USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 660 hydrogens (21 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 LEU N :NH3+ -111:sc= 0.187 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 58:sc= -0.404 USER MOD Single : A 4 THR OG1 : rot -159:sc= -4! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0306) USER MOD Single : A 13 SER OG : rot 59:sc= 0.554 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN :FLIP amide:sc= -2.01! C(o=-3.5!,f=-2!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -1.09 X(o=-1.1,f=-1.2) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.829 K(o=-0.83,f=-4.5!) USER MOD Single : A 27 SER OG : rot 64:sc= 0.0858 USER MOD Single : A 28 ASN : amide:sc= -3.18! C(o=-3.2!,f=-8.5!) USER MOD Single : A 30 THR OG1 : rot -11:sc= 0.995 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0905 K(o=-0.09,f=-1.8) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0601 USER MOD Single : A 58 GLN : amide:sc= -2.75 X(o=-2.8,f=-2.4!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -6.31! C(o=-6.3!,f=-5.9!) USER MOD Single : A 65 THR OG1 : rot -170:sc= -0.847 USER MOD Single : A 67 GLN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 72 TYR OH : rot 72:sc= 0.568 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.029 X(o=-0.029,f=-0.23) USER MOD Single : A 77 ASN :FLIP amide:sc= -1.86 F(o=-3.5!,f=-1.9) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.0128 X(o=-0.013,f=-0.26) USER MOD Single : A 137 PNS O33 : rot -101:sc= -0.0233 USER MOD Single : A 137 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -0.749 -0.411 -2.757 1.00 0.00 N ATOM 2 CA LEU A 1 0.110 0.160 -1.726 1.00 0.00 C ATOM 3 C LEU A 1 0.766 1.447 -2.214 1.00 0.00 C ATOM 4 O LEU A 1 1.930 1.450 -2.617 1.00 0.00 O ATOM 5 CB LEU A 1 1.184 -0.848 -1.314 1.00 0.00 C ATOM 6 CG LEU A 1 2.035 -0.465 -0.103 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.249 -0.658 1.185 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.319 -1.282 -0.073 1.00 0.00 C ATOM 0 H1 LEU A 1 -1.744 -0.329 -2.465 1.00 0.00 H new ATOM 0 H2 LEU A 1 -0.607 0.102 -3.650 1.00 0.00 H new ATOM 0 H3 LEU A 1 -0.510 -1.414 -2.892 1.00 0.00 H new ATOM 0 HA LEU A 1 -0.510 0.396 -0.861 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.698 -1.801 -1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.848 -1.009 -2.163 1.00 0.00 H new ATOM 0 HG LEU A 1 2.300 0.589 -0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.871 -0.380 2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 1 0.359 -0.029 1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 1 0.953 -1.703 1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.912 -0.996 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.074 -2.342 -0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.891 -1.094 -0.981 1.00 0.00 H new ATOM 20 N LYS A 2 0.013 2.541 -2.174 1.00 0.00 N ATOM 21 CA LYS A 2 0.521 3.837 -2.609 1.00 0.00 C ATOM 22 C LYS A 2 0.562 4.824 -1.447 1.00 0.00 C ATOM 23 O LYS A 2 1.319 5.794 -1.470 1.00 0.00 O ATOM 24 CB LYS A 2 -0.350 4.396 -3.737 1.00 0.00 C ATOM 25 CG LYS A 2 -1.771 4.715 -3.307 1.00 0.00 C ATOM 26 CD LYS A 2 -2.663 3.487 -3.377 1.00 0.00 C ATOM 27 CE LYS A 2 -3.651 3.580 -4.529 1.00 0.00 C ATOM 28 NZ LYS A 2 -4.901 2.820 -4.251 1.00 0.00 N ATOM 0 H LYS A 2 -0.952 2.556 -1.844 1.00 0.00 H new ATOM 0 HA LYS A 2 1.537 3.696 -2.978 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.114 5.301 -4.128 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.380 3.674 -4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.765 5.104 -2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.178 5.499 -3.946 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.047 2.595 -3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.206 3.377 -2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.896 4.626 -4.714 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.187 3.196 -5.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -5.548 2.908 -5.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -4.671 1.817 -4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -5.358 3.203 -3.399 1.00 0.00 H new ATOM 42 N SER A 3 -0.256 4.568 -0.431 1.00 0.00 N ATOM 43 CA SER A 3 -0.314 5.435 0.740 1.00 0.00 C ATOM 44 C SER A 3 -1.272 4.872 1.786 1.00 0.00 C ATOM 45 O SER A 3 -1.814 3.778 1.625 1.00 0.00 O ATOM 46 CB SER A 3 -0.753 6.844 0.336 1.00 0.00 C ATOM 47 OG SER A 3 0.331 7.754 0.398 1.00 0.00 O ATOM 0 H SER A 3 -0.887 3.768 -0.395 1.00 0.00 H new ATOM 0 HA SER A 3 0.684 5.484 1.175 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.159 6.826 -0.675 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.553 7.182 0.995 1.00 0.00 H new ATOM 0 HG SER A 3 1.052 7.445 -0.189 1.00 0.00 H new ATOM 53 N THR A 4 -1.476 5.628 2.861 1.00 0.00 N ATOM 54 CA THR A 4 -2.366 5.206 3.934 1.00 0.00 C ATOM 55 C THR A 4 -3.752 4.868 3.398 1.00 0.00 C ATOM 56 O THR A 4 -4.499 4.106 4.014 1.00 0.00 O ATOM 57 CB THR A 4 -2.498 6.295 5.016 1.00 0.00 C ATOM 58 OG1 THR A 4 -1.200 6.751 5.412 1.00 0.00 O ATOM 59 CG2 THR A 4 -3.247 5.764 6.229 1.00 0.00 C ATOM 0 H THR A 4 -1.036 6.536 3.011 1.00 0.00 H new ATOM 0 HA THR A 4 -1.924 4.314 4.378 1.00 0.00 H new ATOM 0 HB THR A 4 -3.063 7.128 4.596 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.257 7.173 6.295 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.328 6.550 6.980 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.245 5.444 5.929 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.705 4.916 6.649 1.00 0.00 H new ATOM 67 N PHE A 5 -4.092 5.438 2.247 1.00 0.00 N ATOM 68 CA PHE A 5 -5.390 5.197 1.628 1.00 0.00 C ATOM 69 C PHE A 5 -5.712 3.705 1.603 1.00 0.00 C ATOM 70 O PHE A 5 -6.868 3.307 1.743 1.00 0.00 O ATOM 71 CB PHE A 5 -5.412 5.758 0.205 1.00 0.00 C ATOM 72 CG PHE A 5 -6.702 6.441 -0.150 1.00 0.00 C ATOM 73 CD1 PHE A 5 -7.905 5.988 0.365 1.00 0.00 C ATOM 74 CD2 PHE A 5 -6.710 7.536 -1.000 1.00 0.00 C ATOM 75 CE1 PHE A 5 -9.094 6.615 0.041 1.00 0.00 C ATOM 76 CE2 PHE A 5 -7.895 8.167 -1.327 1.00 0.00 C ATOM 77 CZ PHE A 5 -9.089 7.705 -0.807 1.00 0.00 C ATOM 0 H PHE A 5 -3.486 6.070 1.724 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.148 5.705 2.224 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.591 6.466 0.089 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -5.234 4.946 -0.500 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.915 5.135 1.027 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.780 7.900 -1.411 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -10.025 6.253 0.451 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.888 9.021 -1.989 1.00 0.00 H new ATOM 0 HZ PHE A 5 -10.017 8.195 -1.063 1.00 0.00 H new ATOM 87 N ASP A 6 -4.681 2.887 1.424 1.00 0.00 N ATOM 88 CA ASP A 6 -4.853 1.439 1.381 1.00 0.00 C ATOM 89 C ASP A 6 -5.556 0.938 2.639 1.00 0.00 C ATOM 90 O ASP A 6 -6.659 0.397 2.572 1.00 0.00 O ATOM 91 CB ASP A 6 -3.498 0.747 1.228 1.00 0.00 C ATOM 92 CG ASP A 6 -3.476 -0.234 0.073 1.00 0.00 C ATOM 93 OD1 ASP A 6 -3.319 0.213 -1.082 1.00 0.00 O ATOM 94 OD2 ASP A 6 -3.616 -1.450 0.324 1.00 0.00 O ATOM 0 H ASP A 6 -3.718 3.201 1.306 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.474 1.197 0.519 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.724 1.500 1.076 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.255 0.222 2.152 1.00 0.00 H new ATOM 99 N ASP A 7 -4.908 1.120 3.784 1.00 0.00 N ATOM 100 CA ASP A 7 -5.470 0.687 5.058 1.00 0.00 C ATOM 101 C ASP A 7 -6.679 1.536 5.436 1.00 0.00 C ATOM 102 O ASP A 7 -7.597 1.063 6.106 1.00 0.00 O ATOM 103 CB ASP A 7 -4.412 0.765 6.160 1.00 0.00 C ATOM 104 CG ASP A 7 -3.375 -0.335 6.047 1.00 0.00 C ATOM 105 OD1 ASP A 7 -2.757 -0.460 4.968 1.00 0.00 O ATOM 106 OD2 ASP A 7 -3.181 -1.071 7.037 1.00 0.00 O ATOM 0 H ASP A 7 -3.993 1.565 3.856 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.795 -0.348 4.950 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.915 1.734 6.115 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.900 0.702 7.133 1.00 0.00 H new ATOM 111 N ILE A 8 -6.673 2.792 5.001 1.00 0.00 N ATOM 112 CA ILE A 8 -7.769 3.707 5.294 1.00 0.00 C ATOM 113 C ILE A 8 -9.051 3.270 4.593 1.00 0.00 C ATOM 114 O ILE A 8 -10.145 3.385 5.146 1.00 0.00 O ATOM 115 CB ILE A 8 -7.429 5.147 4.868 1.00 0.00 C ATOM 116 CG1 ILE A 8 -6.782 5.906 6.029 1.00 0.00 C ATOM 117 CG2 ILE A 8 -8.681 5.868 4.390 1.00 0.00 C ATOM 118 CD1 ILE A 8 -6.041 7.152 5.598 1.00 0.00 C ATOM 0 H ILE A 8 -5.921 3.199 4.444 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.921 3.683 6.373 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.718 5.108 4.042 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.554 6.182 6.747 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.089 5.242 6.546 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.424 6.885 4.092 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.104 5.336 3.538 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.413 5.900 5.197 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.608 7.639 6.472 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.246 6.881 4.903 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.734 7.836 5.108 1.00 0.00 H new ATOM 130 N LYS A 9 -8.909 2.768 3.371 1.00 0.00 N ATOM 131 CA LYS A 9 -10.054 2.310 2.593 1.00 0.00 C ATOM 132 C LYS A 9 -10.538 0.950 3.086 1.00 0.00 C ATOM 133 O LYS A 9 -11.702 0.591 2.908 1.00 0.00 O ATOM 134 CB LYS A 9 -9.689 2.227 1.109 1.00 0.00 C ATOM 135 CG LYS A 9 -9.186 0.859 0.683 1.00 0.00 C ATOM 136 CD LYS A 9 -8.259 0.955 -0.518 1.00 0.00 C ATOM 137 CE LYS A 9 -8.683 0.003 -1.626 1.00 0.00 C ATOM 138 NZ LYS A 9 -7.513 -0.526 -2.380 1.00 0.00 N ATOM 0 H LYS A 9 -8.011 2.668 2.898 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.861 3.031 2.722 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.564 2.485 0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.923 2.971 0.889 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.659 0.389 1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.033 0.218 0.439 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.256 1.977 -0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.239 0.726 -0.211 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.244 -0.827 -1.197 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.354 0.520 -2.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.844 -1.171 -3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.992 0.264 -2.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.885 -1.041 -1.730 1.00 0.00 H new ATOM 152 N LYS A 10 -9.637 0.196 3.707 1.00 0.00 N ATOM 153 CA LYS A 10 -9.972 -1.124 4.228 1.00 0.00 C ATOM 154 C LYS A 10 -10.728 -1.012 5.547 1.00 0.00 C ATOM 155 O LYS A 10 -11.608 -1.823 5.840 1.00 0.00 O ATOM 156 CB LYS A 10 -8.701 -1.954 4.425 1.00 0.00 C ATOM 157 CG LYS A 10 -8.293 -2.105 5.880 1.00 0.00 C ATOM 158 CD LYS A 10 -6.958 -2.818 6.014 1.00 0.00 C ATOM 159 CE LYS A 10 -7.145 -4.305 6.274 1.00 0.00 C ATOM 160 NZ LYS A 10 -7.440 -4.585 7.707 1.00 0.00 N ATOM 0 H LYS A 10 -8.669 0.477 3.862 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.615 -1.622 3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.853 -2.944 3.994 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.884 -1.489 3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.229 -1.121 6.345 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.060 -2.663 6.418 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.376 -2.677 5.103 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.387 -2.374 6.829 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.959 -4.682 5.655 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.244 -4.842 5.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.410 -5.611 7.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.730 -4.116 8.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.386 -4.224 7.944 1.00 0.00 H new ATOM 174 N ILE A 11 -10.382 -0.003 6.339 1.00 0.00 N ATOM 175 CA ILE A 11 -11.031 0.216 7.626 1.00 0.00 C ATOM 176 C ILE A 11 -12.384 0.898 7.450 1.00 0.00 C ATOM 177 O ILE A 11 -13.366 0.526 8.094 1.00 0.00 O ATOM 178 CB ILE A 11 -10.155 1.071 8.560 1.00 0.00 C ATOM 179 CG1 ILE A 11 -9.800 2.398 7.888 1.00 0.00 C ATOM 180 CG2 ILE A 11 -8.895 0.311 8.946 1.00 0.00 C ATOM 181 CD1 ILE A 11 -8.801 3.223 8.670 1.00 0.00 C ATOM 0 H ILE A 11 -9.656 0.676 6.112 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.177 -0.765 8.077 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.718 1.285 9.468 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.396 2.197 6.896 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.711 2.981 7.749 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.286 0.928 9.606 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.169 -0.610 9.460 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.326 0.070 8.048 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.596 4.150 8.134 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.211 3.455 9.653 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.876 2.659 8.787 1.00 0.00 H new ATOM 193 N ILE A 12 -12.428 1.896 6.574 1.00 0.00 N ATOM 194 CA ILE A 12 -13.661 2.627 6.312 1.00 0.00 C ATOM 195 C ILE A 12 -14.675 1.753 5.582 1.00 0.00 C ATOM 196 O ILE A 12 -15.883 1.902 5.763 1.00 0.00 O ATOM 197 CB ILE A 12 -13.397 3.894 5.477 1.00 0.00 C ATOM 198 CG1 ILE A 12 -12.866 3.517 4.092 1.00 0.00 C ATOM 199 CG2 ILE A 12 -12.416 4.808 6.196 1.00 0.00 C ATOM 200 CD1 ILE A 12 -13.904 3.619 2.998 1.00 0.00 C ATOM 0 H ILE A 12 -11.624 2.217 6.034 1.00 0.00 H new ATOM 0 HA ILE A 12 -14.067 2.918 7.281 1.00 0.00 H new ATOM 0 HB ILE A 12 -14.337 4.431 5.351 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.025 4.166 3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.483 2.497 4.124 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -12.240 5.699 5.593 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.830 5.099 7.161 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.474 4.282 6.350 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.457 3.337 2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -14.735 2.950 3.221 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -14.270 4.644 2.938 1.00 0.00 H new ATOM 212 N SER A 13 -14.174 0.838 4.757 1.00 0.00 N ATOM 213 CA SER A 13 -15.036 -0.060 3.998 1.00 0.00 C ATOM 214 C SER A 13 -15.581 -1.172 4.889 1.00 0.00 C ATOM 215 O SER A 13 -16.729 -1.593 4.745 1.00 0.00 O ATOM 216 CB SER A 13 -14.267 -0.665 2.821 1.00 0.00 C ATOM 217 OG SER A 13 -15.004 -1.713 2.216 1.00 0.00 O ATOM 0 H SER A 13 -13.176 0.700 4.598 1.00 0.00 H new ATOM 0 HA SER A 13 -15.876 0.520 3.615 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.057 0.109 2.083 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.306 -1.045 3.167 1.00 0.00 H new ATOM 0 HG SER A 13 -15.866 -1.368 1.903 1.00 0.00 H new ATOM 223 N LYS A 14 -14.750 -1.644 5.811 1.00 0.00 N ATOM 224 CA LYS A 14 -15.146 -2.706 6.728 1.00 0.00 C ATOM 225 C LYS A 14 -16.014 -2.155 7.856 1.00 0.00 C ATOM 226 O LYS A 14 -16.804 -2.884 8.455 1.00 0.00 O ATOM 227 CB LYS A 14 -13.909 -3.393 7.311 1.00 0.00 C ATOM 228 CG LYS A 14 -14.237 -4.498 8.300 1.00 0.00 C ATOM 229 CD LYS A 14 -13.995 -4.054 9.733 1.00 0.00 C ATOM 230 CE LYS A 14 -14.869 -4.825 10.710 1.00 0.00 C ATOM 231 NZ LYS A 14 -14.965 -4.139 12.028 1.00 0.00 N ATOM 0 H LYS A 14 -13.796 -1.307 5.943 1.00 0.00 H new ATOM 0 HA LYS A 14 -15.729 -3.437 6.168 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.317 -3.810 6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.288 -2.646 7.806 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.279 -4.796 8.182 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.628 -5.375 8.082 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.945 -4.201 9.988 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.199 -2.987 9.824 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.867 -4.944 10.289 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.461 -5.826 10.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.569 -4.696 12.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.015 -4.048 12.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.378 -3.193 11.898 1.00 0.00 H new ATOM 245 N GLN A 15 -15.861 -0.866 8.138 1.00 0.00 N ATOM 246 CA GLN A 15 -16.632 -0.219 9.193 1.00 0.00 C ATOM 247 C GLN A 15 -17.951 0.321 8.651 1.00 0.00 C ATOM 248 O GLN A 15 -19.015 0.082 9.225 1.00 0.00 O ATOM 249 CB GLN A 15 -15.822 0.917 9.822 1.00 0.00 C ATOM 250 CG GLN A 15 -16.216 1.222 11.258 1.00 0.00 C ATOM 251 CD GLN A 15 -17.717 1.198 11.469 1.00 0.00 C ATOM 252 OE1 GLN A 15 -18.412 2.174 10.896 1.00 0.00 O flip ATOM 253 NE2 GLN A 15 -18.247 0.312 12.140 1.00 0.00 N flip ATOM 0 H GLN A 15 -15.211 -0.249 7.651 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.853 -0.965 9.956 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.764 0.658 9.792 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -15.947 1.817 9.221 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -15.748 0.495 11.921 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -15.829 2.202 11.536 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -17.675 -0.419 12.562 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -19.258 0.309 12.273 1.00 0.00 H new ATOM 262 N LEU A 16 -17.876 1.049 7.543 1.00 0.00 N ATOM 263 CA LEU A 16 -19.065 1.624 6.923 1.00 0.00 C ATOM 264 C LEU A 16 -19.424 0.879 5.641 1.00 0.00 C ATOM 265 O LEU A 16 -20.376 0.100 5.610 1.00 0.00 O ATOM 266 CB LEU A 16 -18.840 3.106 6.619 1.00 0.00 C ATOM 267 CG LEU A 16 -18.623 4.014 7.831 1.00 0.00 C ATOM 268 CD1 LEU A 16 -17.137 4.210 8.091 1.00 0.00 C ATOM 269 CD2 LEU A 16 -19.311 5.355 7.622 1.00 0.00 C ATOM 0 H LEU A 16 -17.004 1.255 7.055 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.894 1.525 7.624 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -17.973 3.195 5.964 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.700 3.477 6.062 1.00 0.00 H new ATOM 0 HG LEU A 16 -19.064 3.534 8.705 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -17.002 4.858 8.957 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.671 3.244 8.285 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.672 4.668 7.218 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -19.146 5.988 8.494 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -18.899 5.841 6.737 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.381 5.198 7.485 1.00 0.00 H new ATOM 281 N SER A 17 -18.654 1.123 4.586 1.00 0.00 N ATOM 282 CA SER A 17 -18.892 0.477 3.300 1.00 0.00 C ATOM 283 C SER A 17 -17.879 0.948 2.260 1.00 0.00 C ATOM 284 O SER A 17 -17.143 0.146 1.686 1.00 0.00 O ATOM 285 CB SER A 17 -20.313 0.768 2.814 1.00 0.00 C ATOM 286 OG SER A 17 -21.009 -0.431 2.525 1.00 0.00 O ATOM 0 H SER A 17 -17.860 1.763 4.596 1.00 0.00 H new ATOM 0 HA SER A 17 -18.775 -0.598 3.434 1.00 0.00 H new ATOM 0 HB2 SER A 17 -20.853 1.331 3.575 1.00 0.00 H new ATOM 0 HB3 SER A 17 -20.275 1.394 1.922 1.00 0.00 H new ATOM 0 HG SER A 17 -21.915 -0.218 2.218 1.00 0.00 H new ATOM 292 N VAL A 18 -17.849 2.255 2.022 1.00 0.00 N ATOM 293 CA VAL A 18 -16.928 2.835 1.053 1.00 0.00 C ATOM 294 C VAL A 18 -17.169 4.332 0.891 1.00 0.00 C ATOM 295 O VAL A 18 -18.305 4.771 0.712 1.00 0.00 O ATOM 296 CB VAL A 18 -17.058 2.154 -0.323 1.00 0.00 C ATOM 297 CG1 VAL A 18 -18.522 1.948 -0.680 1.00 0.00 C ATOM 298 CG2 VAL A 18 -16.350 2.972 -1.392 1.00 0.00 C ATOM 0 H VAL A 18 -18.453 2.933 2.488 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.921 2.672 1.438 1.00 0.00 H new ATOM 0 HB VAL A 18 -16.580 1.176 -0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -18.594 1.466 -1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -18.995 1.317 0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -19.027 2.913 -0.714 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.452 2.476 -2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -16.796 3.965 -1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -15.293 3.062 -1.141 1.00 0.00 H new ATOM 308 N GLU A 19 -16.093 5.110 0.956 1.00 0.00 N ATOM 309 CA GLU A 19 -16.190 6.558 0.817 1.00 0.00 C ATOM 310 C GLU A 19 -14.837 7.160 0.447 1.00 0.00 C ATOM 311 O GLU A 19 -14.453 8.211 0.960 1.00 0.00 O ATOM 312 CB GLU A 19 -16.701 7.184 2.116 1.00 0.00 C ATOM 313 CG GLU A 19 -15.844 6.858 3.327 1.00 0.00 C ATOM 314 CD GLU A 19 -16.418 5.730 4.161 1.00 0.00 C ATOM 315 OE1 GLU A 19 -16.584 4.617 3.619 1.00 0.00 O ATOM 316 OE2 GLU A 19 -16.702 5.958 5.355 1.00 0.00 O ATOM 0 H GLU A 19 -15.146 4.762 1.104 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.896 6.774 0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.747 8.266 1.994 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.719 6.841 2.299 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -14.842 6.586 2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -15.744 7.749 3.947 1.00 0.00 H new ATOM 323 N GLU A 20 -14.120 6.485 -0.446 1.00 0.00 N ATOM 324 CA GLU A 20 -12.810 6.953 -0.883 1.00 0.00 C ATOM 325 C GLU A 20 -12.943 8.163 -1.804 1.00 0.00 C ATOM 326 O GLU A 20 -11.984 8.906 -2.012 1.00 0.00 O ATOM 327 CB GLU A 20 -12.057 5.832 -1.602 1.00 0.00 C ATOM 328 CG GLU A 20 -12.124 4.495 -0.883 1.00 0.00 C ATOM 329 CD GLU A 20 -11.432 3.385 -1.649 1.00 0.00 C ATOM 330 OE1 GLU A 20 -10.350 3.640 -2.218 1.00 0.00 O ATOM 331 OE2 GLU A 20 -11.972 2.259 -1.680 1.00 0.00 O ATOM 0 H GLU A 20 -14.424 5.614 -0.880 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.246 7.251 0.001 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.466 5.716 -2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.012 6.122 -1.715 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.666 4.593 0.101 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.168 4.225 -0.723 1.00 0.00 H new ATOM 338 N ASP A 21 -14.138 8.352 -2.352 1.00 0.00 N ATOM 339 CA ASP A 21 -14.398 9.471 -3.250 1.00 0.00 C ATOM 340 C ASP A 21 -14.990 10.653 -2.489 1.00 0.00 C ATOM 341 O ASP A 21 -15.879 11.345 -2.987 1.00 0.00 O ATOM 342 CB ASP A 21 -15.347 9.043 -4.371 1.00 0.00 C ATOM 343 CG ASP A 21 -15.268 9.958 -5.577 1.00 0.00 C ATOM 344 OD1 ASP A 21 -14.195 10.008 -6.215 1.00 0.00 O ATOM 345 OD2 ASP A 21 -16.279 10.622 -5.885 1.00 0.00 O ATOM 0 H ASP A 21 -14.942 7.745 -2.190 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.449 9.782 -3.687 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.109 8.024 -4.676 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -16.369 9.032 -3.993 1.00 0.00 H new ATOM 350 N LYS A 22 -14.493 10.879 -1.277 1.00 0.00 N ATOM 351 CA LYS A 22 -14.972 11.977 -0.446 1.00 0.00 C ATOM 352 C LYS A 22 -14.157 12.081 0.840 1.00 0.00 C ATOM 353 O LYS A 22 -13.915 13.177 1.345 1.00 0.00 O ATOM 354 CB LYS A 22 -16.452 11.781 -0.110 1.00 0.00 C ATOM 355 CG LYS A 22 -16.721 10.576 0.774 1.00 0.00 C ATOM 356 CD LYS A 22 -18.145 10.071 0.610 1.00 0.00 C ATOM 357 CE LYS A 22 -19.161 11.143 0.974 1.00 0.00 C ATOM 358 NZ LYS A 22 -20.332 10.574 1.698 1.00 0.00 N ATOM 0 H LYS A 22 -13.758 10.316 -0.849 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.853 12.904 -1.007 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.825 12.676 0.388 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.015 11.674 -1.037 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.020 9.778 0.527 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.546 10.842 1.816 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.303 9.753 -0.421 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.297 9.195 1.241 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.683 11.901 1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.502 11.643 0.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -21.001 11.336 1.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -20.803 9.869 1.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.010 10.119 2.576 1.00 0.00 H new ATOM 372 N ILE A 23 -13.736 10.934 1.362 1.00 0.00 N ATOM 373 CA ILE A 23 -12.947 10.897 2.587 1.00 0.00 C ATOM 374 C ILE A 23 -11.570 11.518 2.373 1.00 0.00 C ATOM 375 O ILE A 23 -10.993 12.101 3.290 1.00 0.00 O ATOM 376 CB ILE A 23 -12.773 9.456 3.102 1.00 0.00 C ATOM 377 CG1 ILE A 23 -12.194 9.464 4.518 1.00 0.00 C ATOM 378 CG2 ILE A 23 -11.878 8.662 2.162 1.00 0.00 C ATOM 379 CD1 ILE A 23 -13.248 9.503 5.602 1.00 0.00 C ATOM 0 H ILE A 23 -13.928 10.018 0.956 1.00 0.00 H new ATOM 0 HA ILE A 23 -13.493 11.477 3.331 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.751 8.976 3.132 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.577 8.576 4.654 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.538 10.328 4.629 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.765 7.646 2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.328 8.632 1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.899 9.138 2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.765 9.507 6.579 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.850 10.405 5.492 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.889 8.626 5.518 1.00 0.00 H new ATOM 391 N GLN A 24 -11.052 11.389 1.156 1.00 0.00 N ATOM 392 CA GLN A 24 -9.744 11.939 0.821 1.00 0.00 C ATOM 393 C GLN A 24 -9.855 13.408 0.428 1.00 0.00 C ATOM 394 O GLN A 24 -9.384 13.814 -0.635 1.00 0.00 O ATOM 395 CB GLN A 24 -9.108 11.140 -0.319 1.00 0.00 C ATOM 396 CG GLN A 24 -9.992 11.029 -1.550 1.00 0.00 C ATOM 397 CD GLN A 24 -9.542 11.939 -2.676 1.00 0.00 C ATOM 398 OE1 GLN A 24 -8.382 11.911 -3.086 1.00 0.00 O ATOM 399 NE2 GLN A 24 -10.461 12.752 -3.183 1.00 0.00 N ATOM 0 H GLN A 24 -11.518 10.909 0.386 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.110 11.866 1.705 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.166 11.610 -0.600 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.870 10.138 0.039 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.992 9.997 -1.900 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.019 11.274 -1.278 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.411 12.742 -2.812 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.217 13.387 -3.943 1.00 0.00 H new ATOM 408 N MET A 25 -10.481 14.201 1.291 1.00 0.00 N ATOM 409 CA MET A 25 -10.653 15.626 1.034 1.00 0.00 C ATOM 410 C MET A 25 -9.394 16.402 1.406 1.00 0.00 C ATOM 411 O MET A 25 -9.342 17.623 1.269 1.00 0.00 O ATOM 412 CB MET A 25 -11.850 16.167 1.819 1.00 0.00 C ATOM 413 CG MET A 25 -13.137 16.211 1.011 1.00 0.00 C ATOM 414 SD MET A 25 -13.203 17.618 -0.114 1.00 0.00 S ATOM 415 CE MET A 25 -14.965 17.725 -0.420 1.00 0.00 C ATOM 0 H MET A 25 -10.878 13.881 2.175 1.00 0.00 H new ATOM 0 HA MET A 25 -10.837 15.757 -0.032 1.00 0.00 H new ATOM 0 HB2 MET A 25 -12.006 15.546 2.701 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.618 17.172 2.173 1.00 0.00 H new ATOM 0 HG2 MET A 25 -13.234 15.288 0.439 1.00 0.00 H new ATOM 0 HG3 MET A 25 -13.987 16.255 1.692 1.00 0.00 H new ATOM 0 HE1 MET A 25 -15.166 18.552 -1.101 1.00 0.00 H new ATOM 0 HE2 MET A 25 -15.314 16.794 -0.866 1.00 0.00 H new ATOM 0 HE3 MET A 25 -15.488 17.895 0.521 1.00 0.00 H new ATOM 425 N ASN A 26 -8.379 15.683 1.877 1.00 0.00 N ATOM 426 CA ASN A 26 -7.120 16.305 2.270 1.00 0.00 C ATOM 427 C ASN A 26 -7.348 17.367 3.341 1.00 0.00 C ATOM 428 O ASN A 26 -6.539 18.279 3.508 1.00 0.00 O ATOM 429 CB ASN A 26 -6.435 16.931 1.053 1.00 0.00 C ATOM 430 CG ASN A 26 -6.577 16.077 -0.192 1.00 0.00 C ATOM 431 OD1 ASN A 26 -7.651 16.003 -0.789 1.00 0.00 O ATOM 432 ND2 ASN A 26 -5.489 15.427 -0.591 1.00 0.00 N ATOM 0 H ASN A 26 -8.404 14.670 1.995 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.475 15.530 2.684 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.862 17.916 0.865 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.377 17.079 1.271 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.523 14.838 -1.423 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.619 15.517 -0.066 1.00 0.00 H new ATOM 439 N SER A 27 -8.456 17.242 4.065 1.00 0.00 N ATOM 440 CA SER A 27 -8.793 18.192 5.118 1.00 0.00 C ATOM 441 C SER A 27 -8.900 17.491 6.468 1.00 0.00 C ATOM 442 O SER A 27 -7.989 17.565 7.292 1.00 0.00 O ATOM 443 CB SER A 27 -10.110 18.901 4.792 1.00 0.00 C ATOM 444 OG SER A 27 -9.983 19.706 3.633 1.00 0.00 O ATOM 0 H SER A 27 -9.136 16.492 3.941 1.00 0.00 H new ATOM 0 HA SER A 27 -7.995 18.932 5.175 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.897 18.162 4.641 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.412 19.520 5.637 1.00 0.00 H new ATOM 0 HG SER A 27 -9.799 19.136 2.857 1.00 0.00 H new ATOM 450 N ASN A 28 -10.021 16.811 6.688 1.00 0.00 N ATOM 451 CA ASN A 28 -10.249 16.097 7.939 1.00 0.00 C ATOM 452 C ASN A 28 -11.090 14.846 7.705 1.00 0.00 C ATOM 453 O ASN A 28 -11.795 14.737 6.702 1.00 0.00 O ATOM 454 CB ASN A 28 -10.943 17.009 8.953 1.00 0.00 C ATOM 455 CG ASN A 28 -10.986 18.454 8.495 1.00 0.00 C ATOM 456 OD1 ASN A 28 -12.003 18.925 7.985 1.00 0.00 O ATOM 457 ND2 ASN A 28 -9.879 19.165 8.675 1.00 0.00 N ATOM 0 H ASN A 28 -10.785 16.740 6.016 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.281 15.794 8.337 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.960 16.654 9.121 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.422 16.949 9.908 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.848 20.143 8.386 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.059 18.733 9.102 1.00 0.00 H new ATOM 464 N PHE A 29 -11.010 13.903 8.638 1.00 0.00 N ATOM 465 CA PHE A 29 -11.763 12.659 8.535 1.00 0.00 C ATOM 466 C PHE A 29 -13.058 12.738 9.338 1.00 0.00 C ATOM 467 O PHE A 29 -14.086 12.188 8.938 1.00 0.00 O ATOM 468 CB PHE A 29 -10.917 11.483 9.026 1.00 0.00 C ATOM 469 CG PHE A 29 -10.240 10.727 7.919 1.00 0.00 C ATOM 470 CD1 PHE A 29 -9.278 11.339 7.131 1.00 0.00 C ATOM 471 CD2 PHE A 29 -10.565 9.404 7.665 1.00 0.00 C ATOM 472 CE1 PHE A 29 -8.655 10.646 6.111 1.00 0.00 C ATOM 473 CE2 PHE A 29 -9.944 8.706 6.646 1.00 0.00 C ATOM 474 CZ PHE A 29 -8.987 9.328 5.869 1.00 0.00 C ATOM 0 H PHE A 29 -10.431 13.977 9.474 1.00 0.00 H new ATOM 0 HA PHE A 29 -12.015 12.503 7.486 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -10.160 11.854 9.717 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.553 10.798 9.587 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.012 12.369 7.316 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.312 8.912 8.270 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.908 11.135 5.503 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.207 7.676 6.458 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.499 8.784 5.073 1.00 0.00 H new ATOM 484 N THR A 30 -13.002 13.427 10.473 1.00 0.00 N ATOM 485 CA THR A 30 -14.168 13.578 11.334 1.00 0.00 C ATOM 486 C THR A 30 -14.562 15.044 11.474 1.00 0.00 C ATOM 487 O THR A 30 -15.499 15.379 12.199 1.00 0.00 O ATOM 488 CB THR A 30 -13.912 12.991 12.735 1.00 0.00 C ATOM 489 OG1 THR A 30 -15.042 13.233 13.582 1.00 0.00 O ATOM 490 CG2 THR A 30 -12.666 13.601 13.358 1.00 0.00 C ATOM 0 H THR A 30 -12.161 13.890 10.818 1.00 0.00 H new ATOM 0 HA THR A 30 -14.983 13.029 10.862 1.00 0.00 H new ATOM 0 HB THR A 30 -13.759 11.917 12.632 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.653 13.860 13.141 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.506 13.171 14.347 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.803 13.390 12.726 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.795 14.680 13.448 1.00 0.00 H new ATOM 498 N LYS A 31 -13.842 15.915 10.775 1.00 0.00 N ATOM 499 CA LYS A 31 -14.117 17.346 10.819 1.00 0.00 C ATOM 500 C LYS A 31 -14.521 17.865 9.443 1.00 0.00 C ATOM 501 O LYS A 31 -15.053 18.968 9.316 1.00 0.00 O ATOM 502 CB LYS A 31 -12.889 18.107 11.323 1.00 0.00 C ATOM 503 CG LYS A 31 -11.893 17.232 12.064 1.00 0.00 C ATOM 504 CD LYS A 31 -10.684 18.029 12.523 1.00 0.00 C ATOM 505 CE LYS A 31 -9.736 17.176 13.352 1.00 0.00 C ATOM 506 NZ LYS A 31 -8.325 17.638 13.232 1.00 0.00 N ATOM 0 H LYS A 31 -13.063 15.654 10.171 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.946 17.510 11.507 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.389 18.575 10.475 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.216 18.910 11.983 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.379 16.777 12.927 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.569 16.419 11.415 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.156 18.423 11.655 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.013 18.885 13.111 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.040 17.207 14.398 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.807 16.137 13.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.711 17.031 13.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.026 17.585 12.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.252 18.621 13.563 1.00 0.00 H new ATOM 520 N ASP A 32 -14.265 17.063 8.415 1.00 0.00 N ATOM 521 CA ASP A 32 -14.604 17.441 7.048 1.00 0.00 C ATOM 522 C ASP A 32 -15.943 16.838 6.634 1.00 0.00 C ATOM 523 O ASP A 32 -16.904 17.559 6.364 1.00 0.00 O ATOM 524 CB ASP A 32 -13.506 16.988 6.084 1.00 0.00 C ATOM 525 CG ASP A 32 -13.439 17.848 4.837 1.00 0.00 C ATOM 526 OD1 ASP A 32 -13.052 19.030 4.952 1.00 0.00 O ATOM 527 OD2 ASP A 32 -13.774 17.339 3.747 1.00 0.00 O ATOM 0 H ASP A 32 -13.824 16.147 8.502 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.687 18.527 7.007 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.543 17.018 6.595 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.683 15.951 5.798 1.00 0.00 H new ATOM 532 N LEU A 33 -15.998 15.511 6.584 1.00 0.00 N ATOM 533 CA LEU A 33 -17.219 14.810 6.202 1.00 0.00 C ATOM 534 C LEU A 33 -18.242 14.843 7.332 1.00 0.00 C ATOM 535 O LEU A 33 -19.445 14.728 7.098 1.00 0.00 O ATOM 536 CB LEU A 33 -16.902 13.361 5.827 1.00 0.00 C ATOM 537 CG LEU A 33 -15.944 12.620 6.760 1.00 0.00 C ATOM 538 CD1 LEU A 33 -16.564 11.316 7.235 1.00 0.00 C ATOM 539 CD2 LEU A 33 -14.616 12.360 6.064 1.00 0.00 C ATOM 0 H LEU A 33 -15.212 14.899 6.803 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.645 15.318 5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -17.838 12.805 5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -16.479 13.351 4.822 1.00 0.00 H new ATOM 0 HG LEU A 33 -15.757 13.248 7.631 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.868 10.802 7.898 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -17.488 11.527 7.773 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.781 10.682 6.375 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.947 11.832 6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.784 11.753 5.175 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.165 13.309 5.775 1.00 0.00 H new ATOM 551 N GLY A 34 -17.757 15.002 8.559 1.00 0.00 N ATOM 552 CA GLY A 34 -18.643 15.050 9.708 1.00 0.00 C ATOM 553 C GLY A 34 -19.498 13.804 9.832 1.00 0.00 C ATOM 554 O GLY A 34 -20.713 13.893 10.008 1.00 0.00 O ATOM 0 H GLY A 34 -16.766 15.099 8.779 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -18.051 15.173 10.615 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.289 15.924 9.629 1.00 0.00 H new ATOM 558 N ALA A 35 -18.863 12.641 9.738 1.00 0.00 N ATOM 559 CA ALA A 35 -19.573 11.372 9.842 1.00 0.00 C ATOM 560 C ALA A 35 -20.031 11.114 11.273 1.00 0.00 C ATOM 561 O ALA A 35 -21.185 11.364 11.621 1.00 0.00 O ATOM 562 CB ALA A 35 -18.692 10.232 9.354 1.00 0.00 C ATOM 0 H ALA A 35 -17.858 12.551 9.590 1.00 0.00 H new ATOM 0 HA ALA A 35 -20.459 11.428 9.210 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -19.235 9.291 9.438 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -18.420 10.403 8.312 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -17.788 10.185 9.962 1.00 0.00 H new ATOM 568 N ASP A 36 -19.120 10.612 12.099 1.00 0.00 N ATOM 569 CA ASP A 36 -19.430 10.320 13.494 1.00 0.00 C ATOM 570 C ASP A 36 -18.234 9.684 14.195 1.00 0.00 C ATOM 571 O ASP A 36 -17.640 8.709 13.737 1.00 0.00 O ATOM 572 CB ASP A 36 -20.643 9.393 13.585 1.00 0.00 C ATOM 573 CG ASP A 36 -20.574 8.249 12.593 1.00 0.00 C ATOM 574 OD1 ASP A 36 -20.915 8.467 11.412 1.00 0.00 O ATOM 575 OD2 ASP A 36 -20.177 7.137 12.998 1.00 0.00 O ATOM 0 H ASP A 36 -18.160 10.399 11.827 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.663 11.260 13.994 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -20.713 8.990 14.595 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.551 9.969 13.408 1.00 0.00 H new ATOM 580 N SER A 37 -17.855 10.250 15.354 1.00 0.00 N ATOM 581 CA SER A 37 -16.724 9.820 16.207 1.00 0.00 C ATOM 582 C SER A 37 -16.639 8.291 16.354 1.00 0.00 C ATOM 583 O SER A 37 -15.558 7.702 16.371 1.00 0.00 O ATOM 584 CB SER A 37 -16.900 10.514 17.568 1.00 0.00 C ATOM 585 OG SER A 37 -18.067 10.040 18.241 1.00 0.00 O ATOM 0 H SER A 37 -18.347 11.055 15.742 1.00 0.00 H new ATOM 0 HA SER A 37 -15.781 10.109 15.744 1.00 0.00 H new ATOM 0 HB2 SER A 37 -16.021 10.334 18.187 1.00 0.00 H new ATOM 0 HB3 SER A 37 -16.973 11.592 17.423 1.00 0.00 H new ATOM 590 N LEU A 38 -17.806 7.665 16.461 1.00 0.00 N ATOM 591 CA LEU A 38 -17.885 6.216 16.607 1.00 0.00 C ATOM 592 C LEU A 38 -17.209 5.512 15.435 1.00 0.00 C ATOM 593 O LEU A 38 -16.308 4.695 15.626 1.00 0.00 O ATOM 594 CB LEU A 38 -19.346 5.773 16.709 1.00 0.00 C ATOM 595 CG LEU A 38 -20.240 6.614 17.620 1.00 0.00 C ATOM 596 CD1 LEU A 38 -21.056 7.604 16.803 1.00 0.00 C ATOM 597 CD2 LEU A 38 -21.155 5.718 18.444 1.00 0.00 C ATOM 0 H LEU A 38 -18.710 8.138 16.449 1.00 0.00 H new ATOM 0 HA LEU A 38 -17.363 5.939 17.523 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -19.776 5.776 15.708 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.368 4.742 17.062 1.00 0.00 H new ATOM 0 HG LEU A 38 -19.603 7.176 18.303 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -21.686 8.193 17.469 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.384 8.267 16.258 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.683 7.062 16.095 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -21.784 6.333 19.087 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -21.784 5.129 17.777 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -20.552 5.050 19.059 1.00 0.00 H new ATOM 609 N ASP A 39 -17.648 5.836 14.224 1.00 0.00 N ATOM 610 CA ASP A 39 -17.082 5.237 13.021 1.00 0.00 C ATOM 611 C ASP A 39 -15.614 5.619 12.862 1.00 0.00 C ATOM 612 O ASP A 39 -14.778 4.785 12.513 1.00 0.00 O ATOM 613 CB ASP A 39 -17.873 5.676 11.787 1.00 0.00 C ATOM 614 CG ASP A 39 -19.177 4.918 11.635 1.00 0.00 C ATOM 615 OD1 ASP A 39 -19.547 4.181 12.573 1.00 0.00 O ATOM 616 OD2 ASP A 39 -19.827 5.060 10.578 1.00 0.00 O ATOM 0 H ASP A 39 -18.394 6.510 14.049 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.148 4.153 13.119 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -18.082 6.744 11.854 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.263 5.526 10.896 1.00 0.00 H new ATOM 621 N LEU A 40 -15.307 6.886 13.118 1.00 0.00 N ATOM 622 CA LEU A 40 -13.939 7.380 13.003 1.00 0.00 C ATOM 623 C LEU A 40 -13.002 6.610 13.928 1.00 0.00 C ATOM 624 O LEU A 40 -12.036 5.994 13.478 1.00 0.00 O ATOM 625 CB LEU A 40 -13.886 8.873 13.331 1.00 0.00 C ATOM 626 CG LEU A 40 -12.492 9.499 13.388 1.00 0.00 C ATOM 627 CD1 LEU A 40 -12.094 10.041 12.024 1.00 0.00 C ATOM 628 CD2 LEU A 40 -12.443 10.600 14.437 1.00 0.00 C ATOM 0 H LEU A 40 -15.987 7.590 13.406 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.609 7.228 11.975 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.473 9.409 12.585 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -14.373 9.031 14.293 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.779 8.725 13.671 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.099 10.483 12.084 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.087 9.228 11.298 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.810 10.801 11.711 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.443 11.034 14.463 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -13.168 11.374 14.186 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.683 10.182 15.415 1.00 0.00 H new ATOM 640 N VAL A 41 -13.295 6.648 15.224 1.00 0.00 N ATOM 641 CA VAL A 41 -12.481 5.952 16.213 1.00 0.00 C ATOM 642 C VAL A 41 -12.441 4.453 15.934 1.00 0.00 C ATOM 643 O VAL A 41 -11.500 3.765 16.327 1.00 0.00 O ATOM 644 CB VAL A 41 -13.012 6.183 17.640 1.00 0.00 C ATOM 645 CG1 VAL A 41 -12.120 5.492 18.660 1.00 0.00 C ATOM 646 CG2 VAL A 41 -13.117 7.672 17.934 1.00 0.00 C ATOM 0 H VAL A 41 -14.091 7.154 15.613 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.473 6.360 16.138 1.00 0.00 H new ATOM 0 HB VAL A 41 -14.010 5.750 17.713 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -12.511 5.666 19.662 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -12.100 4.421 18.459 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.109 5.893 18.590 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.494 7.817 18.946 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -12.132 8.131 17.844 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.800 8.136 17.223 1.00 0.00 H new ATOM 656 N GLU A 42 -13.468 3.955 15.253 1.00 0.00 N ATOM 657 CA GLU A 42 -13.549 2.538 14.922 1.00 0.00 C ATOM 658 C GLU A 42 -12.566 2.181 13.811 1.00 0.00 C ATOM 659 O GLU A 42 -11.561 1.509 14.048 1.00 0.00 O ATOM 660 CB GLU A 42 -14.972 2.171 14.496 1.00 0.00 C ATOM 661 CG GLU A 42 -15.750 1.414 15.558 1.00 0.00 C ATOM 662 CD GLU A 42 -15.476 1.926 16.959 1.00 0.00 C ATOM 663 OE1 GLU A 42 -16.192 2.848 17.403 1.00 0.00 O ATOM 664 OE2 GLU A 42 -14.547 1.406 17.610 1.00 0.00 O ATOM 0 H GLU A 42 -14.255 4.512 14.920 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.286 1.968 15.813 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -15.513 3.083 14.243 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.926 1.566 13.591 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -16.817 1.495 15.348 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.494 0.356 15.505 1.00 0.00 H new ATOM 671 N LEU A 43 -12.862 2.636 12.599 1.00 0.00 N ATOM 672 CA LEU A 43 -12.005 2.365 11.450 1.00 0.00 C ATOM 673 C LEU A 43 -10.544 2.655 11.779 1.00 0.00 C ATOM 674 O LEU A 43 -9.645 1.941 11.334 1.00 0.00 O ATOM 675 CB LEU A 43 -12.446 3.207 10.251 1.00 0.00 C ATOM 676 CG LEU A 43 -12.308 4.722 10.407 1.00 0.00 C ATOM 677 CD1 LEU A 43 -11.034 5.214 9.738 1.00 0.00 C ATOM 678 CD2 LEU A 43 -13.525 5.431 9.830 1.00 0.00 C ATOM 0 H LEU A 43 -13.689 3.194 12.386 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.099 1.308 11.199 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.866 2.897 9.382 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.490 2.978 10.036 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.248 4.954 11.470 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.953 6.294 9.859 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.172 4.731 10.198 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.063 4.969 8.676 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.409 6.508 9.950 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.617 5.192 8.771 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.421 5.102 10.356 1.00 0.00 H new ATOM 690 N ILE A 44 -10.317 3.703 12.563 1.00 0.00 N ATOM 691 CA ILE A 44 -8.966 4.084 12.955 1.00 0.00 C ATOM 692 C ILE A 44 -8.314 3.000 13.807 1.00 0.00 C ATOM 693 O ILE A 44 -7.200 2.560 13.524 1.00 0.00 O ATOM 694 CB ILE A 44 -8.959 5.410 13.739 1.00 0.00 C ATOM 695 CG1 ILE A 44 -9.220 6.586 12.795 1.00 0.00 C ATOM 696 CG2 ILE A 44 -7.634 5.590 14.464 1.00 0.00 C ATOM 697 CD1 ILE A 44 -9.331 7.917 13.506 1.00 0.00 C ATOM 0 H ILE A 44 -11.051 4.303 12.939 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.396 4.212 12.035 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.756 5.380 14.482 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.414 6.640 12.063 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.141 6.400 12.242 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.645 6.531 15.013 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.485 4.765 15.161 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.821 5.603 13.738 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.516 8.705 12.776 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.155 7.881 14.218 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.402 8.125 14.037 1.00 0.00 H new ATOM 709 N MET A 45 -9.018 2.573 14.850 1.00 0.00 N ATOM 710 CA MET A 45 -8.509 1.537 15.742 1.00 0.00 C ATOM 711 C MET A 45 -8.093 0.298 14.956 1.00 0.00 C ATOM 712 O MET A 45 -7.227 -0.462 15.389 1.00 0.00 O ATOM 713 CB MET A 45 -9.567 1.164 16.782 1.00 0.00 C ATOM 714 CG MET A 45 -10.463 0.014 16.351 1.00 0.00 C ATOM 715 SD MET A 45 -9.873 -1.584 16.942 1.00 0.00 S ATOM 716 CE MET A 45 -11.278 -2.627 16.558 1.00 0.00 C ATOM 0 H MET A 45 -9.942 2.928 15.098 1.00 0.00 H new ATOM 0 HA MET A 45 -7.631 1.933 16.253 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.070 0.897 17.715 1.00 0.00 H new ATOM 0 HB3 MET A 45 -10.185 2.038 16.989 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.473 0.185 16.725 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.525 -0.005 15.263 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.066 -3.651 16.865 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.157 -2.263 17.090 1.00 0.00 H new ATOM 0 HE3 MET A 45 -11.467 -2.602 15.485 1.00 0.00 H new ATOM 726 N ALA A 46 -8.715 0.102 13.798 1.00 0.00 N ATOM 727 CA ALA A 46 -8.407 -1.044 12.950 1.00 0.00 C ATOM 728 C ALA A 46 -7.156 -0.790 12.117 1.00 0.00 C ATOM 729 O ALA A 46 -6.374 -1.706 11.857 1.00 0.00 O ATOM 730 CB ALA A 46 -9.589 -1.364 12.047 1.00 0.00 C ATOM 0 H ALA A 46 -9.435 0.721 13.425 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.214 -1.901 13.595 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.346 -2.221 11.419 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.461 -1.597 12.658 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.808 -0.503 11.416 1.00 0.00 H new ATOM 736 N LEU A 47 -6.971 0.458 11.700 1.00 0.00 N ATOM 737 CA LEU A 47 -5.814 0.833 10.895 1.00 0.00 C ATOM 738 C LEU A 47 -4.516 0.567 11.650 1.00 0.00 C ATOM 739 O LEU A 47 -3.580 -0.020 11.108 1.00 0.00 O ATOM 740 CB LEU A 47 -5.897 2.309 10.503 1.00 0.00 C ATOM 741 CG LEU A 47 -5.305 2.676 9.141 1.00 0.00 C ATOM 742 CD1 LEU A 47 -5.324 4.183 8.940 1.00 0.00 C ATOM 743 CD2 LEU A 47 -3.888 2.136 9.012 1.00 0.00 C ATOM 0 H LEU A 47 -7.608 1.228 11.906 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.818 0.223 9.991 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.945 2.609 10.514 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.389 2.897 11.268 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.918 2.219 8.364 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.899 4.426 7.966 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.352 4.543 8.988 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.735 4.662 9.722 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.483 2.407 8.037 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.263 2.563 9.796 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.902 1.051 9.111 1.00 0.00 H new ATOM 755 N GLU A 48 -4.468 1.003 12.905 1.00 0.00 N ATOM 756 CA GLU A 48 -3.284 0.811 13.735 1.00 0.00 C ATOM 757 C GLU A 48 -3.180 -0.636 14.207 1.00 0.00 C ATOM 758 O GLU A 48 -2.099 -1.224 14.203 1.00 0.00 O ATOM 759 CB GLU A 48 -3.323 1.751 14.942 1.00 0.00 C ATOM 760 CG GLU A 48 -4.568 1.593 15.798 1.00 0.00 C ATOM 761 CD GLU A 48 -4.335 0.710 17.009 1.00 0.00 C ATOM 762 OE1 GLU A 48 -3.373 0.974 17.760 1.00 0.00 O ATOM 763 OE2 GLU A 48 -5.116 -0.245 17.205 1.00 0.00 O ATOM 0 H GLU A 48 -5.234 1.491 13.369 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.406 1.042 13.131 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.443 1.572 15.560 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.262 2.781 14.591 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.904 2.576 16.129 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.369 1.169 15.193 1.00 0.00 H new ATOM 770 N GLU A 49 -4.311 -1.203 14.614 1.00 0.00 N ATOM 771 CA GLU A 49 -4.346 -2.581 15.091 1.00 0.00 C ATOM 772 C GLU A 49 -3.834 -3.540 14.020 1.00 0.00 C ATOM 773 O GLU A 49 -3.315 -4.613 14.328 1.00 0.00 O ATOM 774 CB GLU A 49 -5.770 -2.967 15.498 1.00 0.00 C ATOM 775 CG GLU A 49 -5.883 -4.377 16.051 1.00 0.00 C ATOM 776 CD GLU A 49 -5.060 -4.579 17.308 1.00 0.00 C ATOM 777 OE1 GLU A 49 -5.149 -3.727 18.218 1.00 0.00 O ATOM 778 OE2 GLU A 49 -4.328 -5.588 17.384 1.00 0.00 O ATOM 0 H GLU A 49 -5.215 -0.730 14.623 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.694 -2.654 15.962 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.128 -2.262 16.248 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.425 -2.872 14.632 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.929 -4.596 16.267 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.559 -5.088 15.291 1.00 0.00 H new ATOM 785 N LYS A 50 -3.986 -3.146 12.760 1.00 0.00 N ATOM 786 CA LYS A 50 -3.539 -3.968 11.642 1.00 0.00 C ATOM 787 C LYS A 50 -2.072 -3.699 11.320 1.00 0.00 C ATOM 788 O LYS A 50 -1.303 -4.625 11.062 1.00 0.00 O ATOM 789 CB LYS A 50 -4.400 -3.697 10.406 1.00 0.00 C ATOM 790 CG LYS A 50 -3.896 -4.386 9.150 1.00 0.00 C ATOM 791 CD LYS A 50 -3.832 -5.894 9.328 1.00 0.00 C ATOM 792 CE LYS A 50 -4.212 -6.623 8.048 1.00 0.00 C ATOM 793 NZ LYS A 50 -4.765 -7.977 8.325 1.00 0.00 N ATOM 0 H LYS A 50 -4.416 -2.262 12.488 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.644 -5.014 11.929 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.420 -4.025 10.605 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.439 -2.622 10.230 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.552 -4.145 8.314 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.906 -4.006 8.898 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.825 -6.184 9.628 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.503 -6.195 10.132 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.948 -6.035 7.500 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.335 -6.713 7.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.012 -8.441 7.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.053 -8.547 8.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.617 -7.890 8.915 1.00 0.00 H new ATOM 807 N PHE A 51 -1.691 -2.426 11.340 1.00 0.00 N ATOM 808 CA PHE A 51 -0.316 -2.036 11.052 1.00 0.00 C ATOM 809 C PHE A 51 0.622 -2.479 12.171 1.00 0.00 C ATOM 810 O PHE A 51 1.841 -2.486 12.008 1.00 0.00 O ATOM 811 CB PHE A 51 -0.222 -0.520 10.862 1.00 0.00 C ATOM 812 CG PHE A 51 0.046 -0.109 9.443 1.00 0.00 C ATOM 813 CD1 PHE A 51 -0.626 -0.713 8.393 1.00 0.00 C ATOM 814 CD2 PHE A 51 0.972 0.882 9.159 1.00 0.00 C ATOM 815 CE1 PHE A 51 -0.382 -0.336 7.086 1.00 0.00 C ATOM 816 CE2 PHE A 51 1.221 1.263 7.854 1.00 0.00 C ATOM 817 CZ PHE A 51 0.544 0.652 6.816 1.00 0.00 C ATOM 0 H PHE A 51 -2.315 -1.647 11.553 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.011 -2.530 10.130 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.153 -0.062 11.195 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.571 -0.130 11.501 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.350 -1.488 8.598 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.505 1.362 9.966 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.915 -0.813 6.277 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.944 2.038 7.646 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.739 0.947 5.795 1.00 0.00 H new ATOM 827 N ASN A 52 0.043 -2.847 13.309 1.00 0.00 N ATOM 828 CA ASN A 52 0.826 -3.290 14.457 1.00 0.00 C ATOM 829 C ASN A 52 1.651 -2.141 15.028 1.00 0.00 C ATOM 830 O ASN A 52 2.868 -2.251 15.176 1.00 0.00 O ATOM 831 CB ASN A 52 1.746 -4.445 14.058 1.00 0.00 C ATOM 832 CG ASN A 52 2.271 -5.208 15.259 1.00 0.00 C ATOM 833 OD1 ASN A 52 2.133 -4.764 16.399 1.00 0.00 O ATOM 834 ND2 ASN A 52 2.877 -6.362 15.007 1.00 0.00 N ATOM 0 H ASN A 52 -0.966 -2.847 13.461 1.00 0.00 H new ATOM 0 HA ASN A 52 0.135 -3.635 15.226 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.204 -5.129 13.405 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.586 -4.055 13.483 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.251 -6.920 15.775 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.968 -6.691 14.046 1.00 0.00 H new ATOM 841 N VAL A 53 0.980 -1.040 15.349 1.00 0.00 N ATOM 842 CA VAL A 53 1.651 0.129 15.906 1.00 0.00 C ATOM 843 C VAL A 53 1.032 0.535 17.238 1.00 0.00 C ATOM 844 O VAL A 53 0.057 -0.065 17.692 1.00 0.00 O ATOM 845 CB VAL A 53 1.589 1.326 14.938 1.00 0.00 C ATOM 846 CG1 VAL A 53 2.884 1.442 14.148 1.00 0.00 C ATOM 847 CG2 VAL A 53 0.395 1.194 14.004 1.00 0.00 C ATOM 0 H VAL A 53 -0.028 -0.933 15.233 1.00 0.00 H new ATOM 0 HA VAL A 53 2.693 -0.149 16.063 1.00 0.00 H new ATOM 0 HB VAL A 53 1.465 2.238 15.522 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.821 2.293 13.470 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.718 1.586 14.835 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.042 0.530 13.572 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.366 2.048 13.327 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.486 0.275 13.425 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.524 1.165 14.590 1.00 0.00 H new ATOM 857 N THR A 54 1.605 1.559 17.864 1.00 0.00 N ATOM 858 CA THR A 54 1.110 2.045 19.145 1.00 0.00 C ATOM 859 C THR A 54 0.796 3.535 19.084 1.00 0.00 C ATOM 860 O THR A 54 1.638 4.371 19.412 1.00 0.00 O ATOM 861 CB THR A 54 2.129 1.793 20.273 1.00 0.00 C ATOM 862 OG1 THR A 54 2.458 0.401 20.334 1.00 0.00 O ATOM 863 CG2 THR A 54 1.575 2.248 21.615 1.00 0.00 C ATOM 0 H THR A 54 2.413 2.067 17.504 1.00 0.00 H new ATOM 0 HA THR A 54 0.196 1.492 19.360 1.00 0.00 H new ATOM 0 HB THR A 54 3.028 2.369 20.055 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.107 0.250 21.052 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.312 2.060 22.396 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.353 3.314 21.574 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.662 1.696 21.838 1.00 0.00 H new ATOM 871 N ILE A 55 -0.421 3.861 18.662 1.00 0.00 N ATOM 872 CA ILE A 55 -0.847 5.252 18.560 1.00 0.00 C ATOM 873 C ILE A 55 -2.205 5.461 19.221 1.00 0.00 C ATOM 874 O ILE A 55 -2.303 6.090 20.275 1.00 0.00 O ATOM 875 CB ILE A 55 -0.928 5.709 17.092 1.00 0.00 C ATOM 876 CG1 ILE A 55 -0.079 4.798 16.203 1.00 0.00 C ATOM 877 CG2 ILE A 55 -0.474 7.156 16.962 1.00 0.00 C ATOM 878 CD1 ILE A 55 -0.811 3.561 15.732 1.00 0.00 C ATOM 0 H ILE A 55 -1.129 3.181 18.385 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.098 5.850 19.078 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.965 5.642 16.763 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.259 5.363 15.334 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.812 4.496 16.753 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.537 7.465 15.919 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.116 7.795 17.569 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.556 7.246 17.306 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.149 2.962 15.107 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.125 2.973 16.595 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.688 3.855 15.154 1.00 0.00 H new ATOM 890 N SER A 56 -3.250 4.928 18.596 1.00 0.00 N ATOM 891 CA SER A 56 -4.603 5.058 19.123 1.00 0.00 C ATOM 892 C SER A 56 -5.012 6.525 19.215 1.00 0.00 C ATOM 893 O SER A 56 -5.608 7.074 18.289 1.00 0.00 O ATOM 894 CB SER A 56 -4.702 4.401 20.501 1.00 0.00 C ATOM 895 OG SER A 56 -5.925 4.732 21.137 1.00 0.00 O ATOM 0 H SER A 56 -3.185 4.402 17.724 1.00 0.00 H new ATOM 0 HA SER A 56 -5.283 4.552 18.438 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.623 3.319 20.398 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.866 4.724 21.122 1.00 0.00 H new ATOM 0 HG SER A 56 -5.965 4.299 22.015 1.00 0.00 H new ATOM 901 N ASP A 57 -4.687 7.153 20.340 1.00 0.00 N ATOM 902 CA ASP A 57 -5.019 8.557 20.555 1.00 0.00 C ATOM 903 C ASP A 57 -4.468 9.424 19.427 1.00 0.00 C ATOM 904 O ASP A 57 -5.224 10.083 18.714 1.00 0.00 O ATOM 905 CB ASP A 57 -4.465 9.034 21.898 1.00 0.00 C ATOM 906 CG ASP A 57 -5.083 10.344 22.346 1.00 0.00 C ATOM 907 OD1 ASP A 57 -4.758 11.390 21.746 1.00 0.00 O ATOM 908 OD2 ASP A 57 -5.892 10.323 23.297 1.00 0.00 O ATOM 0 H ASP A 57 -4.194 6.712 21.117 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.105 8.651 20.565 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.648 8.271 22.655 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.384 9.153 21.820 1.00 0.00 H new ATOM 913 N GLN A 58 -3.148 9.418 19.273 1.00 0.00 N ATOM 914 CA GLN A 58 -2.497 10.205 18.233 1.00 0.00 C ATOM 915 C GLN A 58 -2.986 9.790 16.849 1.00 0.00 C ATOM 916 O GLN A 58 -2.827 10.528 15.876 1.00 0.00 O ATOM 917 CB GLN A 58 -0.978 10.047 18.319 1.00 0.00 C ATOM 918 CG GLN A 58 -0.313 11.052 19.245 1.00 0.00 C ATOM 919 CD GLN A 58 -0.659 12.486 18.895 1.00 0.00 C ATOM 920 OE1 GLN A 58 -0.054 13.083 18.004 1.00 0.00 O ATOM 921 NE2 GLN A 58 -1.637 13.047 19.596 1.00 0.00 N ATOM 0 H GLN A 58 -2.509 8.877 19.855 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.755 11.252 18.390 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.745 9.039 18.663 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.553 10.149 17.320 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.616 10.850 20.272 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.768 10.922 19.200 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.111 12.515 20.326 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.914 14.010 19.405 1.00 0.00 H new ATOM 930 N ASP A 59 -3.581 8.605 16.768 1.00 0.00 N ATOM 931 CA ASP A 59 -4.094 8.091 15.504 1.00 0.00 C ATOM 932 C ASP A 59 -5.515 8.586 15.252 1.00 0.00 C ATOM 933 O ASP A 59 -6.128 8.254 14.239 1.00 0.00 O ATOM 934 CB ASP A 59 -4.065 6.562 15.500 1.00 0.00 C ATOM 935 CG ASP A 59 -3.022 6.005 14.552 1.00 0.00 C ATOM 936 OD1 ASP A 59 -1.913 6.575 14.489 1.00 0.00 O ATOM 937 OD2 ASP A 59 -3.315 4.998 13.872 1.00 0.00 O ATOM 0 H ASP A 59 -3.720 7.982 17.564 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.453 8.460 14.704 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.863 6.203 16.509 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.047 6.184 15.217 1.00 0.00 H new ATOM 942 N ALA A 60 -6.032 9.382 16.183 1.00 0.00 N ATOM 943 CA ALA A 60 -7.380 9.924 16.062 1.00 0.00 C ATOM 944 C ALA A 60 -7.348 11.383 15.619 1.00 0.00 C ATOM 945 O ALA A 60 -8.318 11.893 15.058 1.00 0.00 O ATOM 946 CB ALA A 60 -8.124 9.787 17.382 1.00 0.00 C ATOM 0 H ALA A 60 -5.538 9.666 17.029 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.908 9.352 15.299 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.129 10.196 17.277 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.187 8.734 17.656 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.589 10.333 18.159 1.00 0.00 H new ATOM 952 N LEU A 61 -6.228 12.049 15.876 1.00 0.00 N ATOM 953 CA LEU A 61 -6.069 13.451 15.504 1.00 0.00 C ATOM 954 C LEU A 61 -4.846 13.643 14.613 1.00 0.00 C ATOM 955 O LEU A 61 -3.979 14.468 14.900 1.00 0.00 O ATOM 956 CB LEU A 61 -5.944 14.320 16.757 1.00 0.00 C ATOM 957 CG LEU A 61 -5.004 13.797 17.844 1.00 0.00 C ATOM 958 CD1 LEU A 61 -4.269 14.949 18.513 1.00 0.00 C ATOM 959 CD2 LEU A 61 -5.778 12.987 18.874 1.00 0.00 C ATOM 0 H LEU A 61 -5.416 11.641 16.340 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.954 13.756 14.945 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.603 15.311 16.456 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.936 14.442 17.191 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.267 13.144 17.377 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.605 14.558 19.284 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.683 15.488 17.768 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.992 15.627 18.967 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.093 12.623 19.640 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.538 13.617 19.337 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.258 12.140 18.384 1.00 0.00 H new ATOM 971 N LYS A 62 -4.784 12.877 13.529 1.00 0.00 N ATOM 972 CA LYS A 62 -3.670 12.965 12.593 1.00 0.00 C ATOM 973 C LYS A 62 -4.098 12.529 11.195 1.00 0.00 C ATOM 974 O LYS A 62 -4.031 13.309 10.244 1.00 0.00 O ATOM 975 CB LYS A 62 -2.504 12.098 13.074 1.00 0.00 C ATOM 976 CG LYS A 62 -1.416 12.883 13.785 1.00 0.00 C ATOM 977 CD LYS A 62 -0.101 12.121 13.806 1.00 0.00 C ATOM 978 CE LYS A 62 0.091 11.376 15.118 1.00 0.00 C ATOM 979 NZ LYS A 62 1.467 10.819 15.243 1.00 0.00 N ATOM 0 H LYS A 62 -5.493 12.188 13.277 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.347 14.005 12.547 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.886 11.331 13.748 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.068 11.582 12.218 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.274 13.842 13.287 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.730 13.098 14.807 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.076 11.413 12.978 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.726 12.816 13.657 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.105 12.051 15.951 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.636 10.567 15.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.558 10.319 16.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.645 10.155 14.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.160 11.594 15.204 1.00 0.00 H new ATOM 993 N ILE A 63 -4.539 11.281 11.078 1.00 0.00 N ATOM 994 CA ILE A 63 -4.981 10.744 9.797 1.00 0.00 C ATOM 995 C ILE A 63 -5.990 11.673 9.130 1.00 0.00 C ATOM 996 O ILE A 63 -6.160 11.648 7.912 1.00 0.00 O ATOM 997 CB ILE A 63 -5.614 9.349 9.960 1.00 0.00 C ATOM 998 CG1 ILE A 63 -4.541 8.316 10.310 1.00 0.00 C ATOM 999 CG2 ILE A 63 -6.346 8.949 8.688 1.00 0.00 C ATOM 1000 CD1 ILE A 63 -4.265 8.211 11.794 1.00 0.00 C ATOM 0 H ILE A 63 -4.600 10.623 11.855 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.095 10.661 9.167 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.336 9.386 10.776 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.852 7.340 9.936 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.616 8.575 9.794 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.788 7.961 8.818 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.132 9.674 8.478 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.643 8.925 7.856 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.494 7.460 11.969 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.924 9.176 12.170 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.178 7.922 12.314 1.00 0.00 H new ATOM 1012 N ASN A 64 -6.654 12.493 9.937 1.00 0.00 N ATOM 1013 CA ASN A 64 -7.646 13.433 9.425 1.00 0.00 C ATOM 1014 C ASN A 64 -7.140 14.122 8.162 1.00 0.00 C ATOM 1015 O ASN A 64 -7.903 14.369 7.227 1.00 0.00 O ATOM 1016 CB ASN A 64 -7.985 14.478 10.489 1.00 0.00 C ATOM 1017 CG ASN A 64 -6.811 14.780 11.400 1.00 0.00 C ATOM 1018 OD1 ASN A 64 -6.819 14.426 12.579 1.00 0.00 O ATOM 1019 ND2 ASN A 64 -5.793 15.436 10.855 1.00 0.00 N ATOM 0 H ASN A 64 -6.524 12.526 10.948 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.547 12.873 9.176 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.308 15.397 10.001 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.824 14.123 11.088 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.974 15.666 11.418 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.830 15.710 9.873 1.00 0.00 H new ATOM 1026 N THR A 65 -5.847 14.431 8.139 1.00 0.00 N ATOM 1027 CA THR A 65 -5.239 15.092 6.992 1.00 0.00 C ATOM 1028 C THR A 65 -4.420 14.109 6.161 1.00 0.00 C ATOM 1029 O THR A 65 -3.502 13.466 6.669 1.00 0.00 O ATOM 1030 CB THR A 65 -4.331 16.256 7.431 1.00 0.00 C ATOM 1031 OG1 THR A 65 -3.297 15.772 8.296 1.00 0.00 O ATOM 1032 CG2 THR A 65 -5.136 17.331 8.145 1.00 0.00 C ATOM 0 H THR A 65 -5.201 14.233 8.903 1.00 0.00 H new ATOM 0 HA THR A 65 -6.054 15.486 6.385 1.00 0.00 H new ATOM 0 HB THR A 65 -3.882 16.694 6.539 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.823 16.531 8.695 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.473 18.143 8.446 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.902 17.718 7.473 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.610 16.904 9.029 1.00 0.00 H new ATOM 1040 N VAL A 66 -4.759 13.999 4.881 1.00 0.00 N ATOM 1041 CA VAL A 66 -4.054 13.096 3.979 1.00 0.00 C ATOM 1042 C VAL A 66 -2.544 13.264 4.103 1.00 0.00 C ATOM 1043 O VAL A 66 -1.787 12.313 3.908 1.00 0.00 O ATOM 1044 CB VAL A 66 -4.467 13.331 2.514 1.00 0.00 C ATOM 1045 CG1 VAL A 66 -3.609 12.495 1.576 1.00 0.00 C ATOM 1046 CG2 VAL A 66 -5.943 13.019 2.320 1.00 0.00 C ATOM 0 H VAL A 66 -5.517 14.524 4.445 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.329 12.082 4.268 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.307 14.382 2.274 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.916 12.674 0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.562 12.772 1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.734 11.438 1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.217 13.191 1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.132 11.977 2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.539 13.666 2.964 1.00 0.00 H new ATOM 1056 N GLN A 67 -2.113 14.478 4.428 1.00 0.00 N ATOM 1057 CA GLN A 67 -0.693 14.770 4.578 1.00 0.00 C ATOM 1058 C GLN A 67 -0.123 14.081 5.814 1.00 0.00 C ATOM 1059 O GLN A 67 0.891 13.388 5.738 1.00 0.00 O ATOM 1060 CB GLN A 67 -0.468 16.280 4.672 1.00 0.00 C ATOM 1061 CG GLN A 67 0.763 16.760 3.920 1.00 0.00 C ATOM 1062 CD GLN A 67 2.053 16.443 4.648 1.00 0.00 C ATOM 1063 OE1 GLN A 67 2.552 17.251 5.432 1.00 0.00 O ATOM 1064 NE2 GLN A 67 2.602 15.260 4.394 1.00 0.00 N ATOM 0 H GLN A 67 -2.727 15.276 4.593 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.174 14.387 3.699 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.346 16.795 4.281 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.375 16.560 5.721 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.784 16.297 2.933 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.693 17.837 3.766 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.155 14.621 3.737 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.471 14.991 4.856 1.00 0.00 H new ATOM 1073 N ASP A 68 -0.782 14.278 6.951 1.00 0.00 N ATOM 1074 CA ASP A 68 -0.341 13.674 8.204 1.00 0.00 C ATOM 1075 C ASP A 68 -0.551 12.164 8.183 1.00 0.00 C ATOM 1076 O ASP A 68 0.211 11.413 8.792 1.00 0.00 O ATOM 1077 CB ASP A 68 -1.095 14.290 9.383 1.00 0.00 C ATOM 1078 CG ASP A 68 -0.518 13.871 10.721 1.00 0.00 C ATOM 1079 OD1 ASP A 68 -0.443 12.651 10.979 1.00 0.00 O ATOM 1080 OD2 ASP A 68 -0.141 14.762 11.510 1.00 0.00 O ATOM 0 H ASP A 68 -1.622 14.850 7.031 1.00 0.00 H new ATOM 0 HA ASP A 68 0.725 13.872 8.320 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.065 15.377 9.302 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.143 13.995 9.334 1.00 0.00 H new ATOM 1085 N ALA A 69 -1.589 11.725 7.478 1.00 0.00 N ATOM 1086 CA ALA A 69 -1.898 10.304 7.377 1.00 0.00 C ATOM 1087 C ALA A 69 -0.743 9.535 6.745 1.00 0.00 C ATOM 1088 O ALA A 69 -0.148 8.661 7.376 1.00 0.00 O ATOM 1089 CB ALA A 69 -3.174 10.098 6.575 1.00 0.00 C ATOM 0 H ALA A 69 -2.230 12.333 6.968 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.049 9.917 8.385 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.393 9.032 6.507 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.001 10.608 7.069 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.044 10.506 5.573 1.00 0.00 H new ATOM 1095 N ILE A 70 -0.432 9.865 5.496 1.00 0.00 N ATOM 1096 CA ILE A 70 0.653 9.205 4.779 1.00 0.00 C ATOM 1097 C ILE A 70 1.971 9.337 5.534 1.00 0.00 C ATOM 1098 O ILE A 70 2.821 8.447 5.480 1.00 0.00 O ATOM 1099 CB ILE A 70 0.825 9.783 3.363 1.00 0.00 C ATOM 1100 CG1 ILE A 70 1.141 11.278 3.433 1.00 0.00 C ATOM 1101 CG2 ILE A 70 -0.428 9.539 2.535 1.00 0.00 C ATOM 1102 CD1 ILE A 70 2.622 11.582 3.486 1.00 0.00 C ATOM 0 H ILE A 70 -0.916 10.585 4.959 1.00 0.00 H new ATOM 0 HA ILE A 70 0.385 8.151 4.702 1.00 0.00 H new ATOM 0 HB ILE A 70 1.661 9.277 2.880 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.708 11.774 2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.660 11.702 4.314 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.291 9.954 1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.612 8.467 2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.280 10.021 3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.770 12.661 3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.058 11.116 4.370 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.106 11.189 2.592 1.00 0.00 H new ATOM 1114 N ASP A 71 2.134 10.451 6.239 1.00 0.00 N ATOM 1115 CA ASP A 71 3.348 10.699 7.008 1.00 0.00 C ATOM 1116 C ASP A 71 3.349 9.885 8.298 1.00 0.00 C ATOM 1117 O ASP A 71 4.406 9.599 8.862 1.00 0.00 O ATOM 1118 CB ASP A 71 3.478 12.189 7.329 1.00 0.00 C ATOM 1119 CG ASP A 71 4.881 12.567 7.761 1.00 0.00 C ATOM 1120 OD1 ASP A 71 5.259 12.240 8.905 1.00 0.00 O ATOM 1121 OD2 ASP A 71 5.601 13.191 6.953 1.00 0.00 O ATOM 0 H ASP A 71 1.440 11.197 6.294 1.00 0.00 H new ATOM 0 HA ASP A 71 4.201 10.390 6.404 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.202 12.772 6.451 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.775 12.450 8.120 1.00 0.00 H new ATOM 1126 N TYR A 72 2.160 9.517 8.760 1.00 0.00 N ATOM 1127 CA TYR A 72 2.024 8.739 9.986 1.00 0.00 C ATOM 1128 C TYR A 72 2.363 7.272 9.741 1.00 0.00 C ATOM 1129 O TYR A 72 2.855 6.579 10.632 1.00 0.00 O ATOM 1130 CB TYR A 72 0.602 8.860 10.537 1.00 0.00 C ATOM 1131 CG TYR A 72 -0.047 7.528 10.837 1.00 0.00 C ATOM 1132 CD1 TYR A 72 0.309 6.797 11.963 1.00 0.00 C ATOM 1133 CD2 TYR A 72 -1.018 7.001 9.994 1.00 0.00 C ATOM 1134 CE1 TYR A 72 -0.281 5.579 12.241 1.00 0.00 C ATOM 1135 CE2 TYR A 72 -1.614 5.785 10.264 1.00 0.00 C ATOM 1136 CZ TYR A 72 -1.242 5.077 11.388 1.00 0.00 C ATOM 1137 OH TYR A 72 -1.833 3.865 11.662 1.00 0.00 O ATOM 0 H TYR A 72 1.276 9.745 8.305 1.00 0.00 H new ATOM 0 HA TYR A 72 2.726 9.138 10.719 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.624 9.457 11.449 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.013 9.400 9.817 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.060 7.188 12.633 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.311 7.552 9.113 1.00 0.00 H new ATOM 0 HE1 TYR A 72 0.008 5.023 13.121 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.368 5.390 9.599 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.435 3.961 12.429 1.00 0.00 H new ATOM 1147 N ILE A 73 2.096 6.805 8.526 1.00 0.00 N ATOM 1148 CA ILE A 73 2.373 5.421 8.161 1.00 0.00 C ATOM 1149 C ILE A 73 3.806 5.261 7.664 1.00 0.00 C ATOM 1150 O ILE A 73 4.391 4.183 7.766 1.00 0.00 O ATOM 1151 CB ILE A 73 1.405 4.920 7.074 1.00 0.00 C ATOM 1152 CG1 ILE A 73 1.678 5.635 5.749 1.00 0.00 C ATOM 1153 CG2 ILE A 73 -0.037 5.133 7.510 1.00 0.00 C ATOM 1154 CD1 ILE A 73 0.945 5.028 4.573 1.00 0.00 C ATOM 0 H ILE A 73 1.688 7.365 7.777 1.00 0.00 H new ATOM 0 HA ILE A 73 2.234 4.823 9.062 1.00 0.00 H new ATOM 0 HB ILE A 73 1.566 3.852 6.929 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.391 6.682 5.845 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.749 5.615 5.549 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.709 4.774 6.731 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.223 4.583 8.432 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.213 6.195 7.680 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.185 5.585 3.668 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.250 3.989 4.451 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.129 5.072 4.752 1.00 0.00 H new ATOM 1166 N GLU A 74 4.365 6.341 7.127 1.00 0.00 N ATOM 1167 CA GLU A 74 5.730 6.319 6.614 1.00 0.00 C ATOM 1168 C GLU A 74 6.738 6.505 7.744 1.00 0.00 C ATOM 1169 O GLU A 74 7.861 6.004 7.679 1.00 0.00 O ATOM 1170 CB GLU A 74 5.920 7.412 5.561 1.00 0.00 C ATOM 1171 CG GLU A 74 5.194 7.133 4.256 1.00 0.00 C ATOM 1172 CD GLU A 74 6.144 6.942 3.090 1.00 0.00 C ATOM 1173 OE1 GLU A 74 6.503 7.949 2.444 1.00 0.00 O ATOM 1174 OE2 GLU A 74 6.529 5.784 2.823 1.00 0.00 O ATOM 0 H GLU A 74 3.894 7.241 7.036 1.00 0.00 H new ATOM 0 HA GLU A 74 5.902 5.347 6.153 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.569 8.361 5.967 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.985 7.527 5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.580 6.240 4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.517 7.959 4.037 1.00 0.00 H new ATOM 1181 N LYS A 75 6.330 7.229 8.781 1.00 0.00 N ATOM 1182 CA LYS A 75 7.195 7.482 9.927 1.00 0.00 C ATOM 1183 C LYS A 75 7.165 6.308 10.900 1.00 0.00 C ATOM 1184 O LYS A 75 8.187 5.947 11.482 1.00 0.00 O ATOM 1185 CB LYS A 75 6.765 8.764 10.643 1.00 0.00 C ATOM 1186 CG LYS A 75 5.449 8.631 11.390 1.00 0.00 C ATOM 1187 CD LYS A 75 4.902 9.988 11.800 1.00 0.00 C ATOM 1188 CE LYS A 75 5.858 10.717 12.731 1.00 0.00 C ATOM 1189 NZ LYS A 75 5.216 11.899 13.371 1.00 0.00 N ATOM 0 H LYS A 75 5.404 7.651 8.851 1.00 0.00 H new ATOM 0 HA LYS A 75 8.215 7.602 9.562 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.545 9.056 11.346 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.678 9.567 9.911 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.722 8.120 10.760 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.593 8.013 12.276 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.726 10.594 10.911 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.939 9.859 12.294 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.207 10.031 13.503 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.736 11.039 12.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.900 12.369 13.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.905 12.566 12.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.393 11.589 13.927 1.00 0.00 H new ATOM 1203 N ASN A 76 5.988 5.717 11.071 1.00 0.00 N ATOM 1204 CA ASN A 76 5.826 4.583 11.974 1.00 0.00 C ATOM 1205 C ASN A 76 6.202 3.277 11.281 1.00 0.00 C ATOM 1206 O ASN A 76 7.265 2.711 11.535 1.00 0.00 O ATOM 1207 CB ASN A 76 4.383 4.508 12.478 1.00 0.00 C ATOM 1208 CG ASN A 76 4.108 5.499 13.593 1.00 0.00 C ATOM 1209 OD1 ASN A 76 4.202 5.163 14.774 1.00 0.00 O ATOM 1210 ND2 ASN A 76 3.765 6.727 13.221 1.00 0.00 N ATOM 0 H ASN A 76 5.132 6.004 10.596 1.00 0.00 H new ATOM 0 HA ASN A 76 6.494 4.729 12.823 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.701 4.699 11.649 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.177 3.498 12.834 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.567 7.437 13.926 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.700 6.960 12.230 1.00 0.00 H new ATOM 1217 N ASN A 77 5.324 2.805 10.402 1.00 0.00 N ATOM 1218 CA ASN A 77 5.564 1.566 9.672 1.00 0.00 C ATOM 1219 C ASN A 77 6.432 1.819 8.443 1.00 0.00 C ATOM 1220 O ASN A 77 5.926 2.127 7.364 1.00 0.00 O ATOM 1221 CB ASN A 77 4.237 0.932 9.251 1.00 0.00 C ATOM 1222 CG ASN A 77 3.775 -0.141 10.218 1.00 0.00 C ATOM 1223 OD1 ASN A 77 3.213 0.281 11.345 1.00 0.00 O flip ATOM 1224 ND2 ASN A 77 3.923 -1.334 9.956 1.00 0.00 N flip ATOM 0 H ASN A 77 4.440 3.262 10.178 1.00 0.00 H new ATOM 0 HA ASN A 77 6.093 0.880 10.334 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.474 1.707 9.181 1.00 0.00 H new ATOM 0 HB3 ASN A 77 4.344 0.499 8.256 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.360 -1.613 9.078 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.608 -2.044 10.617 1.00 0.00 H new ATOM 1231 N LYS A 78 7.743 1.685 8.613 1.00 0.00 N ATOM 1232 CA LYS A 78 8.683 1.897 7.519 1.00 0.00 C ATOM 1233 C LYS A 78 8.944 0.596 6.766 1.00 0.00 C ATOM 1234 O LYS A 78 9.906 -0.115 7.054 1.00 0.00 O ATOM 1235 CB LYS A 78 10.001 2.462 8.054 1.00 0.00 C ATOM 1236 CG LYS A 78 10.076 3.978 8.010 1.00 0.00 C ATOM 1237 CD LYS A 78 11.374 4.490 8.610 1.00 0.00 C ATOM 1238 CE LYS A 78 12.464 4.616 7.557 1.00 0.00 C ATOM 1239 NZ LYS A 78 12.592 6.012 7.056 1.00 0.00 N ATOM 0 H LYS A 78 8.179 1.430 9.499 1.00 0.00 H new ATOM 0 HA LYS A 78 8.241 2.614 6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.138 2.130 9.083 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.826 2.049 7.473 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.993 4.317 6.978 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.231 4.401 8.554 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.203 5.461 9.076 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.704 3.812 9.397 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.416 4.293 7.979 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.242 3.950 6.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.345 6.056 6.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.692 6.312 6.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.829 6.644 7.847 1.00 0.00 H new ATOM 1253 N GLN A 79 8.081 0.293 5.801 1.00 0.00 N ATOM 1254 CA GLN A 79 8.220 -0.922 5.007 1.00 0.00 C ATOM 1255 C GLN A 79 8.159 -0.607 3.516 1.00 0.00 C ATOM 1256 O GLN A 79 8.202 -1.509 2.678 1.00 0.00 O ATOM 1257 CB GLN A 79 7.124 -1.924 5.374 1.00 0.00 C ATOM 1258 CG GLN A 79 5.752 -1.550 4.837 1.00 0.00 C ATOM 1259 CD GLN A 79 4.663 -1.668 5.884 1.00 0.00 C ATOM 1260 OE1 GLN A 79 4.675 -2.583 6.709 1.00 0.00 O ATOM 1261 NE2 GLN A 79 3.712 -0.742 5.857 1.00 0.00 N ATOM 0 H GLN A 79 7.279 0.872 5.551 1.00 0.00 H new ATOM 0 HA GLN A 79 9.193 -1.361 5.228 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.399 -2.907 4.991 1.00 0.00 H new ATOM 0 HB3 GLN A 79 7.069 -2.008 6.459 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.780 -0.527 4.461 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.509 -2.194 3.992 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.741 -0.002 5.156 1.00 0.00 H new ATOM 0 HE22 GLN A 79 2.952 -0.771 6.537 1.00 0.00 H new TER 1270 GLN A 79 HETATM 1271 P24 PNS A 137 -18.826 10.928 19.346 1.00 0.00 P HETATM 1272 O25 PNS A 137 -19.505 9.870 20.358 1.00 0.00 O HETATM 1273 O26 PNS A 137 -17.955 11.902 20.038 1.00 0.00 O HETATM 1274 O27 PNS A 137 -20.048 11.604 18.542 1.00 0.00 O HETATM 1275 C28 PNS A 137 -19.954 12.918 17.983 1.00 0.00 C HETATM 1276 C29 PNS A 137 -21.109 13.268 17.021 1.00 0.00 C HETATM 1277 C30 PNS A 137 -22.449 13.014 17.737 1.00 0.00 C HETATM 1278 C31 PNS A 137 -20.998 12.335 15.796 1.00 0.00 C HETATM 1279 C32 PNS A 137 -20.931 14.747 16.604 1.00 0.00 C HETATM 1280 O33 PNS A 137 -21.057 15.619 17.734 1.00 0.00 O HETATM 1281 C34 PNS A 137 -21.902 15.270 15.515 1.00 0.00 C HETATM 1282 O35 PNS A 137 -23.005 14.750 15.324 1.00 0.00 O HETATM 1283 N36 PNS A 137 -21.537 16.325 14.775 1.00 0.00 N HETATM 1284 C37 PNS A 137 -20.281 17.090 14.901 1.00 0.00 C HETATM 1285 C38 PNS A 137 -20.429 18.410 14.138 1.00 0.00 C HETATM 1286 C39 PNS A 137 -19.259 19.371 14.441 1.00 0.00 C HETATM 1287 O40 PNS A 137 -19.197 19.891 15.556 1.00 0.00 O HETATM 1288 N41 PNS A 137 -18.340 19.611 13.496 1.00 0.00 N HETATM 1289 C42 PNS A 137 -18.301 19.068 12.122 1.00 0.00 C HETATM 1290 C43 PNS A 137 -17.042 19.555 11.404 1.00 0.00 C HETATM 1291 S44 PNS A 137 -16.975 21.374 11.188 1.00 0.00 S HETATM 0 H432 PNS A 137 -16.166 19.232 11.966 1.00 0.00 H new HETATM 0 H431 PNS A 137 -16.986 19.079 10.425 1.00 0.00 H new HETATM 0 H422 PNS A 137 -19.188 19.383 11.572 1.00 0.00 H new HETATM 0 H421 PNS A 137 -18.314 17.978 12.152 1.00 0.00 H new HETATM 0 H382 PNS A 137 -21.372 18.885 14.410 1.00 0.00 H new HETATM 0 H381 PNS A 137 -20.470 18.210 13.067 1.00 0.00 H new HETATM 0 H372 PNS A 137 -19.446 16.514 14.501 1.00 0.00 H new HETATM 0 H371 PNS A 137 -20.061 17.283 15.951 1.00 0.00 H new HETATM 0 H313 PNS A 137 -21.802 12.558 15.095 1.00 0.00 H new HETATM 0 H312 PNS A 137 -21.076 11.297 16.121 1.00 0.00 H new HETATM 0 H311 PNS A 137 -20.037 12.490 15.306 1.00 0.00 H new HETATM 0 H303 PNS A 137 -23.272 13.258 17.066 1.00 0.00 H new HETATM 0 H302 PNS A 137 -22.510 13.639 18.628 1.00 0.00 H new HETATM 0 H301 PNS A 137 -22.515 11.965 18.025 1.00 0.00 H new HETATM 0 H282 PNS A 137 -19.008 13.009 17.449 1.00 0.00 H new HETATM 0 H281 PNS A 137 -19.934 13.647 18.793 1.00 0.00 H new HETATM 0 H44 PNS A 137 -15.876 21.698 10.574 1.00 0.00 H new HETATM 0 H41 PNS A 137 -17.580 20.241 13.754 1.00 0.00 H new HETATM 0 H36 PNS A 137 -22.191 16.630 14.054 1.00 0.00 H new HETATM 0 H33 PNS A 137 -21.950 16.023 17.738 1.00 0.00 H new HETATM 0 H32 PNS A 137 -19.929 14.759 16.175 1.00 0.00 H new