USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 568 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 7 MET CE :methyl 165:sc= -0.132 (180deg=-0.459) USER MOD Set 1.2: A 37 MET CE :methyl -172:sc= -0.0655 (180deg=-0.233) USER MOD Set 2.1: A 23 ASN : amide:sc= -0.0216 K(o=0.82,f=-1) USER MOD Set 2.2: A 84 TYR OH : rot 180:sc= 0.839 USER MOD Set 3.1: A 9 LYS NZ :NH3+ 174:sc= 1.17 (180deg=0) USER MOD Set 3.2: A 17 SER OG : rot -171:sc= 1.06 USER MOD Single : A 4 TYR OH : rot -74:sc= 0.246 USER MOD Single : A 10 ASN : amide:sc= -1.73 K(o=-1.7,f=-8.9!) USER MOD Single : A 14 ASN : amide:sc= -0.0288 K(o=-0.029,f=-1.1!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0037 USER MOD Single : A 21 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0382) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.0823 K(o=-0.082,f=-1.2) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0817 USER MOD Single : A 33 ASN : amide:sc= 1 K(o=1,f=-0.37) USER MOD Single : A 35 HIS : no HD1:sc= -0.0849 K(o=-0.085,f=-1.2) USER MOD Single : A 39 THR OG1 : rot 22:sc= 0.902 USER MOD Single : A 46 LYS NZ :NH3+ 165:sc= -0.341 (180deg=-0.638) USER MOD Single : A 47 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.9) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.767 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -111:sc= 0.104 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 71 THR OG1 : rot -100:sc= -0.126 USER MOD Single : A 74 ASN : amide:sc= -0.591 X(o=-0.59,f=-0.67) USER MOD Single : A 76 ASN : amide:sc= -0.641 K(o=-0.64,f=-2.7) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -85:sc= 1.82 USER MOD ----------------------------------------------------------------- ATOM 26 N TYR A 4 8.763 -2.777 -6.737 1.00 0.00 N ATOM 27 CA TYR A 4 8.611 -2.596 -5.309 1.00 0.00 C ATOM 28 C TYR A 4 7.155 -2.229 -5.099 1.00 0.00 C ATOM 29 O TYR A 4 6.469 -1.899 -6.064 1.00 0.00 O ATOM 30 CB TYR A 4 9.494 -1.428 -4.848 1.00 0.00 C ATOM 31 CG TYR A 4 9.662 -0.350 -5.905 1.00 0.00 C ATOM 32 CD1 TYR A 4 8.634 0.587 -6.126 1.00 0.00 C ATOM 33 CD2 TYR A 4 10.690 -0.491 -6.856 1.00 0.00 C ATOM 34 CE1 TYR A 4 8.603 1.325 -7.322 1.00 0.00 C ATOM 35 CE2 TYR A 4 10.646 0.233 -8.055 1.00 0.00 C ATOM 36 CZ TYR A 4 9.589 1.122 -8.300 1.00 0.00 C ATOM 37 OH TYR A 4 9.525 1.791 -9.483 1.00 0.00 O ATOM 0 HA TYR A 4 8.896 -3.489 -4.752 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.060 -0.984 -3.952 1.00 0.00 H new ATOM 0 HB3 TYR A 4 10.476 -1.811 -4.570 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.870 0.738 -5.377 1.00 0.00 H new ATOM 0 HD2 TYR A 4 11.516 -1.159 -6.661 1.00 0.00 H new ATOM 0 HE1 TYR A 4 7.819 2.049 -7.489 1.00 0.00 H new ATOM 0 HE2 TYR A 4 11.426 0.106 -8.791 1.00 0.00 H new ATOM 0 HH TYR A 4 8.817 1.404 -10.040 1.00 0.00 H new ATOM 47 N LEU A 5 6.702 -2.234 -3.857 1.00 0.00 N ATOM 48 CA LEU A 5 5.453 -1.607 -3.461 1.00 0.00 C ATOM 49 C LEU A 5 5.845 -0.716 -2.301 1.00 0.00 C ATOM 50 O LEU A 5 6.445 -1.218 -1.357 1.00 0.00 O ATOM 51 CB LEU A 5 4.440 -2.688 -3.068 1.00 0.00 C ATOM 52 CG LEU A 5 3.036 -2.155 -2.728 1.00 0.00 C ATOM 53 CD1 LEU A 5 1.980 -3.207 -3.094 1.00 0.00 C ATOM 54 CD2 LEU A 5 2.898 -1.839 -1.233 1.00 0.00 C ATOM 0 H LEU A 5 7.198 -2.680 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 5 4.971 -1.030 -4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.355 -3.403 -3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.826 -3.234 -2.207 1.00 0.00 H new ATOM 0 HG LEU A 5 2.887 -1.239 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.988 -2.826 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.036 -3.422 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.166 -4.121 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.894 -1.465 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.072 -2.745 -0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.630 -1.082 -0.952 1.00 0.00 H new ATOM 66 N ILE A 6 5.578 0.580 -2.396 1.00 0.00 N ATOM 67 CA ILE A 6 5.863 1.563 -1.361 1.00 0.00 C ATOM 68 C ILE A 6 4.680 2.516 -1.350 1.00 0.00 C ATOM 69 O ILE A 6 3.875 2.490 -2.286 1.00 0.00 O ATOM 70 CB ILE A 6 7.158 2.336 -1.687 1.00 0.00 C ATOM 71 CG1 ILE A 6 7.052 3.058 -3.048 1.00 0.00 C ATOM 72 CG2 ILE A 6 8.377 1.412 -1.598 1.00 0.00 C ATOM 73 CD1 ILE A 6 8.395 3.541 -3.590 1.00 0.00 C ATOM 0 H ILE A 6 5.143 0.988 -3.223 1.00 0.00 H new ATOM 0 HA ILE A 6 6.006 1.084 -0.393 1.00 0.00 H new ATOM 0 HB ILE A 6 7.296 3.115 -0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.598 2.383 -3.774 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.383 3.912 -2.946 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.280 1.977 -1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.453 1.007 -0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 6 8.266 0.594 -2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.243 4.038 -4.548 1.00 0.00 H new ATOM 0 HD12 ILE A 6 8.841 4.242 -2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.061 2.688 -3.725 1.00 0.00 H new ATOM 85 N MET A 7 4.569 3.371 -0.340 1.00 0.00 N ATOM 86 CA MET A 7 3.794 4.562 -0.422 1.00 0.00 C ATOM 87 C MET A 7 4.661 5.807 -0.438 1.00 0.00 C ATOM 88 O MET A 7 5.878 5.770 -0.285 1.00 0.00 O ATOM 89 CB MET A 7 2.703 4.568 0.637 1.00 0.00 C ATOM 90 CG MET A 7 2.515 3.309 1.482 1.00 0.00 C ATOM 91 SD MET A 7 1.144 3.431 2.656 1.00 0.00 S ATOM 92 CE MET A 7 -0.285 3.602 1.569 1.00 0.00 C ATOM 0 H MET A 7 5.027 3.238 0.561 1.00 0.00 H new ATOM 0 HA MET A 7 3.279 4.578 -1.383 1.00 0.00 H new ATOM 0 HB2 MET A 7 2.901 5.398 1.315 1.00 0.00 H new ATOM 0 HB3 MET A 7 1.757 4.781 0.140 1.00 0.00 H new ATOM 0 HG2 MET A 7 2.344 2.459 0.821 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.436 3.107 2.029 1.00 0.00 H new ATOM 0 HE1 MET A 7 -1.198 3.420 2.136 1.00 0.00 H new ATOM 0 HE2 MET A 7 -0.310 4.611 1.156 1.00 0.00 H new ATOM 0 HE3 MET A 7 -0.213 2.879 0.756 1.00 0.00 H new ATOM 102 N CYS A 8 4.003 6.914 -0.743 1.00 0.00 N ATOM 103 CA CYS A 8 4.607 8.124 -1.241 1.00 0.00 C ATOM 104 C CYS A 8 3.704 9.299 -0.909 1.00 0.00 C ATOM 105 O CYS A 8 2.492 9.167 -0.696 1.00 0.00 O ATOM 106 CB CYS A 8 4.763 8.047 -2.764 1.00 0.00 C ATOM 107 SG CYS A 8 5.943 6.862 -3.448 1.00 0.00 S ATOM 0 H CYS A 8 2.991 6.990 -0.643 1.00 0.00 H new ATOM 0 HA CYS A 8 5.587 8.249 -0.780 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.784 7.822 -3.187 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.044 9.038 -3.119 1.00 0.00 H new ATOM 112 N LYS A 9 4.318 10.477 -0.886 1.00 0.00 N ATOM 113 CA LYS A 9 3.627 11.745 -0.743 1.00 0.00 C ATOM 114 C LYS A 9 2.700 12.029 -1.925 1.00 0.00 C ATOM 115 O LYS A 9 1.694 12.718 -1.766 1.00 0.00 O ATOM 116 CB LYS A 9 4.678 12.846 -0.602 1.00 0.00 C ATOM 117 CG LYS A 9 5.299 12.787 0.796 1.00 0.00 C ATOM 118 CD LYS A 9 6.695 13.401 0.840 1.00 0.00 C ATOM 119 CE LYS A 9 6.777 14.794 0.200 1.00 0.00 C ATOM 120 NZ LYS A 9 8.098 15.416 0.425 1.00 0.00 N ATOM 0 H LYS A 9 5.330 10.575 -0.968 1.00 0.00 H new ATOM 0 HA LYS A 9 2.993 11.708 0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.452 12.723 -1.360 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.221 13.822 -0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.652 13.311 1.500 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.351 11.749 1.124 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.020 13.468 1.878 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.391 12.735 0.330 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.588 14.715 -0.871 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.997 15.433 0.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.156 16.309 -0.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.224 15.606 1.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.846 14.771 0.098 1.00 0.00 H new ATOM 134 N ASN A 10 3.060 11.571 -3.122 1.00 0.00 N ATOM 135 CA ASN A 10 2.451 12.019 -4.368 1.00 0.00 C ATOM 136 C ASN A 10 2.695 10.990 -5.457 1.00 0.00 C ATOM 137 O ASN A 10 3.423 10.024 -5.254 1.00 0.00 O ATOM 138 CB ASN A 10 3.057 13.355 -4.810 1.00 0.00 C ATOM 139 CG ASN A 10 4.564 13.255 -4.950 1.00 0.00 C ATOM 140 OD1 ASN A 10 5.256 13.037 -3.964 1.00 0.00 O ATOM 141 ND2 ASN A 10 5.097 13.419 -6.149 1.00 0.00 N ATOM 0 H ASN A 10 3.790 10.871 -3.253 1.00 0.00 H new ATOM 0 HA ASN A 10 1.381 12.143 -4.202 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.620 13.658 -5.762 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.807 14.128 -4.084 1.00 0.00 H new ATOM 0 HD21 ASN A 10 6.108 13.365 -6.269 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.497 13.599 -6.954 1.00 0.00 H new ATOM 148 N CYS A 11 2.110 11.248 -6.625 1.00 0.00 N ATOM 149 CA CYS A 11 2.104 10.372 -7.796 1.00 0.00 C ATOM 150 C CYS A 11 3.401 10.443 -8.605 1.00 0.00 C ATOM 151 O CYS A 11 3.433 10.100 -9.789 1.00 0.00 O ATOM 152 CB CYS A 11 0.923 10.793 -8.667 1.00 0.00 C ATOM 153 SG CYS A 11 0.385 9.647 -9.963 1.00 0.00 S ATOM 0 H CYS A 11 1.602 12.117 -6.789 1.00 0.00 H new ATOM 0 HA CYS A 11 2.016 9.338 -7.461 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.073 10.982 -8.012 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.177 11.741 -9.141 1.00 0.00 H new ATOM 158 N ASP A 12 4.482 10.907 -7.986 1.00 0.00 N ATOM 159 CA ASP A 12 5.831 10.879 -8.533 1.00 0.00 C ATOM 160 C ASP A 12 6.858 10.566 -7.432 1.00 0.00 C ATOM 161 O ASP A 12 6.959 11.360 -6.499 1.00 0.00 O ATOM 162 CB ASP A 12 6.114 12.256 -9.115 1.00 0.00 C ATOM 163 CG ASP A 12 7.432 12.271 -9.837 1.00 0.00 C ATOM 164 OD1 ASP A 12 8.449 12.293 -9.127 1.00 0.00 O ATOM 165 OD2 ASP A 12 7.432 12.335 -11.083 1.00 0.00 O ATOM 0 H ASP A 12 4.440 11.327 -7.058 1.00 0.00 H new ATOM 0 HA ASP A 12 5.909 10.104 -9.295 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.315 12.536 -9.802 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.123 12.998 -8.317 1.00 0.00 H new ATOM 170 N PRO A 13 7.629 9.466 -7.499 1.00 0.00 N ATOM 171 CA PRO A 13 8.631 9.133 -6.493 1.00 0.00 C ATOM 172 C PRO A 13 9.883 9.994 -6.645 1.00 0.00 C ATOM 173 O PRO A 13 10.628 10.197 -5.686 1.00 0.00 O ATOM 174 CB PRO A 13 8.997 7.665 -6.740 1.00 0.00 C ATOM 175 CG PRO A 13 8.796 7.530 -8.249 1.00 0.00 C ATOM 176 CD PRO A 13 7.594 8.435 -8.520 1.00 0.00 C ATOM 0 HA PRO A 13 8.239 9.307 -5.491 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.023 7.446 -6.445 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.353 6.986 -6.181 1.00 0.00 H new ATOM 0 HG2 PRO A 13 9.677 7.853 -8.804 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.597 6.498 -8.539 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.652 8.872 -9.517 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.663 7.871 -8.473 1.00 0.00 H new ATOM 184 N ASN A 14 10.149 10.498 -7.846 1.00 0.00 N ATOM 185 CA ASN A 14 11.366 11.241 -8.123 1.00 0.00 C ATOM 186 C ASN A 14 11.338 12.505 -7.275 1.00 0.00 C ATOM 187 O ASN A 14 12.319 12.864 -6.620 1.00 0.00 O ATOM 188 CB ASN A 14 11.419 11.577 -9.619 1.00 0.00 C ATOM 189 CG ASN A 14 12.814 11.970 -10.072 1.00 0.00 C ATOM 190 OD1 ASN A 14 13.579 12.595 -9.338 1.00 0.00 O ATOM 191 ND2 ASN A 14 13.147 11.647 -11.311 1.00 0.00 N ATOM 0 H ASN A 14 9.528 10.402 -8.649 1.00 0.00 H new ATOM 0 HA ASN A 14 12.255 10.659 -7.877 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.082 10.715 -10.195 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.727 12.392 -9.831 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.059 11.917 -11.681 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.492 11.128 -11.896 1.00 0.00 H new ATOM 198 N THR A 15 10.172 13.141 -7.219 1.00 0.00 N ATOM 199 CA THR A 15 9.910 14.326 -6.426 1.00 0.00 C ATOM 200 C THR A 15 9.014 14.025 -5.214 1.00 0.00 C ATOM 201 O THR A 15 8.550 14.940 -4.533 1.00 0.00 O ATOM 202 CB THR A 15 9.261 15.350 -7.367 1.00 0.00 C ATOM 203 OG1 THR A 15 8.081 14.795 -7.918 1.00 0.00 O ATOM 204 CG2 THR A 15 10.185 15.705 -8.536 1.00 0.00 C ATOM 0 H THR A 15 9.356 12.829 -7.746 1.00 0.00 H new ATOM 0 HA THR A 15 10.838 14.715 -6.008 1.00 0.00 H new ATOM 0 HB THR A 15 9.052 16.246 -6.783 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.663 15.447 -8.519 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.692 16.432 -9.181 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.112 16.130 -8.151 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.409 14.805 -9.109 1.00 0.00 H new ATOM 212 N GLY A 16 8.842 12.744 -4.888 1.00 0.00 N ATOM 213 CA GLY A 16 8.084 12.262 -3.748 1.00 0.00 C ATOM 214 C GLY A 16 8.972 11.419 -2.858 1.00 0.00 C ATOM 215 O GLY A 16 9.505 10.390 -3.259 1.00 0.00 O ATOM 0 H GLY A 16 9.247 11.987 -5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.684 13.104 -3.184 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.232 11.673 -4.089 1.00 0.00 H new ATOM 219 N SER A 17 9.138 11.872 -1.629 1.00 0.00 N ATOM 220 CA SER A 17 9.794 11.107 -0.587 1.00 0.00 C ATOM 221 C SER A 17 8.858 9.943 -0.246 1.00 0.00 C ATOM 222 O SER A 17 7.699 10.193 0.094 1.00 0.00 O ATOM 223 CB SER A 17 10.070 12.037 0.607 1.00 0.00 C ATOM 224 OG SER A 17 10.017 13.405 0.195 1.00 0.00 O ATOM 0 H SER A 17 8.818 12.791 -1.324 1.00 0.00 H new ATOM 0 HA SER A 17 10.758 10.701 -0.892 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.336 11.858 1.393 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.050 11.816 1.030 1.00 0.00 H new ATOM 0 HG SER A 17 10.332 13.979 0.924 1.00 0.00 H new ATOM 230 N CYS A 18 9.314 8.698 -0.394 1.00 0.00 N ATOM 231 CA CYS A 18 8.469 7.514 -0.323 1.00 0.00 C ATOM 232 C CYS A 18 8.985 6.591 0.772 1.00 0.00 C ATOM 233 O CYS A 18 10.135 6.749 1.195 1.00 0.00 O ATOM 234 CB CYS A 18 8.524 6.810 -1.676 1.00 0.00 C ATOM 235 SG CYS A 18 7.832 7.677 -3.101 1.00 0.00 S ATOM 0 H CYS A 18 10.296 8.485 -0.569 1.00 0.00 H new ATOM 0 HA CYS A 18 7.440 7.788 -0.090 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.568 6.585 -1.895 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.005 5.856 -1.579 1.00 0.00 H new ATOM 240 N ASP A 19 8.154 5.684 1.296 1.00 0.00 N ATOM 241 CA ASP A 19 8.549 4.710 2.291 1.00 0.00 C ATOM 242 C ASP A 19 8.920 3.361 1.681 1.00 0.00 C ATOM 243 O ASP A 19 8.174 2.389 1.597 1.00 0.00 O ATOM 244 CB ASP A 19 7.549 4.645 3.436 1.00 0.00 C ATOM 245 CG ASP A 19 6.280 3.847 3.207 1.00 0.00 C ATOM 246 OD1 ASP A 19 5.783 3.829 2.071 1.00 0.00 O ATOM 247 OD2 ASP A 19 5.784 3.336 4.238 1.00 0.00 O ATOM 0 H ASP A 19 7.172 5.614 1.028 1.00 0.00 H new ATOM 0 HA ASP A 19 9.479 5.053 2.744 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.058 4.227 4.305 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.264 5.665 3.693 1.00 0.00 H new ATOM 252 N TRP A 20 10.218 3.261 1.454 1.00 0.00 N ATOM 253 CA TRP A 20 10.911 2.052 1.042 1.00 0.00 C ATOM 254 C TRP A 20 11.221 1.231 2.298 1.00 0.00 C ATOM 255 O TRP A 20 12.336 0.748 2.494 1.00 0.00 O ATOM 256 CB TRP A 20 12.177 2.451 0.276 1.00 0.00 C ATOM 257 CG TRP A 20 11.956 3.309 -0.937 1.00 0.00 C ATOM 258 CD1 TRP A 20 11.811 4.652 -0.943 1.00 0.00 C ATOM 259 CD2 TRP A 20 11.862 2.904 -2.335 1.00 0.00 C ATOM 260 NE1 TRP A 20 11.672 5.102 -2.237 1.00 0.00 N ATOM 261 CE2 TRP A 20 11.688 4.067 -3.143 1.00 0.00 C ATOM 262 CE3 TRP A 20 11.894 1.664 -3.001 1.00 0.00 C ATOM 263 CZ2 TRP A 20 11.552 4.005 -4.539 1.00 0.00 C ATOM 264 CZ3 TRP A 20 11.830 1.595 -4.404 1.00 0.00 C ATOM 265 CH2 TRP A 20 11.635 2.756 -5.173 1.00 0.00 C ATOM 0 H TRP A 20 10.847 4.057 1.557 1.00 0.00 H new ATOM 0 HA TRP A 20 10.303 1.439 0.377 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.841 2.981 0.958 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.695 1.543 -0.032 1.00 0.00 H new ATOM 0 HD1 TRP A 20 11.805 5.279 -0.064 1.00 0.00 H new ATOM 0 HE1 TRP A 20 11.570 6.084 -2.493 1.00 0.00 H new ATOM 0 HE3 TRP A 20 11.969 0.753 -2.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 11.386 4.903 -5.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 11.932 0.639 -4.897 1.00 0.00 H new ATOM 0 HH2 TRP A 20 11.549 2.687 -6.247 1.00 0.00 H new ATOM 276 N LYS A 21 10.208 1.076 3.149 1.00 0.00 N ATOM 277 CA LYS A 21 10.206 0.237 4.334 1.00 0.00 C ATOM 278 C LYS A 21 10.248 -1.232 3.903 1.00 0.00 C ATOM 279 O LYS A 21 10.256 -1.528 2.708 1.00 0.00 O ATOM 280 CB LYS A 21 8.892 0.512 5.086 1.00 0.00 C ATOM 281 CG LYS A 21 9.117 0.599 6.597 1.00 0.00 C ATOM 282 CD LYS A 21 9.443 2.049 6.956 1.00 0.00 C ATOM 283 CE LYS A 21 8.124 2.834 7.078 1.00 0.00 C ATOM 284 NZ LYS A 21 8.324 4.294 7.111 1.00 0.00 N ATOM 0 H LYS A 21 9.321 1.561 3.018 1.00 0.00 H new ATOM 0 HA LYS A 21 11.066 0.448 4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.455 1.444 4.728 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.175 -0.280 4.869 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.227 0.267 7.132 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.933 -0.058 6.897 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.996 2.091 7.894 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.079 2.494 6.191 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.477 2.580 6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.605 2.523 7.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.400 4.771 7.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.830 4.555 7.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.883 4.587 6.284 1.00 0.00 H new ATOM 298 N GLN A 22 10.212 -2.164 4.855 1.00 0.00 N ATOM 299 CA GLN A 22 9.776 -3.495 4.473 1.00 0.00 C ATOM 300 C GLN A 22 8.288 -3.317 4.185 1.00 0.00 C ATOM 301 O GLN A 22 7.602 -2.589 4.892 1.00 0.00 O ATOM 302 CB GLN A 22 9.962 -4.483 5.620 1.00 0.00 C ATOM 303 CG GLN A 22 9.564 -5.938 5.327 1.00 0.00 C ATOM 304 CD GLN A 22 10.634 -6.743 4.602 1.00 0.00 C ATOM 305 OE1 GLN A 22 11.379 -7.489 5.233 1.00 0.00 O ATOM 306 NE2 GLN A 22 10.717 -6.647 3.282 1.00 0.00 N ATOM 0 H GLN A 22 10.463 -2.033 5.835 1.00 0.00 H new ATOM 0 HA GLN A 22 10.341 -3.889 3.628 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.010 -4.467 5.921 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.380 -4.133 6.473 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.327 -6.435 6.268 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.654 -5.940 4.727 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.090 -6.022 2.776 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.408 -7.198 2.773 1.00 0.00 H new ATOM 315 N ASN A 23 7.792 -4.024 3.188 1.00 0.00 N ATOM 316 CA ASN A 23 6.475 -3.770 2.602 1.00 0.00 C ATOM 317 C ASN A 23 5.630 -5.036 2.623 1.00 0.00 C ATOM 318 O ASN A 23 4.412 -4.948 2.579 1.00 0.00 O ATOM 319 CB ASN A 23 6.613 -3.255 1.163 1.00 0.00 C ATOM 320 CG ASN A 23 7.598 -2.096 1.033 1.00 0.00 C ATOM 321 OD1 ASN A 23 8.690 -2.286 0.494 1.00 0.00 O ATOM 322 ND2 ASN A 23 7.247 -0.911 1.508 1.00 0.00 N ATOM 0 H ASN A 23 8.291 -4.800 2.753 1.00 0.00 H new ATOM 0 HA ASN A 23 5.979 -3.005 3.200 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.937 -4.073 0.520 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.635 -2.935 0.803 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.888 -0.121 1.433 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.335 -0.788 1.948 1.00 0.00 H new ATOM 329 N TRP A 24 6.305 -6.191 2.656 1.00 0.00 N ATOM 330 CA TRP A 24 5.840 -7.569 2.726 1.00 0.00 C ATOM 331 C TRP A 24 4.760 -7.862 3.781 1.00 0.00 C ATOM 332 O TRP A 24 4.050 -6.976 4.244 1.00 0.00 O ATOM 333 CB TRP A 24 7.070 -8.498 2.811 1.00 0.00 C ATOM 334 CG TRP A 24 7.420 -9.217 1.543 1.00 0.00 C ATOM 335 CD1 TRP A 24 8.682 -9.420 1.116 1.00 0.00 C ATOM 336 CD2 TRP A 24 6.557 -9.846 0.540 1.00 0.00 C ATOM 337 NE1 TRP A 24 8.672 -10.151 -0.051 1.00 0.00 N ATOM 338 CE2 TRP A 24 7.389 -10.414 -0.472 1.00 0.00 C ATOM 339 CE3 TRP A 24 5.163 -10.028 0.388 1.00 0.00 C ATOM 340 CZ2 TRP A 24 6.868 -11.099 -1.577 1.00 0.00 C ATOM 341 CZ3 TRP A 24 4.632 -10.672 -0.744 1.00 0.00 C ATOM 342 CH2 TRP A 24 5.479 -11.215 -1.722 1.00 0.00 C ATOM 0 H TRP A 24 7.324 -6.170 2.631 1.00 0.00 H new ATOM 0 HA TRP A 24 5.291 -7.773 1.807 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.931 -7.906 3.123 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.892 -9.238 3.591 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.570 -9.062 1.615 1.00 0.00 H new ATOM 0 HE1 TRP A 24 9.511 -10.459 -0.542 1.00 0.00 H new ATOM 0 HE3 TRP A 24 4.494 -9.666 1.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 7.531 -11.534 -2.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.561 -10.749 -0.862 1.00 0.00 H new ATOM 0 HH2 TRP A 24 5.063 -11.719 -2.582 1.00 0.00 H new ATOM 353 N ASN A 25 4.604 -9.154 4.079 1.00 0.00 N ATOM 354 CA ASN A 25 4.023 -9.800 5.250 1.00 0.00 C ATOM 355 C ASN A 25 4.537 -9.144 6.537 1.00 0.00 C ATOM 356 O ASN A 25 5.215 -9.765 7.353 1.00 0.00 O ATOM 357 CB ASN A 25 4.393 -11.297 5.238 1.00 0.00 C ATOM 358 CG ASN A 25 3.799 -12.073 4.066 1.00 0.00 C ATOM 359 OD1 ASN A 25 2.742 -11.724 3.548 1.00 0.00 O ATOM 360 ND2 ASN A 25 4.462 -13.125 3.607 1.00 0.00 N ATOM 0 H ASN A 25 4.925 -9.859 3.416 1.00 0.00 H new ATOM 0 HA ASN A 25 2.939 -9.689 5.218 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.478 -11.392 5.211 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.056 -11.752 6.170 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.095 -13.654 2.816 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.339 -13.406 4.045 1.00 0.00 H new ATOM 367 N THR A 26 4.214 -7.872 6.691 1.00 0.00 N ATOM 368 CA THR A 26 4.551 -6.983 7.803 1.00 0.00 C ATOM 369 C THR A 26 3.345 -6.095 8.134 1.00 0.00 C ATOM 370 O THR A 26 2.316 -6.192 7.480 1.00 0.00 O ATOM 371 CB THR A 26 5.863 -6.218 7.516 1.00 0.00 C ATOM 372 OG1 THR A 26 6.180 -5.264 8.514 1.00 0.00 O ATOM 373 CG2 THR A 26 5.892 -5.494 6.171 1.00 0.00 C ATOM 0 H THR A 26 3.662 -7.387 5.983 1.00 0.00 H new ATOM 0 HA THR A 26 4.758 -7.559 8.705 1.00 0.00 H new ATOM 0 HB THR A 26 6.605 -7.017 7.504 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.018 -4.813 8.281 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.848 -4.984 6.053 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.764 -6.217 5.366 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.084 -4.763 6.134 1.00 0.00 H new ATOM 381 N CYS A 27 3.431 -5.283 9.184 1.00 0.00 N ATOM 382 CA CYS A 27 2.334 -4.602 9.828 1.00 0.00 C ATOM 383 C CYS A 27 2.805 -3.192 10.180 1.00 0.00 C ATOM 384 O CYS A 27 3.020 -2.843 11.344 1.00 0.00 O ATOM 385 CB CYS A 27 1.911 -5.437 11.038 1.00 0.00 C ATOM 386 SG CYS A 27 0.641 -4.758 12.125 1.00 0.00 S ATOM 0 H CYS A 27 4.326 -5.077 9.627 1.00 0.00 H new ATOM 0 HA CYS A 27 1.456 -4.497 9.191 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.559 -6.402 10.673 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.799 -5.629 11.640 1.00 0.00 H new ATOM 391 N VAL A 28 3.045 -2.398 9.139 1.00 0.00 N ATOM 392 CA VAL A 28 3.811 -1.158 9.204 1.00 0.00 C ATOM 393 C VAL A 28 2.876 -0.039 9.663 1.00 0.00 C ATOM 394 O VAL A 28 1.700 -0.073 9.314 1.00 0.00 O ATOM 395 CB VAL A 28 4.376 -0.862 7.799 1.00 0.00 C ATOM 396 CG1 VAL A 28 5.281 0.376 7.773 1.00 0.00 C ATOM 397 CG2 VAL A 28 5.187 -2.047 7.258 1.00 0.00 C ATOM 0 H VAL A 28 2.702 -2.606 8.201 1.00 0.00 H new ATOM 0 HA VAL A 28 4.639 -1.237 9.908 1.00 0.00 H new ATOM 0 HB VAL A 28 3.503 -0.680 7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.650 0.536 6.760 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.713 1.249 8.094 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.125 0.224 8.446 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.570 -1.804 6.267 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.021 -2.253 7.929 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.547 -2.927 7.194 1.00 0.00 H new ATOM 407 N GLY A 29 3.363 0.926 10.448 1.00 0.00 N ATOM 408 CA GLY A 29 2.601 2.092 10.849 1.00 0.00 C ATOM 409 C GLY A 29 2.655 3.151 9.758 1.00 0.00 C ATOM 410 O GLY A 29 3.726 3.421 9.218 1.00 0.00 O ATOM 0 H GLY A 29 4.311 0.911 10.823 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.566 1.811 11.043 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.001 2.496 11.779 1.00 0.00 H new ATOM 414 N ILE A 30 1.517 3.737 9.410 1.00 0.00 N ATOM 415 CA ILE A 30 1.349 4.529 8.194 1.00 0.00 C ATOM 416 C ILE A 30 0.561 5.806 8.482 1.00 0.00 C ATOM 417 O ILE A 30 -0.089 5.932 9.520 1.00 0.00 O ATOM 418 CB ILE A 30 0.675 3.643 7.127 1.00 0.00 C ATOM 419 CG1 ILE A 30 1.548 2.427 6.766 1.00 0.00 C ATOM 420 CG2 ILE A 30 0.267 4.388 5.849 1.00 0.00 C ATOM 421 CD1 ILE A 30 2.873 2.762 6.072 1.00 0.00 C ATOM 0 H ILE A 30 0.669 3.676 9.973 1.00 0.00 H new ATOM 0 HA ILE A 30 2.318 4.854 7.814 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.249 3.305 7.597 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.764 1.870 7.678 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.973 1.766 6.118 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.199 3.690 5.154 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.441 5.178 6.099 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.151 4.826 5.385 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.415 1.841 5.859 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.672 3.289 5.139 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.475 3.395 6.724 1.00 0.00 H new ATOM 433 N GLY A 31 0.652 6.770 7.567 1.00 0.00 N ATOM 434 CA GLY A 31 -0.051 8.034 7.595 1.00 0.00 C ATOM 435 C GLY A 31 0.943 9.130 7.236 1.00 0.00 C ATOM 436 O GLY A 31 1.898 8.882 6.507 1.00 0.00 O ATOM 0 H GLY A 31 1.252 6.677 6.747 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.881 8.025 6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.476 8.213 8.583 1.00 0.00 H new ATOM 440 N ALA A 32 0.744 10.320 7.786 1.00 0.00 N ATOM 441 CA ALA A 32 1.636 11.468 7.725 1.00 0.00 C ATOM 442 C ALA A 32 2.097 11.888 6.338 1.00 0.00 C ATOM 443 O ALA A 32 3.165 11.499 5.872 1.00 0.00 O ATOM 444 CB ALA A 32 2.804 11.314 8.704 1.00 0.00 C ATOM 0 H ALA A 32 -0.100 10.521 8.322 1.00 0.00 H new ATOM 0 HA ALA A 32 1.017 12.307 8.041 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.453 12.187 8.636 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.418 11.227 9.720 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.373 10.418 8.454 1.00 0.00 H new ATOM 450 N ASN A 33 1.290 12.755 5.717 1.00 0.00 N ATOM 451 CA ASN A 33 1.513 13.398 4.422 1.00 0.00 C ATOM 452 C ASN A 33 1.806 12.409 3.296 1.00 0.00 C ATOM 453 O ASN A 33 2.234 12.805 2.220 1.00 0.00 O ATOM 454 CB ASN A 33 2.470 14.606 4.518 1.00 0.00 C ATOM 455 CG ASN A 33 3.896 14.417 3.992 1.00 0.00 C ATOM 456 OD1 ASN A 33 4.368 15.214 3.185 1.00 0.00 O ATOM 457 ND2 ASN A 33 4.634 13.433 4.487 1.00 0.00 N ATOM 0 H ASN A 33 0.406 13.044 6.135 1.00 0.00 H new ATOM 0 HA ASN A 33 0.563 13.838 4.119 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.019 15.438 3.977 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.533 14.904 5.565 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.607 13.330 4.199 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.229 12.779 5.156 1.00 0.00 H new ATOM 464 N VAL A 34 1.494 11.136 3.539 1.00 0.00 N ATOM 465 CA VAL A 34 1.597 10.051 2.570 1.00 0.00 C ATOM 466 C VAL A 34 0.185 9.526 2.300 1.00 0.00 C ATOM 467 O VAL A 34 -0.515 9.133 3.237 1.00 0.00 O ATOM 468 CB VAL A 34 2.555 8.990 3.135 1.00 0.00 C ATOM 469 CG1 VAL A 34 2.416 7.622 2.472 1.00 0.00 C ATOM 470 CG2 VAL A 34 4.007 9.468 3.003 1.00 0.00 C ATOM 0 H VAL A 34 1.151 10.824 4.448 1.00 0.00 H new ATOM 0 HA VAL A 34 2.010 10.374 1.614 1.00 0.00 H new ATOM 0 HB VAL A 34 2.281 8.865 4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.123 6.926 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.401 7.250 2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.624 7.712 1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.678 8.709 3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.240 9.637 1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.136 10.398 3.557 1.00 0.00 H new ATOM 480 N HIS A 35 -0.270 9.587 1.044 1.00 0.00 N ATOM 481 CA HIS A 35 -1.563 9.048 0.620 1.00 0.00 C ATOM 482 C HIS A 35 -1.534 8.498 -0.806 1.00 0.00 C ATOM 483 O HIS A 35 -2.571 8.418 -1.468 1.00 0.00 O ATOM 484 CB HIS A 35 -2.683 10.078 0.842 1.00 0.00 C ATOM 485 CG HIS A 35 -2.668 11.320 -0.015 1.00 0.00 C ATOM 486 ND1 HIS A 35 -3.775 11.832 -0.652 1.00 0.00 N ATOM 487 CD2 HIS A 35 -1.651 12.224 -0.177 1.00 0.00 C ATOM 488 CE1 HIS A 35 -3.431 12.999 -1.209 1.00 0.00 C ATOM 489 NE2 HIS A 35 -2.139 13.277 -0.962 1.00 0.00 N ATOM 0 H HIS A 35 0.258 10.018 0.285 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.784 8.188 1.252 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.638 9.575 0.688 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.651 10.389 1.886 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.653 12.140 0.228 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.098 13.630 -1.778 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -1.617 14.093 -1.283 1.00 0.00 H new ATOM 497 N TRP A 36 -0.358 8.109 -1.288 1.00 0.00 N ATOM 498 CA TRP A 36 -0.219 7.503 -2.599 1.00 0.00 C ATOM 499 C TRP A 36 0.604 6.251 -2.438 1.00 0.00 C ATOM 500 O TRP A 36 1.759 6.342 -2.062 1.00 0.00 O ATOM 501 CB TRP A 36 0.484 8.474 -3.536 1.00 0.00 C ATOM 502 CG TRP A 36 -0.330 9.687 -3.831 1.00 0.00 C ATOM 503 CD1 TRP A 36 -0.554 10.721 -2.994 1.00 0.00 C ATOM 504 CD2 TRP A 36 -1.164 9.923 -4.993 1.00 0.00 C ATOM 505 NE1 TRP A 36 -1.479 11.573 -3.552 1.00 0.00 N ATOM 506 CE2 TRP A 36 -1.894 11.130 -4.792 1.00 0.00 C ATOM 507 CE3 TRP A 36 -1.400 9.205 -6.180 1.00 0.00 C ATOM 508 CZ2 TRP A 36 -2.812 11.609 -5.737 1.00 0.00 C ATOM 509 CZ3 TRP A 36 -2.325 9.673 -7.131 1.00 0.00 C ATOM 510 CH2 TRP A 36 -3.010 10.885 -6.925 1.00 0.00 C ATOM 0 H TRP A 36 0.521 8.206 -0.779 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.195 7.262 -3.021 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.432 8.778 -3.092 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.719 7.964 -4.470 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.080 10.859 -2.033 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.816 12.426 -3.105 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.865 8.285 -6.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.360 12.522 -5.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.511 9.098 -8.026 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.687 11.258 -7.679 1.00 0.00 H new ATOM 521 N MET A 37 0.033 5.099 -2.733 1.00 0.00 N ATOM 522 CA MET A 37 0.812 3.892 -2.908 1.00 0.00 C ATOM 523 C MET A 37 1.303 3.941 -4.348 1.00 0.00 C ATOM 524 O MET A 37 0.629 4.502 -5.210 1.00 0.00 O ATOM 525 CB MET A 37 -0.032 2.659 -2.572 1.00 0.00 C ATOM 526 CG MET A 37 0.671 1.322 -2.835 1.00 0.00 C ATOM 527 SD MET A 37 -0.348 -0.147 -2.541 1.00 0.00 S ATOM 528 CE MET A 37 -0.695 0.019 -0.776 1.00 0.00 C ATOM 0 H MET A 37 -0.972 4.975 -2.857 1.00 0.00 H new ATOM 0 HA MET A 37 1.666 3.824 -2.234 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.319 2.705 -1.521 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.952 2.693 -3.155 1.00 0.00 H new ATOM 0 HG2 MET A 37 1.015 1.306 -3.869 1.00 0.00 H new ATOM 0 HG3 MET A 37 1.557 1.264 -2.203 1.00 0.00 H new ATOM 0 HE1 MET A 37 -1.192 -0.882 -0.417 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.240 0.159 -0.233 1.00 0.00 H new ATOM 0 HE3 MET A 37 -1.342 0.880 -0.612 1.00 0.00 H new ATOM 538 N VAL A 38 2.491 3.423 -4.615 1.00 0.00 N ATOM 539 CA VAL A 38 3.073 3.421 -5.941 1.00 0.00 C ATOM 540 C VAL A 38 3.765 2.071 -6.070 1.00 0.00 C ATOM 541 O VAL A 38 4.359 1.606 -5.092 1.00 0.00 O ATOM 542 CB VAL A 38 4.036 4.608 -6.095 1.00 0.00 C ATOM 543 CG1 VAL A 38 4.413 4.762 -7.565 1.00 0.00 C ATOM 544 CG2 VAL A 38 3.421 5.941 -5.640 1.00 0.00 C ATOM 0 H VAL A 38 3.082 2.988 -3.907 1.00 0.00 H new ATOM 0 HA VAL A 38 2.335 3.543 -6.734 1.00 0.00 H new ATOM 0 HB VAL A 38 4.900 4.391 -5.467 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.096 5.603 -7.679 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.898 3.850 -7.914 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.514 4.942 -8.154 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.149 6.742 -5.773 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.534 6.155 -6.236 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.144 5.874 -4.588 1.00 0.00 H new ATOM 554 N THR A 39 3.597 1.380 -7.200 1.00 0.00 N ATOM 555 CA THR A 39 4.104 0.017 -7.290 1.00 0.00 C ATOM 556 C THR A 39 4.606 -0.393 -8.678 1.00 0.00 C ATOM 557 O THR A 39 4.146 0.086 -9.717 1.00 0.00 O ATOM 558 CB THR A 39 3.074 -0.952 -6.679 1.00 0.00 C ATOM 559 OG1 THR A 39 3.640 -2.204 -6.350 1.00 0.00 O ATOM 560 CG2 THR A 39 1.909 -1.219 -7.619 1.00 0.00 C ATOM 0 H THR A 39 3.130 1.730 -8.037 1.00 0.00 H new ATOM 0 HA THR A 39 5.017 -0.034 -6.697 1.00 0.00 H new ATOM 0 HB THR A 39 2.724 -0.452 -5.776 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.610 -2.109 -6.252 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.209 -1.907 -7.145 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.400 -0.282 -7.843 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.281 -1.660 -8.544 1.00 0.00 H new ATOM 568 N GLY A 40 5.520 -1.362 -8.654 1.00 0.00 N ATOM 569 CA GLY A 40 6.112 -2.066 -9.771 1.00 0.00 C ATOM 570 C GLY A 40 7.222 -1.281 -10.435 1.00 0.00 C ATOM 571 O GLY A 40 7.295 -0.059 -10.347 1.00 0.00 O ATOM 0 H GLY A 40 5.893 -1.699 -7.766 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.505 -3.022 -9.425 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.339 -2.287 -10.507 1.00 0.00 H new ATOM 626 N LYS A 46 3.557 -8.381 -12.488 1.00 0.00 N ATOM 627 CA LYS A 46 2.131 -8.180 -12.446 1.00 0.00 C ATOM 628 C LYS A 46 1.765 -7.560 -11.095 1.00 0.00 C ATOM 629 O LYS A 46 2.652 -7.124 -10.358 1.00 0.00 O ATOM 630 CB LYS A 46 1.391 -9.456 -12.824 1.00 0.00 C ATOM 631 CG LYS A 46 1.948 -10.022 -14.143 1.00 0.00 C ATOM 632 CD LYS A 46 1.451 -11.442 -14.430 1.00 0.00 C ATOM 633 CE LYS A 46 2.370 -12.521 -13.829 1.00 0.00 C ATOM 634 NZ LYS A 46 2.458 -12.510 -12.354 1.00 0.00 N ATOM 0 HA LYS A 46 1.801 -7.466 -13.201 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.496 -10.195 -12.030 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.326 -9.250 -12.929 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.660 -9.367 -14.965 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.037 -10.023 -14.102 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.445 -11.560 -14.026 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.381 -11.588 -15.508 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.015 -13.500 -14.150 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.372 -12.395 -14.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.879 -13.402 -12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.052 -11.713 -12.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.505 -12.407 -11.950 1.00 0.00 H new ATOM 648 N GLN A 47 0.470 -7.414 -10.815 1.00 0.00 N ATOM 649 CA GLN A 47 0.042 -6.549 -9.730 1.00 0.00 C ATOM 650 C GLN A 47 0.583 -6.981 -8.371 1.00 0.00 C ATOM 651 O GLN A 47 0.664 -8.171 -8.071 1.00 0.00 O ATOM 652 CB GLN A 47 -1.486 -6.382 -9.723 1.00 0.00 C ATOM 653 CG GLN A 47 -2.281 -7.662 -9.439 1.00 0.00 C ATOM 654 CD GLN A 47 -3.780 -7.370 -9.375 1.00 0.00 C ATOM 655 OE1 GLN A 47 -4.202 -6.218 -9.340 1.00 0.00 O ATOM 656 NE2 GLN A 47 -4.614 -8.396 -9.353 1.00 0.00 N ATOM 0 H GLN A 47 -0.286 -7.878 -11.319 1.00 0.00 H new ATOM 0 HA GLN A 47 0.480 -5.569 -9.919 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.750 -5.635 -8.974 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.797 -5.987 -10.690 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.083 -8.398 -10.218 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.951 -8.098 -8.496 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.251 -9.349 -9.383 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.620 -8.235 -9.307 1.00 0.00 H new ATOM 665 N GLY A 48 0.898 -5.993 -7.537 1.00 0.00 N ATOM 666 CA GLY A 48 1.167 -6.208 -6.131 1.00 0.00 C ATOM 667 C GLY A 48 -0.098 -5.812 -5.393 1.00 0.00 C ATOM 668 O GLY A 48 -0.776 -4.870 -5.816 1.00 0.00 O ATOM 0 H GLY A 48 0.972 -5.018 -7.826 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.420 -7.250 -5.938 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.015 -5.608 -5.801 1.00 0.00 H new ATOM 672 N CYS A 49 -0.450 -6.515 -4.322 1.00 0.00 N ATOM 673 CA CYS A 49 -1.630 -6.184 -3.565 1.00 0.00 C ATOM 674 C CYS A 49 -1.270 -6.183 -2.103 1.00 0.00 C ATOM 675 O CYS A 49 -0.308 -6.830 -1.694 1.00 0.00 O ATOM 676 CB CYS A 49 -2.739 -7.198 -3.831 1.00 0.00 C ATOM 677 SG CYS A 49 -3.270 -7.470 -5.541 1.00 0.00 S ATOM 0 H CYS A 49 0.072 -7.316 -3.966 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.995 -5.201 -3.863 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.414 -8.157 -3.428 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.613 -6.891 -3.257 1.00 0.00 H new ATOM 682 N ALA A 50 -2.040 -5.452 -1.309 1.00 0.00 N ATOM 683 CA ALA A 50 -1.833 -5.309 0.111 1.00 0.00 C ATOM 684 C ALA A 50 -3.163 -5.431 0.828 1.00 0.00 C ATOM 685 O ALA A 50 -4.194 -5.012 0.306 1.00 0.00 O ATOM 686 CB ALA A 50 -1.186 -3.951 0.399 1.00 0.00 C ATOM 0 H ALA A 50 -2.847 -4.931 -1.652 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.168 -6.094 0.471 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.030 -3.843 1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.227 -3.888 -0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.840 -3.154 0.046 1.00 0.00 H new ATOM 692 N THR A 51 -3.129 -5.974 2.038 1.00 0.00 N ATOM 693 CA THR A 51 -4.202 -5.734 2.976 1.00 0.00 C ATOM 694 C THR A 51 -3.829 -4.404 3.612 1.00 0.00 C ATOM 695 O THR A 51 -2.819 -4.321 4.309 1.00 0.00 O ATOM 696 CB THR A 51 -4.274 -6.845 4.031 1.00 0.00 C ATOM 697 OG1 THR A 51 -4.394 -8.119 3.428 1.00 0.00 O ATOM 698 CG2 THR A 51 -5.478 -6.605 4.946 1.00 0.00 C ATOM 0 H THR A 51 -2.380 -6.574 2.383 1.00 0.00 H new ATOM 0 HA THR A 51 -5.182 -5.718 2.500 1.00 0.00 H new ATOM 0 HB THR A 51 -3.351 -6.823 4.610 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.436 -8.808 4.124 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.529 -7.395 5.695 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.371 -5.640 5.442 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.392 -6.609 4.353 1.00 0.00 H new ATOM 706 N ILE A 52 -4.590 -3.358 3.328 1.00 0.00 N ATOM 707 CA ILE A 52 -4.516 -2.122 4.077 1.00 0.00 C ATOM 708 C ILE A 52 -5.387 -2.306 5.326 1.00 0.00 C ATOM 709 O ILE A 52 -6.326 -3.105 5.300 1.00 0.00 O ATOM 710 CB ILE A 52 -4.942 -0.966 3.153 1.00 0.00 C ATOM 711 CG1 ILE A 52 -3.894 -0.794 2.034 1.00 0.00 C ATOM 712 CG2 ILE A 52 -5.136 0.320 3.953 1.00 0.00 C ATOM 713 CD1 ILE A 52 -4.144 0.410 1.118 1.00 0.00 C ATOM 0 H ILE A 52 -5.274 -3.346 2.572 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.511 -1.871 4.417 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.901 -1.201 2.692 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.908 -0.693 2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.874 -1.700 1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.437 1.124 3.282 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.910 0.167 4.706 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.200 0.588 4.444 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.363 0.459 0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.114 0.303 0.633 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.133 1.326 1.709 1.00 0.00 H new ATOM 725 N TRP A 53 -5.069 -1.612 6.422 1.00 0.00 N ATOM 726 CA TRP A 53 -5.922 -1.529 7.596 1.00 0.00 C ATOM 727 C TRP A 53 -6.177 -0.081 7.968 1.00 0.00 C ATOM 728 O TRP A 53 -5.326 0.799 7.800 1.00 0.00 O ATOM 729 CB TRP A 53 -5.318 -2.225 8.810 1.00 0.00 C ATOM 730 CG TRP A 53 -5.479 -3.706 8.888 1.00 0.00 C ATOM 731 CD1 TRP A 53 -6.444 -4.393 9.545 1.00 0.00 C ATOM 732 CD2 TRP A 53 -4.605 -4.704 8.313 1.00 0.00 C ATOM 733 NE1 TRP A 53 -6.179 -5.744 9.459 1.00 0.00 N ATOM 734 CE2 TRP A 53 -5.064 -5.995 8.694 1.00 0.00 C ATOM 735 CE3 TRP A 53 -3.449 -4.633 7.520 1.00 0.00 C ATOM 736 CZ2 TRP A 53 -4.404 -7.168 8.308 1.00 0.00 C ATOM 737 CZ3 TRP A 53 -2.781 -5.798 7.126 1.00 0.00 C ATOM 738 CH2 TRP A 53 -3.249 -7.064 7.517 1.00 0.00 C ATOM 0 H TRP A 53 -4.199 -1.087 6.514 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.851 -2.032 7.329 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.252 -1.998 8.836 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.759 -1.788 9.706 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -7.288 -3.953 10.056 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.741 -6.468 9.908 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -3.071 -3.670 7.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.777 -8.135 8.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -1.895 -5.723 6.514 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.721 -7.955 7.210 1.00 0.00 H new ATOM 749 N GLU A 54 -7.347 0.132 8.561 1.00 0.00 N ATOM 750 CA GLU A 54 -7.639 1.334 9.286 1.00 0.00 C ATOM 751 C GLU A 54 -6.684 1.400 10.467 1.00 0.00 C ATOM 752 O GLU A 54 -5.946 2.368 10.626 1.00 0.00 O ATOM 753 CB GLU A 54 -9.096 1.180 9.749 1.00 0.00 C ATOM 754 CG GLU A 54 -9.602 2.197 10.774 1.00 0.00 C ATOM 755 CD GLU A 54 -10.660 1.564 11.646 1.00 0.00 C ATOM 756 OE1 GLU A 54 -11.397 0.690 11.151 1.00 0.00 O ATOM 757 OE2 GLU A 54 -10.706 1.923 12.837 1.00 0.00 O ATOM 0 H GLU A 54 -8.116 -0.538 8.544 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.520 2.247 8.702 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.740 1.233 8.871 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.215 0.182 10.172 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.774 2.549 11.389 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.013 3.068 10.263 1.00 0.00 H new ATOM 764 N GLY A 55 -6.772 0.401 11.335 1.00 0.00 N ATOM 765 CA GLY A 55 -6.296 0.489 12.692 1.00 0.00 C ATOM 766 C GLY A 55 -4.786 0.543 12.780 1.00 0.00 C ATOM 767 O GLY A 55 -4.058 -0.002 11.953 1.00 0.00 O ATOM 0 H GLY A 55 -7.184 -0.503 11.104 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.715 1.378 13.163 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.658 -0.371 13.256 1.00 0.00 H new ATOM 771 N SER A 56 -4.312 1.236 13.803 1.00 0.00 N ATOM 772 CA SER A 56 -2.927 1.622 13.950 1.00 0.00 C ATOM 773 C SER A 56 -2.120 0.449 14.514 1.00 0.00 C ATOM 774 O SER A 56 -1.734 0.439 15.683 1.00 0.00 O ATOM 775 CB SER A 56 -2.879 2.908 14.794 1.00 0.00 C ATOM 776 OG SER A 56 -4.107 3.634 14.685 1.00 0.00 O ATOM 0 H SER A 56 -4.901 1.552 14.573 1.00 0.00 H new ATOM 0 HA SER A 56 -2.458 1.854 12.994 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.692 2.656 15.838 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.050 3.534 14.463 1.00 0.00 H new ATOM 0 HG SER A 56 -4.056 4.447 15.230 1.00 0.00 H new ATOM 782 N GLY A 57 -1.912 -0.561 13.671 1.00 0.00 N ATOM 783 CA GLY A 57 -1.162 -1.756 13.972 1.00 0.00 C ATOM 784 C GLY A 57 -1.801 -2.974 13.327 1.00 0.00 C ATOM 785 O GLY A 57 -1.959 -3.998 13.983 1.00 0.00 O ATOM 0 H GLY A 57 -2.282 -0.558 12.721 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.138 -1.646 13.616 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.111 -1.896 15.052 1.00 0.00 H new ATOM 789 N CYS A 58 -2.159 -2.855 12.047 1.00 0.00 N ATOM 790 CA CYS A 58 -2.916 -3.833 11.275 1.00 0.00 C ATOM 791 C CYS A 58 -4.096 -4.381 12.075 1.00 0.00 C ATOM 792 O CYS A 58 -4.289 -5.589 12.186 1.00 0.00 O ATOM 793 CB CYS A 58 -2.035 -4.913 10.626 1.00 0.00 C ATOM 794 SG CYS A 58 -1.037 -5.949 11.709 1.00 0.00 S ATOM 0 H CYS A 58 -1.915 -2.032 11.497 1.00 0.00 H new ATOM 0 HA CYS A 58 -3.347 -3.306 10.424 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.683 -5.567 10.042 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.364 -4.419 9.924 1.00 0.00 H new ATOM 799 N VAL A 59 -4.885 -3.470 12.651 1.00 0.00 N ATOM 800 CA VAL A 59 -6.075 -3.727 13.435 1.00 0.00 C ATOM 801 C VAL A 59 -7.216 -2.915 12.827 1.00 0.00 C ATOM 802 O VAL A 59 -7.005 -2.205 11.848 1.00 0.00 O ATOM 803 CB VAL A 59 -5.800 -3.422 14.918 1.00 0.00 C ATOM 804 CG1 VAL A 59 -4.979 -4.555 15.539 1.00 0.00 C ATOM 805 CG2 VAL A 59 -5.068 -2.096 15.168 1.00 0.00 C ATOM 0 H VAL A 59 -4.689 -2.472 12.571 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.368 -4.777 13.407 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.782 -3.334 15.383 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.788 -4.333 16.589 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.533 -5.491 15.461 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.031 -4.650 15.010 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.915 -1.961 16.239 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.102 -2.113 14.663 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.666 -1.271 14.780 1.00 0.00 H new ATOM 815 N GLY A 60 -8.433 -3.036 13.340 1.00 0.00 N ATOM 816 CA GLY A 60 -9.556 -2.277 12.817 1.00 0.00 C ATOM 817 C GLY A 60 -10.066 -2.954 11.558 1.00 0.00 C ATOM 818 O GLY A 60 -9.878 -4.162 11.394 1.00 0.00 O ATOM 0 H GLY A 60 -8.666 -3.653 14.118 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.350 -2.219 13.561 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.250 -1.254 12.597 1.00 0.00 H new ATOM 822 N ARG A 61 -10.712 -2.187 10.684 1.00 0.00 N ATOM 823 CA ARG A 61 -11.171 -2.714 9.412 1.00 0.00 C ATOM 824 C ARG A 61 -9.983 -2.856 8.507 1.00 0.00 C ATOM 825 O ARG A 61 -8.960 -2.203 8.721 1.00 0.00 O ATOM 826 CB ARG A 61 -12.208 -1.790 8.778 1.00 0.00 C ATOM 827 CG ARG A 61 -13.602 -2.089 9.326 1.00 0.00 C ATOM 828 CD ARG A 61 -14.520 -0.951 8.884 1.00 0.00 C ATOM 829 NE ARG A 61 -15.944 -1.315 8.895 1.00 0.00 N ATOM 830 CZ ARG A 61 -16.911 -0.396 9.042 1.00 0.00 C ATOM 831 NH1 ARG A 61 -16.744 0.624 9.879 1.00 0.00 N ATOM 832 NH2 ARG A 61 -18.051 -0.484 8.360 1.00 0.00 N ATOM 0 H ARG A 61 -10.927 -1.202 10.837 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.646 -3.682 9.569 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.948 -0.751 8.979 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.202 -1.917 7.695 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.966 -3.045 8.948 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.579 -2.164 10.413 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.366 -0.094 9.540 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.240 -0.637 7.878 1.00 0.00 H new ATOM 0 HE ARG A 61 -16.205 -2.295 8.788 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.879 0.710 10.412 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -17.481 1.320 9.988 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -18.200 -1.259 7.714 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.775 0.223 8.484 1.00 0.00 H new ATOM 846 N SER A 62 -10.146 -3.695 7.491 1.00 0.00 N ATOM 847 CA SER A 62 -9.157 -3.837 6.463 1.00 0.00 C ATOM 848 C SER A 62 -9.761 -3.676 5.077 1.00 0.00 C ATOM 849 O SER A 62 -10.974 -3.808 4.898 1.00 0.00 O ATOM 850 CB SER A 62 -8.341 -5.108 6.690 1.00 0.00 C ATOM 851 OG SER A 62 -9.120 -6.192 7.170 1.00 0.00 O ATOM 0 H SER A 62 -10.967 -4.287 7.369 1.00 0.00 H new ATOM 0 HA SER A 62 -8.437 -3.021 6.523 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.864 -5.398 5.754 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.544 -4.898 7.403 1.00 0.00 H new ATOM 0 HG SER A 62 -8.547 -6.977 7.295 1.00 0.00 H new ATOM 857 N THR A 63 -8.913 -3.304 4.128 1.00 0.00 N ATOM 858 CA THR A 63 -9.254 -2.962 2.767 1.00 0.00 C ATOM 859 C THR A 63 -8.232 -3.656 1.864 1.00 0.00 C ATOM 860 O THR A 63 -7.049 -3.323 1.875 1.00 0.00 O ATOM 861 CB THR A 63 -9.249 -1.428 2.633 1.00 0.00 C ATOM 862 OG1 THR A 63 -8.410 -0.826 3.609 1.00 0.00 O ATOM 863 CG2 THR A 63 -10.667 -0.883 2.833 1.00 0.00 C ATOM 0 H THR A 63 -7.911 -3.231 4.305 1.00 0.00 H new ATOM 0 HA THR A 63 -10.249 -3.298 2.476 1.00 0.00 H new ATOM 0 HB THR A 63 -8.876 -1.189 1.637 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.960 -0.334 4.254 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.656 0.203 2.737 1.00 0.00 H new ATOM 0 HG22 THR A 63 -11.330 -1.308 2.079 1.00 0.00 H new ATOM 0 HG23 THR A 63 -11.025 -1.156 3.826 1.00 0.00 H new ATOM 871 N THR A 64 -8.665 -4.666 1.112 1.00 0.00 N ATOM 872 CA THR A 64 -7.819 -5.330 0.139 1.00 0.00 C ATOM 873 C THR A 64 -7.556 -4.314 -0.980 1.00 0.00 C ATOM 874 O THR A 64 -8.468 -3.929 -1.713 1.00 0.00 O ATOM 875 CB THR A 64 -8.496 -6.642 -0.293 1.00 0.00 C ATOM 876 OG1 THR A 64 -7.608 -7.549 -0.928 1.00 0.00 O ATOM 877 CG2 THR A 64 -9.717 -6.419 -1.179 1.00 0.00 C ATOM 0 H THR A 64 -9.612 -5.042 1.164 1.00 0.00 H new ATOM 0 HA THR A 64 -6.847 -5.635 0.526 1.00 0.00 H new ATOM 0 HB THR A 64 -8.828 -7.093 0.642 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.094 -8.362 -1.177 1.00 0.00 H new ATOM 0 HG21 THR A 64 -10.150 -7.382 -1.450 1.00 0.00 H new ATOM 0 HG22 THR A 64 -10.456 -5.828 -0.638 1.00 0.00 H new ATOM 0 HG23 THR A 64 -9.419 -5.888 -2.083 1.00 0.00 H new ATOM 885 N MET A 65 -6.336 -3.803 -1.059 1.00 0.00 N ATOM 886 CA MET A 65 -5.930 -2.818 -2.046 1.00 0.00 C ATOM 887 C MET A 65 -4.902 -3.422 -2.999 1.00 0.00 C ATOM 888 O MET A 65 -3.746 -3.625 -2.631 1.00 0.00 O ATOM 889 CB MET A 65 -5.426 -1.539 -1.366 1.00 0.00 C ATOM 890 CG MET A 65 -5.578 -0.359 -2.336 1.00 0.00 C ATOM 891 SD MET A 65 -7.302 0.123 -2.636 1.00 0.00 S ATOM 892 CE MET A 65 -7.102 1.190 -4.069 1.00 0.00 C ATOM 0 H MET A 65 -5.585 -4.069 -0.423 1.00 0.00 H new ATOM 0 HA MET A 65 -6.795 -2.531 -2.643 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.992 -1.351 -0.454 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.382 -1.654 -1.075 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.034 0.498 -1.939 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.112 -0.619 -3.287 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.076 1.570 -4.379 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.452 2.026 -3.812 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.657 0.622 -4.886 1.00 0.00 H new ATOM 902 N CYS A 66 -5.321 -3.710 -4.227 1.00 0.00 N ATOM 903 CA CYS A 66 -4.437 -4.124 -5.308 1.00 0.00 C ATOM 904 C CYS A 66 -4.019 -2.905 -6.111 1.00 0.00 C ATOM 905 O CYS A 66 -4.737 -1.904 -6.138 1.00 0.00 O ATOM 906 CB CYS A 66 -5.135 -5.120 -6.228 1.00 0.00 C ATOM 907 SG CYS A 66 -5.251 -6.809 -5.606 1.00 0.00 S ATOM 0 H CYS A 66 -6.302 -3.661 -4.502 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.560 -4.606 -4.875 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.143 -4.756 -6.429 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.606 -5.139 -7.181 1.00 0.00 H new ATOM 912 N CYS A 67 -2.865 -2.974 -6.774 1.00 0.00 N ATOM 913 CA CYS A 67 -2.465 -2.013 -7.788 1.00 0.00 C ATOM 914 C CYS A 67 -1.465 -2.647 -8.765 1.00 0.00 C ATOM 915 O CYS A 67 -0.539 -3.327 -8.314 1.00 0.00 O ATOM 916 CB CYS A 67 -1.842 -0.814 -7.096 1.00 0.00 C ATOM 917 SG CYS A 67 -1.796 0.650 -8.151 1.00 0.00 S ATOM 0 H CYS A 67 -2.177 -3.710 -6.616 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.337 -1.698 -8.361 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.406 -0.588 -6.191 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.828 -1.065 -6.785 1.00 0.00 H new ATOM 922 N PRO A 68 -1.644 -2.503 -10.088 1.00 0.00 N ATOM 923 CA PRO A 68 -0.763 -3.122 -11.062 1.00 0.00 C ATOM 924 C PRO A 68 0.647 -2.542 -11.051 1.00 0.00 C ATOM 925 O PRO A 68 0.904 -1.494 -10.466 1.00 0.00 O ATOM 926 CB PRO A 68 -1.447 -3.015 -12.421 1.00 0.00 C ATOM 927 CG PRO A 68 -2.517 -1.938 -12.240 1.00 0.00 C ATOM 928 CD PRO A 68 -2.796 -1.906 -10.737 1.00 0.00 C ATOM 0 HA PRO A 68 -0.607 -4.170 -10.807 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.736 -2.739 -13.200 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.890 -3.966 -12.716 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -2.167 -0.970 -12.597 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.418 -2.178 -12.804 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.947 -0.883 -10.393 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.704 -2.460 -10.500 1.00 0.00 H new ATOM 936 N ALA A 69 1.567 -3.199 -11.749 1.00 0.00 N ATOM 937 CA ALA A 69 2.952 -2.759 -11.814 1.00 0.00 C ATOM 938 C ALA A 69 3.036 -1.526 -12.710 1.00 0.00 C ATOM 939 O ALA A 69 2.265 -1.400 -13.662 1.00 0.00 O ATOM 940 CB ALA A 69 3.854 -3.869 -12.373 1.00 0.00 C ATOM 0 H ALA A 69 1.373 -4.047 -12.282 1.00 0.00 H new ATOM 0 HA ALA A 69 3.296 -2.518 -10.808 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.884 -3.516 -12.412 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.795 -4.745 -11.728 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.524 -4.135 -13.377 1.00 0.00 H new ATOM 946 N ASN A 70 3.962 -0.619 -12.401 1.00 0.00 N ATOM 947 CA ASN A 70 4.117 0.665 -13.074 1.00 0.00 C ATOM 948 C ASN A 70 2.824 1.444 -12.932 1.00 0.00 C ATOM 949 O ASN A 70 2.251 1.888 -13.930 1.00 0.00 O ATOM 950 CB ASN A 70 4.549 0.530 -14.542 1.00 0.00 C ATOM 951 CG ASN A 70 5.942 -0.056 -14.624 1.00 0.00 C ATOM 952 OD1 ASN A 70 6.895 0.532 -14.123 1.00 0.00 O ATOM 953 ND2 ASN A 70 6.101 -1.230 -15.217 1.00 0.00 N ATOM 0 H ASN A 70 4.642 -0.763 -11.655 1.00 0.00 H new ATOM 0 HA ASN A 70 4.930 1.210 -12.594 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.846 -0.107 -15.079 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.528 1.506 -15.026 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.026 -1.658 -15.262 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.298 -1.706 -15.629 1.00 0.00 H new ATOM 960 N THR A 71 2.345 1.563 -11.693 1.00 0.00 N ATOM 961 CA THR A 71 1.103 2.252 -11.403 1.00 0.00 C ATOM 962 C THR A 71 1.244 3.070 -10.126 1.00 0.00 C ATOM 963 O THR A 71 1.689 2.569 -9.092 1.00 0.00 O ATOM 964 CB THR A 71 -0.059 1.259 -11.307 1.00 0.00 C ATOM 965 OG1 THR A 71 0.063 0.281 -12.312 1.00 0.00 O ATOM 966 CG2 THR A 71 -1.409 1.952 -11.485 1.00 0.00 C ATOM 0 H THR A 71 2.811 1.183 -10.869 1.00 0.00 H new ATOM 0 HA THR A 71 0.880 2.937 -12.221 1.00 0.00 H new ATOM 0 HB THR A 71 -0.017 0.807 -10.316 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.534 0.501 -13.057 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.209 1.215 -11.411 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.536 2.706 -10.708 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.446 2.430 -12.464 1.00 0.00 H new ATOM 974 N CYS A 72 0.831 4.329 -10.219 1.00 0.00 N ATOM 975 CA CYS A 72 0.583 5.230 -9.103 1.00 0.00 C ATOM 976 C CYS A 72 -0.863 5.054 -8.615 1.00 0.00 C ATOM 977 O CYS A 72 -1.776 4.909 -9.438 1.00 0.00 O ATOM 978 CB CYS A 72 0.858 6.652 -9.599 1.00 0.00 C ATOM 979 SG CYS A 72 -0.216 7.924 -8.943 1.00 0.00 S ATOM 0 H CYS A 72 0.651 4.770 -11.121 1.00 0.00 H new ATOM 0 HA CYS A 72 1.232 5.016 -8.254 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.888 6.910 -9.353 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.778 6.660 -10.686 1.00 0.00 H new ATOM 984 N CYS A 73 -1.085 5.014 -7.299 1.00 0.00 N ATOM 985 CA CYS A 73 -2.263 4.439 -6.670 1.00 0.00 C ATOM 986 C CYS A 73 -2.714 5.346 -5.516 1.00 0.00 C ATOM 987 O CYS A 73 -2.218 5.247 -4.398 1.00 0.00 O ATOM 988 CB CYS A 73 -1.904 3.038 -6.135 1.00 0.00 C ATOM 989 SG CYS A 73 -0.698 2.023 -7.030 1.00 0.00 S ATOM 0 H CYS A 73 -0.423 5.396 -6.624 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.075 4.355 -7.392 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -1.535 3.162 -5.117 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.829 2.466 -6.071 1.00 0.00 H new ATOM 994 N ASN A 74 -3.639 6.274 -5.752 1.00 0.00 N ATOM 995 CA ASN A 74 -4.081 7.193 -4.703 1.00 0.00 C ATOM 996 C ASN A 74 -4.902 6.443 -3.653 1.00 0.00 C ATOM 997 O ASN A 74 -5.898 5.805 -4.002 1.00 0.00 O ATOM 998 CB ASN A 74 -4.926 8.323 -5.294 1.00 0.00 C ATOM 999 CG ASN A 74 -5.214 9.480 -4.334 1.00 0.00 C ATOM 1000 OD1 ASN A 74 -6.052 10.322 -4.642 1.00 0.00 O ATOM 1001 ND2 ASN A 74 -4.575 9.581 -3.170 1.00 0.00 N ATOM 0 H ASN A 74 -4.095 6.410 -6.654 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.195 7.621 -4.234 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.416 8.717 -6.173 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.874 7.908 -5.635 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.783 10.355 -2.540 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.878 8.884 -2.909 1.00 0.00 H new ATOM 1008 N ILE A 75 -4.487 6.492 -2.388 1.00 0.00 N ATOM 1009 CA ILE A 75 -5.192 5.908 -1.265 1.00 0.00 C ATOM 1010 C ILE A 75 -6.346 6.823 -0.850 1.00 0.00 C ATOM 1011 O ILE A 75 -6.133 7.946 -0.385 1.00 0.00 O ATOM 1012 CB ILE A 75 -4.162 5.633 -0.153 1.00 0.00 C ATOM 1013 CG1 ILE A 75 -3.670 4.191 -0.259 1.00 0.00 C ATOM 1014 CG2 ILE A 75 -4.679 5.817 1.267 1.00 0.00 C ATOM 1015 CD1 ILE A 75 -2.945 3.931 -1.567 1.00 0.00 C ATOM 0 H ILE A 75 -3.621 6.957 -2.115 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.657 4.955 -1.518 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.377 6.371 -0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.002 3.974 0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.518 3.512 -0.174 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.880 5.600 1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.014 6.845 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.513 5.137 1.441 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.613 2.893 -1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.620 4.122 -2.401 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.081 4.591 -1.641 1.00 0.00 H new ATOM 1027 N ASN A 76 -7.576 6.346 -1.005 1.00 0.00 N ATOM 1028 CA ASN A 76 -8.806 7.032 -0.631 1.00 0.00 C ATOM 1029 C ASN A 76 -9.811 5.920 -0.382 1.00 0.00 C ATOM 1030 O ASN A 76 -10.188 5.226 -1.321 1.00 0.00 O ATOM 1031 CB ASN A 76 -9.319 7.983 -1.732 1.00 0.00 C ATOM 1032 CG ASN A 76 -8.703 7.748 -3.105 1.00 0.00 C ATOM 1033 OD1 ASN A 76 -7.640 8.281 -3.405 1.00 0.00 O ATOM 1034 ND2 ASN A 76 -9.327 6.947 -3.956 1.00 0.00 N ATOM 0 H ASN A 76 -7.750 5.428 -1.414 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.644 7.666 0.241 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.401 7.878 -1.810 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.119 9.011 -1.429 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -8.924 6.766 -4.875 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -10.210 6.511 -3.692 1.00 0.00 H new ATOM 1041 N THR A 77 -10.170 5.692 0.880 1.00 0.00 N ATOM 1042 CA THR A 77 -10.981 4.557 1.302 1.00 0.00 C ATOM 1043 C THR A 77 -12.109 5.021 2.232 1.00 0.00 C ATOM 1044 O THR A 77 -12.974 4.228 2.614 1.00 0.00 O ATOM 1045 CB THR A 77 -10.030 3.529 1.940 1.00 0.00 C ATOM 1046 OG1 THR A 77 -9.993 2.376 1.123 1.00 0.00 O ATOM 1047 CG2 THR A 77 -10.371 3.043 3.345 1.00 0.00 C ATOM 0 H THR A 77 -9.899 6.303 1.650 1.00 0.00 H new ATOM 0 HA THR A 77 -11.486 4.082 0.461 1.00 0.00 H new ATOM 0 HB THR A 77 -9.087 4.069 2.023 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.388 1.714 1.519 1.00 0.00 H new ATOM 0 HG21 THR A 77 -9.621 2.324 3.673 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.385 3.891 4.030 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.351 2.567 3.337 1.00 0.00 H new ATOM 1055 N GLY A 78 -12.127 6.297 2.610 1.00 0.00 N ATOM 1056 CA GLY A 78 -13.127 6.845 3.507 1.00 0.00 C ATOM 1057 C GLY A 78 -12.827 6.541 4.975 1.00 0.00 C ATOM 1058 O GLY A 78 -13.688 6.758 5.828 1.00 0.00 O ATOM 0 H GLY A 78 -11.439 6.982 2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.183 7.925 3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.105 6.439 3.248 1.00 0.00 H new ATOM 1062 N PHE A 79 -11.621 6.078 5.314 1.00 0.00 N ATOM 1063 CA PHE A 79 -11.107 6.179 6.653 1.00 0.00 C ATOM 1064 C PHE A 79 -9.647 6.532 6.576 1.00 0.00 C ATOM 1065 O PHE A 79 -9.003 6.277 5.562 1.00 0.00 O ATOM 1066 CB PHE A 79 -11.307 4.883 7.425 1.00 0.00 C ATOM 1067 CG PHE A 79 -10.956 3.578 6.730 1.00 0.00 C ATOM 1068 CD1 PHE A 79 -9.633 3.095 6.764 1.00 0.00 C ATOM 1069 CD2 PHE A 79 -11.979 2.747 6.242 1.00 0.00 C ATOM 1070 CE1 PHE A 79 -9.351 1.782 6.352 1.00 0.00 C ATOM 1071 CE2 PHE A 79 -11.710 1.401 5.943 1.00 0.00 C ATOM 1072 CZ PHE A 79 -10.395 0.915 5.999 1.00 0.00 C ATOM 0 H PHE A 79 -10.985 5.625 4.657 1.00 0.00 H new ATOM 0 HA PHE A 79 -11.652 6.956 7.190 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -10.716 4.944 8.339 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -12.354 4.831 7.725 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.834 3.735 7.107 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -12.973 3.144 6.097 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.328 1.439 6.307 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -12.518 0.738 5.669 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.188 -0.120 5.772 1.00 0.00 H new ATOM 1082 N TYR A 80 -9.147 7.128 7.653 1.00 0.00 N ATOM 1083 CA TYR A 80 -7.735 7.401 7.764 1.00 0.00 C ATOM 1084 C TYR A 80 -7.066 6.059 8.033 1.00 0.00 C ATOM 1085 O TYR A 80 -7.513 5.313 8.910 1.00 0.00 O ATOM 1086 CB TYR A 80 -7.525 8.390 8.914 1.00 0.00 C ATOM 1087 CG TYR A 80 -6.127 8.608 9.475 1.00 0.00 C ATOM 1088 CD1 TYR A 80 -4.969 8.499 8.681 1.00 0.00 C ATOM 1089 CD2 TYR A 80 -5.997 8.895 10.847 1.00 0.00 C ATOM 1090 CE1 TYR A 80 -3.698 8.527 9.287 1.00 0.00 C ATOM 1091 CE2 TYR A 80 -4.730 8.916 11.450 1.00 0.00 C ATOM 1092 CZ TYR A 80 -3.580 8.710 10.675 1.00 0.00 C ATOM 1093 OH TYR A 80 -2.376 8.625 11.306 1.00 0.00 O ATOM 0 H TYR A 80 -9.703 7.427 8.454 1.00 0.00 H new ATOM 0 HA TYR A 80 -7.310 7.849 6.866 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -7.898 9.359 8.582 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.161 8.070 9.739 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.055 8.394 7.610 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.877 9.100 11.439 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.811 8.407 8.683 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -4.641 9.091 12.512 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.498 8.782 12.266 1.00 0.00 H new ATOM 1103 N ILE A 81 -5.992 5.785 7.309 1.00 0.00 N ATOM 1104 CA ILE A 81 -5.341 4.495 7.237 1.00 0.00 C ATOM 1105 C ILE A 81 -4.042 4.568 8.024 1.00 0.00 C ATOM 1106 O ILE A 81 -3.286 5.525 7.861 1.00 0.00 O ATOM 1107 CB ILE A 81 -5.060 4.074 5.795 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -4.715 5.277 4.912 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -6.231 3.253 5.242 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -5.955 5.896 4.273 1.00 0.00 C ATOM 0 H ILE A 81 -5.533 6.490 6.732 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.006 3.744 7.663 1.00 0.00 H new ATOM 0 HB ILE A 81 -4.179 3.433 5.787 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.202 6.030 5.511 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.022 4.965 4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.017 2.960 4.214 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.370 2.361 5.852 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.140 3.854 5.266 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.661 6.745 3.656 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.454 5.152 3.652 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.637 6.233 5.054 1.00 0.00 H new ATOM 1122 N ARG A 82 -3.797 3.590 8.892 1.00 0.00 N ATOM 1123 CA ARG A 82 -2.629 3.596 9.763 1.00 0.00 C ATOM 1124 C ARG A 82 -1.772 2.368 9.644 1.00 0.00 C ATOM 1125 O ARG A 82 -0.725 2.297 10.280 1.00 0.00 O ATOM 1126 CB ARG A 82 -3.051 3.815 11.204 1.00 0.00 C ATOM 1127 CG ARG A 82 -3.634 5.214 11.273 1.00 0.00 C ATOM 1128 CD ARG A 82 -5.157 5.261 11.294 1.00 0.00 C ATOM 1129 NE ARG A 82 -5.721 4.631 12.492 1.00 0.00 N ATOM 1130 CZ ARG A 82 -7.045 4.527 12.667 1.00 0.00 C ATOM 1131 NH1 ARG A 82 -7.885 4.923 11.707 1.00 0.00 N ATOM 1132 NH2 ARG A 82 -7.546 4.055 13.804 1.00 0.00 N ATOM 0 H ARG A 82 -4.400 2.776 9.010 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.005 4.425 9.429 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.788 3.072 11.510 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.200 3.716 11.877 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.255 5.709 12.167 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.277 5.786 10.417 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.486 6.299 11.244 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.545 4.760 10.407 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.092 4.264 13.207 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.519 5.307 10.836 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.892 4.842 11.845 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -6.920 3.767 14.556 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.556 3.981 13.924 1.00 0.00 H new ATOM 1146 N SER A 83 -2.181 1.434 8.809 1.00 0.00 N ATOM 1147 CA SER A 83 -1.258 0.356 8.425 1.00 0.00 C ATOM 1148 C SER A 83 -1.542 -0.352 7.091 1.00 0.00 C ATOM 1149 O SER A 83 -2.599 -0.152 6.489 1.00 0.00 O ATOM 1150 CB SER A 83 -1.116 -0.624 9.595 1.00 0.00 C ATOM 1151 OG SER A 83 -2.383 -0.932 10.129 1.00 0.00 O ATOM 0 H SER A 83 -3.110 1.387 8.390 1.00 0.00 H new ATOM 0 HA SER A 83 -0.304 0.842 8.218 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.624 -1.536 9.257 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.483 -0.189 10.369 1.00 0.00 H new ATOM 0 HG SER A 83 -2.635 -0.251 10.787 1.00 0.00 H new ATOM 1157 N TYR A 84 -0.586 -1.173 6.624 1.00 0.00 N ATOM 1158 CA TYR A 84 -0.771 -2.152 5.555 1.00 0.00 C ATOM 1159 C TYR A 84 0.221 -3.313 5.692 1.00 0.00 C ATOM 1160 O TYR A 84 1.191 -3.200 6.444 1.00 0.00 O ATOM 1161 CB TYR A 84 -0.665 -1.516 4.157 1.00 0.00 C ATOM 1162 CG TYR A 84 0.740 -1.183 3.675 1.00 0.00 C ATOM 1163 CD1 TYR A 84 1.519 -2.141 2.995 1.00 0.00 C ATOM 1164 CD2 TYR A 84 1.248 0.113 3.848 1.00 0.00 C ATOM 1165 CE1 TYR A 84 2.830 -1.830 2.590 1.00 0.00 C ATOM 1166 CE2 TYR A 84 2.571 0.410 3.479 1.00 0.00 C ATOM 1167 CZ TYR A 84 3.366 -0.561 2.857 1.00 0.00 C ATOM 1168 OH TYR A 84 4.635 -0.250 2.466 1.00 0.00 O ATOM 0 H TYR A 84 0.364 -1.168 6.996 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.783 -2.543 5.660 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.123 -2.194 3.437 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -1.255 -0.600 4.152 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.108 -3.117 2.784 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.620 0.886 4.266 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.424 -2.569 2.073 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.977 1.391 3.676 1.00 0.00 H new ATOM 0 HH TYR A 84 4.843 0.670 2.731 1.00 0.00 H new ATOM 1178 N ARG A 85 -0.032 -4.390 4.941 1.00 0.00 N ATOM 1179 CA ARG A 85 0.824 -5.548 4.712 1.00 0.00 C ATOM 1180 C ARG A 85 0.733 -5.866 3.218 1.00 0.00 C ATOM 1181 O ARG A 85 -0.384 -6.070 2.742 1.00 0.00 O ATOM 1182 CB ARG A 85 0.206 -6.719 5.486 1.00 0.00 C ATOM 1183 CG ARG A 85 0.971 -8.041 5.418 1.00 0.00 C ATOM 1184 CD ARG A 85 -0.037 -9.174 5.588 1.00 0.00 C ATOM 1185 NE ARG A 85 0.566 -10.390 6.159 1.00 0.00 N ATOM 1186 CZ ARG A 85 0.519 -11.632 5.646 1.00 0.00 C ATOM 1187 NH1 ARG A 85 -0.281 -11.942 4.626 1.00 0.00 N ATOM 1188 NH2 ARG A 85 1.296 -12.570 6.181 1.00 0.00 N ATOM 0 H ARG A 85 -0.915 -4.477 4.438 1.00 0.00 H new ATOM 0 HA ARG A 85 1.855 -5.374 5.021 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.113 -6.429 6.532 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.803 -6.886 5.110 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.491 -8.133 4.464 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.729 -8.084 6.200 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.849 -8.839 6.233 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.477 -9.412 4.619 1.00 0.00 H new ATOM 0 HE ARG A 85 1.073 -10.278 7.037 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.880 -11.228 4.212 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.294 -12.894 4.259 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.909 -12.339 6.963 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.278 -13.520 5.810 1.00 0.00 H new ATOM 1202 N ARG A 86 1.834 -5.932 2.466 1.00 0.00 N ATOM 1203 CA ARG A 86 1.773 -6.452 1.103 1.00 0.00 C ATOM 1204 C ARG A 86 1.507 -7.953 1.195 1.00 0.00 C ATOM 1205 O ARG A 86 2.183 -8.653 1.949 1.00 0.00 O ATOM 1206 CB ARG A 86 3.047 -6.149 0.295 1.00 0.00 C ATOM 1207 CG ARG A 86 2.977 -6.730 -1.124 1.00 0.00 C ATOM 1208 CD ARG A 86 4.230 -6.465 -1.968 1.00 0.00 C ATOM 1209 NE ARG A 86 4.043 -7.090 -3.286 1.00 0.00 N ATOM 1210 CZ ARG A 86 4.549 -6.731 -4.473 1.00 0.00 C ATOM 1211 NH1 ARG A 86 5.451 -5.758 -4.566 1.00 0.00 N ATOM 1212 NH2 ARG A 86 4.127 -7.342 -5.574 1.00 0.00 N ATOM 0 H ARG A 86 2.761 -5.637 2.772 1.00 0.00 H new ATOM 0 HA ARG A 86 0.969 -5.955 0.561 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.193 -5.070 0.239 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.912 -6.561 0.814 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.817 -7.806 -1.058 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.111 -6.310 -1.636 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.394 -5.393 -2.077 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.112 -6.874 -1.476 1.00 0.00 H new ATOM 0 HE ARG A 86 3.442 -7.914 -3.298 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.767 -5.274 -3.726 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.827 -5.496 -5.477 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.423 -8.078 -5.511 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.506 -7.075 -6.482 1.00 0.00 H new ATOM 1226 N VAL A 87 0.525 -8.441 0.442 1.00 0.00 N ATOM 1227 CA VAL A 87 0.129 -9.836 0.426 1.00 0.00 C ATOM 1228 C VAL A 87 0.755 -10.572 -0.758 1.00 0.00 C ATOM 1229 O VAL A 87 1.069 -11.756 -0.622 1.00 0.00 O ATOM 1230 CB VAL A 87 -1.403 -9.969 0.460 1.00 0.00 C ATOM 1231 CG1 VAL A 87 -1.927 -9.615 1.853 1.00 0.00 C ATOM 1232 CG2 VAL A 87 -2.121 -9.080 -0.558 1.00 0.00 C ATOM 0 H VAL A 87 -0.028 -7.859 -0.187 1.00 0.00 H new ATOM 0 HA VAL A 87 0.510 -10.315 1.328 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.616 -11.006 0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -3.013 -9.712 1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.492 -10.292 2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.651 -8.589 2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.198 -9.228 -0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.882 -8.035 -0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.795 -9.343 -1.564 1.00 0.00 H new ATOM 1242 N GLU A 88 0.947 -9.919 -1.902 1.00 0.00 N ATOM 1243 CA GLU A 88 1.494 -10.528 -3.103 1.00 0.00 C ATOM 1244 C GLU A 88 2.002 -9.416 -4.011 1.00 0.00 C ATOM 1245 CB GLU A 88 0.438 -11.370 -3.829 1.00 0.00 C ATOM 1246 CG GLU A 88 -0.964 -10.765 -3.744 1.00 0.00 C ATOM 1247 CD GLU A 88 -1.912 -11.484 -4.658 1.00 0.00 C ATOM 1248 OE1 GLU A 88 -2.198 -12.666 -4.391 1.00 0.00 O ATOM 1249 OE2 GLU A 88 -2.364 -10.877 -5.648 1.00 0.00 O ATOM 0 H GLU A 88 0.721 -8.931 -2.018 1.00 0.00 H new ATOM 0 HA GLU A 88 2.310 -11.198 -2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.721 -11.474 -4.877 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.423 -12.373 -3.401 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.328 -10.822 -2.718 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.926 -9.709 -4.011 1.00 0.00 H new