USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 525 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 46 GLN : amide:sc= -1.05 K(o=0.53,f=-15!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -114:sc= 1.57 (180deg=-1.51) USER MOD Set 2.1: A 24 THR OG1 : rot 98:sc= 1.24 USER MOD Set 2.2: A 33 THR OG1 : rot 10:sc= 1.45 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 160:sc= -1.86! (180deg=-2.93!) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.0843 F(o=-2.2!,f=-0.084) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.022 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.75! C(o=-1.8!,f=-5.3!) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.179 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -4.75! C(o=-4.8!,f=-8.9!) USER MOD Single : A 56 LYS NZ :NH3+ 175:sc= 1.18 (180deg=0.888) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.724 USER MOD Single : A 59 GLN : amide:sc= 0.215 K(o=0.21,f=-0.94) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 69 THR OG1 : rot 62:sc= 1.15 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 74:sc= 1.2 USER MOD Single : A 84 ASN : amide:sc= 0.558 K(o=0.56,f=-10!) USER MOD Single : A 86 SER OG : rot -129:sc= 1.23 USER MOD Single : A 88 GLN : amide:sc= -0.508 X(o=-0.51,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 18 -11.480 3.132 -11.405 1.00 0.00 N ATOM 2 CA MET A 18 -11.904 1.935 -10.648 1.00 0.00 C ATOM 3 C MET A 18 -11.497 2.060 -9.188 1.00 0.00 C ATOM 4 O MET A 18 -10.313 1.991 -8.865 1.00 0.00 O ATOM 5 CB MET A 18 -11.291 0.673 -11.257 1.00 0.00 C ATOM 6 CG MET A 18 -11.633 -0.602 -10.499 1.00 0.00 C ATOM 7 SD MET A 18 -10.904 -2.069 -11.254 1.00 0.00 S ATOM 8 CE MET A 18 -11.426 -3.343 -10.106 1.00 0.00 C ATOM 0 HA MET A 18 -12.990 1.859 -10.705 1.00 0.00 H new ATOM 0 HB2 MET A 18 -11.633 0.575 -12.287 1.00 0.00 H new ATOM 0 HB3 MET A 18 -10.207 0.786 -11.290 1.00 0.00 H new ATOM 0 HG2 MET A 18 -11.283 -0.515 -9.470 1.00 0.00 H new ATOM 0 HG3 MET A 18 -12.716 -0.718 -10.459 1.00 0.00 H new ATOM 0 HE1 MET A 18 -11.050 -4.310 -10.440 1.00 0.00 H new ATOM 0 HE2 MET A 18 -11.031 -3.123 -9.114 1.00 0.00 H new ATOM 0 HE3 MET A 18 -12.515 -3.372 -10.065 1.00 0.00 H new ATOM 18 N ALA A 19 -12.476 2.276 -8.324 1.00 0.00 N ATOM 19 CA ALA A 19 -12.211 2.328 -6.894 1.00 0.00 C ATOM 20 C ALA A 19 -11.780 0.963 -6.372 1.00 0.00 C ATOM 21 O ALA A 19 -12.475 -0.037 -6.571 1.00 0.00 O ATOM 22 CB ALA A 19 -13.442 2.817 -6.147 1.00 0.00 C ATOM 0 H ALA A 19 -13.452 2.417 -8.584 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.395 3.030 -6.723 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.230 2.851 -5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -13.707 3.815 -6.496 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.273 2.136 -6.330 1.00 0.00 H new ATOM 28 N LEU A 20 -10.627 0.920 -5.726 1.00 0.00 N ATOM 29 CA LEU A 20 -10.123 -0.323 -5.168 1.00 0.00 C ATOM 30 C LEU A 20 -10.158 -0.252 -3.644 1.00 0.00 C ATOM 31 O LEU A 20 -10.221 0.835 -3.069 1.00 0.00 O ATOM 32 CB LEU A 20 -8.692 -0.581 -5.661 1.00 0.00 C ATOM 33 CG LEU A 20 -8.106 -1.951 -5.301 1.00 0.00 C ATOM 34 CD1 LEU A 20 -8.920 -3.066 -5.940 1.00 0.00 C ATOM 35 CD2 LEU A 20 -6.652 -2.039 -5.740 1.00 0.00 C ATOM 0 H LEU A 20 -10.024 1.729 -5.575 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.755 -1.148 -5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.675 -0.472 -6.745 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.041 0.192 -5.252 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.150 -2.069 -4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.488 -4.031 -5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.948 -3.017 -5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.907 -2.951 -7.024 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.251 -3.018 -5.477 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.589 -1.899 -6.819 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.073 -1.263 -5.239 1.00 0.00 H new ATOM 47 N LYS A 21 -10.164 -1.401 -2.988 1.00 0.00 N ATOM 48 CA LYS A 21 -10.104 -1.400 -1.546 1.00 0.00 C ATOM 49 C LYS A 21 -8.797 -2.002 -1.053 1.00 0.00 C ATOM 50 O LYS A 21 -8.580 -3.201 -1.168 1.00 0.00 O ATOM 51 CB LYS A 21 -11.288 -2.181 -0.993 1.00 0.00 C ATOM 52 CG LYS A 21 -12.624 -1.567 -1.353 1.00 0.00 C ATOM 53 CD LYS A 21 -13.768 -2.429 -0.868 1.00 0.00 C ATOM 54 CE LYS A 21 -14.158 -3.505 -1.871 1.00 0.00 C ATOM 55 NZ LYS A 21 -13.101 -4.532 -2.059 1.00 0.00 N ATOM 0 H LYS A 21 -10.209 -2.323 -3.423 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.149 -0.370 -1.193 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.250 -3.203 -1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.202 -2.240 0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.701 -0.573 -0.912 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.691 -1.443 -2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.488 -2.900 0.074 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.633 -1.797 -0.664 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.074 -3.991 -1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.378 -3.037 -2.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.521 -5.392 -2.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.371 -4.165 -2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.669 -4.758 -1.140 1.00 0.00 H new ATOM 69 N CYS A 22 -7.925 -1.166 -0.515 1.00 0.00 N ATOM 70 CA CYS A 22 -6.685 -1.658 0.066 1.00 0.00 C ATOM 71 C CYS A 22 -6.723 -1.444 1.576 1.00 0.00 C ATOM 72 O CYS A 22 -7.444 -0.566 2.060 1.00 0.00 O ATOM 73 CB CYS A 22 -5.467 -0.933 -0.531 1.00 0.00 C ATOM 74 SG CYS A 22 -5.459 -0.814 -2.355 1.00 0.00 S ATOM 0 H CYS A 22 -8.049 -0.155 -0.468 1.00 0.00 H new ATOM 0 HA CYS A 22 -6.590 -2.720 -0.160 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.422 0.074 -0.116 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.562 -1.450 -0.211 1.00 0.00 H new ATOM 79 N PHE A 23 -5.975 -2.249 2.323 1.00 0.00 N ATOM 80 CA PHE A 23 -5.896 -2.036 3.764 1.00 0.00 C ATOM 81 C PHE A 23 -5.107 -0.772 4.058 1.00 0.00 C ATOM 82 O PHE A 23 -4.045 -0.552 3.480 1.00 0.00 O ATOM 83 CB PHE A 23 -5.235 -3.222 4.471 1.00 0.00 C ATOM 84 CG PHE A 23 -6.134 -4.403 4.684 1.00 0.00 C ATOM 85 CD1 PHE A 23 -7.405 -4.237 5.208 1.00 0.00 C ATOM 86 CD2 PHE A 23 -5.698 -5.682 4.384 1.00 0.00 C ATOM 87 CE1 PHE A 23 -8.227 -5.325 5.426 1.00 0.00 C ATOM 88 CE2 PHE A 23 -6.517 -6.775 4.596 1.00 0.00 C ATOM 89 CZ PHE A 23 -7.783 -6.596 5.118 1.00 0.00 C ATOM 0 H PHE A 23 -5.429 -3.034 1.968 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.914 -1.936 4.141 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.371 -3.540 3.887 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.860 -2.888 5.439 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.758 -3.245 5.449 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.707 -5.827 3.980 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -9.216 -5.182 5.837 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -6.167 -7.768 4.354 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.425 -7.448 5.285 1.00 0.00 H new ATOM 99 N THR A 24 -5.621 0.053 4.949 1.00 0.00 N ATOM 100 CA THR A 24 -4.940 1.285 5.304 1.00 0.00 C ATOM 101 C THR A 24 -4.877 1.434 6.818 1.00 0.00 C ATOM 102 O THR A 24 -5.894 1.286 7.501 1.00 0.00 O ATOM 103 CB THR A 24 -5.659 2.510 4.700 1.00 0.00 C ATOM 104 OG1 THR A 24 -5.875 2.308 3.299 1.00 0.00 O ATOM 105 CG2 THR A 24 -4.849 3.783 4.913 1.00 0.00 C ATOM 0 H THR A 24 -6.502 -0.105 5.438 1.00 0.00 H new ATOM 0 HA THR A 24 -3.929 1.236 4.899 1.00 0.00 H new ATOM 0 HB THR A 24 -6.618 2.622 5.207 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.792 1.994 3.151 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.380 4.629 4.477 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.711 3.952 5.981 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.876 3.679 4.433 1.00 0.00 H new ATOM 113 N ARG A 25 -3.688 1.699 7.345 1.00 0.00 N ATOM 114 CA ARG A 25 -3.575 1.946 8.773 1.00 0.00 C ATOM 115 C ARG A 25 -3.907 3.401 9.071 1.00 0.00 C ATOM 116 O ARG A 25 -3.153 4.306 8.719 1.00 0.00 O ATOM 117 CB ARG A 25 -2.169 1.603 9.296 1.00 0.00 C ATOM 118 CG ARG A 25 -2.110 0.281 10.048 1.00 0.00 C ATOM 119 CD ARG A 25 -0.876 0.180 10.938 1.00 0.00 C ATOM 120 NE ARG A 25 -1.098 -0.729 12.069 1.00 0.00 N ATOM 121 CZ ARG A 25 -1.089 -0.339 13.351 1.00 0.00 C ATOM 122 NH1 ARG A 25 -0.721 0.892 13.680 1.00 0.00 N ATOM 123 NH2 ARG A 25 -1.446 -1.185 14.309 1.00 0.00 N ATOM 0 H ARG A 25 -2.814 1.747 6.822 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.285 1.298 9.287 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.476 1.566 8.456 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.829 2.403 9.954 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.006 0.172 10.659 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.109 -0.542 9.333 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.029 -0.172 10.348 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.614 1.170 11.312 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.269 -1.714 11.867 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.441 1.552 12.954 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.718 1.179 14.659 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.728 -2.136 14.071 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.438 -0.885 15.284 1.00 0.00 H new ATOM 137 N ASN A 26 -5.047 3.616 9.709 1.00 0.00 N ATOM 138 CA ASN A 26 -5.469 4.959 10.080 1.00 0.00 C ATOM 139 C ASN A 26 -6.020 4.926 11.493 1.00 0.00 C ATOM 140 O ASN A 26 -6.654 3.947 11.890 1.00 0.00 O ATOM 141 CB ASN A 26 -6.510 5.511 9.095 1.00 0.00 C ATOM 142 CG ASN A 26 -7.826 4.755 9.123 1.00 0.00 C ATOM 143 OD1 ASN A 26 -7.921 3.699 8.330 1.00 0.00 O flip ATOM 144 ND2 ASN A 26 -8.751 5.119 9.846 1.00 0.00 N flip ATOM 0 H ASN A 26 -5.697 2.878 9.981 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.610 5.628 10.040 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.697 6.560 9.325 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.100 5.474 8.086 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.639 5.938 10.443 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -9.630 4.602 9.849 1.00 0.00 H new ATOM 151 N GLY A 27 -5.760 5.976 12.257 1.00 0.00 N ATOM 152 CA GLY A 27 -6.034 5.902 13.678 1.00 0.00 C ATOM 153 C GLY A 27 -4.978 5.057 14.355 1.00 0.00 C ATOM 154 O GLY A 27 -4.117 5.575 15.066 1.00 0.00 O ATOM 0 H GLY A 27 -5.372 6.861 11.929 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.045 6.903 14.109 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.021 5.472 13.846 1.00 0.00 H new ATOM 158 N ASP A 28 -5.043 3.755 14.110 1.00 0.00 N ATOM 159 CA ASP A 28 -3.942 2.866 14.438 1.00 0.00 C ATOM 160 C ASP A 28 -3.830 1.767 13.388 1.00 0.00 C ATOM 161 O ASP A 28 -3.128 1.936 12.395 1.00 0.00 O ATOM 162 CB ASP A 28 -4.076 2.251 15.835 1.00 0.00 C ATOM 163 CG ASP A 28 -2.967 1.245 16.115 1.00 0.00 C ATOM 164 OD1 ASP A 28 -1.778 1.632 16.068 1.00 0.00 O ATOM 165 OD2 ASP A 28 -3.283 0.064 16.356 1.00 0.00 O ATOM 0 H ASP A 28 -5.847 3.293 13.685 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.033 3.467 14.442 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.049 3.041 16.585 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.045 1.760 15.925 1.00 0.00 H new ATOM 170 N ASP A 29 -4.563 0.672 13.577 1.00 0.00 N ATOM 171 CA ASP A 29 -4.389 -0.496 12.714 1.00 0.00 C ATOM 172 C ASP A 29 -5.231 -0.408 11.440 1.00 0.00 C ATOM 173 O ASP A 29 -5.958 0.561 11.210 1.00 0.00 O ATOM 174 CB ASP A 29 -4.681 -1.806 13.462 1.00 0.00 C ATOM 175 CG ASP A 29 -3.893 -2.977 12.882 1.00 0.00 C ATOM 176 OD1 ASP A 29 -4.335 -3.564 11.873 1.00 0.00 O ATOM 177 OD2 ASP A 29 -2.801 -3.288 13.405 1.00 0.00 O ATOM 0 H ASP A 29 -5.270 0.568 14.305 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.340 -0.500 12.416 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.431 -1.686 14.516 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.748 -2.024 13.410 1.00 0.00 H new ATOM 182 N ARG A 30 -5.083 -1.428 10.609 1.00 0.00 N ATOM 183 CA ARG A 30 -5.659 -1.448 9.274 1.00 0.00 C ATOM 184 C ARG A 30 -7.155 -1.722 9.290 1.00 0.00 C ATOM 185 O ARG A 30 -7.630 -2.591 10.016 1.00 0.00 O ATOM 186 CB ARG A 30 -4.987 -2.543 8.454 1.00 0.00 C ATOM 187 CG ARG A 30 -3.501 -2.342 8.254 1.00 0.00 C ATOM 188 CD ARG A 30 -2.742 -3.641 8.460 1.00 0.00 C ATOM 189 NE ARG A 30 -2.521 -3.938 9.874 1.00 0.00 N ATOM 190 CZ ARG A 30 -1.373 -4.415 10.348 1.00 0.00 C ATOM 191 NH1 ARG A 30 -0.396 -4.739 9.509 1.00 0.00 N ATOM 192 NH2 ARG A 30 -1.209 -4.581 11.655 1.00 0.00 N ATOM 0 H ARG A 30 -4.557 -2.270 10.843 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.496 -0.462 8.839 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.150 -3.502 8.946 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.470 -2.599 7.478 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.314 -1.963 7.249 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.135 -1.589 8.952 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.297 -4.460 8.002 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.781 -3.582 7.949 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.284 -3.771 10.530 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.527 -4.622 8.504 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.485 -5.105 9.869 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.964 -4.343 12.298 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.328 -4.947 12.016 1.00 0.00 H new ATOM 206 N THR A 31 -7.885 -0.977 8.483 1.00 0.00 N ATOM 207 CA THR A 31 -9.282 -1.277 8.238 1.00 0.00 C ATOM 208 C THR A 31 -9.525 -1.354 6.731 1.00 0.00 C ATOM 209 O THR A 31 -8.694 -0.889 5.940 1.00 0.00 O ATOM 210 CB THR A 31 -10.217 -0.229 8.887 1.00 0.00 C ATOM 211 OG1 THR A 31 -11.588 -0.622 8.734 1.00 0.00 O ATOM 212 CG2 THR A 31 -10.015 1.148 8.275 1.00 0.00 C ATOM 0 H THR A 31 -7.533 -0.159 7.985 1.00 0.00 H new ATOM 0 HA THR A 31 -9.513 -2.239 8.696 1.00 0.00 H new ATOM 0 HB THR A 31 -9.968 -0.177 9.947 1.00 0.00 H new ATOM 0 HG1 THR A 31 -12.169 0.049 9.150 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.687 1.861 8.753 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.983 1.465 8.425 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.230 1.107 7.207 1.00 0.00 H new ATOM 220 N VAL A 32 -10.640 -1.956 6.332 1.00 0.00 N ATOM 221 CA VAL A 32 -10.945 -2.072 4.911 1.00 0.00 C ATOM 222 C VAL A 32 -11.397 -0.726 4.369 1.00 0.00 C ATOM 223 O VAL A 32 -12.503 -0.268 4.653 1.00 0.00 O ATOM 224 CB VAL A 32 -12.044 -3.126 4.636 1.00 0.00 C ATOM 225 CG1 VAL A 32 -12.296 -3.272 3.138 1.00 0.00 C ATOM 226 CG2 VAL A 32 -11.665 -4.466 5.248 1.00 0.00 C ATOM 0 H VAL A 32 -11.335 -2.364 6.958 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.034 -2.396 4.408 1.00 0.00 H new ATOM 0 HB VAL A 32 -12.967 -2.783 5.103 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -13.072 -4.018 2.971 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.619 -2.315 2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.377 -3.587 2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -12.450 -5.194 5.044 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.727 -4.812 4.814 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.546 -4.353 6.326 1.00 0.00 H new ATOM 236 N THR A 33 -10.531 -0.084 3.608 1.00 0.00 N ATOM 237 CA THR A 33 -10.861 1.211 3.051 1.00 0.00 C ATOM 238 C THR A 33 -10.924 1.162 1.540 1.00 0.00 C ATOM 239 O THR A 33 -10.196 0.405 0.896 1.00 0.00 O ATOM 240 CB THR A 33 -9.846 2.285 3.460 1.00 0.00 C ATOM 241 OG1 THR A 33 -8.514 1.825 3.189 1.00 0.00 O ATOM 242 CG2 THR A 33 -9.982 2.637 4.933 1.00 0.00 C ATOM 0 H THR A 33 -9.604 -0.434 3.364 1.00 0.00 H new ATOM 0 HA THR A 33 -11.840 1.472 3.452 1.00 0.00 H new ATOM 0 HB THR A 33 -10.047 3.183 2.876 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.554 1.000 2.662 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.249 3.401 5.194 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.986 3.016 5.125 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.808 1.747 5.537 1.00 0.00 H new ATOM 250 N THR A 34 -11.792 1.977 0.988 1.00 0.00 N ATOM 251 CA THR A 34 -11.917 2.093 -0.444 1.00 0.00 C ATOM 252 C THR A 34 -11.287 3.404 -0.903 1.00 0.00 C ATOM 253 O THR A 34 -11.584 4.472 -0.366 1.00 0.00 O ATOM 254 CB THR A 34 -13.403 2.025 -0.857 1.00 0.00 C ATOM 255 OG1 THR A 34 -13.552 2.217 -2.270 1.00 0.00 O ATOM 256 CG2 THR A 34 -14.219 3.059 -0.095 1.00 0.00 C ATOM 0 H THR A 34 -12.428 2.575 1.516 1.00 0.00 H new ATOM 0 HA THR A 34 -11.395 1.264 -0.923 1.00 0.00 H new ATOM 0 HB THR A 34 -13.776 1.032 -0.605 1.00 0.00 H new ATOM 0 HG1 THR A 34 -14.501 2.168 -2.508 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.263 2.995 -0.400 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.141 2.867 0.975 1.00 0.00 H new ATOM 0 HG23 THR A 34 -13.838 4.056 -0.313 1.00 0.00 H new ATOM 264 N CYS A 35 -10.380 3.318 -1.857 1.00 0.00 N ATOM 265 CA CYS A 35 -9.766 4.514 -2.400 1.00 0.00 C ATOM 266 C CYS A 35 -10.561 4.995 -3.609 1.00 0.00 C ATOM 267 O CYS A 35 -11.535 4.352 -4.003 1.00 0.00 O ATOM 268 CB CYS A 35 -8.300 4.247 -2.740 1.00 0.00 C ATOM 269 SG CYS A 35 -8.004 2.717 -3.667 1.00 0.00 S ATOM 0 H CYS A 35 -10.055 2.443 -2.268 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.783 5.309 -1.655 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.917 5.087 -3.320 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.727 4.211 -1.813 1.00 0.00 H new ATOM 274 N ALA A 36 -10.165 6.124 -4.180 1.00 0.00 N ATOM 275 CA ALA A 36 -10.968 6.733 -5.231 1.00 0.00 C ATOM 276 C ALA A 36 -10.648 6.143 -6.603 1.00 0.00 C ATOM 277 O ALA A 36 -9.833 5.229 -6.722 1.00 0.00 O ATOM 278 CB ALA A 36 -10.777 8.241 -5.226 1.00 0.00 C ATOM 0 H ALA A 36 -9.311 6.628 -3.940 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.015 6.511 -5.026 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.382 8.687 -6.016 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.086 8.644 -4.261 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.726 8.475 -5.397 1.00 0.00 H new ATOM 284 N GLU A 37 -11.291 6.690 -7.632 1.00 0.00 N ATOM 285 CA GLU A 37 -11.216 6.137 -8.982 1.00 0.00 C ATOM 286 C GLU A 37 -9.800 6.139 -9.548 1.00 0.00 C ATOM 287 O GLU A 37 -9.438 5.250 -10.328 1.00 0.00 O ATOM 288 CB GLU A 37 -12.144 6.917 -9.914 1.00 0.00 C ATOM 289 CG GLU A 37 -13.585 6.443 -9.865 1.00 0.00 C ATOM 290 CD GLU A 37 -13.718 5.013 -10.339 1.00 0.00 C ATOM 291 OE1 GLU A 37 -13.487 4.763 -11.540 1.00 0.00 O ATOM 292 OE2 GLU A 37 -14.005 4.127 -9.515 1.00 0.00 O ATOM 0 H GLU A 37 -11.875 7.523 -7.555 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.532 5.096 -8.916 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.108 7.974 -9.650 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.776 6.831 -10.936 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.961 6.525 -8.845 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.203 7.092 -10.486 1.00 0.00 H new ATOM 299 N GLU A 38 -9.007 7.128 -9.163 1.00 0.00 N ATOM 300 CA GLU A 38 -7.661 7.274 -9.690 1.00 0.00 C ATOM 301 C GLU A 38 -6.702 6.279 -9.038 1.00 0.00 C ATOM 302 O GLU A 38 -5.673 5.920 -9.617 1.00 0.00 O ATOM 303 CB GLU A 38 -7.167 8.706 -9.504 1.00 0.00 C ATOM 304 CG GLU A 38 -6.744 9.013 -8.092 1.00 0.00 C ATOM 305 CD GLU A 38 -7.903 9.161 -7.124 1.00 0.00 C ATOM 306 OE1 GLU A 38 -9.058 9.283 -7.586 1.00 0.00 O ATOM 307 OE2 GLU A 38 -7.660 9.135 -5.897 1.00 0.00 O ATOM 0 H GLU A 38 -9.275 7.842 -8.486 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.690 7.055 -10.757 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.326 8.882 -10.174 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.958 9.396 -9.797 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.087 8.218 -7.739 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.161 9.934 -8.089 1.00 0.00 H new ATOM 314 N GLN A 39 -7.052 5.816 -7.846 1.00 0.00 N ATOM 315 CA GLN A 39 -6.188 4.894 -7.132 1.00 0.00 C ATOM 316 C GLN A 39 -6.585 3.457 -7.441 1.00 0.00 C ATOM 317 O GLN A 39 -7.641 2.987 -7.027 1.00 0.00 O ATOM 318 CB GLN A 39 -6.235 5.165 -5.627 1.00 0.00 C ATOM 319 CG GLN A 39 -5.913 6.605 -5.279 1.00 0.00 C ATOM 320 CD GLN A 39 -5.942 6.880 -3.792 1.00 0.00 C ATOM 321 OE1 GLN A 39 -5.615 6.024 -2.977 1.00 0.00 O ATOM 322 NE2 GLN A 39 -6.369 8.071 -3.429 1.00 0.00 N ATOM 0 H GLN A 39 -7.915 6.060 -7.361 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.162 5.046 -7.466 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.227 4.918 -5.249 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.528 4.507 -5.122 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.926 6.854 -5.669 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.627 7.261 -5.777 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.632 8.756 -4.137 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.437 8.309 -2.439 1.00 0.00 H new ATOM 331 N THR A 40 -5.739 2.776 -8.198 1.00 0.00 N ATOM 332 CA THR A 40 -6.055 1.434 -8.657 1.00 0.00 C ATOM 333 C THR A 40 -5.014 0.418 -8.195 1.00 0.00 C ATOM 334 O THR A 40 -5.054 -0.751 -8.584 1.00 0.00 O ATOM 335 CB THR A 40 -6.153 1.411 -10.189 1.00 0.00 C ATOM 336 OG1 THR A 40 -5.820 2.710 -10.708 1.00 0.00 O ATOM 337 CG2 THR A 40 -7.553 1.024 -10.642 1.00 0.00 C ATOM 0 H THR A 40 -4.833 3.129 -8.506 1.00 0.00 H new ATOM 0 HA THR A 40 -7.015 1.155 -8.222 1.00 0.00 H new ATOM 0 HB THR A 40 -5.453 0.667 -10.569 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.881 2.697 -11.686 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.594 1.016 -11.731 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.797 0.032 -10.262 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.273 1.747 -10.258 1.00 0.00 H new ATOM 345 N ARG A 41 -4.067 0.869 -7.381 1.00 0.00 N ATOM 346 CA ARG A 41 -3.105 -0.055 -6.799 1.00 0.00 C ATOM 347 C ARG A 41 -3.012 0.166 -5.310 1.00 0.00 C ATOM 348 O ARG A 41 -3.658 1.044 -4.749 1.00 0.00 O ATOM 349 CB ARG A 41 -1.697 0.067 -7.399 1.00 0.00 C ATOM 350 CG ARG A 41 -1.649 0.010 -8.907 1.00 0.00 C ATOM 351 CD ARG A 41 -1.917 -1.392 -9.428 1.00 0.00 C ATOM 352 NE ARG A 41 -0.775 -2.272 -9.181 1.00 0.00 N ATOM 353 CZ ARG A 41 -0.374 -3.233 -10.008 1.00 0.00 C ATOM 354 NH1 ARG A 41 -1.043 -3.467 -11.133 1.00 0.00 N ATOM 355 NH2 ARG A 41 0.698 -3.960 -9.708 1.00 0.00 N ATOM 0 H ARG A 41 -3.946 1.846 -7.114 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.474 -1.055 -7.027 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.256 1.008 -7.070 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.075 -0.733 -6.998 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.386 0.698 -9.320 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.671 0.345 -9.252 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.805 -1.799 -8.945 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.125 -1.353 -10.497 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.251 -2.140 -8.316 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.865 -2.909 -11.363 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.734 -4.205 -11.766 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.211 -3.780 -8.845 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.007 -4.698 -10.341 1.00 0.00 H new ATOM 369 N CYS A 42 -2.167 -0.613 -4.694 1.00 0.00 N ATOM 370 CA CYS A 42 -2.034 -0.528 -3.248 1.00 0.00 C ATOM 371 C CYS A 42 -0.576 -0.317 -2.892 1.00 0.00 C ATOM 372 O CYS A 42 0.312 -0.759 -3.622 1.00 0.00 O ATOM 373 CB CYS A 42 -2.549 -1.795 -2.544 1.00 0.00 C ATOM 374 SG CYS A 42 -4.242 -2.317 -2.992 1.00 0.00 S ATOM 0 H CYS A 42 -1.568 -1.302 -5.149 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.640 0.312 -2.907 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.865 -2.615 -2.765 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.512 -1.631 -1.467 1.00 0.00 H new ATOM 379 N LEU A 43 -0.334 0.357 -1.785 1.00 0.00 N ATOM 380 CA LEU A 43 1.017 0.604 -1.324 1.00 0.00 C ATOM 381 C LEU A 43 1.293 -0.232 -0.083 1.00 0.00 C ATOM 382 O LEU A 43 0.563 -0.148 0.907 1.00 0.00 O ATOM 383 CB LEU A 43 1.198 2.091 -1.014 1.00 0.00 C ATOM 384 CG LEU A 43 2.637 2.633 -1.003 1.00 0.00 C ATOM 385 CD1 LEU A 43 2.979 3.197 0.360 1.00 0.00 C ATOM 386 CD2 LEU A 43 3.652 1.574 -1.419 1.00 0.00 C ATOM 0 H LEU A 43 -1.061 0.746 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 43 1.723 0.323 -2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.627 2.661 -1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.754 2.290 -0.039 1.00 0.00 H new ATOM 0 HG LEU A 43 2.690 3.434 -1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.001 3.576 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.293 4.009 0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.890 2.412 1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.654 2.002 -1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.602 0.731 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.427 1.231 -2.429 1.00 0.00 H new ATOM 398 N PHE A 44 2.320 -1.057 -0.164 1.00 0.00 N ATOM 399 CA PHE A 44 2.762 -1.835 0.975 1.00 0.00 C ATOM 400 C PHE A 44 4.268 -1.712 1.136 1.00 0.00 C ATOM 401 O PHE A 44 5.015 -2.098 0.250 1.00 0.00 O ATOM 402 CB PHE A 44 2.392 -3.306 0.799 1.00 0.00 C ATOM 403 CG PHE A 44 2.901 -4.162 1.911 1.00 0.00 C ATOM 404 CD1 PHE A 44 2.478 -3.965 3.216 1.00 0.00 C ATOM 405 CD2 PHE A 44 3.833 -5.141 1.657 1.00 0.00 C ATOM 406 CE1 PHE A 44 2.980 -4.741 4.241 1.00 0.00 C ATOM 407 CE2 PHE A 44 4.338 -5.910 2.675 1.00 0.00 C ATOM 408 CZ PHE A 44 3.916 -5.715 3.966 1.00 0.00 C ATOM 0 H PHE A 44 2.866 -1.205 -1.013 1.00 0.00 H new ATOM 0 HA PHE A 44 2.266 -1.449 1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.308 -3.400 0.740 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.795 -3.668 -0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.749 -3.198 3.433 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.171 -5.306 0.645 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.641 -4.586 5.255 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.071 -6.673 2.459 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.316 -6.323 4.764 1.00 0.00 H new ATOM 418 N VAL A 45 4.711 -1.170 2.253 1.00 0.00 N ATOM 419 CA VAL A 45 6.141 -1.059 2.508 1.00 0.00 C ATOM 420 C VAL A 45 6.513 -1.898 3.727 1.00 0.00 C ATOM 421 O VAL A 45 5.856 -1.798 4.763 1.00 0.00 O ATOM 422 CB VAL A 45 6.562 0.412 2.743 1.00 0.00 C ATOM 423 CG1 VAL A 45 8.072 0.527 2.902 1.00 0.00 C ATOM 424 CG2 VAL A 45 6.071 1.306 1.608 1.00 0.00 C ATOM 0 H VAL A 45 4.113 -0.802 2.993 1.00 0.00 H new ATOM 0 HA VAL A 45 6.669 -1.427 1.628 1.00 0.00 H new ATOM 0 HB VAL A 45 6.096 0.750 3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.342 1.570 3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.395 -0.070 3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.562 0.163 1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.379 2.335 1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.499 0.965 0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.984 1.258 1.551 1.00 0.00 H new ATOM 434 N GLN A 46 7.543 -2.738 3.600 1.00 0.00 N ATOM 435 CA GLN A 46 7.967 -3.542 4.743 1.00 0.00 C ATOM 436 C GLN A 46 8.729 -2.676 5.731 1.00 0.00 C ATOM 437 O GLN A 46 9.527 -1.827 5.337 1.00 0.00 O ATOM 438 CB GLN A 46 8.907 -4.694 4.370 1.00 0.00 C ATOM 439 CG GLN A 46 8.769 -5.284 2.982 1.00 0.00 C ATOM 440 CD GLN A 46 7.518 -6.097 2.755 1.00 0.00 C ATOM 441 OE1 GLN A 46 7.004 -6.145 1.638 1.00 0.00 O ATOM 442 NE2 GLN A 46 7.045 -6.776 3.790 1.00 0.00 N ATOM 0 H GLN A 46 8.082 -2.876 2.745 1.00 0.00 H new ATOM 0 HA GLN A 46 7.048 -3.953 5.161 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.932 -4.343 4.487 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.760 -5.496 5.093 1.00 0.00 H new ATOM 0 HG2 GLN A 46 8.794 -4.472 2.255 1.00 0.00 H new ATOM 0 HG3 GLN A 46 9.635 -5.915 2.784 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.504 -6.706 4.698 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.222 -7.369 3.678 1.00 0.00 H new ATOM 451 N LEU A 47 8.498 -2.922 7.005 1.00 0.00 N ATOM 452 CA LEU A 47 9.273 -2.276 8.059 1.00 0.00 C ATOM 453 C LEU A 47 9.587 -3.294 9.142 1.00 0.00 C ATOM 454 O LEU A 47 8.873 -4.285 9.284 1.00 0.00 O ATOM 455 CB LEU A 47 8.524 -1.099 8.709 1.00 0.00 C ATOM 456 CG LEU A 47 8.438 0.211 7.916 1.00 0.00 C ATOM 457 CD1 LEU A 47 9.772 0.562 7.273 1.00 0.00 C ATOM 458 CD2 LEU A 47 7.321 0.151 6.891 1.00 0.00 C ATOM 0 H LEU A 47 7.780 -3.564 7.341 1.00 0.00 H new ATOM 0 HA LEU A 47 10.180 -1.887 7.597 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.508 -1.427 8.928 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.002 -0.883 9.665 1.00 0.00 H new ATOM 0 HG LEU A 47 8.201 1.011 8.617 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.674 1.496 6.719 1.00 0.00 H new ATOM 0 HD12 LEU A 47 10.530 0.677 8.048 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.068 -0.235 6.591 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.280 1.092 6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.509 -0.667 6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.370 -0.014 7.398 1.00 0.00 H new ATOM 470 N PRO A 48 10.656 -3.073 9.916 1.00 0.00 N ATOM 471 CA PRO A 48 10.949 -3.878 11.094 1.00 0.00 C ATOM 472 C PRO A 48 10.213 -3.351 12.326 1.00 0.00 C ATOM 473 O PRO A 48 10.487 -3.757 13.452 1.00 0.00 O ATOM 474 CB PRO A 48 12.457 -3.719 11.251 1.00 0.00 C ATOM 475 CG PRO A 48 12.761 -2.365 10.701 1.00 0.00 C ATOM 476 CD PRO A 48 11.685 -2.040 9.691 1.00 0.00 C ATOM 0 HA PRO A 48 10.631 -4.916 10.990 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.756 -3.797 12.296 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.995 -4.496 10.707 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.778 -1.621 11.498 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.745 -2.352 10.232 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.284 -1.038 9.844 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.071 -2.077 8.672 1.00 0.00 H new ATOM 484 N TYR A 49 9.278 -2.435 12.091 1.00 0.00 N ATOM 485 CA TYR A 49 8.511 -1.842 13.178 1.00 0.00 C ATOM 486 C TYR A 49 7.019 -1.946 12.877 1.00 0.00 C ATOM 487 O TYR A 49 6.279 -2.627 13.579 1.00 0.00 O ATOM 488 CB TYR A 49 8.897 -0.371 13.376 1.00 0.00 C ATOM 489 CG TYR A 49 10.385 -0.135 13.527 1.00 0.00 C ATOM 490 CD1 TYR A 49 11.060 -0.529 14.676 1.00 0.00 C ATOM 491 CD2 TYR A 49 11.114 0.479 12.516 1.00 0.00 C ATOM 492 CE1 TYR A 49 12.419 -0.316 14.813 1.00 0.00 C ATOM 493 CE2 TYR A 49 12.472 0.694 12.645 1.00 0.00 C ATOM 494 CZ TYR A 49 13.120 0.295 13.795 1.00 0.00 C ATOM 495 OH TYR A 49 14.472 0.507 13.926 1.00 0.00 O ATOM 0 H TYR A 49 9.035 -2.090 11.162 1.00 0.00 H new ATOM 0 HA TYR A 49 8.736 -2.387 14.095 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.533 0.206 12.526 1.00 0.00 H new ATOM 0 HB3 TYR A 49 8.388 0.011 14.261 1.00 0.00 H new ATOM 0 HD1 TYR A 49 10.514 -1.009 15.475 1.00 0.00 H new ATOM 0 HD2 TYR A 49 10.610 0.793 11.614 1.00 0.00 H new ATOM 0 HE1 TYR A 49 12.929 -0.627 15.713 1.00 0.00 H new ATOM 0 HE2 TYR A 49 13.024 1.172 11.849 1.00 0.00 H new ATOM 0 HH TYR A 49 14.814 0.947 13.120 1.00 0.00 H new ATOM 505 N SER A 50 6.593 -1.263 11.820 1.00 0.00 N ATOM 506 CA SER A 50 5.210 -1.318 11.374 1.00 0.00 C ATOM 507 C SER A 50 5.155 -1.041 9.892 1.00 0.00 C ATOM 508 O SER A 50 5.749 -0.079 9.415 1.00 0.00 O ATOM 509 CB SER A 50 4.353 -0.301 12.117 1.00 0.00 C ATOM 510 OG SER A 50 2.971 -0.475 11.834 1.00 0.00 O ATOM 0 H SER A 50 7.192 -0.662 11.254 1.00 0.00 H new ATOM 0 HA SER A 50 4.816 -2.312 11.584 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.520 -0.398 13.190 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.658 0.707 11.837 1.00 0.00 H new ATOM 0 HG SER A 50 2.450 0.192 12.328 1.00 0.00 H new ATOM 516 N GLU A 51 4.432 -1.874 9.186 1.00 0.00 N ATOM 517 CA GLU A 51 4.394 -1.812 7.739 1.00 0.00 C ATOM 518 C GLU A 51 3.508 -0.668 7.253 1.00 0.00 C ATOM 519 O GLU A 51 2.530 -0.296 7.904 1.00 0.00 O ATOM 520 CB GLU A 51 3.892 -3.144 7.168 1.00 0.00 C ATOM 521 CG GLU A 51 2.489 -3.532 7.624 1.00 0.00 C ATOM 522 CD GLU A 51 2.440 -4.125 9.023 1.00 0.00 C ATOM 523 OE1 GLU A 51 2.477 -3.354 10.008 1.00 0.00 O ATOM 524 OE2 GLU A 51 2.323 -5.364 9.140 1.00 0.00 O ATOM 0 H GLU A 51 3.855 -2.611 9.591 1.00 0.00 H new ATOM 0 HA GLU A 51 5.408 -1.626 7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.905 -3.088 6.080 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.586 -3.934 7.455 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.850 -2.650 7.591 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.074 -4.253 6.919 1.00 0.00 H new ATOM 531 N ILE A 52 3.870 -0.109 6.106 1.00 0.00 N ATOM 532 CA ILE A 52 3.078 0.955 5.509 1.00 0.00 C ATOM 533 C ILE A 52 2.008 0.368 4.607 1.00 0.00 C ATOM 534 O ILE A 52 2.300 -0.493 3.773 1.00 0.00 O ATOM 535 CB ILE A 52 3.938 1.927 4.687 1.00 0.00 C ATOM 536 CG1 ILE A 52 4.978 2.593 5.578 1.00 0.00 C ATOM 537 CG2 ILE A 52 3.065 2.977 4.011 1.00 0.00 C ATOM 538 CD1 ILE A 52 4.404 3.280 6.798 1.00 0.00 C ATOM 0 H ILE A 52 4.700 -0.373 5.575 1.00 0.00 H new ATOM 0 HA ILE A 52 2.622 1.509 6.330 1.00 0.00 H new ATOM 0 HB ILE A 52 4.454 1.361 3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.696 1.840 5.903 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.529 3.326 4.988 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.693 3.656 3.434 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.355 2.486 3.346 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.522 3.541 4.769 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.212 3.728 7.377 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.708 4.058 6.484 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.878 2.550 7.413 1.00 0.00 H new ATOM 550 N GLN A 53 0.780 0.836 4.771 1.00 0.00 N ATOM 551 CA GLN A 53 -0.316 0.318 3.970 1.00 0.00 C ATOM 552 C GLN A 53 -1.305 1.432 3.650 1.00 0.00 C ATOM 553 O GLN A 53 -1.757 2.144 4.549 1.00 0.00 O ATOM 554 CB GLN A 53 -1.046 -0.810 4.708 1.00 0.00 C ATOM 555 CG GLN A 53 -0.156 -1.978 5.108 1.00 0.00 C ATOM 556 CD GLN A 53 -0.946 -3.161 5.624 1.00 0.00 C ATOM 557 OE1 GLN A 53 -0.490 -3.904 6.490 1.00 0.00 O ATOM 558 NE2 GLN A 53 -2.141 -3.352 5.086 1.00 0.00 N ATOM 0 H GLN A 53 0.521 1.561 5.440 1.00 0.00 H new ATOM 0 HA GLN A 53 0.101 -0.078 3.044 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.511 -0.400 5.604 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.850 -1.182 4.073 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.437 -2.289 4.248 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.544 -1.650 5.876 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.486 -2.713 4.369 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.717 -4.138 5.389 1.00 0.00 H new ATOM 567 N GLU A 54 -1.654 1.545 2.372 1.00 0.00 N ATOM 568 CA GLU A 54 -2.574 2.577 1.900 1.00 0.00 C ATOM 569 C GLU A 54 -2.848 2.371 0.411 1.00 0.00 C ATOM 570 O GLU A 54 -2.200 1.535 -0.222 1.00 0.00 O ATOM 571 CB GLU A 54 -1.987 3.975 2.159 1.00 0.00 C ATOM 572 CG GLU A 54 -0.545 4.140 1.704 1.00 0.00 C ATOM 573 CD GLU A 54 0.068 5.451 2.167 1.00 0.00 C ATOM 574 OE1 GLU A 54 -0.523 6.520 1.889 1.00 0.00 O ATOM 575 OE2 GLU A 54 1.156 5.420 2.768 1.00 0.00 O ATOM 0 H GLU A 54 -1.310 0.928 1.637 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.514 2.501 2.446 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.604 4.716 1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.046 4.190 3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.050 3.310 2.086 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.503 4.088 0.616 1.00 0.00 H new ATOM 582 N CYS A 55 -3.809 3.102 -0.149 1.00 0.00 N ATOM 583 CA CYS A 55 -4.065 2.984 -1.584 1.00 0.00 C ATOM 584 C CYS A 55 -3.255 4.026 -2.336 1.00 0.00 C ATOM 585 O CYS A 55 -2.979 5.104 -1.807 1.00 0.00 O ATOM 586 CB CYS A 55 -5.549 3.170 -1.932 1.00 0.00 C ATOM 587 SG CYS A 55 -5.989 2.528 -3.584 1.00 0.00 S ATOM 0 H CYS A 55 -4.407 3.762 0.349 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.772 1.976 -1.879 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -6.157 2.667 -1.180 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -5.796 4.231 -1.884 1.00 0.00 H new ATOM 592 N LYS A 56 -2.860 3.696 -3.557 1.00 0.00 N ATOM 593 CA LYS A 56 -2.145 4.643 -4.401 1.00 0.00 C ATOM 594 C LYS A 56 -2.608 4.481 -5.837 1.00 0.00 C ATOM 595 O LYS A 56 -3.205 3.464 -6.192 1.00 0.00 O ATOM 596 CB LYS A 56 -0.626 4.412 -4.332 1.00 0.00 C ATOM 597 CG LYS A 56 -0.032 4.579 -2.950 1.00 0.00 C ATOM 598 CD LYS A 56 -0.070 6.025 -2.490 1.00 0.00 C ATOM 599 CE LYS A 56 0.007 6.099 -0.980 1.00 0.00 C ATOM 600 NZ LYS A 56 -0.001 7.492 -0.467 1.00 0.00 N ATOM 0 H LYS A 56 -3.021 2.784 -3.984 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.358 5.651 -4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.407 3.406 -4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.134 5.107 -5.013 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.580 3.958 -2.242 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.999 4.226 -2.953 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.761 6.576 -2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.987 6.500 -2.838 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.835 5.555 -0.552 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.915 5.599 -0.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.032 7.479 0.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.860 7.983 -0.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.837 7.992 -0.832 1.00 0.00 H new ATOM 614 N THR A 57 -2.342 5.474 -6.665 1.00 0.00 N ATOM 615 CA THR A 57 -2.611 5.321 -8.079 1.00 0.00 C ATOM 616 C THR A 57 -1.577 4.368 -8.657 1.00 0.00 C ATOM 617 O THR A 57 -0.535 4.158 -8.044 1.00 0.00 O ATOM 618 CB THR A 57 -2.559 6.673 -8.819 1.00 0.00 C ATOM 619 OG1 THR A 57 -1.209 7.149 -8.892 1.00 0.00 O ATOM 620 CG2 THR A 57 -3.413 7.710 -8.108 1.00 0.00 C ATOM 0 H THR A 57 -1.949 6.374 -6.390 1.00 0.00 H new ATOM 0 HA THR A 57 -3.617 4.923 -8.210 1.00 0.00 H new ATOM 0 HB THR A 57 -2.948 6.518 -9.826 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.190 8.007 -9.365 1.00 0.00 H new ATOM 0 HG21 THR A 57 -3.361 8.656 -8.647 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.447 7.368 -8.074 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.044 7.851 -7.092 1.00 0.00 H new ATOM 628 N VAL A 58 -1.853 3.778 -9.810 1.00 0.00 N ATOM 629 CA VAL A 58 -0.898 2.844 -10.400 1.00 0.00 C ATOM 630 C VAL A 58 0.438 3.558 -10.644 1.00 0.00 C ATOM 631 O VAL A 58 1.513 2.997 -10.431 1.00 0.00 O ATOM 632 CB VAL A 58 -1.395 2.281 -11.752 1.00 0.00 C ATOM 633 CG1 VAL A 58 -0.471 1.178 -12.248 1.00 0.00 C ATOM 634 CG2 VAL A 58 -2.828 1.779 -11.657 1.00 0.00 C ATOM 0 H VAL A 58 -2.708 3.922 -10.347 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.781 2.018 -9.698 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.379 3.097 -12.474 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.839 0.796 -13.200 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.534 1.578 -12.381 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.446 0.369 -11.518 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.143 1.391 -12.626 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.887 0.986 -10.912 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.483 2.600 -11.365 1.00 0.00 H new ATOM 644 N GLN A 59 0.346 4.809 -11.086 1.00 0.00 N ATOM 645 CA GLN A 59 1.528 5.633 -11.320 1.00 0.00 C ATOM 646 C GLN A 59 2.291 5.856 -10.027 1.00 0.00 C ATOM 647 O GLN A 59 3.467 5.511 -9.917 1.00 0.00 O ATOM 648 CB GLN A 59 1.117 6.993 -11.891 1.00 0.00 C ATOM 649 CG GLN A 59 2.231 8.032 -11.861 1.00 0.00 C ATOM 650 CD GLN A 59 3.347 7.727 -12.844 1.00 0.00 C ATOM 651 OE1 GLN A 59 3.124 7.099 -13.879 1.00 0.00 O ATOM 652 NE2 GLN A 59 4.547 8.189 -12.540 1.00 0.00 N ATOM 0 H GLN A 59 -0.538 5.276 -11.290 1.00 0.00 H new ATOM 0 HA GLN A 59 2.168 5.110 -12.031 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.785 6.859 -12.920 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.264 7.371 -11.327 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.813 9.013 -12.086 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.645 8.085 -10.854 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.690 8.705 -11.672 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.330 8.030 -13.174 1.00 0.00 H new ATOM 661 N GLN A 60 1.594 6.391 -9.039 1.00 0.00 N ATOM 662 CA GLN A 60 2.229 6.794 -7.802 1.00 0.00 C ATOM 663 C GLN A 60 2.682 5.583 -7.016 1.00 0.00 C ATOM 664 O GLN A 60 3.665 5.648 -6.325 1.00 0.00 O ATOM 665 CB GLN A 60 1.282 7.657 -6.966 1.00 0.00 C ATOM 666 CG GLN A 60 1.927 8.229 -5.714 1.00 0.00 C ATOM 667 CD GLN A 60 1.039 9.227 -5.003 1.00 0.00 C ATOM 668 OE1 GLN A 60 0.250 8.868 -4.127 1.00 0.00 O ATOM 669 NE2 GLN A 60 1.162 10.489 -5.378 1.00 0.00 N ATOM 0 H GLN A 60 0.588 6.555 -9.072 1.00 0.00 H new ATOM 0 HA GLN A 60 3.108 7.390 -8.047 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.912 8.477 -7.581 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.417 7.059 -6.679 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.171 7.415 -5.031 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.867 8.712 -5.983 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.828 10.742 -6.108 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.591 11.210 -4.937 1.00 0.00 H new ATOM 678 N CYS A 61 1.976 4.472 -7.138 1.00 0.00 N ATOM 679 CA CYS A 61 2.360 3.255 -6.427 1.00 0.00 C ATOM 680 C CYS A 61 3.707 2.752 -6.944 1.00 0.00 C ATOM 681 O CYS A 61 4.485 2.170 -6.193 1.00 0.00 O ATOM 682 CB CYS A 61 1.286 2.170 -6.604 1.00 0.00 C ATOM 683 SG CYS A 61 1.444 1.218 -8.147 1.00 0.00 S ATOM 0 H CYS A 61 1.140 4.383 -7.716 1.00 0.00 H new ATOM 0 HA CYS A 61 2.450 3.483 -5.365 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.335 1.483 -5.759 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.302 2.639 -6.577 1.00 0.00 H new ATOM 688 N ALA A 62 3.970 2.958 -8.232 1.00 0.00 N ATOM 689 CA ALA A 62 5.277 2.642 -8.784 1.00 0.00 C ATOM 690 C ALA A 62 6.311 3.631 -8.257 1.00 0.00 C ATOM 691 O ALA A 62 7.386 3.239 -7.800 1.00 0.00 O ATOM 692 CB ALA A 62 5.233 2.667 -10.304 1.00 0.00 C ATOM 0 H ALA A 62 3.302 3.338 -8.903 1.00 0.00 H new ATOM 0 HA ALA A 62 5.562 1.637 -8.472 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.220 2.428 -10.701 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.511 1.931 -10.659 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.936 3.659 -10.643 1.00 0.00 H new ATOM 698 N GLU A 63 5.943 4.909 -8.289 1.00 0.00 N ATOM 699 CA GLU A 63 6.790 5.990 -7.799 1.00 0.00 C ATOM 700 C GLU A 63 7.217 5.748 -6.352 1.00 0.00 C ATOM 701 O GLU A 63 8.403 5.758 -6.029 1.00 0.00 O ATOM 702 CB GLU A 63 6.012 7.306 -7.899 1.00 0.00 C ATOM 703 CG GLU A 63 5.632 7.680 -9.319 1.00 0.00 C ATOM 704 CD GLU A 63 4.825 8.960 -9.391 1.00 0.00 C ATOM 705 OE1 GLU A 63 3.951 9.167 -8.524 1.00 0.00 O ATOM 706 OE2 GLU A 63 5.042 9.745 -10.339 1.00 0.00 O ATOM 0 H GLU A 63 5.045 5.224 -8.657 1.00 0.00 H new ATOM 0 HA GLU A 63 7.693 6.035 -8.408 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.106 7.230 -7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.613 8.107 -7.470 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.537 7.792 -9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.057 6.867 -9.763 1.00 0.00 H new ATOM 713 N VAL A 64 6.233 5.495 -5.505 1.00 0.00 N ATOM 714 CA VAL A 64 6.433 5.287 -4.106 1.00 0.00 C ATOM 715 C VAL A 64 7.164 3.970 -3.834 1.00 0.00 C ATOM 716 O VAL A 64 7.912 3.835 -2.859 1.00 0.00 O ATOM 717 CB VAL A 64 5.059 5.304 -3.432 1.00 0.00 C ATOM 718 CG1 VAL A 64 4.339 6.622 -3.686 1.00 0.00 C ATOM 719 CG2 VAL A 64 4.238 4.141 -3.897 1.00 0.00 C ATOM 0 H VAL A 64 5.256 5.430 -5.791 1.00 0.00 H new ATOM 0 HA VAL A 64 7.063 6.078 -3.700 1.00 0.00 H new ATOM 0 HB VAL A 64 5.203 5.213 -2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.366 6.605 -3.195 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.933 7.444 -3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.202 6.761 -4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.263 4.166 -3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.105 4.198 -4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.747 3.211 -3.643 1.00 0.00 H new ATOM 729 N LEU A 65 6.950 2.999 -4.706 1.00 0.00 N ATOM 730 CA LEU A 65 7.667 1.745 -4.617 1.00 0.00 C ATOM 731 C LEU A 65 9.155 1.998 -4.802 1.00 0.00 C ATOM 732 O LEU A 65 9.971 1.571 -3.987 1.00 0.00 O ATOM 733 CB LEU A 65 7.125 0.758 -5.663 1.00 0.00 C ATOM 734 CG LEU A 65 7.993 -0.465 -5.994 1.00 0.00 C ATOM 735 CD1 LEU A 65 8.470 -1.169 -4.739 1.00 0.00 C ATOM 736 CD2 LEU A 65 7.207 -1.436 -6.859 1.00 0.00 C ATOM 0 H LEU A 65 6.288 3.057 -5.480 1.00 0.00 H new ATOM 0 HA LEU A 65 7.518 1.300 -3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.155 0.400 -5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.951 1.308 -6.588 1.00 0.00 H new ATOM 0 HG LEU A 65 8.871 -0.114 -6.536 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.081 -2.029 -5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.063 -0.480 -4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.609 -1.505 -4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.828 -2.302 -7.091 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.316 -1.762 -6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.913 -0.942 -7.785 1.00 0.00 H new ATOM 748 N GLU A 66 9.499 2.729 -5.844 1.00 0.00 N ATOM 749 CA GLU A 66 10.893 2.969 -6.156 1.00 0.00 C ATOM 750 C GLU A 66 11.537 3.966 -5.205 1.00 0.00 C ATOM 751 O GLU A 66 12.729 3.859 -4.913 1.00 0.00 O ATOM 752 CB GLU A 66 11.049 3.426 -7.605 1.00 0.00 C ATOM 753 CG GLU A 66 10.522 2.417 -8.613 1.00 0.00 C ATOM 754 CD GLU A 66 10.677 2.887 -10.044 1.00 0.00 C ATOM 755 OE1 GLU A 66 11.746 2.636 -10.638 1.00 0.00 O ATOM 756 OE2 GLU A 66 9.728 3.503 -10.574 1.00 0.00 O ATOM 0 H GLU A 66 8.836 3.165 -6.485 1.00 0.00 H new ATOM 0 HA GLU A 66 11.417 2.022 -6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.524 4.372 -7.739 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.103 3.615 -7.808 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.050 1.472 -8.486 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.469 2.223 -8.410 1.00 0.00 H new ATOM 763 N GLU A 67 10.758 4.913 -4.708 1.00 0.00 N ATOM 764 CA GLU A 67 11.303 5.940 -3.847 1.00 0.00 C ATOM 765 C GLU A 67 11.850 5.321 -2.560 1.00 0.00 C ATOM 766 O GLU A 67 12.963 5.633 -2.140 1.00 0.00 O ATOM 767 CB GLU A 67 10.236 6.979 -3.545 1.00 0.00 C ATOM 768 CG GLU A 67 9.138 6.404 -2.736 1.00 0.00 C ATOM 769 CD GLU A 67 8.104 7.429 -2.311 1.00 0.00 C ATOM 770 OE1 GLU A 67 7.413 7.979 -3.191 1.00 0.00 O ATOM 771 OE2 GLU A 67 7.985 7.679 -1.095 1.00 0.00 O ATOM 0 H GLU A 67 9.756 4.989 -4.886 1.00 0.00 H new ATOM 0 HA GLU A 67 12.130 6.434 -4.357 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.683 7.818 -3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.835 7.373 -4.479 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.646 5.619 -3.310 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.559 5.933 -1.848 1.00 0.00 H new ATOM 778 N VAL A 68 11.079 4.415 -1.953 1.00 0.00 N ATOM 779 CA VAL A 68 11.531 3.768 -0.727 1.00 0.00 C ATOM 780 C VAL A 68 12.523 2.647 -1.024 1.00 0.00 C ATOM 781 O VAL A 68 13.431 2.393 -0.233 1.00 0.00 O ATOM 782 CB VAL A 68 10.360 3.212 0.113 1.00 0.00 C ATOM 783 CG1 VAL A 68 9.485 4.340 0.638 1.00 0.00 C ATOM 784 CG2 VAL A 68 9.534 2.226 -0.693 1.00 0.00 C ATOM 0 H VAL A 68 10.160 4.120 -2.284 1.00 0.00 H new ATOM 0 HA VAL A 68 12.028 4.542 -0.142 1.00 0.00 H new ATOM 0 HB VAL A 68 10.783 2.683 0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.668 3.923 1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.082 5.002 1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.077 4.905 -0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.716 1.849 -0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.127 2.725 -1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.165 1.394 -1.007 1.00 0.00 H new ATOM 794 N THR A 69 12.361 1.988 -2.171 1.00 0.00 N ATOM 795 CA THR A 69 13.259 0.901 -2.542 1.00 0.00 C ATOM 796 C THR A 69 14.670 1.435 -2.795 1.00 0.00 C ATOM 797 O THR A 69 15.660 0.759 -2.522 1.00 0.00 O ATOM 798 CB THR A 69 12.741 0.130 -3.776 1.00 0.00 C ATOM 799 OG1 THR A 69 11.480 -0.476 -3.466 1.00 0.00 O ATOM 800 CG2 THR A 69 13.722 -0.948 -4.217 1.00 0.00 C ATOM 0 H THR A 69 11.626 2.186 -2.850 1.00 0.00 H new ATOM 0 HA THR A 69 13.293 0.201 -1.707 1.00 0.00 H new ATOM 0 HB THR A 69 12.629 0.842 -4.594 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.827 0.221 -3.248 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.323 -1.469 -5.087 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.676 -0.488 -4.475 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.870 -1.660 -3.405 1.00 0.00 H new ATOM 808 N ALA A 70 14.751 2.672 -3.277 1.00 0.00 N ATOM 809 CA ALA A 70 16.040 3.322 -3.489 1.00 0.00 C ATOM 810 C ALA A 70 16.734 3.584 -2.158 1.00 0.00 C ATOM 811 O ALA A 70 17.957 3.701 -2.094 1.00 0.00 O ATOM 812 CB ALA A 70 15.857 4.623 -4.255 1.00 0.00 C ATOM 0 H ALA A 70 13.943 3.242 -3.527 1.00 0.00 H new ATOM 0 HA ALA A 70 16.668 2.655 -4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 70 16.827 5.096 -4.405 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.401 4.414 -5.223 1.00 0.00 H new ATOM 0 HB3 ALA A 70 15.211 5.292 -3.686 1.00 0.00 H new ATOM 818 N ILE A 71 15.942 3.669 -1.097 1.00 0.00 N ATOM 819 CA ILE A 71 16.476 3.887 0.238 1.00 0.00 C ATOM 820 C ILE A 71 16.853 2.551 0.873 1.00 0.00 C ATOM 821 O ILE A 71 17.656 2.490 1.805 1.00 0.00 O ATOM 822 CB ILE A 71 15.450 4.605 1.142 1.00 0.00 C ATOM 823 CG1 ILE A 71 14.793 5.766 0.391 1.00 0.00 C ATOM 824 CG2 ILE A 71 16.127 5.110 2.410 1.00 0.00 C ATOM 825 CD1 ILE A 71 13.711 6.473 1.182 1.00 0.00 C ATOM 0 H ILE A 71 14.926 3.590 -1.137 1.00 0.00 H new ATOM 0 HA ILE A 71 17.360 4.518 0.144 1.00 0.00 H new ATOM 0 HB ILE A 71 14.674 3.892 1.420 1.00 0.00 H new ATOM 0 HG12 ILE A 71 15.561 6.489 0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 71 14.364 5.389 -0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 71 15.393 5.614 3.038 1.00 0.00 H new ATOM 0 HG22 ILE A 71 16.554 4.268 2.955 1.00 0.00 H new ATOM 0 HG23 ILE A 71 16.920 5.810 2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 71 13.293 7.283 0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 71 12.922 5.764 1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 71 14.138 6.881 2.098 1.00 0.00 H new ATOM 837 N GLY A 72 16.271 1.480 0.350 1.00 0.00 N ATOM 838 CA GLY A 72 16.544 0.166 0.895 1.00 0.00 C ATOM 839 C GLY A 72 15.318 -0.464 1.521 1.00 0.00 C ATOM 840 O GLY A 72 15.358 -1.612 1.960 1.00 0.00 O ATOM 0 H GLY A 72 15.620 1.497 -0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.918 -0.483 0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 72 17.333 0.243 1.644 1.00 0.00 H new ATOM 844 N TYR A 73 14.223 0.285 1.562 1.00 0.00 N ATOM 845 CA TYR A 73 12.994 -0.204 2.151 1.00 0.00 C ATOM 846 C TYR A 73 12.110 -0.863 1.098 1.00 0.00 C ATOM 847 O TYR A 73 11.647 -0.206 0.168 1.00 0.00 O ATOM 848 CB TYR A 73 12.245 0.945 2.818 1.00 0.00 C ATOM 849 CG TYR A 73 12.977 1.542 3.999 1.00 0.00 C ATOM 850 CD1 TYR A 73 13.141 0.820 5.176 1.00 0.00 C ATOM 851 CD2 TYR A 73 13.508 2.823 3.936 1.00 0.00 C ATOM 852 CE1 TYR A 73 13.813 1.361 6.256 1.00 0.00 C ATOM 853 CE2 TYR A 73 14.182 3.370 5.012 1.00 0.00 C ATOM 854 CZ TYR A 73 14.331 2.636 6.169 1.00 0.00 C ATOM 855 OH TYR A 73 15.003 3.177 7.241 1.00 0.00 O ATOM 0 H TYR A 73 14.166 1.234 1.192 1.00 0.00 H new ATOM 0 HA TYR A 73 13.247 -0.953 2.901 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.065 1.727 2.080 1.00 0.00 H new ATOM 0 HB3 TYR A 73 11.270 0.588 3.149 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.737 -0.179 5.247 1.00 0.00 H new ATOM 0 HD2 TYR A 73 13.393 3.402 3.032 1.00 0.00 H new ATOM 0 HE1 TYR A 73 13.932 0.788 7.164 1.00 0.00 H new ATOM 0 HE2 TYR A 73 14.590 4.368 4.946 1.00 0.00 H new ATOM 0 HH TYR A 73 15.305 4.082 7.015 1.00 0.00 H new ATOM 865 N PRO A 74 11.889 -2.178 1.225 1.00 0.00 N ATOM 866 CA PRO A 74 11.031 -2.941 0.309 1.00 0.00 C ATOM 867 C PRO A 74 9.599 -2.427 0.265 1.00 0.00 C ATOM 868 O PRO A 74 8.955 -2.265 1.303 1.00 0.00 O ATOM 869 CB PRO A 74 11.044 -4.345 0.909 1.00 0.00 C ATOM 870 CG PRO A 74 12.310 -4.412 1.672 1.00 0.00 C ATOM 871 CD PRO A 74 12.480 -3.045 2.257 1.00 0.00 C ATOM 0 HA PRO A 74 11.393 -2.876 -0.717 1.00 0.00 H new ATOM 0 HB2 PRO A 74 10.182 -4.508 1.556 1.00 0.00 H new ATOM 0 HB3 PRO A 74 11.008 -5.109 0.132 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.262 -5.172 2.452 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.148 -4.672 1.025 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.965 -2.946 3.213 1.00 0.00 H new ATOM 0 HD3 PRO A 74 13.529 -2.807 2.434 1.00 0.00 H new ATOM 879 N ALA A 75 9.103 -2.184 -0.936 1.00 0.00 N ATOM 880 CA ALA A 75 7.708 -1.819 -1.114 1.00 0.00 C ATOM 881 C ALA A 75 7.042 -2.740 -2.129 1.00 0.00 C ATOM 882 O ALA A 75 7.718 -3.478 -2.846 1.00 0.00 O ATOM 883 CB ALA A 75 7.573 -0.365 -1.533 1.00 0.00 C ATOM 0 H ALA A 75 9.643 -2.233 -1.800 1.00 0.00 H new ATOM 0 HA ALA A 75 7.201 -1.938 -0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.519 -0.119 -1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.006 0.277 -0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.097 -0.208 -2.476 1.00 0.00 H new ATOM 889 N LYS A 76 5.720 -2.711 -2.165 1.00 0.00 N ATOM 890 CA LYS A 76 4.964 -3.572 -3.061 1.00 0.00 C ATOM 891 C LYS A 76 3.710 -2.853 -3.545 1.00 0.00 C ATOM 892 O LYS A 76 2.858 -2.476 -2.740 1.00 0.00 O ATOM 893 CB LYS A 76 4.540 -4.864 -2.343 1.00 0.00 C ATOM 894 CG LYS A 76 5.629 -5.489 -1.480 1.00 0.00 C ATOM 895 CD LYS A 76 5.933 -6.914 -1.881 1.00 0.00 C ATOM 896 CE LYS A 76 5.097 -7.900 -1.094 1.00 0.00 C ATOM 897 NZ LYS A 76 5.512 -7.976 0.334 1.00 0.00 N ATOM 0 H LYS A 76 5.147 -2.100 -1.583 1.00 0.00 H new ATOM 0 HA LYS A 76 5.604 -3.819 -3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.674 -4.650 -1.716 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.221 -5.592 -3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.537 -4.891 -1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.319 -5.466 -0.435 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.742 -7.042 -2.947 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.991 -7.121 -1.719 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.048 -7.610 -1.151 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.180 -8.888 -1.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.904 -8.919 0.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.235 -7.253 0.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.687 -7.809 0.945 1.00 0.00 H new ATOM 911 N CYS A 77 3.600 -2.647 -4.848 1.00 0.00 N ATOM 912 CA CYS A 77 2.364 -2.129 -5.414 1.00 0.00 C ATOM 913 C CYS A 77 1.595 -3.250 -6.107 1.00 0.00 C ATOM 914 O CYS A 77 1.976 -3.717 -7.184 1.00 0.00 O ATOM 915 CB CYS A 77 2.625 -0.980 -6.393 1.00 0.00 C ATOM 916 SG CYS A 77 1.262 -0.713 -7.561 1.00 0.00 S ATOM 0 H CYS A 77 4.340 -2.828 -5.526 1.00 0.00 H new ATOM 0 HA CYS A 77 1.764 -1.733 -4.595 1.00 0.00 H new ATOM 0 HB2 CYS A 77 2.797 -0.063 -5.829 1.00 0.00 H new ATOM 0 HB3 CYS A 77 3.538 -1.187 -6.951 1.00 0.00 H new ATOM 921 N CYS A 78 0.514 -3.683 -5.482 1.00 0.00 N ATOM 922 CA CYS A 78 -0.290 -4.773 -6.018 1.00 0.00 C ATOM 923 C CYS A 78 -1.643 -4.248 -6.490 1.00 0.00 C ATOM 924 O CYS A 78 -2.047 -3.152 -6.110 1.00 0.00 O ATOM 925 CB CYS A 78 -0.479 -5.847 -4.942 1.00 0.00 C ATOM 926 SG CYS A 78 -1.459 -7.287 -5.475 1.00 0.00 S ATOM 0 H CYS A 78 0.171 -3.298 -4.602 1.00 0.00 H new ATOM 0 HA CYS A 78 0.224 -5.212 -6.873 1.00 0.00 H new ATOM 0 HB2 CYS A 78 0.502 -6.192 -4.615 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -0.963 -5.395 -4.076 1.00 0.00 H new ATOM 931 N CYS A 79 -2.321 -5.010 -7.340 1.00 0.00 N ATOM 932 CA CYS A 79 -3.661 -4.630 -7.763 1.00 0.00 C ATOM 933 C CYS A 79 -4.620 -5.783 -7.497 1.00 0.00 C ATOM 934 O CYS A 79 -4.680 -6.745 -8.262 1.00 0.00 O ATOM 935 CB CYS A 79 -3.675 -4.242 -9.244 1.00 0.00 C ATOM 936 SG CYS A 79 -5.233 -3.527 -9.816 1.00 0.00 S ATOM 0 H CYS A 79 -1.972 -5.879 -7.743 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.982 -3.759 -7.191 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.873 -3.527 -9.427 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.455 -5.127 -9.841 1.00 0.00 H new ATOM 0 HG CYS A 79 -5.349 -2.316 -9.358 1.00 0.00 H new ATOM 942 N GLU A 80 -5.347 -5.657 -6.397 1.00 0.00 N ATOM 943 CA GLU A 80 -6.235 -6.693 -5.879 1.00 0.00 C ATOM 944 C GLU A 80 -6.685 -6.203 -4.514 1.00 0.00 C ATOM 945 O GLU A 80 -5.938 -5.462 -3.864 1.00 0.00 O ATOM 946 CB GLU A 80 -5.490 -8.044 -5.790 1.00 0.00 C ATOM 947 CG GLU A 80 -6.353 -9.262 -5.482 1.00 0.00 C ATOM 948 CD GLU A 80 -6.586 -9.484 -4.001 1.00 0.00 C ATOM 949 OE1 GLU A 80 -5.614 -9.819 -3.281 1.00 0.00 O ATOM 950 OE2 GLU A 80 -7.739 -9.343 -3.559 1.00 0.00 O ATOM 0 H GLU A 80 -5.337 -4.813 -5.825 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.093 -6.864 -6.529 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.977 -8.217 -6.736 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.722 -7.963 -5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.316 -9.149 -5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.879 -10.148 -5.903 1.00 0.00 H new ATOM 957 N ASP A 81 -7.883 -6.565 -4.079 1.00 0.00 N ATOM 958 CA ASP A 81 -8.360 -5.955 -2.844 1.00 0.00 C ATOM 959 C ASP A 81 -7.508 -6.371 -1.676 1.00 0.00 C ATOM 960 O ASP A 81 -7.149 -7.537 -1.521 1.00 0.00 O ATOM 961 CB ASP A 81 -9.817 -6.276 -2.508 1.00 0.00 C ATOM 962 CG ASP A 81 -10.813 -5.566 -3.402 1.00 0.00 C ATOM 963 OD1 ASP A 81 -10.850 -4.312 -3.374 1.00 0.00 O ATOM 964 OD2 ASP A 81 -11.624 -6.242 -4.059 1.00 0.00 O ATOM 0 H ASP A 81 -8.509 -7.234 -4.527 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.290 -4.882 -3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.972 -7.352 -2.588 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -10.011 -6.002 -1.471 1.00 0.00 H new ATOM 969 N LEU A 82 -7.175 -5.393 -0.858 1.00 0.00 N ATOM 970 CA LEU A 82 -6.474 -5.621 0.391 1.00 0.00 C ATOM 971 C LEU A 82 -5.064 -6.154 0.134 1.00 0.00 C ATOM 972 O LEU A 82 -4.324 -6.389 1.079 1.00 0.00 O ATOM 973 CB LEU A 82 -7.240 -6.619 1.294 1.00 0.00 C ATOM 974 CG LEU A 82 -8.755 -6.385 1.496 1.00 0.00 C ATOM 975 CD1 LEU A 82 -9.131 -4.915 1.408 1.00 0.00 C ATOM 976 CD2 LEU A 82 -9.578 -7.241 0.547 1.00 0.00 C ATOM 0 H LEU A 82 -7.384 -4.412 -1.042 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.410 -4.661 0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.107 -7.618 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.766 -6.616 2.275 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.994 -6.701 2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.205 -4.805 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.599 -4.357 2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.859 -4.528 0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.639 -7.053 0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.323 -6.990 -0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.363 -8.294 0.728 1.00 0.00 H new ATOM 988 N CYS A 83 -4.689 -6.285 -1.146 1.00 0.00 N ATOM 989 CA CYS A 83 -3.486 -7.029 -1.553 1.00 0.00 C ATOM 990 C CYS A 83 -2.225 -6.533 -0.858 1.00 0.00 C ATOM 991 O CYS A 83 -1.221 -7.245 -0.791 1.00 0.00 O ATOM 992 CB CYS A 83 -3.300 -6.954 -3.068 1.00 0.00 C ATOM 993 SG CYS A 83 -2.063 -8.125 -3.728 1.00 0.00 S ATOM 0 H CYS A 83 -5.207 -5.881 -1.926 1.00 0.00 H new ATOM 0 HA CYS A 83 -3.642 -8.064 -1.249 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -4.259 -7.145 -3.551 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.004 -5.940 -3.337 1.00 0.00 H new ATOM 998 N ASN A 84 -2.280 -5.328 -0.320 1.00 0.00 N ATOM 999 CA ASN A 84 -1.160 -4.816 0.447 1.00 0.00 C ATOM 1000 C ASN A 84 -1.153 -5.423 1.858 1.00 0.00 C ATOM 1001 O ASN A 84 -0.822 -4.753 2.831 1.00 0.00 O ATOM 1002 CB ASN A 84 -1.195 -3.282 0.498 1.00 0.00 C ATOM 1003 CG ASN A 84 -2.427 -2.706 1.170 1.00 0.00 C ATOM 1004 OD1 ASN A 84 -3.512 -3.293 1.160 1.00 0.00 O ATOM 1005 ND2 ASN A 84 -2.264 -1.525 1.741 1.00 0.00 N ATOM 0 H ASN A 84 -3.075 -4.694 -0.398 1.00 0.00 H new ATOM 0 HA ASN A 84 -0.235 -5.110 -0.048 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -0.309 -2.928 1.025 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.136 -2.895 -0.519 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.053 -1.065 2.196 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -1.349 -1.074 1.727 1.00 0.00 H new ATOM 1012 N ARG A 85 -1.513 -6.708 1.942 1.00 0.00 N ATOM 1013 CA ARG A 85 -1.434 -7.452 3.197 1.00 0.00 C ATOM 1014 C ARG A 85 0.021 -7.642 3.606 1.00 0.00 C ATOM 1015 O ARG A 85 0.924 -7.559 2.768 1.00 0.00 O ATOM 1016 CB ARG A 85 -2.077 -8.846 3.068 1.00 0.00 C ATOM 1017 CG ARG A 85 -3.589 -8.897 3.271 1.00 0.00 C ATOM 1018 CD ARG A 85 -4.356 -9.028 1.959 1.00 0.00 C ATOM 1019 NE ARG A 85 -4.001 -10.224 1.190 1.00 0.00 N ATOM 1020 CZ ARG A 85 -4.404 -10.444 -0.072 1.00 0.00 C ATOM 1021 NH1 ARG A 85 -5.217 -9.585 -0.678 1.00 0.00 N ATOM 1022 NH2 ARG A 85 -4.014 -11.534 -0.722 1.00 0.00 N ATOM 0 H ARG A 85 -1.862 -7.252 1.153 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.972 -6.873 3.947 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.848 -9.242 2.079 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.609 -9.511 3.794 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.836 -9.739 3.917 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -3.913 -7.993 3.787 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.425 -9.047 2.173 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.169 -8.145 1.348 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.415 -10.929 1.638 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -5.539 -8.752 -0.184 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.519 -9.758 -1.637 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.404 -12.211 -0.263 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.324 -11.695 -1.680 1.00 0.00 H new ATOM 1036 N SER A 86 0.237 -7.919 4.881 1.00 0.00 N ATOM 1037 CA SER A 86 1.566 -8.243 5.365 1.00 0.00 C ATOM 1038 C SER A 86 1.955 -9.643 4.886 1.00 0.00 C ATOM 1039 O SER A 86 1.649 -10.640 5.539 1.00 0.00 O ATOM 1040 CB SER A 86 1.602 -8.160 6.893 1.00 0.00 C ATOM 1041 OG SER A 86 0.998 -6.957 7.346 1.00 0.00 O ATOM 0 H SER A 86 -0.489 -7.926 5.597 1.00 0.00 H new ATOM 0 HA SER A 86 2.284 -7.525 4.969 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.082 -9.017 7.321 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.634 -8.208 7.240 1.00 0.00 H new ATOM 0 HG SER A 86 1.603 -6.501 7.967 1.00 0.00 H new ATOM 1047 N GLU A 87 2.598 -9.690 3.719 1.00 0.00 N ATOM 1048 CA GLU A 87 2.956 -10.941 3.046 1.00 0.00 C ATOM 1049 C GLU A 87 1.745 -11.859 2.877 1.00 0.00 C ATOM 1050 O GLU A 87 1.533 -12.785 3.659 1.00 0.00 O ATOM 1051 CB GLU A 87 4.094 -11.673 3.769 1.00 0.00 C ATOM 1052 CG GLU A 87 5.360 -10.840 3.906 1.00 0.00 C ATOM 1053 CD GLU A 87 5.549 -9.871 2.754 1.00 0.00 C ATOM 1054 OE1 GLU A 87 5.968 -10.295 1.657 1.00 0.00 O ATOM 1055 OE2 GLU A 87 5.252 -8.672 2.935 1.00 0.00 O ATOM 0 H GLU A 87 2.888 -8.855 3.209 1.00 0.00 H new ATOM 0 HA GLU A 87 3.313 -10.670 2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.753 -11.968 4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.328 -12.589 3.227 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.324 -10.283 4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.223 -11.504 3.963 1.00 0.00 H new ATOM 1062 N GLN A 88 0.950 -11.576 1.846 1.00 0.00 N ATOM 1063 CA GLN A 88 -0.251 -12.351 1.548 1.00 0.00 C ATOM 1064 C GLN A 88 -1.193 -12.415 2.746 1.00 0.00 C ATOM 1065 O GLN A 88 -2.361 -12.030 2.637 1.00 0.00 O ATOM 1066 CB GLN A 88 0.110 -13.761 1.086 1.00 0.00 C ATOM 1067 CG GLN A 88 0.702 -13.820 -0.315 1.00 0.00 C ATOM 1068 CD GLN A 88 -0.251 -13.293 -1.372 1.00 0.00 C ATOM 1069 OE1 GLN A 88 -1.078 -14.030 -1.900 1.00 0.00 O ATOM 1070 NE2 GLN A 88 -0.133 -12.015 -1.700 1.00 0.00 N ATOM 0 H GLN A 88 1.120 -10.807 1.198 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.771 -11.839 0.738 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.823 -14.191 1.789 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.784 -14.383 1.118 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.625 -13.240 -0.341 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.967 -14.851 -0.551 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.566 -11.433 -1.239 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.742 -11.613 -2.413 1.00 0.00 H new TER 1079 GLN A 88