -18.816 0.501 1.00 1.00 H new ATOM 0 HB2 PRO A 65 35.094 -17.484 1.547 1.00 1.00 H new ATOM 0 HB3 PRO A 65 33.436 -17.030 1.887 1.00 1.00 H new ATOM 0 HG2 PRO A 65 35.396 -18.353 3.661 1.00 1.00 H new ATOM 0 HG3 PRO A 65 33.916 -17.519 4.089 1.00 1.00 H new ATOM 0 HD2 PRO A 65 34.321 -20.357 3.998 1.00 1.00 H new ATOM 0 HD3 PRO A 65 32.812 -19.524 4.311 1.00 1.00 H new ATOM 1087 N ARG A 66 34.850 -21.103 0.525 1.00 1.00 N ATOM 1088 CA ARG A 66 35.850 -21.872 -0.198 1.00 1.00 C ATOM 1089 C ARG A 66 35.754 -23.341 0.216 1.00 1.00 C ATOM 1090 O ARG A 66 36.462 -23.738 1.153 1.00 1.00 O ATOM 1091 CB ARG A 66 37.264 -21.361 0.083 1.00 1.00 C ATOM 1092 CG ARG A 66 38.216 -21.726 -1.058 1.00 1.00 C ATOM 1093 CD ARG A 66 39.649 -21.884 -0.548 1.00 1.00 C ATOM 1094 NE ARG A 66 40.447 -20.688 -0.900 1.00 1.00 N ATOM 1095 CZ ARG A 66 40.969 -20.460 -2.125 1.00 1.00 C ATOM 1096 NH1 ARG A 66 40.763 -21.360 -3.096 1.00 1.00 N ATOM 1097 NH2 ARG A 66 41.681 -19.351 -2.365 1.00 1.00 N ATOM 0 H ARG A 66 34.232 -21.665 1.110 1.00 1.00 H new ATOM 0 HA ARG A 66 35.655 -21.763 -1.265 1.00 1.00 H new ATOM 0 HB2 ARG A 66 37.244 -20.279 0.213 1.00 1.00 H new ATOM 0 HB3 ARG A 66 37.630 -21.788 1.017 1.00 1.00 H new ATOM 0 HG2 ARG A 66 37.889 -22.654 -1.526 1.00 1.00 H new ATOM 0 HG3 ARG A 66 38.183 -20.953 -1.825 1.00 1.00 H new ATOM 0 HD2 ARG A 66 39.646 -22.024 0.533 1.00 1.00 H new ATOM 0 HD3 ARG A 66 40.102 -22.775 -0.983 1.00 1.00 H new ATOM 0 HE ARG A 66 40.613 -19.993 -0.172 1.00 1.00 H new ATOM 0 HH11 ARG A 66 40.219 -22.201 -2.904 1.00 1.00 H new ATOM 0 HH12 ARG A 66 41.150 -21.204 -4.027 1.00 1.00 H new ATOM 0 HH21 ARG A 66 41.833 -18.671 -1.620 1.00 1.00 H new ATOM 0 HH22 ARG A 66 42.072 -19.187 -3.293 1.00 1.00 H new ATOM 1111 N GLU A 67 34.894 -24.108 -0.479 1.00 1.00 N ATOM 1112 CA GLU A 67 34.710 -25.519 -0.185 1.00 1.00 C ATOM 1113 C GLU A 67 34.640 -26.304 -1.497 1.00 1.00 C ATOM 1114 O GLU A 67 34.610 -25.670 -2.562 1.00 1.00 O ATOM 1115 CB GLU A 67 33.459 -25.758 0.663 1.00 1.00 C ATOM 1116 CG GLU A 67 33.824 -26.371 2.017 1.00 1.00 C ATOM 1117 CD GLU A 67 34.125 -25.282 3.049 1.00 1.00 C ATOM 1118 OE1 GLU A 67 34.567 -24.174 2.559 1.00 1.00 O ATOM 1119 OE2 GLU A 67 33.942 -25.503 4.255 1.00 1.00 O ATOM 0 H GLU A 67 34.320 -23.762 -1.248 1.00 1.00 H new ATOM 0 HA GLU A 67 35.562 -25.868 0.399 1.00 1.00 H new ATOM 0 HB2 GLU A 67 32.933 -24.815 0.816 1.00 1.00 H new ATOM 0 HB3 GLU A 67 32.776 -26.421 0.132 1.00 1.00 H new ATOM 0 HG2 GLU A 67 33.003 -26.995 2.371 1.00 1.00 H new ATOM 0 HG3 GLU A 67 34.692 -27.020 1.904 1.00 1.00 H new ATOM 1126 N PRO A 68 34.617 -27.645 -1.396 1.00 1.00 N ATOM 1127 CA PRO A 68 34.553 -28.534 -2.543 1.00 1.00 C ATOM 1128 C PRO A 68 33.146 -28.550 -3.146 1.00 1.00 C ATOM 1129 O PRO A 68 32.390 -29.488 -2.855 1.00 1.00 O ATOM 1130 CB PRO A 68 34.987 -29.891 -2.013 1.00 1.00 C ATOM 1131 CG PRO A 68 34.831 -29.818 -0.502 1.00 1.00 C ATOM 1132 CD PRO A 68 34.655 -28.357 -0.122 1.00 1.00 C ATOM 0 HA PRO A 68 35.200 -28.214 -3.360 1.00 1.00 H new ATOM 0 HB2 PRO A 68 34.372 -30.688 -2.431 1.00 1.00 H new ATOM 0 HB3 PRO A 68 36.019 -30.106 -2.289 1.00 1.00 H new ATOM 0 HG2 PRO A 68 33.970 -30.403 -0.178 1.00 1.00 H new ATOM 0 HG3 PRO A 68 35.706 -30.238 -0.007 1.00 1.00 H new ATOM 0 HD2 PRO A 68 33.737 -28.203 0.445 1.00 1.00 H new ATOM 0 HD3 PRO A 68 35.478 -28.008 0.502 1.00 1.00 H new ATOM 1140 N GLY A 69 32.829 -27.527 -3.960 1.00 1.00 N ATOM 1141 CA GLY A 69 31.527 -27.425 -4.596 1.00 1.00 C ATOM 1142 C GLY A 69 30.938 -26.040 -4.321 1.00 1.00 C ATOM 1143 O GLY A 69 29.736 -25.958 -4.029 1.00 1.00 O ATOM 0 H GLY A 69 33.467 -26.763 -4.186 1.00 1.00 H new ATOM 0 HA2 GLY A 69 31.620 -27.587 -5.670 1.00 1.00 H new ATOM 0 HA3 GLY A 69 30.861 -28.199 -4.214 1.00 1.00 H new ATOM 1147 N ASN A 70 31.781 -24.997 -4.420 1.00 1.00 N ATOM 1148 CA ASN A 70 31.346 -23.630 -4.184 1.00 1.00 C ATOM 1149 C ASN A 70 30.744 -23.062 -5.471 1.00 1.00 C ATOM 1150 O ASN A 70 29.604 -22.578 -5.425 1.00 1.00 O ATOM 1151 CB ASN A 70 32.522 -22.740 -3.778 1.00 1.00 C ATOM 1152 CG ASN A 70 32.319 -22.170 -2.372 1.00 1.00 C ATOM 1153 OD1 ASN A 70 33.080 -22.427 -1.454 1.00 1.00 O ATOM 1154 ND2 ASN A 70 31.253 -21.384 -2.257 1.00 1.00 N ATOM 0 H ASN A 70 32.768 -25.087 -4.663 1.00 1.00 H new ATOM 0 HA ASN A 70 30.611 -23.644 -3.380 1.00 1.00 H new ATOM 0 HB2 ASN A 70 33.447 -23.316 -3.811 1.00 1.00 H new ATOM 0 HB3 ASN A 70 32.629 -21.924 -4.493 1.00 1.00 H new ATOM 0 HD21 ASN A 70 31.031 -20.954 -1.359 1.00 1.00 H new ATOM 0 HD22 ASN A 70 30.657 -21.211 -3.067 1.00 1.00 H new ATOM 1161 N PRO A 71 31.510 -23.129 -6.574 1.00 1.00 N ATOM 1162 CA PRO A 71 31.089 -22.636 -7.874 1.00 1.00 C ATOM 1163 C PRO A 71 30.071 -23.581 -8.516 1.00 1.00 C ATOM 1164 O PRO A 71 30.299 -24.004 -9.659 1.00 1.00 O ATOM 1165 CB PRO A 71 32.371 -22.508 -8.681 1.00 1.00 C ATOM 1166 CG PRO A 71 33.401 -23.369 -7.966 1.00 1.00 C ATOM 1167 CD PRO A 71 32.851 -23.707 -6.590 1.00 1.00 C ATOM 0 HA PRO A 71 30.575 -21.677 -7.813 1.00 1.00 H new ATOM 0 HB2 PRO A 71 32.223 -22.847 -9.706 1.00 1.00 H new ATOM 0 HB3 PRO A 71 32.698 -21.470 -8.733 1.00 1.00 H new ATOM 0 HG2 PRO A 71 33.597 -24.279 -8.533 1.00 1.00 H new ATOM 0 HG3 PRO A 71 34.348 -22.837 -7.878 1.00 1.00 H new ATOM 0 HD2 PRO A 71 32.820 -24.785 -6.430 1.00 1.00 H new ATOM 0 HD3 PRO A 71 33.473 -23.286 -5.800 1.00 1.00 H new ATOM 1175 N GLY A 72 28.987 -23.887 -7.781 1.00 1.00 N ATOM 1176 CA GLY A 72 27.947 -24.772 -8.276 1.00 1.00 C ATOM 1177 C GLY A 72 26.586 -24.090 -8.120 1.00 1.00 C ATOM 1178 O GLY A 72 25.851 -24.008 -9.115 1.00 1.00 O ATOM 0 H GLY A 72 28.819 -23.528 -6.841 1.00 1.00 H new ATOM 0 HA2 GLY A 72 28.127 -25.014 -9.323 1.00 1.00 H new ATOM 0 HA3 GLY A 72 27.961 -25.712 -7.725 1.00 1.00 H new ATOM 1182 N LYS A 73 26.283 -23.622 -6.896 1.00 1.00 N ATOM 1183 CA LYS A 73 25.023 -22.955 -6.617 1.00 1.00 C ATOM 1184 C LYS A 73 25.286 -21.718 -5.756 1.00 1.00 C ATOM 1185 O LYS A 73 25.324 -20.610 -6.312 1.00 1.00 O ATOM 1186 CB LYS A 73 24.024 -23.934 -5.997 1.00 1.00 C ATOM 1187 CG LYS A 73 22.694 -23.242 -5.693 1.00 1.00 C ATOM 1188 CD LYS A 73 21.639 -24.254 -5.243 1.00 1.00 C ATOM 1189 CE LYS A 73 21.020 -24.971 -6.445 1.00 1.00 C ATOM 1190 NZ LYS A 73 20.134 -24.059 -7.188 1.00 1.00 N ATOM 0 H LYS A 73 26.903 -23.699 -6.090 1.00 1.00 H new ATOM 0 HA LYS A 73 24.562 -22.609 -7.542 1.00 1.00 H new ATOM 0 HB2 LYS A 73 23.856 -24.768 -6.678 1.00 1.00 H new ATOM 0 HB3 LYS A 73 24.439 -24.350 -5.079 1.00 1.00 H new ATOM 0 HG2 LYS A 73 22.839 -22.493 -4.915 1.00 1.00 H new ATOM 0 HG3 LYS A 73 22.343 -22.716 -6.581 1.00 1.00 H new ATOM 0 HD2 LYS A 73 22.093 -24.984 -4.573 1.00 1.00 H new ATOM 0 HD3 LYS A 73 20.859 -23.744 -4.677 1.00 1.00 H new ATOM 0 HE2 LYS A 73 21.808 -25.338 -7.103 1.00 1.00 H new ATOM 0 HE3 LYS A 73 20.456 -25.840 -6.107 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 19.487 -24.613 -7.784 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 19.582 -23.487 -6.517 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 20.706 -23.432 -7.788 1.00 1.00 H new ATOM 1204 N GLY A 74 25.459 -21.926 -4.439 1.00 1.00 N ATOM 1205 CA GLY A 74 25.715 -20.836 -3.514 1.00 1.00 C ATOM 1206 C GLY A 74 26.745 -21.285 -2.475 1.00 1.00 C ATOM 1207 O GLY A 74 27.910 -21.483 -2.848 1.00 1.00 O ATOM 0 H GLY A 74 25.424 -22.847 -4.001 1.00 1.00 H new ATOM 0 HA2 GLY A 74 26.083 -19.964 -4.055 1.00 1.00 H new ATOM 0 HA3 GLY A 74 24.790 -20.538 -3.021 1.00 1.00 H new ATOM 1211 N ASN A 75 26.302 -21.434 -1.214 1.00 1.00 N ATOM 1212 CA ASN A 75 27.179 -21.856 -0.135 1.00 1.00 C ATOM 1213 C ASN A 75 26.384 -22.702 0.861 1.00 1.00 C ATOM 1214 O ASN A 75 25.317 -23.210 0.485 1.00 1.00 O ATOM 1215 CB ASN A 75 27.747 -20.650 0.617 1.00 1.00 C ATOM 1216 CG ASN A 75 28.187 -19.555 -0.357 1.00 1.00 C ATOM 1217 OD1 ASN A 75 29.294 -19.552 -0.869 1.00 1.00 O ATOM 1218 ND2 ASN A 75 27.260 -18.628 -0.582 1.00 1.00 N ATOM 0 H ASN A 75 25.338 -21.265 -0.928 1.00 1.00 H new ATOM 0 HA ASN A 75 27.998 -22.428 -0.571 1.00 1.00 H new ATOM 0 HB2 ASN A 75 26.994 -20.254 1.299 1.00 1.00 H new ATOM 0 HB3 ASN A 75 28.595 -20.963 1.226 1.00 1.00 H new ATOM 0 HD21 ASN A 75 27.456 -17.854 -1.217 1.00 1.00 H new ATOM 0 HD22 ASN A 75 26.353 -18.691 -0.120 1.00 1.00 H new ATOM 1225 N TYR A 76 26.909 -22.835 2.092 1.00 1.00 N ATOM 1226 CA TYR A 76 26.205 -23.630 3.084 1.00 1.00 C ATOM 1227 C TYR A 76 26.417 -23.015 4.469 1.00 1.00 C ATOM 1228 O TYR A 76 27.353 -23.445 5.159 1.00 1.00 O ATOM 1229 CB TYR A 76 26.683 -25.093 3.027 1.00 1.00 C ATOM 1230 CG TYR A 76 26.676 -25.706 1.633 1.00 1.00 C ATOM 1231 CD1 TYR A 76 25.458 -25.888 0.938 1.00 1.00 C ATOM 1232 CD2 TYR A 76 27.891 -26.102 1.029 1.00 1.00 C ATOM 1233 CE1 TYR A 76 25.456 -26.459 -0.352 1.00 1.00 C ATOM 1234 CE2 TYR A 76 27.889 -26.674 -0.261 1.00 1.00 C ATOM 1235 CZ TYR A 76 26.672 -26.852 -0.954 1.00 1.00 C ATOM 1236 OH TYR A 76 26.675 -27.404 -2.203 1.00 1.00 O ATOM 0 H TYR A 76 27.785 -22.416 2.405 1.00 1.00 H new ATOM 0 HA TYR A 76 25.136 -23.629 2.872 1.00 1.00 H new ATOM 0 HB2 TYR A 76 27.695 -25.147 3.429 1.00 1.00 H new ATOM 0 HB3 TYR A 76 26.049 -25.695 3.678 1.00 1.00 H new ATOM 0 HD1 TYR A 76 24.527 -25.589 1.396 1.00 1.00 H new ATOM 0 HD2 TYR A 76 28.824 -25.966 1.556 1.00 1.00 H new ATOM 0 HE1 TYR A 76 24.524 -26.596 -0.880 1.00 1.00 H new ATOM 0 HE2 TYR A 76 28.819 -26.976 -0.719 1.00 1.00 H new ATOM 0 HH TYR A 76 27.595 -27.615 -2.465 1.00 1.00 H new ATOM 1246 N TRP A 77 25.570 -22.038 4.839 1.00 1.00 N ATOM 1247 CA TRP A 77 25.678 -21.372 6.126 1.00 1.00 C ATOM 1248 C TRP A 77 25.010 -22.234 7.198 1.00 1.00 C ATOM 1249 O TRP A 77 23.837 -22.593 7.020 1.00 1.00 O ATOM 1250 CB TRP A 77 25.094 -19.961 6.043 1.00 1.00 C ATOM 1251 CG TRP A 77 25.729 -19.086 4.960 1.00 1.00 C ATOM 1252 CD1 TRP A 77 26.157 -19.457 3.746 1.00 1.00 C ATOM 1253 CD2 TRP A 77 25.992 -17.670 5.044 1.00 1.00 C ATOM 1254 NE1 TRP A 77 26.674 -18.388 3.043 1.00 1.00 N ATOM 1255 CE2 TRP A 77 26.571 -17.267 3.858 1.00 1.00 C ATOM 1256 CE3 TRP A 77 25.749 -16.759 6.087 1.00 1.00 C ATOM 1257 CZ2 TRP A 77 26.955 -15.945 3.603 1.00 1.00 C ATOM 1258 CZ3 TRP A 77 26.139 -15.442 5.817 1.00 1.00 C ATOM 1259 CH2 TRP A 77 26.723 -15.020 4.628 1.00 1.00 C ATOM 0 H TRP A 77 24.805 -21.700 4.255 1.00 1.00 H new ATOM 0 HA TRP A 77 26.725 -21.255 6.406 1.00 1.00 H new ATOM 0 HB2 TRP A 77 24.023 -20.033 5.855 1.00 1.00 H new ATOM 0 HB3 TRP A 77 25.216 -19.471 7.009 1.00 1.00 H new ATOM 0 HD1 TRP A 77 26.104 -20.466 3.365 1.00 1.00 H new ATOM 0 HE1 TRP A 77 27.060 -18.416 2.099 1.00 1.00 H new ATOM 0 HE3 TRP A 77 25.297 -17.052 7.023 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 27.406 -15.654 2.666 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 25.975 -14.702 6.586 1.00 1.00 H new ATOM 0 HH2 TRP A 77 26.996 -13.984 4.496 1.00 1.00 H new ATOM 1270 N THR A 78 25.757 -22.545 8.273 1.00 1.00 N ATOM 1271 CA THR A 78 25.240 -23.356 9.362 1.00 1.00 C ATOM 1272 C THR A 78 25.298 -22.554 10.663 1.00 1.00 C ATOM 1273 O THR A 78 26.259 -21.792 10.844 1.00 1.00 O ATOM 1274 CB THR A 78 26.035 -24.663 9.418 1.00 1.00 C ATOM 1275 OG1 THR A 78 27.393 -24.239 9.499 1.00 1.00 O ATOM 1276 CG2 THR A 78 25.967 -25.446 8.105 1.00 1.00 C ATOM 0 H THR A 78 26.722 -22.240 8.400 1.00 1.00 H new ATOM 0 HA THR A 78 24.194 -23.618 9.204 1.00 1.00 H new ATOM 0 HB THR A 78 25.657 -25.284 10.231 1.00 1.00 H new ATOM 0 HG1 THR A 78 27.979 -25.024 9.541 1.00 1.00 H new ATOM 0 HG21 THR A 78 26.547 -26.364 8.198 1.00 1.00 H new ATOM 0 HG22 THR A 78 24.929 -25.694 7.882 1.00 1.00 H new ATOM 0 HG23 THR A 78 26.376 -24.839 7.298 1.00 1.00 H new ATOM 1284 N LEU A 79 24.285 -22.736 11.529 1.00 1.00 N ATOM 1285 CA LEU A 79 24.222 -22.034 12.799 1.00 1.00 C ATOM 1286 C LEU A 79 25.295 -22.589 13.738 1.00 1.00 C ATOM 1287 O LEU A 79 25.437 -23.819 13.809 1.00 1.00 O ATOM 1288 CB LEU A 79 22.806 -22.097 13.377 1.00 1.00 C ATOM 1289 CG LEU A 79 22.001 -20.798 13.323 1.00 1.00 C ATOM 1290 CD1 LEU A 79 21.002 -20.820 12.164 1.00 1.00 C ATOM 1291 CD2 LEU A 79 21.317 -20.520 14.663 1.00 1.00 C ATOM 0 H LEU A 79 23.502 -23.368 11.361 1.00 1.00 H new ATOM 0 HA LEU A 79 24.437 -20.975 12.659 1.00 1.00 H new ATOM 0 HB2 LEU A 79 22.251 -22.868 12.842 1.00 1.00 H new ATOM 0 HB3 LEU A 79 22.873 -22.416 14.417 1.00 1.00 H new ATOM 0 HG LEU A 79 22.692 -19.976 13.138 1.00 1.00 H new ATOM 0 HD11 LEU A 79 20.442 -19.885 12.148 1.00 1.00 H new ATOM 0 HD12 LEU A 79 21.539 -20.938 11.223 1.00 1.00 H new ATOM 0 HD13 LEU A 79 20.312 -21.654 12.294 1.00 1.00 H new ATOM 0 HD21 LEU A 79 20.751 -19.591 14.597 1.00 1.00 H new ATOM 0 HD22 LEU A 79 20.640 -21.340 14.903 1.00 1.00 H new ATOM 0 HD23 LEU A 79 22.071 -20.431 15.445 1.00 1.00 H new ATOM 1303 N ASP A 80 26.016 -21.688 14.428 1.00 1.00 N ATOM 1304 CA ASP A 80 27.065 -22.085 15.352 1.00 1.00 C ATOM 1305 C ASP A 80 26.430 -22.662 16.619 1.00 1.00 C ATOM 1306 O ASP A 80 26.865 -23.736 17.060 1.00 1.00 O ATOM 1307 CB ASP A 80 27.925 -20.887 15.757 1.00 1.00 C ATOM 1308 CG ASP A 80 28.292 -20.827 17.241 1.00 1.00 C ATOM 1309 OD1 ASP A 80 28.771 -21.921 17.729 1.00 1.00 O ATOM 1310 OD2 ASP A 80 28.129 -19.788 17.898 1.00 1.00 O ATOM 0 H ASP A 80 25.882 -20.679 14.355 1.00 1.00 H new ATOM 0 HA ASP A 80 27.691 -22.825 14.854 1.00 1.00 H new ATOM 0 HB2 ASP A 80 28.844 -20.904 15.171 1.00 1.00 H new ATOM 0 HB3 ASP A 80 27.395 -19.972 15.492 1.00 1.00 H new ATOM 1315 N PRO A 81 25.431 -21.950 17.170 1.00 1.00 N ATOM 1316 CA PRO A 81 24.723 -22.357 18.372 1.00 1.00 C ATOM 1317 C PRO A 81 23.752 -23.501 18.075 1.00 1.00 C ATOM 1318 O PRO A 81 23.410 -24.241 19.009 1.00 1.00 O ATOM 1319 CB PRO A 81 24.027 -21.098 18.864 1.00 1.00 C ATOM 1320 CG PRO A 81 23.988 -20.152 17.675 1.00 1.00 C ATOM 1321 CD PRO A 81 24.944 -20.687 16.622 1.00 1.00 C ATOM 0 HA PRO A 81 25.389 -22.753 19.139 1.00 1.00 H new ATOM 0 HB2 PRO A 81 23.021 -21.321 19.219 1.00 1.00 H new ATOM 0 HB3 PRO A 81 24.568 -20.654 19.699 1.00 1.00 H new ATOM 0 HG2 PRO A 81 22.977 -20.085 17.274 1.00 1.00 H new ATOM 0 HG3 PRO A 81 24.278 -19.146 17.978 1.00 1.00 H new ATOM 0 HD2 PRO A 81 24.438 -20.838 15.668 1.00 1.00 H new ATOM 0 HD3 PRO A 81 25.764 -19.992 16.441 1.00 1.00 H new ATOM 1329 N GLN A 82 23.333 -23.621 16.803 1.00 1.00 N ATOM 1330 CA GLN A 82 22.411 -24.665 16.391 1.00 1.00 C ATOM 1331 C GLN A 82 23.198 -25.935 16.063 1.00 1.00 C ATOM 1332 O GLN A 82 22.806 -27.011 16.539 1.00 1.00 O ATOM 1333 CB GLN A 82 21.560 -24.225 15.198 1.00 1.00 C ATOM 1334 CG GLN A 82 20.292 -25.074 15.086 1.00 1.00 C ATOM 1335 CD GLN A 82 19.455 -24.653 13.876 1.00 1.00 C ATOM 1336 OE1 GLN A 82 18.333 -24.190 13.995 1.00 1.00 O ATOM 1337 NE2 GLN A 82 20.063 -24.839 12.708 1.00 1.00 N ATOM 0 H GLN A 82 23.626 -23.000 16.049 1.00 1.00 H new ATOM 0 HA GLN A 82 21.725 -24.869 17.213 1.00 1.00 H new ATOM 0 HB2 GLN A 82 21.290 -23.175 15.307 1.00 1.00 H new ATOM 0 HB3 GLN A 82 22.142 -24.311 14.280 1.00 1.00 H new ATOM 0 HG2 GLN A 82 20.561 -26.126 14.998 1.00 1.00 H new ATOM 0 HG3 GLN A 82 19.700 -24.972 15.996 1.00 1.00 H new ATOM 0 HE21 GLN A 82 21.004 -25.232 12.680 1.00 1.00 H new ATOM 0 HE22 GLN A 82 19.588 -24.589 11.840 1.00 1.00 H new ATOM 1346 N SER A 83 24.275 -25.789 15.271 1.00 1.00 N ATOM 1347 CA SER A 83 25.107 -26.916 14.886 1.00 1.00 C ATOM 1348 C SER A 83 25.769 -27.506 16.133 1.00 1.00 C ATOM 1349 O SER A 83 25.487 -28.669 16.456 1.00 1.00 O ATOM 1350 CB SER A 83 26.170 -26.505 13.865 1.00 1.00 C ATOM 1351 OG SER A 83 27.261 -25.823 14.476 1.00 1.00 O ATOM 0 H SER A 83 24.581 -24.894 14.890 1.00 1.00 H new ATOM 0 HA SER A 83 24.474 -27.668 14.415 1.00 1.00 H new ATOM 0 HB2 SER A 83 26.540 -27.391 13.350 1.00 1.00 H new ATOM 0 HB3 SER A 83 25.718 -25.862 13.110 1.00 1.00 H new ATOM 0 HG SER A 83 27.063 -24.864 14.522 1.00 1.00 H new ATOM 1357 N GLU A 84 26.621 -26.705 16.798 1.00 1.00 N ATOM 1358 CA GLU A 84 27.314 -27.145 17.997 1.00 1.00 C ATOM 1359 C GLU A 84 28.492 -28.037 17.602 1.00 1.00 C ATOM 1360 O GLU A 84 29.282 -28.399 18.487 1.00 1.00 O ATOM 1361 CB GLU A 84 26.371 -27.875 18.955 1.00 1.00 C ATOM 1362 CG GLU A 84 26.192 -27.088 20.255 1.00 1.00 C ATOM 1363 CD GLU A 84 27.428 -27.216 21.148 1.00 1.00 C ATOM 1364 OE1 GLU A 84 28.540 -26.872 20.593 1.00 1.00 O ATOM 1365 OE2 GLU A 84 27.312 -27.628 22.312 1.00 1.00 O ATOM 0 H GLU A 84 26.839 -25.749 16.515 1.00 1.00 H new ATOM 0 HA GLU A 84 27.688 -26.268 18.526 1.00 1.00 H new ATOM 0 HB2 GLU A 84 25.402 -28.020 18.477 1.00 1.00 H new ATOM 0 HB3 GLU A 84 26.768 -28.866 19.177 1.00 1.00 H new ATOM 0 HG2 GLU A 84 26.011 -26.038 20.026 1.00 1.00 H new ATOM 0 HG3 GLU A 84 25.314 -27.454 20.788 1.00 1.00 H new ATOM 1372 N ASP A 85 28.587 -28.370 16.302 1.00 1.00 N ATOM 1373 CA ASP A 85 29.659 -29.211 15.798 1.00 1.00 C ATOM 1374 C ASP A 85 30.910 -28.358 15.578 1.00 1.00 C ATOM 1375 O ASP A 85 31.977 -28.736 16.082 1.00 1.00 O ATOM 1376 CB ASP A 85 29.277 -29.846 14.458 1.00 1.00 C ATOM 1377 CG ASP A 85 28.330 -29.012 13.594 1.00 1.00 C ATOM 1378 OD1 ASP A 85 28.712 -27.961 13.057 1.00 1.00 O ATOM 1379 OD2 ASP A 85 27.135 -29.486 13.480 1.00 1.00 O ATOM 0 H ASP A 85 27.926 -28.062 15.589 1.00 1.00 H new ATOM 0 HA ASP A 85 29.844 -29.997 16.530 1.00 1.00 H new ATOM 0 HB2 ASP A 85 30.188 -30.038 13.891 1.00 1.00 H new ATOM 0 HB3 ASP A 85 28.812 -30.813 14.651 1.00 1.00 H new ATOM 1384 N MET A 86 30.757 -27.243 14.841 1.00 1.00 N ATOM 1385 CA MET A 86 31.866 -26.349 14.559 1.00 1.00 C ATOM 1386 C MET A 86 32.571 -25.988 15.868 1.00 1.00 C ATOM 1387 O MET A 86 33.752 -25.616 15.819 1.00 1.00 O ATOM 1388 CB MET A 86 31.362 -25.073 13.882 1.00 1.00 C ATOM 1389 CG MET A 86 30.438 -24.286 14.813 1.00 1.00 C ATOM 1390 SD MET A 86 30.844 -22.516 14.741 1.00 1.00 S ATOM 1391 CE MET A 86 32.476 -22.534 15.540 1.00 1.00 C ATOM 0 H MET A 86 29.869 -26.950 14.434 1.00 1.00 H new ATOM 0 HA MET A 86 32.564 -26.851 13.889 1.00 1.00 H new ATOM 0 HB2 MET A 86 32.209 -24.451 13.594 1.00 1.00 H new ATOM 0 HB3 MET A 86 30.829 -25.329 12.966 1.00 1.00 H new ATOM 0 HG2 MET A 86 29.399 -24.441 14.524 1.00 1.00 H new ATOM 0 HG3 MET A 86 30.542 -24.650 15.835 1.00 1.00 H new ATOM 0 HE1 MET A 86 32.724 -21.530 15.884 1.00 1.00 H new ATOM 0 HE2 MET A 86 32.457 -23.214 16.391 1.00 1.00 H new ATOM 0 HE3 MET A 86 33.228 -22.869 14.825 1.00 1.00 H new ATOM 1401 N PHE A 87 31.844 -26.104 16.995 1.00 1.00 N ATOM 1402 CA PHE A 87 32.396 -25.792 18.302 1.00 1.00 C ATOM 1403 C PHE A 87 33.657 -26.628 18.531 1.00 1.00 C ATOM 1404 O PHE A 87 34.652 -26.073 19.020 1.00 1.00 O ATOM 1405 CB PHE A 87 31.339 -26.089 19.383 1.00 1.00 C ATOM 1406 CG PHE A 87 31.779 -25.772 20.806 1.00 1.00 C ATOM 1407 CD1 PHE A 87 32.427 -26.760 21.584 1.00 1.00 C ATOM 1408 CD2 PHE A 87 31.551 -24.489 21.356 1.00 1.00 C ATOM 1409 CE1 PHE A 87 32.840 -26.468 22.901 1.00 1.00 C ATOM 1410 CE2 PHE A 87 31.964 -24.198 22.674 1.00 1.00 C ATOM 1411 CZ PHE A 87 32.608 -25.188 23.447 1.00 1.00 C ATOM 0 H PHE A 87 30.872 -26.413 17.014 1.00 1.00 H new ATOM 0 HA PHE A 87 32.664 -24.737 18.356 1.00 1.00 H new ATOM 0 HB2 PHE A 87 30.439 -25.516 19.159 1.00 1.00 H new ATOM 0 HB3 PHE A 87 31.068 -27.143 19.327 1.00 1.00 H new ATOM 0 HD1 PHE A 87 32.606 -27.741 21.169 1.00 1.00 H new ATOM 0 HD2 PHE A 87 31.059 -23.730 20.766 1.00 1.00 H new ATOM 0 HE1 PHE A 87 33.334 -27.225 23.492 1.00 1.00 H new ATOM 0 HE2 PHE A 87 31.787 -23.218 23.091 1.00 1.00 H new ATOM 0 HZ PHE A 87 32.923 -24.966 24.456 1.00 1.00 H new ATOM 1421 N ASP A 88 33.591 -27.925 18.181 1.00 1.00 N ATOM 1422 CA ASP A 88 34.718 -28.826 18.347 1.00 1.00 C ATOM 1423 C ASP A 88 34.814 -29.748 17.129 1.00 1.00 C ATOM 1424 O ASP A 88 35.899 -29.833 16.537 1.00 1.00 O ATOM 1425 CB ASP A 88 34.546 -29.701 19.590 1.00 1.00 C ATOM 1426 CG ASP A 88 33.201 -30.424 19.690 1.00 1.00 C ATOM 1427 OD1 ASP A 88 32.175 -29.653 19.818 1.00 1.00 O ATOM 1428 OD2 ASP A 88 33.137 -31.662 19.647 1.00 1.00 O ATOM 0 H ASP A 88 32.761 -28.362 17.781 1.00 1.00 H new ATOM 0 HA ASP A 88 35.619 -28.222 18.453 1.00 1.00 H new ATOM 0 HB2 ASP A 88 35.343 -30.444 19.606 1.00 1.00 H new ATOM 0 HB3 ASP A 88 34.673 -29.078 20.475 1.00 1.00 H new ATOM 1433 N ASN A 89 33.694 -30.409 16.786 1.00 1.00 N ATOM 1434 CA ASN A 89 33.652 -31.314 15.650 1.00 1.00 C ATOM 1435 C ASN A 89 34.297 -30.637 14.439 1.00 1.00 C ATOM 1436 O ASN A 89 34.857 -31.350 13.594 1.00 1.00 O ATOM 1437 CB ASN A 89 32.210 -31.668 15.281 1.00 1.00 C ATOM 1438 CG ASN A 89 31.696 -32.833 16.130 1.00 1.00 C ATOM 1439 OD1 ASN A 89 31.787 -33.992 15.760 1.00 1.00 O ATOM 1440 ND2 ASN A 89 31.154 -32.461 17.286 1.00 1.00 N ATOM 0 H ASN A 89 32.810 -30.325 17.288 1.00 1.00 H new ATOM 0 HA ASN A 89 34.188 -32.223 15.923 1.00 1.00 H new ATOM 0 HB2 ASN A 89 31.570 -30.798 15.426 1.00 1.00 H new ATOM 0 HB3 ASN A 89 32.155 -31.931 14.225 1.00 1.00 H new ATOM 0 HD21 ASN A 89 30.782 -33.164 17.925 1.00 1.00 H new ATOM 0 HD22 ASN A 89 31.110 -31.473 17.534 1.00 1.00 H new ATOM 1447 N GLY A 90 34.207 -29.296 14.381 1.00 1.00 N ATOM 1448 CA GLY A 90 34.778 -28.533 13.284 1.00 1.00 C ATOM 1449 C GLY A 90 36.281 -28.362 13.515 1.00 1.00 C ATOM 1450 O GLY A 90 37.065 -28.993 12.792 1.00 1.00 O ATOM 0 H GLY A 90 33.741 -28.728 15.088 1.00 1.00 H new ATOM 0 HA2 GLY A 90 34.600 -29.045 12.338 1.00 1.00 H new ATOM 0 HA3 GLY A 90 34.296 -27.558 13.214 1.00 1.00 H new ATOM 1454 N SER A 91 36.646 -27.525 14.503 1.00 1.00 N ATOM 1455 CA SER A 91 38.041 -27.275 14.824 1.00 1.00 C ATOM 1456 C SER A 91 38.146 -26.001 15.665 1.00 1.00 C ATOM 1457 O SER A 91 38.501 -24.953 15.105 1.00 1.00 O ATOM 1458 CB SER A 91 38.893 -27.148 13.559 1.00 1.00 C ATOM 1459 OG SER A 91 40.171 -26.579 13.831 1.00 1.00 O ATOM 0 H SER A 91 35.984 -27.015 15.087 1.00 1.00 H new ATOM 0 HA SER A 91 38.423 -28.123 15.392 1.00 1.00 H new ATOM 0 HB2 SER A 91 39.023 -28.132 13.109 1.00 1.00 H new ATOM 0 HB3 SER A 91 38.369 -26.530 12.829 1.00 1.00 H new ATOM 0 HG SER A 91 40.062 -25.643 14.099 1.00 1.00 H new ATOM 1465 N PHE A 92 37.841 -26.114 16.970 1.00 1.00 N ATOM 1466 CA PHE A 92 37.902 -24.979 17.875 1.00 1.00 C ATOM 1467 C PHE A 92 38.226 -25.475 19.286 1.00 1.00 C ATOM 1468 O PHE A 92 39.227 -25.017 19.856 1.00 1.00 O ATOM 1469 CB PHE A 92 36.550 -24.239 17.853 1.00 1.00 C ATOM 1470 CG PHE A 92 36.649 -22.742 17.590 1.00 1.00 C ATOM 1471 CD1 PHE A 92 37.412 -21.921 18.453 1.00 1.00 C ATOM 1472 CD2 PHE A 92 35.987 -22.166 16.482 1.00 1.00 C ATOM 1473 CE1 PHE A 92 37.509 -20.535 18.210 1.00 1.00 C ATOM 1474 CE2 PHE A 92 36.085 -20.779 16.239 1.00 1.00 C ATOM 1475 CZ PHE A 92 36.846 -19.963 17.103 1.00 1.00 C ATOM 0 H PHE A 92 37.551 -26.987 17.411 1.00 1.00 H new ATOM 0 HA PHE A 92 38.684 -24.288 17.560 1.00 1.00 H new ATOM 0 HB2 PHE A 92 35.918 -24.688 17.087 1.00 1.00 H new ATOM 0 HB3 PHE A 92 36.051 -24.394 18.809 1.00 1.00 H new ATOM 0 HD1 PHE A 92 37.921 -22.356 19.300 1.00 1.00 H new ATOM 0 HD2 PHE A 92 35.404 -22.789 15.819 1.00 1.00 H new ATOM 0 HE1 PHE A 92 38.091 -19.911 18.872 1.00 1.00 H new ATOM 0 HE2 PHE A 92 35.577 -20.342 15.392 1.00 1.00 H new ATOM 0 HZ PHE A 92 36.921 -18.902 16.917 1.00 1.00 H new ATOM 1485 N LEU A 93 37.388 -26.385 19.812 1.00 1.00 N ATOM 1486 CA LEU A 93 37.584 -26.935 21.142 1.00 1.00 C ATOM 1487 C LEU A 93 37.572 -25.799 22.166 1.00 1.00 C ATOM 1488 O LEU A 93 38.432 -25.743 23.044 1.00 1.00 O ATOM 1489 CB LEU A 93 38.853 -27.790 21.187 1.00 1.00 C ATOM 1490 CG LEU A 93 38.908 -28.960 20.202 1.00 1.00 C ATOM 1491 CD1 LEU A 93 40.332 -29.507 20.080 1.00 1.00 C ATOM 1492 CD2 LEU A 93 37.908 -30.050 20.590 1.00 1.00 C ATOM 0 H LEU A 93 36.569 -26.749 19.325 1.00 1.00 H new ATOM 0 HA LEU A 93 36.765 -27.607 21.401 1.00 1.00 H new ATOM 0 HB2 LEU A 93 39.710 -27.143 21.000 1.00 1.00 H new ATOM 0 HB3 LEU A 93 38.966 -28.185 22.197 1.00 1.00 H new ATOM 0 HG LEU A 93 38.618 -28.592 19.218 1.00 1.00 H new ATOM 0 HD11 LEU A 93 40.344 -30.338 19.374 1.00 1.00 H new ATOM 0 HD12 LEU A 93 40.995 -28.719 19.724 1.00 1.00 H new ATOM 0 HD13 LEU A 93 40.673 -29.855 21.055 1.00 1.00 H new ATOM 0 HD21 LEU A 93 37.967 -30.870 19.874 1.00 1.00 H new ATOM 0 HD22 LEU A 93 38.143 -30.422 21.587 1.00 1.00 H new ATOM 0 HD23 LEU A 93 36.899 -29.637 20.586 1.00 1.00 H new TER 1504 LEU A 93