USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 430 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 Single : A 1 ARG N :NH3+ -142:sc= -6.48! (180deg=-9.19!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN :FLIP amide:sc= -2.23! C(o=-4.7!,f=-2.2!) USER MOD Single : A 6 HIS :FLIP no HD1:sc= -16! C(o=-18!,f=-16!) USER MOD Single : A 9 THR OG1 : rot -36:sc= 0.897 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.033 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= -1.6 F(o=-2.2!,f=-1.6) USER MOD Single : A 21 SER OG : rot 180:sc= 0.051 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -129:sc= -1.95 (180deg=-4.21!) USER MOD Single : A 25 ASN :FLIP amide:sc= -3.38! C(o=-6.5!,f=-3.4!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.305 USER MOD Single : A 31 ASN :FLIP amide:sc= -0.103 F(o=-0.71,f=-0.1) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -35:sc= -0.0556! USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -6.4! C(o=-6.4!,f=-22!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.746 12.178 3.031 1.00 0.00 N ATOM 2 CA ARG A 1 1.759 13.065 2.356 1.00 0.00 C ATOM 3 C ARG A 1 0.516 12.239 1.941 1.00 0.00 C ATOM 4 O ARG A 1 0.030 11.446 2.722 1.00 0.00 O ATOM 5 CB ARG A 1 2.432 13.780 1.165 1.00 0.00 C ATOM 6 CG ARG A 1 2.678 12.838 -0.020 1.00 0.00 C ATOM 7 CD ARG A 1 4.010 12.095 0.122 1.00 0.00 C ATOM 8 NE ARG A 1 3.791 10.629 0.296 1.00 0.00 N ATOM 9 CZ ARG A 1 2.807 10.177 1.043 1.00 0.00 C ATOM 10 NH1 ARG A 1 1.580 10.208 0.616 1.00 0.00 N ATOM 11 NH2 ARG A 1 3.051 9.648 2.206 1.00 0.00 N ATOM 0 H1 ARG A 1 3.194 12.692 3.816 1.00 0.00 H new ATOM 0 H2 ARG A 1 2.260 11.336 3.401 1.00 0.00 H new ATOM 0 H3 ARG A 1 3.474 11.886 2.348 1.00 0.00 H new ATOM 0 HA ARG A 1 1.413 13.841 3.039 1.00 0.00 H new ATOM 0 HB2 ARG A 1 1.804 14.610 0.841 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.381 14.206 1.490 1.00 0.00 H new ATOM 0 HG2 ARG A 1 1.863 12.117 -0.089 1.00 0.00 H new ATOM 0 HG3 ARG A 1 2.676 13.410 -0.948 1.00 0.00 H new ATOM 0 HD2 ARG A 1 4.625 12.272 -0.761 1.00 0.00 H new ATOM 0 HD3 ARG A 1 4.560 12.488 0.977 1.00 0.00 H new ATOM 0 HE ARG A 1 4.413 9.969 -0.171 1.00 0.00 H new ATOM 0 HH11 ARG A 1 1.371 10.586 -0.308 1.00 0.00 H new ATOM 0 HH12 ARG A 1 0.826 9.854 1.205 1.00 0.00 H new ATOM 0 HH21 ARG A 1 4.011 9.581 2.545 1.00 0.00 H new ATOM 0 HH22 ARG A 1 2.283 9.300 2.779 1.00 0.00 H new ATOM 27 N ILE A 2 -0.033 12.415 0.757 1.00 0.00 N ATOM 28 CA ILE A 2 -1.265 11.621 0.396 1.00 0.00 C ATOM 29 C ILE A 2 -0.918 10.302 -0.287 1.00 0.00 C ATOM 30 O ILE A 2 -0.563 10.280 -1.443 1.00 0.00 O ATOM 31 CB ILE A 2 -2.136 12.437 -0.555 1.00 0.00 C ATOM 32 CG1 ILE A 2 -2.778 13.554 0.245 1.00 0.00 C ATOM 33 CG2 ILE A 2 -3.233 11.552 -1.154 1.00 0.00 C ATOM 34 CD1 ILE A 2 -1.893 14.801 0.195 1.00 0.00 C ATOM 0 H ILE A 2 0.306 13.056 0.039 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.793 11.402 1.324 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.529 12.839 -1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.765 13.781 -0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.920 13.239 1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.849 12.144 -1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.777 10.729 -1.704 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.855 11.152 -0.354 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.358 15.601 0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.915 14.570 0.618 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.774 15.121 -0.840 1.00 0.00 H new ATOM 46 N CYS A 3 -1.053 9.192 0.390 1.00 0.00 N ATOM 47 CA CYS A 3 -0.746 7.906 -0.292 1.00 0.00 C ATOM 48 C CYS A 3 -2.029 7.298 -0.856 1.00 0.00 C ATOM 49 O CYS A 3 -3.098 7.865 -0.753 1.00 0.00 O ATOM 50 CB CYS A 3 -0.114 6.892 0.672 1.00 0.00 C ATOM 51 SG CYS A 3 1.466 7.503 1.287 1.00 0.00 S ATOM 0 H CYS A 3 -1.355 9.121 1.362 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.038 8.122 -1.092 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.789 6.707 1.508 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.031 5.939 0.163 1.00 0.00 H new ATOM 56 N TYR A 4 -1.928 6.132 -1.439 1.00 0.00 N ATOM 57 CA TYR A 4 -3.139 5.468 -1.992 1.00 0.00 C ATOM 58 C TYR A 4 -3.652 4.471 -0.961 1.00 0.00 C ATOM 59 O TYR A 4 -2.880 3.765 -0.342 1.00 0.00 O ATOM 60 CB TYR A 4 -2.785 4.722 -3.283 1.00 0.00 C ATOM 61 CG TYR A 4 -3.565 5.299 -4.439 1.00 0.00 C ATOM 62 CD1 TYR A 4 -4.924 4.998 -4.595 1.00 0.00 C ATOM 63 CD2 TYR A 4 -2.923 6.130 -5.362 1.00 0.00 C ATOM 64 CE1 TYR A 4 -5.637 5.532 -5.673 1.00 0.00 C ATOM 65 CE2 TYR A 4 -3.634 6.663 -6.440 1.00 0.00 C ATOM 66 CZ TYR A 4 -4.993 6.364 -6.596 1.00 0.00 C ATOM 67 OH TYR A 4 -5.697 6.889 -7.661 1.00 0.00 O ATOM 0 H TYR A 4 -1.058 5.613 -1.555 1.00 0.00 H new ATOM 0 HA TYR A 4 -3.901 6.215 -2.214 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -1.716 4.802 -3.478 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.010 3.661 -3.174 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.420 4.354 -3.884 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.875 6.360 -5.241 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -6.685 5.302 -5.793 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -3.136 7.305 -7.152 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.101 7.446 -8.205 1.00 0.00 H new ATOM 77 N ASN A 5 -4.940 4.419 -0.766 1.00 0.00 N ATOM 78 CA ASN A 5 -5.523 3.471 0.225 1.00 0.00 C ATOM 79 C ASN A 5 -6.387 2.433 -0.512 1.00 0.00 C ATOM 80 O ASN A 5 -7.299 1.858 0.047 1.00 0.00 O ATOM 81 CB ASN A 5 -6.374 4.259 1.232 1.00 0.00 C ATOM 82 CG ASN A 5 -7.127 3.294 2.147 1.00 0.00 C ATOM 83 OD1 ASN A 5 -6.646 2.102 2.351 1.00 0.00 O flip ATOM 84 ND2 ASN A 5 -8.164 3.631 2.683 1.00 0.00 N flip ATOM 0 H ASN A 5 -5.621 4.999 -1.256 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.729 2.951 0.760 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.736 4.914 1.826 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -7.081 4.898 0.702 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.541 4.565 2.523 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.658 2.980 3.293 1.00 0.00 H new ATOM 91 N HIS A 6 -6.112 2.191 -1.766 1.00 0.00 N ATOM 92 CA HIS A 6 -6.926 1.195 -2.526 1.00 0.00 C ATOM 93 C HIS A 6 -6.751 -0.188 -1.891 1.00 0.00 C ATOM 94 O HIS A 6 -5.666 -0.579 -1.509 1.00 0.00 O ATOM 95 CB HIS A 6 -6.490 1.210 -4.005 1.00 0.00 C ATOM 96 CG HIS A 6 -6.415 -0.178 -4.606 1.00 0.00 C ATOM 97 ND1 HIS A 6 -5.767 -1.329 -4.222 1.00 0.00 N flip ATOM 98 CD2 HIS A 6 -7.043 -0.486 -5.803 1.00 0.00 C flip ATOM 99 CE1 HIS A 6 -5.985 -2.327 -5.164 1.00 0.00 C flip ATOM 100 NE2 HIS A 6 -6.760 -1.766 -6.095 1.00 0.00 N flip ATOM 0 H HIS A 6 -5.363 2.637 -2.296 1.00 0.00 H new ATOM 0 HA HIS A 6 -7.985 1.450 -2.486 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -7.192 1.813 -4.580 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -5.515 1.690 -4.087 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.651 0.183 -6.394 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.608 -3.339 -5.147 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -7.096 -2.251 -6.927 1.00 0.00 H new ATOM 108 N LEU A 7 -7.822 -0.916 -1.762 1.00 0.00 N ATOM 109 CA LEU A 7 -7.742 -2.272 -1.139 1.00 0.00 C ATOM 110 C LEU A 7 -7.887 -3.367 -2.202 1.00 0.00 C ATOM 111 O LEU A 7 -8.937 -3.520 -2.791 1.00 0.00 O ATOM 112 CB LEU A 7 -8.866 -2.422 -0.111 1.00 0.00 C ATOM 113 CG LEU A 7 -8.395 -1.898 1.244 1.00 0.00 C ATOM 114 CD1 LEU A 7 -7.360 -2.859 1.828 1.00 0.00 C ATOM 115 CD2 LEU A 7 -7.765 -0.517 1.064 1.00 0.00 C ATOM 0 H LEU A 7 -8.755 -0.633 -2.061 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.770 -2.377 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.748 -1.871 -0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.157 -3.469 -0.026 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.245 -1.824 1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.023 -2.487 2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.809 -3.844 1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.509 -2.933 1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.428 -0.142 2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.914 -0.591 0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.503 0.168 0.646 1.00 0.00 H new ATOM 127 N GLY A 8 -6.851 -4.144 -2.430 1.00 0.00 N ATOM 128 CA GLY A 8 -6.925 -5.256 -3.430 1.00 0.00 C ATOM 129 C GLY A 8 -7.903 -4.933 -4.568 1.00 0.00 C ATOM 130 O GLY A 8 -7.765 -3.951 -5.260 1.00 0.00 O ATOM 0 H GLY A 8 -5.950 -4.052 -1.960 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.933 -5.440 -3.844 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.237 -6.174 -2.931 1.00 0.00 H new ATOM 134 N THR A 9 -8.887 -5.771 -4.772 1.00 0.00 N ATOM 135 CA THR A 9 -9.864 -5.526 -5.875 1.00 0.00 C ATOM 136 C THR A 9 -11.054 -4.716 -5.355 1.00 0.00 C ATOM 137 O THR A 9 -12.110 -4.695 -5.955 1.00 0.00 O ATOM 138 CB THR A 9 -10.363 -6.867 -6.416 1.00 0.00 C ATOM 139 OG1 THR A 9 -11.206 -6.639 -7.536 1.00 0.00 O ATOM 140 CG2 THR A 9 -11.147 -7.598 -5.324 1.00 0.00 C ATOM 0 H THR A 9 -9.056 -6.614 -4.223 1.00 0.00 H new ATOM 0 HA THR A 9 -9.371 -4.965 -6.669 1.00 0.00 H new ATOM 0 HB THR A 9 -9.513 -7.477 -6.720 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.733 -5.826 -7.388 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.503 -8.554 -5.709 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.499 -7.772 -4.465 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.999 -6.990 -5.019 1.00 0.00 H new ATOM 148 N LYS A 10 -10.892 -4.044 -4.252 1.00 0.00 N ATOM 149 CA LYS A 10 -12.013 -3.229 -3.701 1.00 0.00 C ATOM 150 C LYS A 10 -11.955 -1.835 -4.353 1.00 0.00 C ATOM 151 O LYS A 10 -11.230 -1.658 -5.311 1.00 0.00 O ATOM 152 CB LYS A 10 -11.857 -3.141 -2.177 1.00 0.00 C ATOM 153 CG LYS A 10 -11.214 -4.427 -1.644 1.00 0.00 C ATOM 154 CD LYS A 10 -12.037 -4.964 -0.472 1.00 0.00 C ATOM 155 CE LYS A 10 -13.336 -5.579 -1.001 1.00 0.00 C ATOM 156 NZ LYS A 10 -13.577 -6.889 -0.330 1.00 0.00 N ATOM 0 H LYS A 10 -10.031 -4.022 -3.706 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.981 -3.681 -3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.242 -2.280 -1.915 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -12.831 -2.991 -1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.160 -5.174 -2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.192 -4.228 -1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.464 -5.712 0.076 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.262 -4.159 0.228 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.172 -4.904 -0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.272 -5.718 -2.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.459 -7.306 -0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.784 -7.532 -0.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.656 -6.744 0.697 1.00 0.00 H new ATOM 170 N PRO A 11 -12.708 -0.879 -3.849 1.00 0.00 N ATOM 171 CA PRO A 11 -12.711 0.474 -4.425 1.00 0.00 C ATOM 172 C PRO A 11 -11.432 1.213 -4.014 1.00 0.00 C ATOM 173 O PRO A 11 -11.063 1.206 -2.857 1.00 0.00 O ATOM 174 CB PRO A 11 -13.963 1.127 -3.833 1.00 0.00 C ATOM 175 CG PRO A 11 -14.303 0.333 -2.552 1.00 0.00 C ATOM 176 CD PRO A 11 -13.600 -1.033 -2.677 1.00 0.00 C ATOM 0 HA PRO A 11 -12.730 0.486 -5.515 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.782 2.177 -3.603 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -14.791 1.094 -4.542 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.960 0.865 -1.665 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.381 0.206 -2.450 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.035 -1.274 -1.776 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.319 -1.838 -2.827 1.00 0.00 H new ATOM 184 N PRO A 12 -10.775 1.799 -4.984 1.00 0.00 N ATOM 185 CA PRO A 12 -9.510 2.516 -4.755 1.00 0.00 C ATOM 186 C PRO A 12 -9.737 3.896 -4.142 1.00 0.00 C ATOM 187 O PRO A 12 -10.483 4.704 -4.657 1.00 0.00 O ATOM 188 CB PRO A 12 -8.911 2.644 -6.157 1.00 0.00 C ATOM 189 CG PRO A 12 -10.091 2.517 -7.149 1.00 0.00 C ATOM 190 CD PRO A 12 -11.227 1.805 -6.390 1.00 0.00 C ATOM 0 HA PRO A 12 -8.863 1.991 -4.052 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.404 3.602 -6.277 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.169 1.866 -6.335 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.413 3.499 -7.497 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.797 1.947 -8.031 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.173 2.334 -6.502 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.382 0.793 -6.763 1.00 0.00 H new ATOM 198 N THR A 13 -9.074 4.176 -3.055 1.00 0.00 N ATOM 199 CA THR A 13 -9.225 5.514 -2.415 1.00 0.00 C ATOM 200 C THR A 13 -7.872 5.946 -1.858 1.00 0.00 C ATOM 201 O THR A 13 -7.134 5.145 -1.332 1.00 0.00 O ATOM 202 CB THR A 13 -10.257 5.455 -1.279 1.00 0.00 C ATOM 203 OG1 THR A 13 -9.758 6.154 -0.147 1.00 0.00 O ATOM 204 CG2 THR A 13 -10.540 4.000 -0.892 1.00 0.00 C ATOM 0 H THR A 13 -8.435 3.538 -2.582 1.00 0.00 H new ATOM 0 HA THR A 13 -9.573 6.232 -3.158 1.00 0.00 H new ATOM 0 HB THR A 13 -11.183 5.918 -1.621 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.417 6.117 0.577 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.273 3.974 -0.086 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.932 3.463 -1.756 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.617 3.526 -0.558 1.00 0.00 H new ATOM 212 N THR A 14 -7.539 7.201 -1.961 1.00 0.00 N ATOM 213 CA THR A 14 -6.229 7.665 -1.422 1.00 0.00 C ATOM 214 C THR A 14 -6.432 8.235 -0.021 1.00 0.00 C ATOM 215 O THR A 14 -7.536 8.544 0.384 1.00 0.00 O ATOM 216 CB THR A 14 -5.637 8.747 -2.325 1.00 0.00 C ATOM 217 OG1 THR A 14 -6.678 9.581 -2.812 1.00 0.00 O ATOM 218 CG2 THR A 14 -4.912 8.090 -3.497 1.00 0.00 C ATOM 0 H THR A 14 -8.114 7.924 -2.393 1.00 0.00 H new ATOM 0 HA THR A 14 -5.543 6.819 -1.384 1.00 0.00 H new ATOM 0 HB THR A 14 -4.930 9.350 -1.756 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.298 10.275 -3.389 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.489 8.861 -4.142 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.112 7.454 -3.119 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.617 7.486 -4.068 1.00 0.00 H new ATOM 226 N GLU A 15 -5.373 8.380 0.720 1.00 0.00 N ATOM 227 CA GLU A 15 -5.497 8.933 2.096 1.00 0.00 C ATOM 228 C GLU A 15 -4.260 9.773 2.410 1.00 0.00 C ATOM 229 O GLU A 15 -3.345 9.864 1.617 1.00 0.00 O ATOM 230 CB GLU A 15 -5.609 7.786 3.103 1.00 0.00 C ATOM 231 CG GLU A 15 -4.454 6.805 2.892 1.00 0.00 C ATOM 232 CD GLU A 15 -3.211 7.308 3.627 1.00 0.00 C ATOM 233 OE1 GLU A 15 -3.242 7.344 4.846 1.00 0.00 O ATOM 234 OE2 GLU A 15 -2.250 7.648 2.958 1.00 0.00 O ATOM 0 H GLU A 15 -4.424 8.139 0.433 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.390 9.555 2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.586 8.178 4.120 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.563 7.273 2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.731 5.817 3.260 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.242 6.701 1.828 1.00 0.00 H new ATOM 241 N THR A 16 -4.221 10.387 3.559 1.00 0.00 N ATOM 242 CA THR A 16 -3.037 11.216 3.909 1.00 0.00 C ATOM 243 C THR A 16 -2.301 10.582 5.087 1.00 0.00 C ATOM 244 O THR A 16 -2.905 10.078 6.014 1.00 0.00 O ATOM 245 CB THR A 16 -3.489 12.628 4.289 1.00 0.00 C ATOM 246 OG1 THR A 16 -4.850 12.804 3.923 1.00 0.00 O ATOM 247 CG2 THR A 16 -2.626 13.656 3.555 1.00 0.00 C ATOM 0 H THR A 16 -4.954 10.351 4.267 1.00 0.00 H new ATOM 0 HA THR A 16 -2.369 11.271 3.049 1.00 0.00 H new ATOM 0 HB THR A 16 -3.381 12.766 5.365 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.140 13.707 4.168 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.948 14.661 3.826 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.582 13.522 3.836 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.732 13.518 2.479 1.00 0.00 H new ATOM 255 N CYS A 17 -1.000 10.598 5.054 1.00 0.00 N ATOM 256 CA CYS A 17 -0.218 9.993 6.164 1.00 0.00 C ATOM 257 C CYS A 17 0.998 10.869 6.461 1.00 0.00 C ATOM 258 O CYS A 17 1.193 11.902 5.852 1.00 0.00 O ATOM 259 CB CYS A 17 0.251 8.604 5.742 1.00 0.00 C ATOM 260 SG CYS A 17 0.172 7.477 7.153 1.00 0.00 S ATOM 0 H CYS A 17 -0.443 11.006 4.303 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.839 9.918 7.056 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.374 8.230 4.931 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.271 8.654 5.362 1.00 0.00 H new ATOM 265 N GLN A 18 1.826 10.464 7.385 1.00 0.00 N ATOM 266 CA GLN A 18 3.028 11.283 7.698 1.00 0.00 C ATOM 267 C GLN A 18 4.218 10.778 6.905 1.00 0.00 C ATOM 268 O GLN A 18 4.985 11.546 6.357 1.00 0.00 O ATOM 269 CB GLN A 18 3.383 11.180 9.168 1.00 0.00 C ATOM 270 CG GLN A 18 4.586 12.090 9.428 1.00 0.00 C ATOM 271 CD GLN A 18 4.284 13.493 8.888 1.00 0.00 C ATOM 272 OE1 GLN A 18 4.456 13.741 7.613 1.00 0.00 O flip ATOM 273 NE2 GLN A 18 3.890 14.371 9.629 1.00 0.00 N flip ATOM 0 H GLN A 18 1.723 9.609 7.932 1.00 0.00 H new ATOM 0 HA GLN A 18 2.799 12.317 7.441 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.537 11.480 9.786 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.621 10.149 9.432 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.798 12.136 10.496 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.475 11.685 8.944 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.756 14.179 10.622 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.693 15.301 9.259 1.00 0.00 H new ATOM 282 N GLU A 19 4.392 9.492 6.848 1.00 0.00 N ATOM 283 CA GLU A 19 5.562 8.965 6.092 1.00 0.00 C ATOM 284 C GLU A 19 5.362 9.324 4.633 1.00 0.00 C ATOM 285 O GLU A 19 4.387 8.942 4.027 1.00 0.00 O ATOM 286 CB GLU A 19 5.688 7.432 6.185 1.00 0.00 C ATOM 287 CG GLU A 19 4.749 6.858 7.249 1.00 0.00 C ATOM 288 CD GLU A 19 5.075 7.473 8.612 1.00 0.00 C ATOM 289 OE1 GLU A 19 5.882 8.388 8.650 1.00 0.00 O ATOM 290 OE2 GLU A 19 4.513 7.018 9.595 1.00 0.00 O ATOM 0 H GLU A 19 3.790 8.792 7.282 1.00 0.00 H new ATOM 0 HA GLU A 19 6.465 9.402 6.518 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.458 6.987 5.217 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.717 7.164 6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.713 7.067 6.984 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.854 5.774 7.294 1.00 0.00 H new ATOM 297 N ASP A 20 6.284 10.036 4.054 1.00 0.00 N ATOM 298 CA ASP A 20 6.123 10.389 2.611 1.00 0.00 C ATOM 299 C ASP A 20 6.160 9.099 1.808 1.00 0.00 C ATOM 300 O ASP A 20 5.874 9.078 0.628 1.00 0.00 O ATOM 301 CB ASP A 20 7.224 11.317 2.094 1.00 0.00 C ATOM 302 CG ASP A 20 8.203 11.690 3.210 1.00 0.00 C ATOM 303 OD1 ASP A 20 9.150 10.950 3.413 1.00 0.00 O ATOM 304 OD2 ASP A 20 7.989 12.713 3.840 1.00 0.00 O ATOM 0 H ASP A 20 7.130 10.386 4.504 1.00 0.00 H new ATOM 0 HA ASP A 20 5.178 10.920 2.501 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.763 10.829 1.282 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.777 12.221 1.682 1.00 0.00 H new ATOM 309 N SER A 21 6.517 8.014 2.442 1.00 0.00 N ATOM 310 CA SER A 21 6.578 6.733 1.717 1.00 0.00 C ATOM 311 C SER A 21 5.165 6.143 1.625 1.00 0.00 C ATOM 312 O SER A 21 4.394 6.211 2.563 1.00 0.00 O ATOM 313 CB SER A 21 7.484 5.765 2.479 1.00 0.00 C ATOM 314 OG SER A 21 8.160 6.470 3.512 1.00 0.00 O ATOM 0 H SER A 21 6.767 7.969 3.430 1.00 0.00 H new ATOM 0 HA SER A 21 6.977 6.892 0.715 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.893 4.953 2.903 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.206 5.312 1.799 1.00 0.00 H new ATOM 0 HG SER A 21 8.741 5.852 4.004 1.00 0.00 H new ATOM 320 N CYS A 22 4.824 5.549 0.515 1.00 0.00 N ATOM 321 CA CYS A 22 3.484 4.936 0.370 1.00 0.00 C ATOM 322 C CYS A 22 3.731 3.499 -0.026 1.00 0.00 C ATOM 323 O CYS A 22 4.335 3.224 -1.043 1.00 0.00 O ATOM 324 CB CYS A 22 2.684 5.660 -0.713 1.00 0.00 C ATOM 325 SG CYS A 22 2.655 7.422 -0.335 1.00 0.00 S ATOM 0 H CYS A 22 5.427 5.464 -0.304 1.00 0.00 H new ATOM 0 HA CYS A 22 2.908 5.003 1.293 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.135 5.491 -1.691 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.668 5.267 -0.758 1.00 0.00 H new ATOM 330 N TYR A 23 3.330 2.577 0.781 1.00 0.00 N ATOM 331 CA TYR A 23 3.625 1.176 0.435 1.00 0.00 C ATOM 332 C TYR A 23 2.382 0.418 0.048 1.00 0.00 C ATOM 333 O TYR A 23 1.352 0.458 0.689 1.00 0.00 O ATOM 334 CB TYR A 23 4.355 0.484 1.591 1.00 0.00 C ATOM 335 CG TYR A 23 3.396 -0.076 2.626 1.00 0.00 C ATOM 336 CD1 TYR A 23 2.271 0.652 3.043 1.00 0.00 C ATOM 337 CD2 TYR A 23 3.654 -1.335 3.186 1.00 0.00 C ATOM 338 CE1 TYR A 23 1.412 0.118 4.013 1.00 0.00 C ATOM 339 CE2 TYR A 23 2.794 -1.866 4.153 1.00 0.00 C ATOM 340 CZ TYR A 23 1.673 -1.140 4.567 1.00 0.00 C ATOM 341 OH TYR A 23 0.826 -1.664 5.521 1.00 0.00 O ATOM 0 H TYR A 23 2.819 2.727 1.651 1.00 0.00 H new ATOM 0 HA TYR A 23 4.279 1.180 -0.437 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.972 -0.323 1.197 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.028 1.195 2.070 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.067 1.623 2.617 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.520 -1.897 2.870 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.547 0.679 4.334 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.996 -2.837 4.580 1.00 0.00 H new ATOM 0 HH TYR A 23 1.152 -2.545 5.799 1.00 0.00 H new ATOM 351 N LYS A 24 2.504 -0.284 -1.022 1.00 0.00 N ATOM 352 CA LYS A 24 1.386 -1.105 -1.518 1.00 0.00 C ATOM 353 C LYS A 24 1.901 -2.529 -1.640 1.00 0.00 C ATOM 354 O LYS A 24 2.785 -2.833 -2.416 1.00 0.00 O ATOM 355 CB LYS A 24 0.894 -0.538 -2.843 1.00 0.00 C ATOM 356 CG LYS A 24 0.224 -1.612 -3.689 1.00 0.00 C ATOM 357 CD LYS A 24 0.234 -1.142 -5.133 1.00 0.00 C ATOM 358 CE LYS A 24 -1.179 -0.737 -5.543 1.00 0.00 C ATOM 359 NZ LYS A 24 -1.590 -1.521 -6.742 1.00 0.00 N ATOM 0 H LYS A 24 3.351 -0.326 -1.589 1.00 0.00 H new ATOM 0 HA LYS A 24 0.532 -1.097 -0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.189 0.272 -2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.733 -0.110 -3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.754 -2.560 -3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.798 -1.782 -3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.914 -0.298 -5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.600 -1.937 -5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.873 -0.916 -4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.214 0.330 -5.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.945 -0.874 -7.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.772 -2.046 -7.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.341 -2.191 -6.478 1.00 0.00 H new ATOM 373 N ASN A 25 1.387 -3.380 -0.813 1.00 0.00 N ATOM 374 CA ASN A 25 1.858 -4.786 -0.774 1.00 0.00 C ATOM 375 C ASN A 25 0.694 -5.752 -0.996 1.00 0.00 C ATOM 376 O ASN A 25 -0.461 -5.396 -0.861 1.00 0.00 O ATOM 377 CB ASN A 25 2.474 -5.036 0.612 1.00 0.00 C ATOM 378 CG ASN A 25 1.815 -4.118 1.647 1.00 0.00 C ATOM 379 OD1 ASN A 25 2.003 -2.826 1.560 1.00 0.00 O flip ATOM 380 ND2 ASN A 25 1.127 -4.576 2.538 1.00 0.00 N flip ATOM 0 H ASN A 25 0.646 -3.160 -0.148 1.00 0.00 H new ATOM 0 HA ASN A 25 2.591 -4.952 -1.563 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.337 -6.079 0.898 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.548 -4.852 0.581 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.982 -5.583 2.604 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.695 -3.953 3.220 1.00 0.00 H new ATOM 387 N ILE A 26 0.997 -6.978 -1.327 1.00 0.00 N ATOM 388 CA ILE A 26 -0.078 -7.985 -1.547 1.00 0.00 C ATOM 389 C ILE A 26 -0.364 -8.699 -0.226 1.00 0.00 C ATOM 390 O ILE A 26 -1.448 -9.197 0.006 1.00 0.00 O ATOM 391 CB ILE A 26 0.385 -9.006 -2.589 1.00 0.00 C ATOM 392 CG1 ILE A 26 1.442 -9.925 -1.969 1.00 0.00 C ATOM 393 CG2 ILE A 26 0.992 -8.277 -3.789 1.00 0.00 C ATOM 394 CD1 ILE A 26 0.752 -11.117 -1.301 1.00 0.00 C ATOM 0 H ILE A 26 1.947 -7.326 -1.455 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.981 -7.491 -1.904 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.469 -9.598 -2.917 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.132 -10.274 -2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.033 -9.375 -1.236 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.321 -9.006 -4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.243 -7.621 -4.233 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.845 -7.683 -3.461 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.503 -11.772 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.080 -10.758 -0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.181 -11.671 -2.046 1.00 0.00 H new ATOM 406 N TRP A 27 0.607 -8.749 0.643 1.00 0.00 N ATOM 407 CA TRP A 27 0.403 -9.423 1.953 1.00 0.00 C ATOM 408 C TRP A 27 -0.684 -8.691 2.730 1.00 0.00 C ATOM 409 O TRP A 27 -0.634 -7.488 2.898 1.00 0.00 O ATOM 410 CB TRP A 27 1.699 -9.368 2.756 1.00 0.00 C ATOM 411 CG TRP A 27 2.847 -9.802 1.898 1.00 0.00 C ATOM 412 CD1 TRP A 27 3.697 -8.971 1.248 1.00 0.00 C ATOM 413 CD2 TRP A 27 3.285 -11.156 1.588 1.00 0.00 C ATOM 414 NE1 TRP A 27 4.629 -9.731 0.562 1.00 0.00 N ATOM 415 CE2 TRP A 27 4.414 -11.083 0.739 1.00 0.00 C ATOM 416 CE3 TRP A 27 2.816 -12.429 1.958 1.00 0.00 C ATOM 417 CZ2 TRP A 27 5.056 -12.232 0.274 1.00 0.00 C ATOM 418 CZ3 TRP A 27 3.458 -13.588 1.493 1.00 0.00 C ATOM 419 CH2 TRP A 27 4.576 -13.489 0.653 1.00 0.00 C ATOM 0 H TRP A 27 1.535 -8.351 0.501 1.00 0.00 H new ATOM 0 HA TRP A 27 0.111 -10.460 1.787 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.869 -8.355 3.121 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.623 -10.013 3.631 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.654 -7.892 1.263 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.382 -9.340 -0.004 1.00 0.00 H new ATOM 0 HE3 TRP A 27 1.955 -12.516 2.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 5.917 -12.150 -0.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.089 -14.560 1.784 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.066 -14.384 0.299 1.00 0.00 H new ATOM 430 N THR A 28 -1.669 -9.393 3.207 1.00 0.00 N ATOM 431 CA THR A 28 -2.745 -8.713 3.970 1.00 0.00 C ATOM 432 C THR A 28 -3.480 -9.725 4.851 1.00 0.00 C ATOM 433 O THR A 28 -2.911 -10.700 5.300 1.00 0.00 O ATOM 434 CB THR A 28 -3.713 -8.066 2.985 1.00 0.00 C ATOM 435 OG1 THR A 28 -4.552 -7.150 3.676 1.00 0.00 O ATOM 436 CG2 THR A 28 -4.567 -9.146 2.315 1.00 0.00 C ATOM 0 H THR A 28 -1.775 -10.402 3.102 1.00 0.00 H new ATOM 0 HA THR A 28 -2.315 -7.946 4.614 1.00 0.00 H new ATOM 0 HB THR A 28 -3.148 -7.532 2.221 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.173 -6.733 3.043 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.257 -8.680 1.612 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.920 -9.842 1.781 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.132 -9.686 3.075 1.00 0.00 H new ATOM 444 N PHE A 29 -4.737 -9.496 5.110 1.00 0.00 N ATOM 445 CA PHE A 29 -5.501 -10.442 5.970 1.00 0.00 C ATOM 446 C PHE A 29 -6.533 -11.192 5.124 1.00 0.00 C ATOM 447 O PHE A 29 -6.366 -12.354 4.812 1.00 0.00 O ATOM 448 CB PHE A 29 -6.213 -9.656 7.073 1.00 0.00 C ATOM 449 CG PHE A 29 -6.099 -10.405 8.379 1.00 0.00 C ATOM 450 CD1 PHE A 29 -4.954 -10.259 9.172 1.00 0.00 C ATOM 451 CD2 PHE A 29 -7.138 -11.244 8.798 1.00 0.00 C ATOM 452 CE1 PHE A 29 -4.849 -10.951 10.384 1.00 0.00 C ATOM 453 CE2 PHE A 29 -7.034 -11.936 10.010 1.00 0.00 C ATOM 454 CZ PHE A 29 -5.890 -11.790 10.803 1.00 0.00 C ATOM 0 H PHE A 29 -5.268 -8.696 4.764 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.816 -11.162 6.417 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.771 -8.664 7.171 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.262 -9.514 6.814 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.152 -9.612 8.848 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.020 -11.357 8.186 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.966 -10.838 10.996 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -7.836 -12.583 10.333 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.810 -12.324 11.738 1.00 0.00 H new ATOM 464 N ASP A 30 -7.601 -10.539 4.754 1.00 0.00 N ATOM 465 CA ASP A 30 -8.643 -11.217 3.933 1.00 0.00 C ATOM 466 C ASP A 30 -8.668 -10.601 2.532 1.00 0.00 C ATOM 467 O ASP A 30 -9.169 -11.189 1.594 1.00 0.00 O ATOM 468 CB ASP A 30 -10.010 -11.035 4.597 1.00 0.00 C ATOM 469 CG ASP A 30 -10.523 -12.389 5.092 1.00 0.00 C ATOM 470 OD1 ASP A 30 -9.710 -13.180 5.542 1.00 0.00 O ATOM 471 OD2 ASP A 30 -11.719 -12.612 5.012 1.00 0.00 O ATOM 0 H ASP A 30 -7.797 -9.565 4.985 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.414 -12.280 3.857 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.931 -10.338 5.431 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.716 -10.604 3.887 1.00 0.00 H new ATOM 476 N ASN A 31 -8.127 -9.423 2.385 1.00 0.00 N ATOM 477 CA ASN A 31 -8.117 -8.773 1.045 1.00 0.00 C ATOM 478 C ASN A 31 -6.872 -9.230 0.275 1.00 0.00 C ATOM 479 O ASN A 31 -6.537 -10.397 0.270 1.00 0.00 O ATOM 480 CB ASN A 31 -8.101 -7.252 1.219 1.00 0.00 C ATOM 481 CG ASN A 31 -9.164 -6.847 2.240 1.00 0.00 C ATOM 482 OD1 ASN A 31 -10.426 -6.960 1.928 1.00 0.00 O flip ATOM 483 ND2 ASN A 31 -8.845 -6.424 3.334 1.00 0.00 N flip ATOM 0 H ASN A 31 -7.692 -8.884 3.134 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.009 -9.056 0.486 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.117 -6.923 1.552 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.293 -6.764 0.264 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.859 -6.335 3.579 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.564 -6.158 4.007 1.00 0.00 H new ATOM 490 N ILE A 32 -6.182 -8.331 -0.380 1.00 0.00 N ATOM 491 CA ILE A 32 -4.970 -8.744 -1.140 1.00 0.00 C ATOM 492 C ILE A 32 -3.996 -7.565 -1.247 1.00 0.00 C ATOM 493 O ILE A 32 -2.961 -7.546 -0.612 1.00 0.00 O ATOM 494 CB ILE A 32 -5.381 -9.234 -2.541 1.00 0.00 C ATOM 495 CG1 ILE A 32 -4.180 -9.173 -3.490 1.00 0.00 C ATOM 496 CG2 ILE A 32 -6.518 -8.375 -3.104 1.00 0.00 C ATOM 497 CD1 ILE A 32 -3.108 -10.157 -3.019 1.00 0.00 C ATOM 0 H ILE A 32 -6.405 -7.337 -0.420 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.472 -9.559 -0.615 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.727 -10.264 -2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.492 -9.417 -4.505 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.774 -8.162 -3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.793 -8.739 -4.094 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.382 -8.436 -2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.189 -7.338 -3.176 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.253 -10.114 -3.694 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.788 -9.892 -2.011 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.517 -11.167 -3.016 1.00 0.00 H new ATOM 509 N ILE A 33 -4.313 -6.584 -2.042 1.00 0.00 N ATOM 510 CA ILE A 33 -3.391 -5.418 -2.179 1.00 0.00 C ATOM 511 C ILE A 33 -3.750 -4.369 -1.140 1.00 0.00 C ATOM 512 O ILE A 33 -4.903 -4.162 -0.820 1.00 0.00 O ATOM 513 CB ILE A 33 -3.533 -4.793 -3.567 1.00 0.00 C ATOM 514 CG1 ILE A 33 -3.772 -5.890 -4.596 1.00 0.00 C ATOM 515 CG2 ILE A 33 -2.253 -4.033 -3.926 1.00 0.00 C ATOM 516 CD1 ILE A 33 -2.497 -6.714 -4.759 1.00 0.00 C ATOM 0 H ILE A 33 -5.165 -6.536 -2.601 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.367 -5.762 -2.036 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.376 -4.102 -3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.595 -6.530 -4.278 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.060 -5.452 -5.551 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.359 -3.589 -4.916 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.079 -3.246 -3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.408 -4.722 -3.926 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.664 -7.501 -5.495 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.687 -6.068 -5.096 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.229 -7.163 -3.803 1.00 0.00 H new ATOM 528 N ARG A 34 -2.773 -3.693 -0.619 1.00 0.00 N ATOM 529 CA ARG A 34 -3.069 -2.644 0.386 1.00 0.00 C ATOM 530 C ARG A 34 -2.096 -1.485 0.239 1.00 0.00 C ATOM 531 O ARG A 34 -0.915 -1.610 0.487 1.00 0.00 O ATOM 532 CB ARG A 34 -2.960 -3.207 1.791 1.00 0.00 C ATOM 533 CG ARG A 34 -3.721 -2.282 2.734 1.00 0.00 C ATOM 534 CD ARG A 34 -3.846 -2.936 4.108 1.00 0.00 C ATOM 535 NE ARG A 34 -3.827 -1.885 5.165 1.00 0.00 N ATOM 536 CZ ARG A 34 -4.443 -2.091 6.297 1.00 0.00 C ATOM 537 NH1 ARG A 34 -5.697 -2.456 6.299 1.00 0.00 N ATOM 538 NH2 ARG A 34 -3.808 -1.932 7.425 1.00 0.00 N ATOM 0 H ARG A 34 -1.786 -3.820 -0.844 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.086 -2.291 0.217 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.374 -4.214 1.830 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.915 -3.280 2.091 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.201 -1.328 2.821 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.711 -2.070 2.330 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.772 -3.508 4.167 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.027 -3.638 4.264 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.334 -1.007 5.004 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.194 -2.580 5.417 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.180 -2.617 7.183 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.829 -1.646 7.423 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.291 -2.093 8.309 1.00 0.00 H new ATOM 552 N ARG A 35 -2.601 -0.356 -0.146 1.00 0.00 N ATOM 553 CA ARG A 35 -1.743 0.846 -0.310 1.00 0.00 C ATOM 554 C ARG A 35 -1.827 1.702 0.954 1.00 0.00 C ATOM 555 O ARG A 35 -2.878 2.184 1.328 1.00 0.00 O ATOM 556 CB ARG A 35 -2.219 1.637 -1.529 1.00 0.00 C ATOM 557 CG ARG A 35 -2.102 0.763 -2.775 1.00 0.00 C ATOM 558 CD ARG A 35 -3.414 0.824 -3.550 1.00 0.00 C ATOM 559 NE ARG A 35 -3.146 1.192 -4.969 1.00 0.00 N ATOM 560 CZ ARG A 35 -3.909 0.724 -5.919 1.00 0.00 C ATOM 561 NH1 ARG A 35 -4.028 -0.565 -6.085 1.00 0.00 N ATOM 562 NH2 ARG A 35 -4.555 1.544 -6.701 1.00 0.00 N ATOM 0 H ARG A 35 -3.588 -0.209 -0.358 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.705 0.551 -0.464 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.252 1.955 -1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.621 2.540 -1.647 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.279 1.108 -3.401 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.879 -0.266 -2.493 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.919 -0.141 -3.504 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.082 1.555 -3.095 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.367 1.809 -5.198 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.525 -1.207 -5.472 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.624 -0.931 -6.827 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.464 2.551 -6.570 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.151 1.178 -7.443 1.00 0.00 H new ATOM 576 N GLY A 36 -0.724 1.872 1.628 1.00 0.00 N ATOM 577 CA GLY A 36 -0.721 2.679 2.881 1.00 0.00 C ATOM 578 C GLY A 36 0.407 3.709 2.835 1.00 0.00 C ATOM 579 O GLY A 36 0.784 4.197 1.788 1.00 0.00 O ATOM 0 H GLY A 36 0.182 1.484 1.363 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.680 3.183 3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.593 2.026 3.744 1.00 0.00 H new ATOM 583 N CYS A 37 0.944 4.033 3.972 1.00 0.00 N ATOM 584 CA CYS A 37 2.048 5.028 4.034 1.00 0.00 C ATOM 585 C CYS A 37 3.215 4.409 4.792 1.00 0.00 C ATOM 586 O CYS A 37 3.074 3.993 5.926 1.00 0.00 O ATOM 587 CB CYS A 37 1.568 6.270 4.780 1.00 0.00 C ATOM 588 SG CYS A 37 1.062 5.808 6.455 1.00 0.00 S ATOM 0 H CYS A 37 0.663 3.647 4.873 1.00 0.00 H new ATOM 0 HA CYS A 37 2.358 5.307 3.027 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.364 7.013 4.821 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.733 6.726 4.249 1.00 0.00 H new ATOM 593 N GLY A 38 4.358 4.316 4.182 1.00 0.00 N ATOM 594 CA GLY A 38 5.504 3.693 4.882 1.00 0.00 C ATOM 595 C GLY A 38 5.722 2.327 4.257 1.00 0.00 C ATOM 596 O GLY A 38 4.783 1.613 3.978 1.00 0.00 O ATOM 0 H GLY A 38 4.546 4.643 3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.397 4.309 4.782 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.299 3.600 5.949 1.00 0.00 H new ATOM 600 N CYS A 39 6.941 1.969 4.016 1.00 0.00 N ATOM 601 CA CYS A 39 7.206 0.650 3.359 1.00 0.00 C ATOM 602 C CYS A 39 6.667 -0.492 4.217 1.00 0.00 C ATOM 603 O CYS A 39 6.311 -0.320 5.365 1.00 0.00 O ATOM 604 CB CYS A 39 8.708 0.445 3.153 1.00 0.00 C ATOM 605 SG CYS A 39 9.383 1.816 2.187 1.00 0.00 S ATOM 0 H CYS A 39 7.769 2.521 4.240 1.00 0.00 H new ATOM 0 HA CYS A 39 6.702 0.651 2.393 1.00 0.00 H new ATOM 0 HB2 CYS A 39 9.212 0.384 4.117 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.889 -0.499 2.639 1.00 0.00 H new ATOM 610 N PHE A 40 6.599 -1.660 3.642 1.00 0.00 N ATOM 611 CA PHE A 40 6.074 -2.841 4.389 1.00 0.00 C ATOM 612 C PHE A 40 7.034 -3.184 5.522 1.00 0.00 C ATOM 613 O PHE A 40 8.023 -2.513 5.742 1.00 0.00 O ATOM 614 CB PHE A 40 5.929 -4.060 3.455 1.00 0.00 C ATOM 615 CG PHE A 40 6.779 -3.859 2.227 1.00 0.00 C ATOM 616 CD1 PHE A 40 8.110 -4.275 2.227 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.242 -3.213 1.109 1.00 0.00 C ATOM 618 CE1 PHE A 40 8.914 -4.049 1.103 1.00 0.00 C ATOM 619 CE2 PHE A 40 7.039 -2.988 -0.019 1.00 0.00 C ATOM 620 CZ PHE A 40 8.379 -3.404 -0.023 1.00 0.00 C ATOM 0 H PHE A 40 6.886 -1.850 2.682 1.00 0.00 H new ATOM 0 HA PHE A 40 5.091 -2.593 4.790 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.233 -4.968 3.976 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.885 -4.190 3.170 1.00 0.00 H new ATOM 0 HD1 PHE A 40 8.521 -4.771 3.094 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.212 -2.888 1.116 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.945 -4.371 1.103 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.623 -2.495 -0.885 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.998 -3.228 -0.891 1.00 0.00 H new ATOM 630 N THR A 41 6.730 -4.205 6.263 1.00 0.00 N ATOM 631 CA THR A 41 7.602 -4.578 7.413 1.00 0.00 C ATOM 632 C THR A 41 8.709 -5.573 6.999 1.00 0.00 C ATOM 633 O THR A 41 9.868 -5.332 7.274 1.00 0.00 O ATOM 634 CB THR A 41 6.726 -5.155 8.545 1.00 0.00 C ATOM 635 OG1 THR A 41 6.348 -4.099 9.418 1.00 0.00 O ATOM 636 CG2 THR A 41 7.492 -6.214 9.347 1.00 0.00 C ATOM 0 H THR A 41 5.914 -4.802 6.125 1.00 0.00 H new ATOM 0 HA THR A 41 8.111 -3.682 7.770 1.00 0.00 H new ATOM 0 HB THR A 41 5.847 -5.623 8.102 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.789 -4.456 10.140 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.852 -6.604 10.138 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.788 -7.028 8.685 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.381 -5.764 9.788 1.00 0.00 H new ATOM 644 N PRO A 42 8.335 -6.675 6.395 1.00 0.00 N ATOM 645 CA PRO A 42 9.296 -7.716 6.000 1.00 0.00 C ATOM 646 C PRO A 42 9.910 -7.422 4.630 1.00 0.00 C ATOM 647 O PRO A 42 9.985 -8.289 3.782 1.00 0.00 O ATOM 648 CB PRO A 42 8.437 -8.981 5.943 1.00 0.00 C ATOM 649 CG PRO A 42 6.975 -8.509 5.738 1.00 0.00 C ATOM 650 CD PRO A 42 6.943 -7.000 6.050 1.00 0.00 C ATOM 0 HA PRO A 42 10.138 -7.792 6.688 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.754 -9.629 5.126 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.533 -9.558 6.863 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.648 -8.699 4.716 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.298 -9.054 6.396 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.600 -6.423 5.191 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.266 -6.778 6.875 1.00 0.00 H new ATOM 658 N ARG A 43 10.366 -6.221 4.401 1.00 0.00 N ATOM 659 CA ARG A 43 10.985 -5.923 3.081 1.00 0.00 C ATOM 660 C ARG A 43 12.091 -6.936 2.822 1.00 0.00 C ATOM 661 O ARG A 43 12.630 -7.523 3.738 1.00 0.00 O ATOM 662 CB ARG A 43 11.595 -4.524 3.092 1.00 0.00 C ATOM 663 CG ARG A 43 12.484 -4.362 4.327 1.00 0.00 C ATOM 664 CD ARG A 43 13.031 -2.935 4.381 1.00 0.00 C ATOM 665 NE ARG A 43 13.825 -2.662 3.150 1.00 0.00 N ATOM 666 CZ ARG A 43 14.473 -1.536 3.030 1.00 0.00 C ATOM 667 NH1 ARG A 43 15.071 -1.013 4.065 1.00 0.00 N ATOM 668 NH2 ARG A 43 14.522 -0.931 1.874 1.00 0.00 N ATOM 0 H ARG A 43 10.337 -5.444 5.061 1.00 0.00 H new ATOM 0 HA ARG A 43 10.223 -5.978 2.304 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.180 -4.364 2.186 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.806 -3.772 3.098 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.913 -4.578 5.230 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.306 -5.077 4.292 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.210 -2.222 4.463 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.655 -2.806 5.265 1.00 0.00 H new ATOM 0 HE ARG A 43 13.862 -3.355 2.402 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.032 -1.484 4.969 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.577 -0.133 3.970 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.054 -1.339 1.065 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.029 -0.051 1.780 1.00 0.00 H new ATOM 682 N GLY A 44 12.445 -7.145 1.590 1.00 0.00 N ATOM 683 CA GLY A 44 13.521 -8.117 1.305 1.00 0.00 C ATOM 684 C GLY A 44 13.437 -8.585 -0.147 1.00 0.00 C ATOM 685 O GLY A 44 12.691 -8.048 -0.942 1.00 0.00 O ATOM 0 H GLY A 44 12.037 -6.687 0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 44 14.493 -7.660 1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.436 -8.972 1.976 1.00 0.00 H new ATOM 689 N ASP A 45 14.203 -9.580 -0.501 1.00 0.00 N ATOM 690 CA ASP A 45 14.178 -10.082 -1.903 1.00 0.00 C ATOM 691 C ASP A 45 13.191 -11.247 -2.030 1.00 0.00 C ATOM 692 O ASP A 45 12.945 -11.741 -3.112 1.00 0.00 O ATOM 693 CB ASP A 45 15.577 -10.558 -2.296 1.00 0.00 C ATOM 694 CG ASP A 45 16.160 -11.414 -1.169 1.00 0.00 C ATOM 695 OD1 ASP A 45 15.508 -12.367 -0.778 1.00 0.00 O ATOM 696 OD2 ASP A 45 17.251 -11.102 -0.717 1.00 0.00 O ATOM 0 H ASP A 45 14.847 -10.068 0.122 1.00 0.00 H new ATOM 0 HA ASP A 45 13.862 -9.275 -2.564 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.530 -11.136 -3.219 1.00 0.00 H new ATOM 0 HB3 ASP A 45 16.223 -9.702 -2.488 1.00 0.00 H new ATOM 701 N MET A 46 12.622 -11.695 -0.942 1.00 0.00 N ATOM 702 CA MET A 46 11.657 -12.831 -1.036 1.00 0.00 C ATOM 703 C MET A 46 10.282 -12.296 -1.444 1.00 0.00 C ATOM 704 O MET A 46 9.690 -12.777 -2.390 1.00 0.00 O ATOM 705 CB MET A 46 11.550 -13.574 0.306 1.00 0.00 C ATOM 706 CG MET A 46 12.734 -13.213 1.208 1.00 0.00 C ATOM 707 SD MET A 46 12.859 -14.423 2.548 1.00 0.00 S ATOM 708 CE MET A 46 14.278 -15.335 1.895 1.00 0.00 C ATOM 0 H MET A 46 12.780 -11.329 -0.003 1.00 0.00 H new ATOM 0 HA MET A 46 12.018 -13.534 -1.787 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.614 -13.313 0.800 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.530 -14.650 0.133 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.657 -13.200 0.628 1.00 0.00 H new ATOM 0 HG3 MET A 46 12.601 -12.212 1.618 1.00 0.00 H new ATOM 0 HE1 MET A 46 14.534 -16.146 2.577 1.00 0.00 H new ATOM 0 HE2 MET A 46 14.027 -15.748 0.918 1.00 0.00 H new ATOM 0 HE3 MET A 46 15.129 -14.661 1.796 1.00 0.00 H new ATOM 718 N PRO A 47 9.816 -11.310 -0.723 1.00 0.00 N ATOM 719 CA PRO A 47 8.518 -10.677 -0.989 1.00 0.00 C ATOM 720 C PRO A 47 8.688 -9.614 -2.077 1.00 0.00 C ATOM 721 O PRO A 47 9.792 -9.215 -2.390 1.00 0.00 O ATOM 722 CB PRO A 47 8.156 -10.036 0.353 1.00 0.00 C ATOM 723 CG PRO A 47 9.490 -9.838 1.118 1.00 0.00 C ATOM 724 CD PRO A 47 10.535 -10.735 0.429 1.00 0.00 C ATOM 0 HA PRO A 47 7.751 -11.367 -1.340 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.649 -9.083 0.204 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.476 -10.674 0.917 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.800 -8.793 1.091 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.378 -10.111 2.167 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.404 -10.160 0.109 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.897 -11.513 1.101 1.00 0.00 H new ATOM 732 N GLY A 48 7.620 -9.147 -2.658 1.00 0.00 N ATOM 733 CA GLY A 48 7.763 -8.115 -3.714 1.00 0.00 C ATOM 734 C GLY A 48 6.619 -7.097 -3.642 1.00 0.00 C ATOM 735 O GLY A 48 5.951 -6.860 -4.628 1.00 0.00 O ATOM 0 H GLY A 48 6.664 -9.433 -2.449 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.719 -7.603 -3.601 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.771 -8.591 -4.695 1.00 0.00 H new ATOM 739 N PRO A 49 6.434 -6.505 -2.488 1.00 0.00 N ATOM 740 CA PRO A 49 5.390 -5.492 -2.290 1.00 0.00 C ATOM 741 C PRO A 49 5.857 -4.140 -2.850 1.00 0.00 C ATOM 742 O PRO A 49 6.795 -4.082 -3.620 1.00 0.00 O ATOM 743 CB PRO A 49 5.204 -5.461 -0.776 1.00 0.00 C ATOM 744 CG PRO A 49 6.498 -6.039 -0.153 1.00 0.00 C ATOM 745 CD PRO A 49 7.235 -6.786 -1.276 1.00 0.00 C ATOM 0 HA PRO A 49 4.455 -5.712 -2.806 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.030 -4.443 -0.429 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.336 -6.051 -0.481 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.120 -5.242 0.255 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.263 -6.713 0.671 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.260 -6.430 -1.385 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.289 -7.856 -1.074 1.00 0.00 H new ATOM 753 N TYR A 50 5.204 -3.055 -2.513 1.00 0.00 N ATOM 754 CA TYR A 50 5.633 -1.745 -3.092 1.00 0.00 C ATOM 755 C TYR A 50 5.804 -0.655 -2.022 1.00 0.00 C ATOM 756 O TYR A 50 5.202 -0.682 -0.967 1.00 0.00 O ATOM 757 CB TYR A 50 4.585 -1.282 -4.107 1.00 0.00 C ATOM 758 CG TYR A 50 5.233 -1.131 -5.463 1.00 0.00 C ATOM 759 CD1 TYR A 50 5.776 -2.250 -6.106 1.00 0.00 C ATOM 760 CD2 TYR A 50 5.291 0.126 -6.076 1.00 0.00 C ATOM 761 CE1 TYR A 50 6.378 -2.111 -7.363 1.00 0.00 C ATOM 762 CE2 TYR A 50 5.892 0.265 -7.332 1.00 0.00 C ATOM 763 CZ TYR A 50 6.436 -0.853 -7.976 1.00 0.00 C ATOM 764 OH TYR A 50 7.030 -0.717 -9.214 1.00 0.00 O ATOM 0 H TYR A 50 4.409 -3.018 -1.875 1.00 0.00 H new ATOM 0 HA TYR A 50 6.603 -1.898 -3.566 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.770 -2.004 -4.160 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.151 -0.333 -3.791 1.00 0.00 H new ATOM 0 HD1 TYR A 50 5.731 -3.220 -5.633 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.872 0.989 -5.580 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.797 -2.974 -7.859 1.00 0.00 H new ATOM 0 HE2 TYR A 50 5.936 1.235 -7.805 1.00 0.00 H new ATOM 0 HH TYR A 50 6.985 0.220 -9.497 1.00 0.00 H new ATOM 774 N CYS A 51 6.619 0.320 -2.335 1.00 0.00 N ATOM 775 CA CYS A 51 6.874 1.477 -1.424 1.00 0.00 C ATOM 776 C CYS A 51 7.346 2.637 -2.297 1.00 0.00 C ATOM 777 O CYS A 51 8.078 2.452 -3.249 1.00 0.00 O ATOM 778 CB CYS A 51 7.974 1.152 -0.420 1.00 0.00 C ATOM 779 SG CYS A 51 7.868 2.327 0.956 1.00 0.00 S ATOM 0 H CYS A 51 7.135 0.362 -3.214 1.00 0.00 H new ATOM 0 HA CYS A 51 5.965 1.717 -0.872 1.00 0.00 H new ATOM 0 HB2 CYS A 51 7.863 0.131 -0.055 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.952 1.215 -0.897 1.00 0.00 H new ATOM 784 N CYS A 52 6.947 3.825 -1.982 1.00 0.00 N ATOM 785 CA CYS A 52 7.382 5.000 -2.790 1.00 0.00 C ATOM 786 C CYS A 52 7.301 6.225 -1.917 1.00 0.00 C ATOM 787 O CYS A 52 6.586 6.249 -0.951 1.00 0.00 O ATOM 788 CB CYS A 52 6.468 5.196 -3.989 1.00 0.00 C ATOM 789 SG CYS A 52 6.863 6.755 -4.818 1.00 0.00 S ATOM 0 H CYS A 52 6.334 4.043 -1.196 1.00 0.00 H new ATOM 0 HA CYS A 52 8.398 4.835 -3.147 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.584 4.365 -4.685 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.427 5.199 -3.667 1.00 0.00 H new ATOM 794 N GLU A 53 8.022 7.239 -2.251 1.00 0.00 N ATOM 795 CA GLU A 53 7.987 8.472 -1.415 1.00 0.00 C ATOM 796 C GLU A 53 7.263 9.597 -2.150 1.00 0.00 C ATOM 797 O GLU A 53 7.835 10.624 -2.455 1.00 0.00 O ATOM 798 CB GLU A 53 9.415 8.902 -1.084 1.00 0.00 C ATOM 799 CG GLU A 53 10.291 7.661 -0.907 1.00 0.00 C ATOM 800 CD GLU A 53 11.669 8.079 -0.390 1.00 0.00 C ATOM 801 OE1 GLU A 53 12.061 9.204 -0.650 1.00 0.00 O ATOM 802 OE2 GLU A 53 12.308 7.266 0.259 1.00 0.00 O ATOM 0 H GLU A 53 8.637 7.278 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 53 7.447 8.259 -0.493 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.812 9.530 -1.882 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.424 9.500 -0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.823 6.969 -0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.391 7.135 -1.856 1.00 0.00 H new ATOM 809 N SER A 54 6.002 9.416 -2.422 1.00 0.00 N ATOM 810 CA SER A 54 5.229 10.479 -3.118 1.00 0.00 C ATOM 811 C SER A 54 3.743 10.235 -2.891 1.00 0.00 C ATOM 812 O SER A 54 3.335 9.143 -2.536 1.00 0.00 O ATOM 813 CB SER A 54 5.527 10.446 -4.610 1.00 0.00 C ATOM 814 OG SER A 54 6.921 10.257 -4.810 1.00 0.00 O ATOM 0 H SER A 54 5.472 8.575 -2.191 1.00 0.00 H new ATOM 0 HA SER A 54 5.512 11.455 -2.723 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.968 9.640 -5.086 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.205 11.377 -5.077 1.00 0.00 H new ATOM 0 HG SER A 54 7.418 10.715 -4.101 1.00 0.00 H new ATOM 820 N ASP A 55 2.912 11.221 -3.084 1.00 0.00 N ATOM 821 CA ASP A 55 1.471 10.964 -2.851 1.00 0.00 C ATOM 822 C ASP A 55 0.911 10.111 -3.971 1.00 0.00 C ATOM 823 O ASP A 55 1.435 10.060 -5.067 1.00 0.00 O ATOM 824 CB ASP A 55 0.640 12.247 -2.729 1.00 0.00 C ATOM 825 CG ASP A 55 1.509 13.493 -2.819 1.00 0.00 C ATOM 826 OD1 ASP A 55 2.375 13.536 -3.678 1.00 0.00 O ATOM 827 OD2 ASP A 55 1.288 14.390 -2.017 1.00 0.00 O ATOM 0 H ASP A 55 3.160 12.164 -3.384 1.00 0.00 H new ATOM 0 HA ASP A 55 1.400 10.442 -1.897 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -0.111 12.270 -3.518 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.105 12.245 -1.779 1.00 0.00 H new ATOM 832 N LYS A 56 -0.157 9.432 -3.685 1.00 0.00 N ATOM 833 CA LYS A 56 -0.785 8.549 -4.705 1.00 0.00 C ATOM 834 C LYS A 56 0.311 7.800 -5.467 1.00 0.00 C ATOM 835 O LYS A 56 0.152 7.454 -6.621 1.00 0.00 O ATOM 836 CB LYS A 56 -1.597 9.401 -5.685 1.00 0.00 C ATOM 837 CG LYS A 56 -2.582 10.276 -4.908 1.00 0.00 C ATOM 838 CD LYS A 56 -3.776 10.621 -5.801 1.00 0.00 C ATOM 839 CE LYS A 56 -3.279 11.304 -7.078 1.00 0.00 C ATOM 840 NZ LYS A 56 -4.446 11.801 -7.862 1.00 0.00 N ATOM 0 H LYS A 56 -0.629 9.449 -2.781 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.444 7.833 -4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.930 10.026 -6.279 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.136 8.759 -6.381 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.922 9.753 -4.014 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.089 11.189 -4.574 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.329 9.716 -6.052 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.464 11.278 -5.269 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.617 12.133 -6.826 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.698 10.602 -7.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.109 12.265 -8.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.061 11.001 -8.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.983 12.484 -7.290 1.00 0.00 H new ATOM 854 N CYS A 57 1.433 7.561 -4.836 1.00 0.00 N ATOM 855 CA CYS A 57 2.545 6.852 -5.534 1.00 0.00 C ATOM 856 C CYS A 57 2.272 5.344 -5.606 1.00 0.00 C ATOM 857 O CYS A 57 2.777 4.666 -6.477 1.00 0.00 O ATOM 858 CB CYS A 57 3.853 7.096 -4.780 1.00 0.00 C ATOM 859 SG CYS A 57 5.233 7.128 -5.953 1.00 0.00 S ATOM 0 H CYS A 57 1.626 7.826 -3.870 1.00 0.00 H new ATOM 0 HA CYS A 57 2.621 7.239 -6.550 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.801 8.040 -4.238 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.010 6.311 -4.040 1.00 0.00 H new ATOM 864 N ASN A 58 1.488 4.800 -4.711 1.00 0.00 N ATOM 865 CA ASN A 58 1.219 3.347 -4.767 1.00 0.00 C ATOM 866 C ASN A 58 -0.113 3.106 -5.482 1.00 0.00 C ATOM 867 O ASN A 58 -0.901 2.273 -5.085 1.00 0.00 O ATOM 868 CB ASN A 58 1.181 2.757 -3.348 1.00 0.00 C ATOM 869 CG ASN A 58 0.488 3.718 -2.374 1.00 0.00 C ATOM 870 OD1 ASN A 58 0.169 4.835 -2.721 1.00 0.00 O ATOM 871 ND2 ASN A 58 0.255 3.328 -1.146 1.00 0.00 N ATOM 0 H ASN A 58 1.029 5.302 -3.951 1.00 0.00 H new ATOM 0 HA ASN A 58 2.018 2.853 -5.320 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.654 1.803 -3.361 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.196 2.556 -3.006 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.193 3.963 -0.486 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.522 2.389 -0.850 1.00 0.00 H new ATOM 878 N LEU A 59 -0.360 3.830 -6.540 1.00 0.00 N ATOM 879 CA LEU A 59 -1.632 3.651 -7.300 1.00 0.00 C ATOM 880 C LEU A 59 -1.588 2.313 -8.044 1.00 0.00 C ATOM 881 O LEU A 59 -2.633 1.702 -8.190 1.00 0.00 O ATOM 882 CB LEU A 59 -1.781 4.808 -8.301 1.00 0.00 C ATOM 883 CG LEU A 59 -2.970 4.568 -9.242 1.00 0.00 C ATOM 884 CD1 LEU A 59 -2.581 3.558 -10.325 1.00 0.00 C ATOM 885 CD2 LEU A 59 -4.165 4.033 -8.447 1.00 0.00 C ATOM 886 OXT LEU A 59 -0.507 1.922 -8.454 1.00 0.00 O ATOM 0 H LEU A 59 0.268 4.542 -6.913 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.483 3.652 -6.619 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.922 5.745 -7.762 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.866 4.910 -8.884 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.245 5.512 -9.712 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.429 3.392 -10.989 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.740 3.947 -10.900 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.296 2.615 -9.858 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.005 3.865 -9.121 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.891 3.093 -7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.450 4.759 -7.686 1.00 0.00 H new