USER MOD reduce.3.24.130724 H: found=0, std=0, add=1042, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1048 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 70 GLN : amide:sc= -0.226 K(o=0.63,f=-5.7!) USER MOD Set 1.2: B 83 LYS NZ :NH3+ 176:sc= 0.859 (180deg=-0.101) USER MOD Set 2.1: B 39 SER OG : rot -105:sc= 0.0858 USER MOD Set 2.2: B 40 SER OG : rot 180:sc= 0.0397 USER MOD Set 3.1: A 83 LYS NZ :NH3+ 175:sc= 0.906 (180deg=-0.0915) USER MOD Set 3.2: B 70 GLN : amide:sc= -0.154 K(o=0.75,f=-5.8!) USER MOD Set 4.1: A 39 SER OG : rot 180:sc= 0.154 USER MOD Set 4.2: A 40 SER OG : rot 180:sc= 0.0444 USER MOD Single : A 15 MET CE :methyl 161:sc= -0.113 (180deg=-0.665) USER MOD Single : A 17 ASN : amide:sc= 0.65 K(o=0.65,f=-6.5!) USER MOD Single : A 18 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.118) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 0:sc= 0.195 USER MOD Single : A 27 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.69) USER MOD Single : A 30 HIS : no HE2:sc= 1.23 K(o=1.2,f=-4.2!) USER MOD Single : A 32 GLN : amide:sc= -0.781 K(o=-0.78,f=-0.0089) USER MOD Single : A 35 HIS : no HD1:sc= -0.0214 X(o=-0.021,f=-0.021) USER MOD Single : A 43 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.61) USER MOD Single : A 45 SER OG : rot 69:sc= 1.2 USER MOD Single : A 51 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.16) USER MOD Single : A 52 CYS SG : rot 75:sc= 0.842 USER MOD Single : A 55 THR OG1 : rot 78:sc= 0.252 USER MOD Single : A 60 THR OG1 : rot 173:sc= 1.04 USER MOD Single : A 64 SER OG : rot -34:sc= 0.047 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0347 USER MOD Single : A 81 THR OG1 : rot -118:sc= 1.24 USER MOD Single : B 15 MET CE :methyl 160:sc= -0.124 (180deg=-0.643) USER MOD Single : B 17 ASN : amide:sc= 0.642 K(o=0.64,f=-6.5!) USER MOD Single : B 18 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.113) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 TYR OH : rot 0:sc= 0.181 USER MOD Single : B 27 GLN : amide:sc= -0.222 K(o=-0.22,f=-0.77) USER MOD Single : B 30 HIS : no HE2:sc= 1.08 K(o=1.1,f=-4.2!) USER MOD Single : B 32 GLN : amide:sc= -0.8 K(o=-0.8,f=-0.0096) USER MOD Single : B 35 HIS : no HD1:sc= -0.0178 X(o=-0.018,f=-0.018) USER MOD Single : B 43 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.59) USER MOD Single : B 45 SER OG : rot 75:sc= 1.19 USER MOD Single : B 51 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.17) USER MOD Single : B 52 CYS SG : rot 74:sc= 0.819 USER MOD Single : B 55 THR OG1 : rot 79:sc= 0.244 USER MOD Single : B 60 THR OG1 : rot 173:sc= 1 USER MOD Single : B 64 SER OG : rot -29:sc= 0.0225 USER MOD Single : B 71 THR OG1 : rot 180:sc= 0.0297 USER MOD Single : B 81 THR OG1 : rot -109:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 16.177 8.085 -5.645 1.00 2.26 N ATOM 2 CA MET A 15 15.858 7.225 -4.485 1.00 1.69 C ATOM 3 C MET A 15 14.468 6.636 -4.639 1.00 1.42 C ATOM 4 O MET A 15 13.519 7.345 -4.978 1.00 1.57 O ATOM 5 CB MET A 15 15.933 8.025 -3.179 1.00 1.82 C ATOM 6 CG MET A 15 17.333 8.503 -2.828 1.00 2.22 C ATOM 7 SD MET A 15 17.386 9.445 -1.290 1.00 3.04 S ATOM 8 CE MET A 15 16.820 8.218 -0.113 1.00 3.68 C ATOM 0 HA MET A 15 16.592 6.420 -4.447 1.00 1.69 H new ATOM 0 HB2 MET A 15 15.273 8.889 -3.256 1.00 1.82 H new ATOM 0 HB3 MET A 15 15.556 7.407 -2.364 1.00 1.82 H new ATOM 0 HG2 MET A 15 17.996 7.642 -2.744 1.00 2.22 H new ATOM 0 HG3 MET A 15 17.715 9.121 -3.640 1.00 2.22 H new ATOM 0 HE1 MET A 15 17.110 8.518 0.894 1.00 3.68 H new ATOM 0 HE2 MET A 15 15.735 8.135 -0.168 1.00 3.68 H new ATOM 0 HE3 MET A 15 17.270 7.254 -0.348 1.00 3.68 H new ATOM 20 N ASP A 16 14.353 5.339 -4.393 1.00 1.26 N ATOM 21 CA ASP A 16 13.073 4.654 -4.512 1.00 1.13 C ATOM 22 C ASP A 16 12.204 4.949 -3.304 1.00 0.92 C ATOM 23 O ASP A 16 12.443 4.433 -2.218 1.00 1.01 O ATOM 24 CB ASP A 16 13.262 3.138 -4.640 1.00 1.39 C ATOM 25 CG ASP A 16 13.935 2.733 -5.934 1.00 1.84 C ATOM 26 OD1 ASP A 16 13.244 2.648 -6.973 1.00 2.40 O ATOM 27 OD2 ASP A 16 15.161 2.489 -5.916 1.00 2.28 O ATOM 0 H ASP A 16 15.129 4.740 -4.110 1.00 1.26 H new ATOM 0 HA ASP A 16 12.585 5.022 -5.415 1.00 1.13 H new ATOM 0 HB2 ASP A 16 13.857 2.779 -3.800 1.00 1.39 H new ATOM 0 HB3 ASP A 16 12.290 2.649 -4.574 1.00 1.39 H new ATOM 32 N ASN A 17 11.196 5.783 -3.489 1.00 0.78 N ATOM 33 CA ASN A 17 10.251 6.064 -2.420 1.00 0.74 C ATOM 34 C ASN A 17 9.287 4.894 -2.269 1.00 0.61 C ATOM 35 O ASN A 17 8.587 4.767 -1.269 1.00 0.65 O ATOM 36 CB ASN A 17 9.483 7.358 -2.701 1.00 0.92 C ATOM 37 CG ASN A 17 8.622 7.789 -1.529 1.00 1.56 C ATOM 38 OD1 ASN A 17 9.094 8.471 -0.621 1.00 2.52 O ATOM 39 ND2 ASN A 17 7.359 7.404 -1.541 1.00 1.71 N ATOM 0 H ASN A 17 11.010 6.275 -4.363 1.00 0.78 H new ATOM 0 HA ASN A 17 10.802 6.196 -1.489 1.00 0.74 H new ATOM 0 HB2 ASN A 17 10.191 8.152 -2.939 1.00 0.92 H new ATOM 0 HB3 ASN A 17 8.852 7.219 -3.579 1.00 0.92 H new ATOM 0 HD21 ASN A 17 6.737 7.672 -0.778 1.00 1.71 H new ATOM 0 HD22 ASN A 17 7.006 6.839 -2.313 1.00 1.71 H new ATOM 46 N LYS A 18 9.284 4.026 -3.276 1.00 0.59 N ATOM 47 CA LYS A 18 8.424 2.848 -3.293 1.00 0.62 C ATOM 48 C LYS A 18 8.702 1.947 -2.092 1.00 0.53 C ATOM 49 O LYS A 18 7.789 1.350 -1.528 1.00 0.48 O ATOM 50 CB LYS A 18 8.620 2.057 -4.595 1.00 0.82 C ATOM 51 CG LYS A 18 7.924 2.654 -5.817 1.00 1.09 C ATOM 52 CD LYS A 18 8.429 4.052 -6.148 1.00 1.04 C ATOM 53 CE LYS A 18 7.825 4.578 -7.441 1.00 1.44 C ATOM 54 NZ LYS A 18 8.328 3.843 -8.632 1.00 1.90 N ATOM 0 H LYS A 18 9.876 4.119 -4.101 1.00 0.59 H new ATOM 0 HA LYS A 18 7.391 3.190 -3.236 1.00 0.62 H new ATOM 0 HB2 LYS A 18 9.688 1.984 -4.802 1.00 0.82 H new ATOM 0 HB3 LYS A 18 8.254 1.041 -4.445 1.00 0.82 H new ATOM 0 HG2 LYS A 18 8.081 2.001 -6.676 1.00 1.09 H new ATOM 0 HG3 LYS A 18 6.850 2.692 -5.637 1.00 1.09 H new ATOM 0 HD2 LYS A 18 8.185 4.730 -5.330 1.00 1.04 H new ATOM 0 HD3 LYS A 18 9.515 4.035 -6.234 1.00 1.04 H new ATOM 0 HE2 LYS A 18 6.739 4.493 -7.395 1.00 1.44 H new ATOM 0 HE3 LYS A 18 8.057 5.638 -7.545 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 8.836 4.501 -9.257 1.00 1.90 H new ATOM 0 HZ2 LYS A 18 8.974 3.087 -8.326 1.00 1.90 H new ATOM 0 HZ3 LYS A 18 7.526 3.426 -9.147 1.00 1.90 H new ATOM 68 N LYS A 19 9.964 1.867 -1.693 1.00 0.60 N ATOM 69 CA LYS A 19 10.344 1.037 -0.558 1.00 0.61 C ATOM 70 C LYS A 19 9.836 1.647 0.748 1.00 0.53 C ATOM 71 O LYS A 19 9.359 0.934 1.627 1.00 0.55 O ATOM 72 CB LYS A 19 11.864 0.844 -0.517 1.00 0.77 C ATOM 73 CG LYS A 19 12.648 2.136 -0.344 1.00 0.82 C ATOM 74 CD LYS A 19 14.142 1.915 -0.502 1.00 1.19 C ATOM 75 CE LYS A 19 14.672 0.931 0.526 1.00 1.06 C ATOM 76 NZ LYS A 19 16.136 0.721 0.391 1.00 1.49 N ATOM 0 H LYS A 19 10.738 2.363 -2.135 1.00 0.60 H new ATOM 0 HA LYS A 19 9.881 0.057 -0.677 1.00 0.61 H new ATOM 0 HB2 LYS A 19 12.112 0.168 0.302 1.00 0.77 H new ATOM 0 HB3 LYS A 19 12.183 0.358 -1.439 1.00 0.77 H new ATOM 0 HG2 LYS A 19 12.309 2.868 -1.078 1.00 0.82 H new ATOM 0 HG3 LYS A 19 12.445 2.555 0.641 1.00 0.82 H new ATOM 0 HD2 LYS A 19 14.352 1.543 -1.505 1.00 1.19 H new ATOM 0 HD3 LYS A 19 14.664 2.866 -0.399 1.00 1.19 H new ATOM 0 HE2 LYS A 19 14.449 1.298 1.528 1.00 1.06 H new ATOM 0 HE3 LYS A 19 14.157 -0.023 0.414 1.00 1.06 H new ATOM 0 HZ1 LYS A 19 16.457 0.043 1.111 1.00 1.49 H new ATOM 0 HZ2 LYS A 19 16.347 0.347 -0.556 1.00 1.49 H new ATOM 0 HZ3 LYS A 19 16.630 1.626 0.523 1.00 1.49 H new ATOM 90 N ARG A 20 9.899 2.973 0.847 1.00 0.54 N ATOM 91 CA ARG A 20 9.427 3.669 2.040 1.00 0.58 C ATOM 92 C ARG A 20 7.904 3.664 2.079 1.00 0.54 C ATOM 93 O ARG A 20 7.285 3.836 3.129 1.00 0.61 O ATOM 94 CB ARG A 20 9.960 5.103 2.081 1.00 0.70 C ATOM 95 CG ARG A 20 11.478 5.179 2.085 1.00 0.82 C ATOM 96 CD ARG A 20 11.974 6.602 2.296 1.00 1.01 C ATOM 97 NE ARG A 20 11.485 7.521 1.267 1.00 1.31 N ATOM 98 CZ ARG A 20 12.148 8.606 0.861 1.00 1.45 C ATOM 99 NH1 ARG A 20 13.327 8.911 1.394 1.00 1.32 N ATOM 100 NH2 ARG A 20 11.621 9.395 -0.065 1.00 2.34 N ATOM 0 H ARG A 20 10.270 3.584 0.119 1.00 0.54 H new ATOM 0 HA ARG A 20 9.804 3.144 2.918 1.00 0.58 H new ATOM 0 HB2 ARG A 20 9.578 5.650 1.219 1.00 0.70 H new ATOM 0 HB3 ARG A 20 9.576 5.601 2.971 1.00 0.70 H new ATOM 0 HG2 ARG A 20 11.872 4.537 2.873 1.00 0.82 H new ATOM 0 HG3 ARG A 20 11.863 4.797 1.140 1.00 0.82 H new ATOM 0 HD2 ARG A 20 11.653 6.954 3.276 1.00 1.01 H new ATOM 0 HD3 ARG A 20 13.064 6.608 2.296 1.00 1.01 H new ATOM 0 HE ARG A 20 10.583 7.320 0.834 1.00 1.31 H new ATOM 0 HH11 ARG A 20 13.729 8.315 2.117 1.00 1.32 H new ATOM 0 HH12 ARG A 20 13.829 9.741 1.080 1.00 1.32 H new ATOM 0 HH21 ARG A 20 10.710 9.173 -0.466 1.00 2.34 H new ATOM 0 HH22 ARG A 20 12.127 10.224 -0.376 1.00 2.34 H new ATOM 114 N LEU A 21 7.311 3.478 0.911 1.00 0.54 N ATOM 115 CA LEU A 21 5.879 3.272 0.799 1.00 0.59 C ATOM 116 C LEU A 21 5.483 2.002 1.542 1.00 0.57 C ATOM 117 O LEU A 21 4.466 1.959 2.234 1.00 0.64 O ATOM 118 CB LEU A 21 5.490 3.179 -0.683 1.00 0.64 C ATOM 119 CG LEU A 21 4.075 2.681 -0.976 1.00 0.61 C ATOM 120 CD1 LEU A 21 3.039 3.614 -0.367 1.00 0.70 C ATOM 121 CD2 LEU A 21 3.865 2.560 -2.478 1.00 0.61 C ATOM 0 H LEU A 21 7.807 3.466 0.020 1.00 0.54 H new ATOM 0 HA LEU A 21 5.350 4.113 1.247 1.00 0.59 H new ATOM 0 HB2 LEU A 21 5.606 4.166 -1.131 1.00 0.64 H new ATOM 0 HB3 LEU A 21 6.197 2.517 -1.183 1.00 0.64 H new ATOM 0 HG LEU A 21 3.953 1.697 -0.524 1.00 0.61 H new ATOM 0 HD11 LEU A 21 2.039 3.241 -0.588 1.00 0.70 H new ATOM 0 HD12 LEU A 21 3.180 3.659 0.713 1.00 0.70 H new ATOM 0 HD13 LEU A 21 3.155 4.612 -0.789 1.00 0.70 H new ATOM 0 HD21 LEU A 21 2.854 2.204 -2.677 1.00 0.61 H new ATOM 0 HD22 LEU A 21 4.005 3.535 -2.945 1.00 0.61 H new ATOM 0 HD23 LEU A 21 4.585 1.854 -2.890 1.00 0.61 H new ATOM 133 N ALA A 22 6.326 0.988 1.419 1.00 0.56 N ATOM 134 CA ALA A 22 6.067 -0.308 2.021 1.00 0.63 C ATOM 135 C ALA A 22 6.050 -0.240 3.539 1.00 0.51 C ATOM 136 O ALA A 22 5.073 -0.650 4.164 1.00 0.44 O ATOM 137 CB ALA A 22 7.101 -1.312 1.566 1.00 0.83 C ATOM 0 H ALA A 22 7.204 1.041 0.902 1.00 0.56 H new ATOM 0 HA ALA A 22 5.078 -0.625 1.692 1.00 0.63 H new ATOM 0 HB1 ALA A 22 6.895 -2.279 2.025 1.00 0.83 H new ATOM 0 HB2 ALA A 22 7.061 -1.409 0.481 1.00 0.83 H new ATOM 0 HB3 ALA A 22 8.093 -0.973 1.864 1.00 0.83 H new ATOM 143 N TYR A 23 7.124 0.282 4.133 1.00 0.62 N ATOM 144 CA TYR A 23 7.259 0.276 5.587 1.00 0.76 C ATOM 145 C TYR A 23 6.084 1.003 6.235 1.00 0.67 C ATOM 146 O TYR A 23 5.552 0.557 7.248 1.00 0.67 O ATOM 147 CB TYR A 23 8.601 0.896 6.039 1.00 1.11 C ATOM 148 CG TYR A 23 8.521 2.342 6.507 1.00 1.03 C ATOM 149 CD1 TYR A 23 8.147 2.653 7.811 1.00 1.46 C ATOM 150 CD2 TYR A 23 8.817 3.390 5.648 1.00 1.86 C ATOM 151 CE1 TYR A 23 8.067 3.963 8.238 1.00 1.82 C ATOM 152 CE2 TYR A 23 8.739 4.705 6.069 1.00 2.48 C ATOM 153 CZ TYR A 23 8.363 4.985 7.364 1.00 2.23 C ATOM 154 OH TYR A 23 8.276 6.293 7.788 1.00 2.99 O ATOM 0 H TYR A 23 7.904 0.710 3.635 1.00 0.62 H new ATOM 0 HA TYR A 23 7.252 -0.763 5.916 1.00 0.76 H new ATOM 0 HB2 TYR A 23 9.008 0.291 6.849 1.00 1.11 H new ATOM 0 HB3 TYR A 23 9.307 0.837 5.211 1.00 1.11 H new ATOM 0 HD1 TYR A 23 7.915 1.855 8.501 1.00 1.46 H new ATOM 0 HD2 TYR A 23 9.114 3.175 4.632 1.00 1.86 H new ATOM 0 HE1 TYR A 23 7.774 4.186 9.253 1.00 1.82 H new ATOM 0 HE2 TYR A 23 8.972 5.508 5.386 1.00 2.48 H new ATOM 0 HH TYR A 23 7.992 6.315 8.726 1.00 2.99 H new ATOM 164 N ALA A 24 5.670 2.107 5.626 1.00 0.72 N ATOM 165 CA ALA A 24 4.592 2.919 6.164 1.00 0.87 C ATOM 166 C ALA A 24 3.280 2.144 6.171 1.00 0.75 C ATOM 167 O ALA A 24 2.491 2.237 7.110 1.00 0.84 O ATOM 168 CB ALA A 24 4.459 4.199 5.360 1.00 1.14 C ATOM 0 H ALA A 24 6.068 2.460 4.756 1.00 0.72 H new ATOM 0 HA ALA A 24 4.830 3.177 7.196 1.00 0.87 H new ATOM 0 HB1 ALA A 24 3.649 4.803 5.769 1.00 1.14 H new ATOM 0 HB2 ALA A 24 5.392 4.760 5.412 1.00 1.14 H new ATOM 0 HB3 ALA A 24 4.240 3.955 4.320 1.00 1.14 H new ATOM 174 N ILE A 25 3.071 1.367 5.121 1.00 0.62 N ATOM 175 CA ILE A 25 1.886 0.528 5.003 1.00 0.71 C ATOM 176 C ILE A 25 1.966 -0.630 5.990 1.00 0.61 C ATOM 177 O ILE A 25 0.995 -0.938 6.678 1.00 0.66 O ATOM 178 CB ILE A 25 1.726 -0.017 3.566 1.00 0.80 C ATOM 179 CG1 ILE A 25 1.474 1.136 2.592 1.00 0.97 C ATOM 180 CG2 ILE A 25 0.593 -1.034 3.491 1.00 0.91 C ATOM 181 CD1 ILE A 25 1.368 0.698 1.150 1.00 0.89 C ATOM 0 H ILE A 25 3.712 1.299 4.331 1.00 0.62 H new ATOM 0 HA ILE A 25 1.015 1.141 5.233 1.00 0.71 H new ATOM 0 HB ILE A 25 2.651 -0.522 3.285 1.00 0.80 H new ATOM 0 HG12 ILE A 25 0.554 1.646 2.876 1.00 0.97 H new ATOM 0 HG13 ILE A 25 2.282 1.861 2.684 1.00 0.97 H new ATOM 0 HG21 ILE A 25 0.501 -1.402 2.469 1.00 0.91 H new ATOM 0 HG22 ILE A 25 0.808 -1.868 4.159 1.00 0.91 H new ATOM 0 HG23 ILE A 25 -0.342 -0.560 3.791 1.00 0.91 H new ATOM 0 HD11 ILE A 25 1.189 1.568 0.518 1.00 0.89 H new ATOM 0 HD12 ILE A 25 2.297 0.214 0.848 1.00 0.89 H new ATOM 0 HD13 ILE A 25 0.541 -0.004 1.043 1.00 0.89 H new ATOM 193 N ILE A 26 3.141 -1.248 6.065 1.00 0.53 N ATOM 194 CA ILE A 26 3.388 -2.335 7.005 1.00 0.53 C ATOM 195 C ILE A 26 3.094 -1.887 8.433 1.00 0.51 C ATOM 196 O ILE A 26 2.378 -2.562 9.170 1.00 0.53 O ATOM 197 CB ILE A 26 4.852 -2.826 6.916 1.00 0.58 C ATOM 198 CG1 ILE A 26 5.113 -3.475 5.554 1.00 0.67 C ATOM 199 CG2 ILE A 26 5.168 -3.797 8.049 1.00 0.62 C ATOM 200 CD1 ILE A 26 6.558 -3.861 5.334 1.00 0.78 C ATOM 0 H ILE A 26 3.943 -1.011 5.480 1.00 0.53 H new ATOM 0 HA ILE A 26 2.723 -3.156 6.739 1.00 0.53 H new ATOM 0 HB ILE A 26 5.512 -1.964 7.019 1.00 0.58 H new ATOM 0 HG12 ILE A 26 4.490 -4.364 5.459 1.00 0.67 H new ATOM 0 HG13 ILE A 26 4.806 -2.785 4.768 1.00 0.67 H new ATOM 0 HG21 ILE A 26 6.203 -4.129 7.966 1.00 0.62 H new ATOM 0 HG22 ILE A 26 5.023 -3.298 9.007 1.00 0.62 H new ATOM 0 HG23 ILE A 26 4.504 -4.659 7.985 1.00 0.62 H new ATOM 0 HD11 ILE A 26 6.668 -4.315 4.349 1.00 0.78 H new ATOM 0 HD12 ILE A 26 7.186 -2.972 5.396 1.00 0.78 H new ATOM 0 HD13 ILE A 26 6.864 -4.575 6.098 1.00 0.78 H new ATOM 212 N GLN A 27 3.635 -0.733 8.798 1.00 0.54 N ATOM 213 CA GLN A 27 3.459 -0.175 10.133 1.00 0.62 C ATOM 214 C GLN A 27 1.984 0.043 10.462 1.00 0.55 C ATOM 215 O GLN A 27 1.528 -0.282 11.561 1.00 0.57 O ATOM 216 CB GLN A 27 4.227 1.141 10.246 1.00 0.79 C ATOM 217 CG GLN A 27 5.737 0.957 10.254 1.00 0.89 C ATOM 218 CD GLN A 27 6.210 0.055 11.376 1.00 1.10 C ATOM 219 OE1 GLN A 27 5.607 0.010 12.450 1.00 1.58 O ATOM 220 NE2 GLN A 27 7.285 -0.680 11.135 1.00 1.34 N ATOM 0 H GLN A 27 4.207 -0.158 8.179 1.00 0.54 H new ATOM 0 HA GLN A 27 3.854 -0.890 10.854 1.00 0.62 H new ATOM 0 HB2 GLN A 27 3.951 1.788 9.413 1.00 0.79 H new ATOM 0 HB3 GLN A 27 3.925 1.653 11.160 1.00 0.79 H new ATOM 0 HG2 GLN A 27 6.053 0.538 9.299 1.00 0.89 H new ATOM 0 HG3 GLN A 27 6.217 1.931 10.349 1.00 0.89 H new ATOM 0 HE21 GLN A 27 7.756 -0.614 10.233 1.00 1.34 H new ATOM 0 HE22 GLN A 27 7.642 -1.312 11.852 1.00 1.34 H new ATOM 229 N PHE A 28 1.241 0.579 9.507 1.00 0.52 N ATOM 230 CA PHE A 28 -0.175 0.861 9.707 1.00 0.51 C ATOM 231 C PHE A 28 -0.987 -0.423 9.747 1.00 0.43 C ATOM 232 O PHE A 28 -1.722 -0.671 10.702 1.00 0.42 O ATOM 233 CB PHE A 28 -0.686 1.778 8.599 1.00 0.60 C ATOM 234 CG PHE A 28 -2.157 2.076 8.668 1.00 0.90 C ATOM 235 CD1 PHE A 28 -2.711 2.656 9.797 1.00 1.60 C ATOM 236 CD2 PHE A 28 -2.983 1.786 7.593 1.00 1.62 C ATOM 237 CE1 PHE A 28 -4.060 2.940 9.854 1.00 1.98 C ATOM 238 CE2 PHE A 28 -4.333 2.066 7.646 1.00 1.95 C ATOM 239 CZ PHE A 28 -4.874 2.644 8.778 1.00 1.83 C ATOM 0 H PHE A 28 1.594 0.829 8.583 1.00 0.52 H new ATOM 0 HA PHE A 28 -0.292 1.363 10.667 1.00 0.51 H new ATOM 0 HB2 PHE A 28 -0.135 2.718 8.639 1.00 0.60 H new ATOM 0 HB3 PHE A 28 -0.465 1.320 7.635 1.00 0.60 H new ATOM 0 HD1 PHE A 28 -2.080 2.889 10.642 1.00 1.60 H new ATOM 0 HD2 PHE A 28 -2.565 1.336 6.704 1.00 1.62 H new ATOM 0 HE1 PHE A 28 -4.479 3.394 10.740 1.00 1.98 H new ATOM 0 HE2 PHE A 28 -4.966 1.833 6.803 1.00 1.95 H new ATOM 0 HZ PHE A 28 -5.930 2.864 8.822 1.00 1.83 H new ATOM 249 N LEU A 29 -0.838 -1.243 8.714 1.00 0.45 N ATOM 250 CA LEU A 29 -1.573 -2.500 8.618 1.00 0.45 C ATOM 251 C LEU A 29 -1.264 -3.415 9.797 1.00 0.45 C ATOM 252 O LEU A 29 -2.116 -4.191 10.218 1.00 0.48 O ATOM 253 CB LEU A 29 -1.267 -3.215 7.298 1.00 0.53 C ATOM 254 CG LEU A 29 -2.193 -2.865 6.128 1.00 0.59 C ATOM 255 CD1 LEU A 29 -2.175 -1.374 5.832 1.00 0.57 C ATOM 256 CD2 LEU A 29 -1.800 -3.659 4.891 1.00 0.70 C ATOM 0 H LEU A 29 -0.213 -1.060 7.929 1.00 0.45 H new ATOM 0 HA LEU A 29 -2.636 -2.259 8.644 1.00 0.45 H new ATOM 0 HB2 LEU A 29 -0.242 -2.984 7.009 1.00 0.53 H new ATOM 0 HB3 LEU A 29 -1.315 -4.291 7.468 1.00 0.53 H new ATOM 0 HG LEU A 29 -3.210 -3.133 6.412 1.00 0.59 H new ATOM 0 HD11 LEU A 29 -2.842 -1.161 4.997 1.00 0.57 H new ATOM 0 HD12 LEU A 29 -2.508 -0.824 6.712 1.00 0.57 H new ATOM 0 HD13 LEU A 29 -1.162 -1.066 5.574 1.00 0.57 H new ATOM 0 HD21 LEU A 29 -2.465 -3.402 4.067 1.00 0.70 H new ATOM 0 HD22 LEU A 29 -0.773 -3.420 4.616 1.00 0.70 H new ATOM 0 HD23 LEU A 29 -1.880 -4.725 5.102 1.00 0.70 H new ATOM 268 N HIS A 30 -0.048 -3.316 10.323 1.00 0.47 N ATOM 269 CA HIS A 30 0.349 -4.064 11.514 1.00 0.53 C ATOM 270 C HIS A 30 -0.598 -3.774 12.676 1.00 0.47 C ATOM 271 O HIS A 30 -1.215 -4.683 13.239 1.00 0.49 O ATOM 272 CB HIS A 30 1.788 -3.695 11.905 1.00 0.67 C ATOM 273 CG HIS A 30 2.227 -4.223 13.236 1.00 0.93 C ATOM 274 ND1 HIS A 30 2.221 -3.458 14.384 1.00 1.11 N ATOM 275 CD2 HIS A 30 2.706 -5.436 13.598 1.00 1.18 C ATOM 276 CE1 HIS A 30 2.676 -4.178 15.390 1.00 1.37 C ATOM 277 NE2 HIS A 30 2.976 -5.382 14.943 1.00 1.41 N ATOM 0 H HIS A 30 0.686 -2.720 9.941 1.00 0.47 H new ATOM 0 HA HIS A 30 0.298 -5.129 11.287 1.00 0.53 H new ATOM 0 HB2 HIS A 30 2.466 -4.070 11.138 1.00 0.67 H new ATOM 0 HB3 HIS A 30 1.882 -2.609 11.911 1.00 0.67 H new ATOM 0 HD1 HIS A 30 1.913 -2.488 14.445 1.00 1.11 H new ATOM 0 HD2 HIS A 30 2.849 -6.288 12.950 1.00 1.18 H new ATOM 0 HE1 HIS A 30 2.785 -3.839 16.410 1.00 1.37 H new ATOM 286 N ASP A 31 -0.714 -2.502 13.022 1.00 0.48 N ATOM 287 CA ASP A 31 -1.531 -2.087 14.153 1.00 0.51 C ATOM 288 C ASP A 31 -3.014 -2.178 13.812 1.00 0.45 C ATOM 289 O ASP A 31 -3.833 -2.519 14.663 1.00 0.49 O ATOM 290 CB ASP A 31 -1.154 -0.670 14.591 1.00 0.63 C ATOM 291 CG ASP A 31 0.215 -0.611 15.249 1.00 1.24 C ATOM 292 OD1 ASP A 31 1.229 -0.892 14.568 1.00 1.79 O ATOM 293 OD2 ASP A 31 0.289 -0.282 16.450 1.00 1.98 O ATOM 0 H ASP A 31 -0.251 -1.735 12.534 1.00 0.48 H new ATOM 0 HA ASP A 31 -1.339 -2.764 14.985 1.00 0.51 H new ATOM 0 HB2 ASP A 31 -1.166 -0.010 13.724 1.00 0.63 H new ATOM 0 HB3 ASP A 31 -1.905 -0.296 15.287 1.00 0.63 H new ATOM 298 N GLN A 32 -3.350 -1.891 12.560 1.00 0.42 N ATOM 299 CA GLN A 32 -4.720 -2.029 12.071 1.00 0.43 C ATOM 300 C GLN A 32 -5.193 -3.476 12.203 1.00 0.38 C ATOM 301 O GLN A 32 -6.334 -3.738 12.589 1.00 0.43 O ATOM 302 CB GLN A 32 -4.797 -1.575 10.612 1.00 0.52 C ATOM 303 CG GLN A 32 -6.123 -1.845 9.936 1.00 0.57 C ATOM 304 CD GLN A 32 -6.071 -1.433 8.489 1.00 1.17 C ATOM 305 OE1 GLN A 32 -6.499 -0.343 8.121 1.00 1.92 O ATOM 306 NE2 GLN A 32 -5.486 -2.283 7.668 1.00 1.31 N ATOM 0 H GLN A 32 -2.688 -1.559 11.859 1.00 0.42 H new ATOM 0 HA GLN A 32 -5.374 -1.400 12.674 1.00 0.43 H new ATOM 0 HB2 GLN A 32 -4.593 -0.505 10.567 1.00 0.52 H new ATOM 0 HB3 GLN A 32 -4.009 -2.074 10.048 1.00 0.52 H new ATOM 0 HG2 GLN A 32 -6.366 -2.905 10.010 1.00 0.57 H new ATOM 0 HG3 GLN A 32 -6.916 -1.299 10.447 1.00 0.57 H new ATOM 0 HE21 GLN A 32 -5.145 -3.178 8.019 1.00 1.31 H new ATOM 0 HE22 GLN A 32 -5.374 -2.045 6.682 1.00 1.31 H new ATOM 315 N LEU A 33 -4.300 -4.407 11.885 1.00 0.36 N ATOM 316 CA LEU A 33 -4.582 -5.831 12.011 1.00 0.42 C ATOM 317 C LEU A 33 -4.837 -6.178 13.474 1.00 0.46 C ATOM 318 O LEU A 33 -5.803 -6.863 13.804 1.00 0.54 O ATOM 319 CB LEU A 33 -3.397 -6.642 11.445 1.00 0.53 C ATOM 320 CG LEU A 33 -3.574 -8.167 11.341 1.00 0.80 C ATOM 321 CD1 LEU A 33 -3.349 -8.849 12.684 1.00 1.22 C ATOM 322 CD2 LEU A 33 -4.950 -8.510 10.798 1.00 0.83 C ATOM 0 H LEU A 33 -3.365 -4.197 11.535 1.00 0.36 H new ATOM 0 HA LEU A 33 -5.476 -6.084 11.441 1.00 0.42 H new ATOM 0 HB2 LEU A 33 -3.171 -6.260 10.450 1.00 0.53 H new ATOM 0 HB3 LEU A 33 -2.525 -6.445 12.068 1.00 0.53 H new ATOM 0 HG LEU A 33 -2.820 -8.539 10.647 1.00 0.80 H new ATOM 0 HD11 LEU A 33 -3.482 -9.925 12.572 1.00 1.22 H new ATOM 0 HD12 LEU A 33 -2.337 -8.643 13.032 1.00 1.22 H new ATOM 0 HD13 LEU A 33 -4.067 -8.468 13.410 1.00 1.22 H new ATOM 0 HD21 LEU A 33 -5.056 -9.593 10.732 1.00 0.83 H new ATOM 0 HD22 LEU A 33 -5.714 -8.111 11.465 1.00 0.83 H new ATOM 0 HD23 LEU A 33 -5.069 -8.073 9.807 1.00 0.83 H new ATOM 334 N ARG A 34 -3.981 -5.663 14.345 1.00 0.47 N ATOM 335 CA ARG A 34 -4.070 -5.945 15.771 1.00 0.58 C ATOM 336 C ARG A 34 -5.339 -5.342 16.375 1.00 0.58 C ATOM 337 O ARG A 34 -5.837 -5.813 17.397 1.00 0.69 O ATOM 338 CB ARG A 34 -2.833 -5.399 16.488 1.00 0.69 C ATOM 339 CG ARG A 34 -2.708 -5.853 17.934 1.00 1.40 C ATOM 340 CD ARG A 34 -2.637 -7.368 18.037 1.00 1.45 C ATOM 341 NE ARG A 34 -1.566 -7.922 17.211 1.00 2.17 N ATOM 342 CZ ARG A 34 -1.377 -9.224 17.007 1.00 2.52 C ATOM 343 NH1 ARG A 34 -2.172 -10.117 17.583 1.00 2.19 N ATOM 344 NH2 ARG A 34 -0.390 -9.629 16.221 1.00 3.49 N ATOM 0 H ARG A 34 -3.212 -5.044 14.087 1.00 0.47 H new ATOM 0 HA ARG A 34 -4.115 -7.026 15.903 1.00 0.58 H new ATOM 0 HB2 ARG A 34 -1.942 -5.709 15.942 1.00 0.69 H new ATOM 0 HB3 ARG A 34 -2.861 -4.310 16.461 1.00 0.69 H new ATOM 0 HG2 ARG A 34 -1.814 -5.415 18.378 1.00 1.40 H new ATOM 0 HG3 ARG A 34 -3.561 -5.488 18.506 1.00 1.40 H new ATOM 0 HD2 ARG A 34 -2.478 -7.654 19.077 1.00 1.45 H new ATOM 0 HD3 ARG A 34 -3.591 -7.798 17.730 1.00 1.45 H new ATOM 0 HE ARG A 34 -0.923 -7.270 16.762 1.00 2.17 H new ATOM 0 HH11 ARG A 34 -2.934 -9.807 18.187 1.00 2.19 H new ATOM 0 HH12 ARG A 34 -2.021 -11.113 17.422 1.00 2.19 H new ATOM 0 HH21 ARG A 34 0.221 -8.944 15.775 1.00 3.49 H new ATOM 0 HH22 ARG A 34 -0.241 -10.625 16.062 1.00 3.49 H new ATOM 358 N HIS A 35 -5.865 -4.308 15.733 1.00 0.53 N ATOM 359 CA HIS A 35 -7.053 -3.626 16.236 1.00 0.58 C ATOM 360 C HIS A 35 -8.322 -4.182 15.602 1.00 0.58 C ATOM 361 O HIS A 35 -9.429 -3.766 15.941 1.00 0.74 O ATOM 362 CB HIS A 35 -6.970 -2.118 15.977 1.00 0.59 C ATOM 363 CG HIS A 35 -5.845 -1.439 16.695 1.00 1.15 C ATOM 364 ND1 HIS A 35 -5.333 -0.219 16.309 1.00 1.98 N ATOM 365 CD2 HIS A 35 -5.126 -1.817 17.779 1.00 1.61 C ATOM 366 CE1 HIS A 35 -4.350 0.121 17.121 1.00 2.68 C ATOM 367 NE2 HIS A 35 -4.205 -0.831 18.020 1.00 2.42 N ATOM 0 H HIS A 35 -5.491 -3.923 14.866 1.00 0.53 H new ATOM 0 HA HIS A 35 -7.094 -3.802 17.311 1.00 0.58 H new ATOM 0 HB2 HIS A 35 -6.859 -1.949 14.906 1.00 0.59 H new ATOM 0 HB3 HIS A 35 -7.911 -1.656 16.277 1.00 0.59 H new ATOM 0 HD2 HIS A 35 -5.255 -2.726 18.348 1.00 1.61 H new ATOM 0 HE1 HIS A 35 -3.764 1.026 17.059 1.00 2.68 H new ATOM 0 HE2 HIS A 35 -3.518 -0.834 18.774 1.00 2.42 H new ATOM 376 N GLY A 36 -8.148 -5.123 14.678 1.00 0.49 N ATOM 377 CA GLY A 36 -9.279 -5.725 13.995 1.00 0.51 C ATOM 378 C GLY A 36 -10.052 -4.723 13.163 1.00 0.47 C ATOM 379 O GLY A 36 -11.284 -4.736 13.156 1.00 0.53 O ATOM 0 H GLY A 36 -7.238 -5.481 14.389 1.00 0.49 H new ATOM 0 HA2 GLY A 36 -8.925 -6.530 13.352 1.00 0.51 H new ATOM 0 HA3 GLY A 36 -9.947 -6.174 14.730 1.00 0.51 H new ATOM 383 N GLY A 37 -9.325 -3.855 12.465 1.00 0.41 N ATOM 384 CA GLY A 37 -9.953 -2.815 11.668 1.00 0.40 C ATOM 385 C GLY A 37 -10.875 -3.363 10.594 1.00 0.39 C ATOM 386 O GLY A 37 -12.013 -2.912 10.455 1.00 0.52 O ATOM 0 H GLY A 37 -8.305 -3.854 12.437 1.00 0.41 H new ATOM 0 HA2 GLY A 37 -10.521 -2.156 12.324 1.00 0.40 H new ATOM 0 HA3 GLY A 37 -9.179 -2.208 11.199 1.00 0.40 H new ATOM 390 N LEU A 38 -10.385 -4.332 9.834 1.00 0.36 N ATOM 391 CA LEU A 38 -11.173 -4.930 8.761 1.00 0.41 C ATOM 392 C LEU A 38 -11.914 -6.173 9.255 1.00 0.49 C ATOM 393 O LEU A 38 -11.859 -6.504 10.441 1.00 0.83 O ATOM 394 CB LEU A 38 -10.281 -5.287 7.562 1.00 0.44 C ATOM 395 CG LEU A 38 -9.792 -4.111 6.699 1.00 0.44 C ATOM 396 CD1 LEU A 38 -10.965 -3.313 6.152 1.00 0.51 C ATOM 397 CD2 LEU A 38 -8.852 -3.204 7.476 1.00 0.47 C ATOM 0 H LEU A 38 -9.448 -4.721 9.938 1.00 0.36 H new ATOM 0 HA LEU A 38 -11.910 -4.194 8.439 1.00 0.41 H new ATOM 0 HB2 LEU A 38 -9.408 -5.824 7.933 1.00 0.44 H new ATOM 0 HB3 LEU A 38 -10.830 -5.976 6.921 1.00 0.44 H new ATOM 0 HG LEU A 38 -9.238 -4.532 5.860 1.00 0.44 H new ATOM 0 HD11 LEU A 38 -10.592 -2.488 5.546 1.00 0.51 H new ATOM 0 HD12 LEU A 38 -11.591 -3.961 5.538 1.00 0.51 H new ATOM 0 HD13 LEU A 38 -11.554 -2.918 6.980 1.00 0.51 H new ATOM 0 HD21 LEU A 38 -8.526 -2.384 6.836 1.00 0.47 H new ATOM 0 HD22 LEU A 38 -9.371 -2.801 8.346 1.00 0.47 H new ATOM 0 HD23 LEU A 38 -7.984 -3.775 7.804 1.00 0.47 H new ATOM 409 N SER A 39 -12.608 -6.853 8.346 1.00 0.47 N ATOM 410 CA SER A 39 -13.371 -8.051 8.687 1.00 0.54 C ATOM 411 C SER A 39 -12.437 -9.222 9.037 1.00 0.48 C ATOM 412 O SER A 39 -11.217 -9.063 9.063 1.00 0.46 O ATOM 413 CB SER A 39 -14.298 -8.421 7.521 1.00 0.67 C ATOM 414 OG SER A 39 -15.203 -9.453 7.879 1.00 1.42 O ATOM 0 H SER A 39 -12.658 -6.593 7.361 1.00 0.47 H new ATOM 0 HA SER A 39 -13.976 -7.841 9.569 1.00 0.54 H new ATOM 0 HB2 SER A 39 -14.857 -7.540 7.206 1.00 0.67 H new ATOM 0 HB3 SER A 39 -13.700 -8.741 6.668 1.00 0.67 H new ATOM 0 HG SER A 39 -15.779 -9.663 7.114 1.00 1.42 H new ATOM 420 N SER A 40 -13.012 -10.389 9.299 1.00 0.60 N ATOM 421 CA SER A 40 -12.253 -11.551 9.755 1.00 0.61 C ATOM 422 C SER A 40 -11.230 -12.017 8.713 1.00 0.53 C ATOM 423 O SER A 40 -10.024 -11.962 8.951 1.00 0.50 O ATOM 424 CB SER A 40 -13.219 -12.682 10.099 1.00 0.77 C ATOM 425 OG SER A 40 -14.182 -12.846 9.071 1.00 1.63 O ATOM 0 H SER A 40 -14.013 -10.558 9.203 1.00 0.60 H new ATOM 0 HA SER A 40 -11.691 -11.262 10.643 1.00 0.61 H new ATOM 0 HB2 SER A 40 -12.665 -13.611 10.238 1.00 0.77 H new ATOM 0 HB3 SER A 40 -13.720 -12.465 11.043 1.00 0.77 H new ATOM 0 HG SER A 40 -14.792 -13.576 9.307 1.00 1.63 H new ATOM 431 N ASP A 41 -11.715 -12.467 7.560 1.00 0.57 N ATOM 432 CA ASP A 41 -10.835 -12.931 6.487 1.00 0.58 C ATOM 433 C ASP A 41 -9.986 -11.784 5.953 1.00 0.53 C ATOM 434 O ASP A 41 -8.837 -11.973 5.548 1.00 0.56 O ATOM 435 CB ASP A 41 -11.654 -13.553 5.354 1.00 0.71 C ATOM 436 CG ASP A 41 -10.816 -13.873 4.132 1.00 1.25 C ATOM 437 OD1 ASP A 41 -10.076 -14.880 4.158 1.00 1.69 O ATOM 438 OD2 ASP A 41 -10.896 -13.122 3.138 1.00 2.20 O ATOM 0 H ASP A 41 -12.710 -12.521 7.343 1.00 0.57 H new ATOM 0 HA ASP A 41 -10.171 -13.692 6.897 1.00 0.58 H new ATOM 0 HB2 ASP A 41 -12.128 -14.466 5.713 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -12.454 -12.868 5.072 1.00 0.71 H new ATOM 443 N ALA A 42 -10.559 -10.590 5.973 1.00 0.51 N ATOM 444 CA ALA A 42 -9.850 -9.388 5.562 1.00 0.51 C ATOM 445 C ALA A 42 -8.626 -9.155 6.444 1.00 0.47 C ATOM 446 O ALA A 42 -7.573 -8.737 5.967 1.00 0.52 O ATOM 447 CB ALA A 42 -10.787 -8.197 5.622 1.00 0.54 C ATOM 0 H ALA A 42 -11.521 -10.428 6.272 1.00 0.51 H new ATOM 0 HA ALA A 42 -9.504 -9.515 4.536 1.00 0.51 H new ATOM 0 HB1 ALA A 42 -10.253 -7.298 5.314 1.00 0.54 H new ATOM 0 HB2 ALA A 42 -11.632 -8.365 4.954 1.00 0.54 H new ATOM 0 HB3 ALA A 42 -11.151 -8.071 6.642 1.00 0.54 H new ATOM 453 N GLN A 43 -8.783 -9.435 7.732 1.00 0.44 N ATOM 454 CA GLN A 43 -7.682 -9.371 8.686 1.00 0.45 C ATOM 455 C GLN A 43 -6.566 -10.324 8.292 1.00 0.45 C ATOM 456 O GLN A 43 -5.416 -9.919 8.121 1.00 0.48 O ATOM 457 CB GLN A 43 -8.186 -9.727 10.079 1.00 0.49 C ATOM 458 CG GLN A 43 -8.707 -8.535 10.865 1.00 0.82 C ATOM 459 CD GLN A 43 -9.345 -8.941 12.175 1.00 0.85 C ATOM 460 OE1 GLN A 43 -8.682 -9.013 13.209 1.00 1.56 O ATOM 461 NE2 GLN A 43 -10.639 -9.206 12.141 1.00 1.12 N ATOM 0 H GLN A 43 -9.674 -9.712 8.144 1.00 0.44 H new ATOM 0 HA GLN A 43 -7.287 -8.355 8.685 1.00 0.45 H new ATOM 0 HB2 GLN A 43 -8.981 -10.467 9.990 1.00 0.49 H new ATOM 0 HB3 GLN A 43 -7.377 -10.195 10.640 1.00 0.49 H new ATOM 0 HG2 GLN A 43 -7.885 -7.847 11.062 1.00 0.82 H new ATOM 0 HG3 GLN A 43 -9.436 -7.996 10.261 1.00 0.82 H new ATOM 0 HE21 GLN A 43 -11.151 -9.134 11.262 1.00 1.12 H new ATOM 0 HE22 GLN A 43 -11.126 -9.483 12.994 1.00 1.12 H new ATOM 470 N GLU A 44 -6.920 -11.593 8.172 1.00 0.49 N ATOM 471 CA GLU A 44 -6.000 -12.625 7.692 1.00 0.54 C ATOM 472 C GLU A 44 -5.248 -12.157 6.445 1.00 0.51 C ATOM 473 O GLU A 44 -4.045 -12.381 6.308 1.00 0.50 O ATOM 474 CB GLU A 44 -6.770 -13.906 7.365 1.00 0.68 C ATOM 475 CG GLU A 44 -7.545 -14.474 8.541 1.00 1.20 C ATOM 476 CD GLU A 44 -6.659 -14.770 9.730 1.00 1.65 C ATOM 477 OE1 GLU A 44 -5.768 -15.639 9.614 1.00 2.20 O ATOM 478 OE2 GLU A 44 -6.842 -14.136 10.787 1.00 2.36 O ATOM 0 H GLU A 44 -7.850 -11.942 8.403 1.00 0.49 H new ATOM 0 HA GLU A 44 -5.277 -12.821 8.484 1.00 0.54 H new ATOM 0 HB2 GLU A 44 -7.464 -13.703 6.549 1.00 0.68 H new ATOM 0 HB3 GLU A 44 -6.068 -14.659 7.007 1.00 0.68 H new ATOM 0 HG2 GLU A 44 -8.320 -13.767 8.837 1.00 1.20 H new ATOM 0 HG3 GLU A 44 -8.050 -15.389 8.231 1.00 1.20 H new ATOM 485 N SER A 45 -5.968 -11.487 5.553 1.00 0.54 N ATOM 486 CA SER A 45 -5.398 -11.000 4.305 1.00 0.59 C ATOM 487 C SER A 45 -4.345 -9.913 4.549 1.00 0.55 C ATOM 488 O SER A 45 -3.403 -9.772 3.768 1.00 0.58 O ATOM 489 CB SER A 45 -6.513 -10.466 3.403 1.00 0.71 C ATOM 490 OG SER A 45 -7.503 -11.457 3.175 1.00 1.04 O ATOM 0 H SER A 45 -6.957 -11.268 5.674 1.00 0.54 H new ATOM 0 HA SER A 45 -4.898 -11.834 3.813 1.00 0.59 H new ATOM 0 HB2 SER A 45 -6.970 -9.590 3.864 1.00 0.71 H new ATOM 0 HB3 SER A 45 -6.092 -10.142 2.451 1.00 0.71 H new ATOM 0 HG SER A 45 -7.988 -11.633 4.008 1.00 1.04 H new ATOM 496 N LEU A 46 -4.496 -9.154 5.637 1.00 0.56 N ATOM 497 CA LEU A 46 -3.539 -8.097 5.964 1.00 0.60 C ATOM 498 C LEU A 46 -2.166 -8.693 6.215 1.00 0.50 C ATOM 499 O LEU A 46 -1.187 -8.287 5.595 1.00 0.48 O ATOM 500 CB LEU A 46 -3.966 -7.301 7.206 1.00 0.74 C ATOM 501 CG LEU A 46 -5.329 -6.613 7.130 1.00 0.75 C ATOM 502 CD1 LEU A 46 -5.545 -5.719 8.341 1.00 1.28 C ATOM 503 CD2 LEU A 46 -5.456 -5.805 5.847 1.00 1.14 C ATOM 0 H LEU A 46 -5.265 -9.251 6.300 1.00 0.56 H new ATOM 0 HA LEU A 46 -3.508 -7.419 5.111 1.00 0.60 H new ATOM 0 HB2 LEU A 46 -3.970 -7.977 8.061 1.00 0.74 H new ATOM 0 HB3 LEU A 46 -3.209 -6.542 7.403 1.00 0.74 H new ATOM 0 HG LEU A 46 -6.098 -7.385 7.127 1.00 0.75 H new ATOM 0 HD11 LEU A 46 -6.520 -5.238 8.269 1.00 1.28 H new ATOM 0 HD12 LEU A 46 -5.503 -6.320 9.249 1.00 1.28 H new ATOM 0 HD13 LEU A 46 -4.766 -4.957 8.374 1.00 1.28 H new ATOM 0 HD21 LEU A 46 -6.434 -5.325 5.815 1.00 1.14 H new ATOM 0 HD22 LEU A 46 -4.676 -5.044 5.818 1.00 1.14 H new ATOM 0 HD23 LEU A 46 -5.349 -6.467 4.988 1.00 1.14 H new ATOM 515 N GLU A 47 -2.116 -9.672 7.113 1.00 0.49 N ATOM 516 CA GLU A 47 -0.858 -10.297 7.512 1.00 0.48 C ATOM 517 C GLU A 47 -0.106 -10.833 6.296 1.00 0.43 C ATOM 518 O GLU A 47 1.095 -10.603 6.146 1.00 0.45 O ATOM 519 CB GLU A 47 -1.129 -11.427 8.509 1.00 0.55 C ATOM 520 CG GLU A 47 0.129 -12.049 9.094 1.00 0.81 C ATOM 521 CD GLU A 47 0.975 -11.052 9.862 1.00 1.06 C ATOM 522 OE1 GLU A 47 0.559 -10.636 10.963 1.00 1.76 O ATOM 523 OE2 GLU A 47 2.062 -10.678 9.373 1.00 1.51 O ATOM 0 H GLU A 47 -2.938 -10.052 7.582 1.00 0.49 H new ATOM 0 HA GLU A 47 -0.234 -9.542 7.990 1.00 0.48 H new ATOM 0 HB2 GLU A 47 -1.743 -11.041 9.322 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -1.710 -12.205 8.013 1.00 0.55 H new ATOM 0 HG2 GLU A 47 -0.151 -12.868 9.757 1.00 0.81 H new ATOM 0 HG3 GLU A 47 0.724 -12.480 8.289 1.00 0.81 H new ATOM 530 N VAL A 48 -0.829 -11.524 5.418 1.00 0.41 N ATOM 531 CA VAL A 48 -0.234 -12.080 4.208 1.00 0.42 C ATOM 532 C VAL A 48 0.345 -10.966 3.341 1.00 0.41 C ATOM 533 O VAL A 48 1.496 -11.036 2.906 1.00 0.43 O ATOM 534 CB VAL A 48 -1.264 -12.872 3.375 1.00 0.46 C ATOM 535 CG1 VAL A 48 -0.579 -13.615 2.240 1.00 0.49 C ATOM 536 CG2 VAL A 48 -2.045 -13.838 4.247 1.00 0.49 C ATOM 0 H VAL A 48 -1.826 -11.711 5.523 1.00 0.41 H new ATOM 0 HA VAL A 48 0.557 -12.760 4.524 1.00 0.42 H new ATOM 0 HB VAL A 48 -1.968 -12.158 2.947 1.00 0.46 H new ATOM 0 HG11 VAL A 48 -1.323 -14.167 1.665 1.00 0.49 H new ATOM 0 HG12 VAL A 48 -0.075 -12.900 1.589 1.00 0.49 H new ATOM 0 HG13 VAL A 48 0.152 -14.311 2.650 1.00 0.49 H new ATOM 0 HG21 VAL A 48 -2.763 -14.382 3.634 1.00 0.49 H new ATOM 0 HG22 VAL A 48 -1.358 -14.544 4.714 1.00 0.49 H new ATOM 0 HG23 VAL A 48 -2.576 -13.283 5.020 1.00 0.49 H new ATOM 546 N ALA A 49 -0.459 -9.932 3.112 1.00 0.41 N ATOM 547 CA ALA A 49 -0.049 -8.803 2.287 1.00 0.43 C ATOM 548 C ALA A 49 1.162 -8.095 2.881 1.00 0.43 C ATOM 549 O ALA A 49 2.081 -7.711 2.157 1.00 0.48 O ATOM 550 CB ALA A 49 -1.199 -7.825 2.121 1.00 0.44 C ATOM 0 H ALA A 49 -1.403 -9.854 3.489 1.00 0.41 H new ATOM 0 HA ALA A 49 0.233 -9.189 1.307 1.00 0.43 H new ATOM 0 HB1 ALA A 49 -0.878 -6.987 1.502 1.00 0.44 H new ATOM 0 HB2 ALA A 49 -2.039 -8.329 1.642 1.00 0.44 H new ATOM 0 HB3 ALA A 49 -1.507 -7.456 3.099 1.00 0.44 H new ATOM 556 N ILE A 50 1.157 -7.931 4.202 1.00 0.40 N ATOM 557 CA ILE A 50 2.271 -7.307 4.907 1.00 0.40 C ATOM 558 C ILE A 50 3.572 -8.047 4.613 1.00 0.38 C ATOM 559 O ILE A 50 4.569 -7.436 4.225 1.00 0.41 O ATOM 560 CB ILE A 50 2.035 -7.285 6.436 1.00 0.43 C ATOM 561 CG1 ILE A 50 0.838 -6.398 6.788 1.00 0.53 C ATOM 562 CG2 ILE A 50 3.283 -6.801 7.161 1.00 0.47 C ATOM 563 CD1 ILE A 50 0.480 -6.423 8.260 1.00 0.61 C ATOM 0 H ILE A 50 0.390 -8.224 4.807 1.00 0.40 H new ATOM 0 HA ILE A 50 2.343 -6.280 4.550 1.00 0.40 H new ATOM 0 HB ILE A 50 1.816 -8.302 6.761 1.00 0.43 H new ATOM 0 HG12 ILE A 50 1.057 -5.372 6.493 1.00 0.53 H new ATOM 0 HG13 ILE A 50 -0.026 -6.720 6.206 1.00 0.53 H new ATOM 0 HG21 ILE A 50 3.099 -6.792 8.235 1.00 0.47 H new ATOM 0 HG22 ILE A 50 4.114 -7.471 6.941 1.00 0.47 H new ATOM 0 HG23 ILE A 50 3.530 -5.793 6.827 1.00 0.47 H new ATOM 0 HD11 ILE A 50 -0.376 -5.772 8.437 1.00 0.61 H new ATOM 0 HD12 ILE A 50 0.229 -7.442 8.556 1.00 0.61 H new ATOM 0 HD13 ILE A 50 1.329 -6.073 8.847 1.00 0.61 H new ATOM 575 N GLN A 51 3.546 -9.365 4.780 1.00 0.39 N ATOM 576 CA GLN A 51 4.729 -10.185 4.557 1.00 0.43 C ATOM 577 C GLN A 51 5.169 -10.111 3.099 1.00 0.43 C ATOM 578 O GLN A 51 6.359 -9.998 2.803 1.00 0.47 O ATOM 579 CB GLN A 51 4.462 -11.641 4.948 1.00 0.50 C ATOM 580 CG GLN A 51 4.099 -11.830 6.413 1.00 0.78 C ATOM 581 CD GLN A 51 5.101 -11.189 7.353 1.00 1.02 C ATOM 582 OE1 GLN A 51 6.098 -11.803 7.732 1.00 1.84 O ATOM 583 NE2 GLN A 51 4.827 -9.962 7.760 1.00 1.35 N ATOM 0 H GLN A 51 2.719 -9.887 5.069 1.00 0.39 H new ATOM 0 HA GLN A 51 5.530 -9.795 5.185 1.00 0.43 H new ATOM 0 HB2 GLN A 51 3.653 -12.030 4.330 1.00 0.50 H new ATOM 0 HB3 GLN A 51 5.348 -12.235 4.724 1.00 0.50 H new ATOM 0 HG2 GLN A 51 3.112 -11.405 6.596 1.00 0.78 H new ATOM 0 HG3 GLN A 51 4.032 -12.896 6.632 1.00 0.78 H new ATOM 0 HE21 GLN A 51 3.990 -9.488 7.422 1.00 1.35 H new ATOM 0 HE22 GLN A 51 5.453 -9.489 8.412 1.00 1.35 H new ATOM 592 N CYS A 52 4.197 -10.152 2.198 1.00 0.45 N ATOM 593 CA CYS A 52 4.473 -10.111 0.771 1.00 0.53 C ATOM 594 C CYS A 52 5.100 -8.783 0.361 1.00 0.53 C ATOM 595 O CYS A 52 6.136 -8.765 -0.294 1.00 0.60 O ATOM 596 CB CYS A 52 3.191 -10.357 -0.021 1.00 0.59 C ATOM 597 SG CYS A 52 2.460 -11.983 0.266 1.00 0.69 S ATOM 0 H CYS A 52 3.206 -10.214 2.433 1.00 0.45 H new ATOM 0 HA CYS A 52 5.190 -10.901 0.546 1.00 0.53 H new ATOM 0 HB2 CYS A 52 2.462 -9.590 0.238 1.00 0.59 H new ATOM 0 HB3 CYS A 52 3.405 -10.247 -1.084 1.00 0.59 H new ATOM 0 HG CYS A 52 1.881 -11.999 1.430 1.00 0.69 H new ATOM 603 N LEU A 53 4.486 -7.672 0.762 1.00 0.50 N ATOM 604 CA LEU A 53 4.985 -6.350 0.390 1.00 0.54 C ATOM 605 C LEU A 53 6.348 -6.079 1.012 1.00 0.51 C ATOM 606 O LEU A 53 7.201 -5.438 0.396 1.00 0.58 O ATOM 607 CB LEU A 53 3.997 -5.255 0.792 1.00 0.63 C ATOM 608 CG LEU A 53 2.680 -5.249 0.013 1.00 0.54 C ATOM 609 CD1 LEU A 53 1.781 -4.125 0.499 1.00 0.76 C ATOM 610 CD2 LEU A 53 2.941 -5.113 -1.483 1.00 0.61 C ATOM 0 H LEU A 53 3.647 -7.660 1.341 1.00 0.50 H new ATOM 0 HA LEU A 53 5.093 -6.338 -0.695 1.00 0.54 H new ATOM 0 HB2 LEU A 53 3.773 -5.362 1.853 1.00 0.63 H new ATOM 0 HB3 LEU A 53 4.481 -4.287 0.664 1.00 0.63 H new ATOM 0 HG LEU A 53 2.174 -6.198 0.188 1.00 0.54 H new ATOM 0 HD11 LEU A 53 0.849 -4.135 -0.065 1.00 0.76 H new ATOM 0 HD12 LEU A 53 1.565 -4.264 1.558 1.00 0.76 H new ATOM 0 HD13 LEU A 53 2.283 -3.169 0.353 1.00 0.76 H new ATOM 0 HD21 LEU A 53 1.992 -5.111 -2.019 1.00 0.61 H new ATOM 0 HD22 LEU A 53 3.469 -4.180 -1.677 1.00 0.61 H new ATOM 0 HD23 LEU A 53 3.548 -5.951 -1.824 1.00 0.61 H new ATOM 622 N GLU A 54 6.550 -6.577 2.226 1.00 0.47 N ATOM 623 CA GLU A 54 7.831 -6.446 2.901 1.00 0.51 C ATOM 624 C GLU A 54 8.937 -7.051 2.041 1.00 0.56 C ATOM 625 O GLU A 54 9.930 -6.393 1.724 1.00 0.65 O ATOM 626 CB GLU A 54 7.787 -7.146 4.260 1.00 0.56 C ATOM 627 CG GLU A 54 9.044 -6.947 5.086 1.00 0.73 C ATOM 628 CD GLU A 54 9.054 -7.778 6.348 1.00 1.05 C ATOM 629 OE1 GLU A 54 9.369 -8.985 6.264 1.00 1.65 O ATOM 630 OE2 GLU A 54 8.751 -7.232 7.430 1.00 1.62 O ATOM 0 H GLU A 54 5.840 -7.076 2.762 1.00 0.47 H new ATOM 0 HA GLU A 54 8.039 -5.387 3.057 1.00 0.51 H new ATOM 0 HB2 GLU A 54 6.930 -6.776 4.823 1.00 0.56 H new ATOM 0 HB3 GLU A 54 7.629 -8.213 4.105 1.00 0.56 H new ATOM 0 HG2 GLU A 54 9.914 -7.202 4.482 1.00 0.73 H new ATOM 0 HG3 GLU A 54 9.137 -5.893 5.350 1.00 0.73 H new ATOM 637 N THR A 55 8.734 -8.299 1.645 1.00 0.61 N ATOM 638 CA THR A 55 9.688 -9.012 0.814 1.00 0.78 C ATOM 639 C THR A 55 9.741 -8.419 -0.598 1.00 0.83 C ATOM 640 O THR A 55 10.801 -8.382 -1.227 1.00 0.98 O ATOM 641 CB THR A 55 9.314 -10.503 0.742 1.00 0.95 C ATOM 642 OG1 THR A 55 9.180 -11.028 2.070 1.00 1.00 O ATOM 643 CG2 THR A 55 10.362 -11.303 -0.015 1.00 1.16 C ATOM 0 H THR A 55 7.906 -8.842 1.890 1.00 0.61 H new ATOM 0 HA THR A 55 10.675 -8.908 1.266 1.00 0.78 H new ATOM 0 HB THR A 55 8.368 -10.589 0.207 1.00 0.95 H new ATOM 0 HG1 THR A 55 8.315 -10.757 2.443 1.00 1.00 H new ATOM 0 HG21 THR A 55 10.066 -12.352 -0.047 1.00 1.16 H new ATOM 0 HG22 THR A 55 10.448 -10.919 -1.032 1.00 1.16 H new ATOM 0 HG23 THR A 55 11.324 -11.212 0.490 1.00 1.16 H new ATOM 651 N ALA A 56 8.594 -7.942 -1.073 1.00 0.77 N ATOM 652 CA ALA A 56 8.477 -7.376 -2.412 1.00 0.88 C ATOM 653 C ALA A 56 9.419 -6.197 -2.612 1.00 0.88 C ATOM 654 O ALA A 56 10.231 -6.188 -3.532 1.00 1.15 O ATOM 655 CB ALA A 56 7.045 -6.947 -2.681 1.00 0.90 C ATOM 0 H ALA A 56 7.723 -7.937 -0.542 1.00 0.77 H new ATOM 0 HA ALA A 56 8.761 -8.154 -3.121 1.00 0.88 H new ATOM 0 HB1 ALA A 56 6.973 -6.527 -3.684 1.00 0.90 H new ATOM 0 HB2 ALA A 56 6.385 -7.811 -2.602 1.00 0.90 H new ATOM 0 HB3 ALA A 56 6.747 -6.195 -1.950 1.00 0.90 H new ATOM 661 N PHE A 57 9.315 -5.203 -1.745 1.00 0.76 N ATOM 662 CA PHE A 57 10.137 -4.016 -1.864 1.00 1.05 C ATOM 663 C PHE A 57 11.527 -4.249 -1.278 1.00 1.56 C ATOM 664 O PHE A 57 12.408 -3.397 -1.391 1.00 2.05 O ATOM 665 CB PHE A 57 9.466 -2.844 -1.160 1.00 1.04 C ATOM 666 CG PHE A 57 8.154 -2.422 -1.765 1.00 0.93 C ATOM 667 CD1 PHE A 57 8.118 -1.555 -2.846 1.00 1.47 C ATOM 668 CD2 PHE A 57 6.957 -2.870 -1.235 1.00 1.50 C ATOM 669 CE1 PHE A 57 6.909 -1.142 -3.380 1.00 1.46 C ATOM 670 CE2 PHE A 57 5.750 -2.466 -1.766 1.00 1.50 C ATOM 671 CZ PHE A 57 5.724 -1.600 -2.838 1.00 0.92 C ATOM 0 H PHE A 57 8.671 -5.197 -0.954 1.00 0.76 H new ATOM 0 HA PHE A 57 10.248 -3.785 -2.923 1.00 1.05 H new ATOM 0 HB2 PHE A 57 9.302 -3.109 -0.116 1.00 1.04 H new ATOM 0 HB3 PHE A 57 10.147 -1.993 -1.169 1.00 1.04 H new ATOM 0 HD1 PHE A 57 9.042 -1.198 -3.276 1.00 1.47 H new ATOM 0 HD2 PHE A 57 6.968 -3.546 -0.393 1.00 1.50 H new ATOM 0 HE1 PHE A 57 6.893 -0.463 -4.219 1.00 1.46 H new ATOM 0 HE2 PHE A 57 4.825 -2.828 -1.342 1.00 1.50 H new ATOM 0 HZ PHE A 57 4.780 -1.280 -3.253 1.00 0.92 H new ATOM 681 N GLY A 58 11.711 -5.410 -0.655 1.00 1.71 N ATOM 682 CA GLY A 58 12.989 -5.744 -0.055 1.00 2.29 C ATOM 683 C GLY A 58 13.260 -4.932 1.193 1.00 2.05 C ATOM 684 O GLY A 58 14.410 -4.628 1.517 1.00 2.60 O ATOM 0 H GLY A 58 10.993 -6.128 -0.555 1.00 1.71 H new ATOM 0 HA2 GLY A 58 13.007 -6.805 0.192 1.00 2.29 H new ATOM 0 HA3 GLY A 58 13.785 -5.572 -0.779 1.00 2.29 H new ATOM 688 N VAL A 59 12.198 -4.591 1.903 1.00 1.35 N ATOM 689 CA VAL A 59 12.308 -3.731 3.069 1.00 1.13 C ATOM 690 C VAL A 59 12.173 -4.530 4.356 1.00 1.04 C ATOM 691 O VAL A 59 11.714 -5.669 4.349 1.00 1.22 O ATOM 692 CB VAL A 59 11.249 -2.609 3.052 1.00 0.93 C ATOM 693 CG1 VAL A 59 11.455 -1.703 1.851 1.00 1.23 C ATOM 694 CG2 VAL A 59 9.840 -3.184 3.044 1.00 1.00 C ATOM 0 H VAL A 59 11.248 -4.897 1.692 1.00 1.35 H new ATOM 0 HA VAL A 59 13.298 -3.277 3.031 1.00 1.13 H new ATOM 0 HB VAL A 59 11.369 -2.020 3.961 1.00 0.93 H new ATOM 0 HG11 VAL A 59 10.700 -0.917 1.854 1.00 1.23 H new ATOM 0 HG12 VAL A 59 12.447 -1.253 1.900 1.00 1.23 H new ATOM 0 HG13 VAL A 59 11.367 -2.287 0.935 1.00 1.23 H new ATOM 0 HG21 VAL A 59 9.115 -2.370 3.032 1.00 1.00 H new ATOM 0 HG22 VAL A 59 9.705 -3.803 2.157 1.00 1.00 H new ATOM 0 HG23 VAL A 59 9.690 -3.791 3.937 1.00 1.00 H new ATOM 704 N THR A 60 12.600 -3.927 5.450 1.00 1.18 N ATOM 705 CA THR A 60 12.485 -4.525 6.768 1.00 1.30 C ATOM 706 C THR A 60 12.110 -3.444 7.774 1.00 1.16 C ATOM 707 O THR A 60 11.784 -2.321 7.380 1.00 1.15 O ATOM 708 CB THR A 60 13.811 -5.192 7.205 1.00 1.94 C ATOM 709 OG1 THR A 60 14.896 -4.271 7.039 1.00 2.24 O ATOM 710 CG2 THR A 60 14.088 -6.460 6.410 1.00 2.38 C ATOM 0 H THR A 60 13.038 -3.006 5.450 1.00 1.18 H new ATOM 0 HA THR A 60 11.715 -5.295 6.729 1.00 1.30 H new ATOM 0 HB THR A 60 13.717 -5.467 8.256 1.00 1.94 H new ATOM 0 HG1 THR A 60 15.713 -4.655 7.421 1.00 2.24 H new ATOM 0 HG21 THR A 60 15.027 -6.901 6.744 1.00 2.38 H new ATOM 0 HG22 THR A 60 13.277 -7.172 6.566 1.00 2.38 H new ATOM 0 HG23 THR A 60 14.158 -6.217 5.350 1.00 2.38 H new ATOM 718 N VAL A 61 12.167 -3.759 9.061 1.00 1.41 N ATOM 719 CA VAL A 61 11.949 -2.751 10.093 1.00 1.59 C ATOM 720 C VAL A 61 13.008 -1.645 9.978 1.00 1.83 C ATOM 721 O VAL A 61 12.801 -0.510 10.411 1.00 2.11 O ATOM 722 CB VAL A 61 11.973 -3.378 11.507 1.00 1.81 C ATOM 723 CG1 VAL A 61 13.356 -3.904 11.851 1.00 2.21 C ATOM 724 CG2 VAL A 61 11.493 -2.382 12.551 1.00 1.95 C ATOM 0 H VAL A 61 12.361 -4.696 9.415 1.00 1.41 H new ATOM 0 HA VAL A 61 10.961 -2.316 9.941 1.00 1.59 H new ATOM 0 HB VAL A 61 11.286 -4.225 11.508 1.00 1.81 H new ATOM 0 HG11 VAL A 61 13.342 -4.339 12.850 1.00 2.21 H new ATOM 0 HG12 VAL A 61 13.646 -4.666 11.128 1.00 2.21 H new ATOM 0 HG13 VAL A 61 14.074 -3.085 11.822 1.00 2.21 H new ATOM 0 HG21 VAL A 61 11.519 -2.847 13.537 1.00 1.95 H new ATOM 0 HG22 VAL A 61 12.143 -1.507 12.545 1.00 1.95 H new ATOM 0 HG23 VAL A 61 10.472 -2.077 12.321 1.00 1.95 H new ATOM 734 N GLU A 62 14.126 -1.985 9.337 1.00 1.89 N ATOM 735 CA GLU A 62 15.221 -1.047 9.111 1.00 2.16 C ATOM 736 C GLU A 62 14.778 0.101 8.207 1.00 1.64 C ATOM 737 O GLU A 62 15.345 1.194 8.245 1.00 1.65 O ATOM 738 CB GLU A 62 16.404 -1.775 8.476 1.00 2.87 C ATOM 739 CG GLU A 62 16.905 -2.944 9.302 1.00 3.13 C ATOM 740 CD GLU A 62 17.895 -3.805 8.552 1.00 3.57 C ATOM 741 OE1 GLU A 62 19.105 -3.506 8.601 1.00 3.98 O ATOM 742 OE2 GLU A 62 17.463 -4.791 7.910 1.00 4.01 O ATOM 0 H GLU A 62 14.296 -2.918 8.961 1.00 1.89 H new ATOM 0 HA GLU A 62 15.521 -0.632 10.073 1.00 2.16 H new ATOM 0 HB2 GLU A 62 16.112 -2.135 7.489 1.00 2.87 H new ATOM 0 HB3 GLU A 62 17.220 -1.067 8.329 1.00 2.87 H new ATOM 0 HG2 GLU A 62 17.373 -2.567 10.211 1.00 3.13 H new ATOM 0 HG3 GLU A 62 16.057 -3.556 9.610 1.00 3.13 H new ATOM 749 N ASP A 63 13.759 -0.150 7.392 1.00 1.38 N ATOM 750 CA ASP A 63 13.224 0.881 6.511 1.00 1.61 C ATOM 751 C ASP A 63 12.414 1.876 7.333 1.00 1.60 C ATOM 752 O ASP A 63 12.246 3.033 6.959 1.00 1.95 O ATOM 753 CB ASP A 63 12.355 0.257 5.415 1.00 1.89 C ATOM 754 CG ASP A 63 12.175 1.178 4.223 1.00 2.88 C ATOM 755 OD1 ASP A 63 13.068 1.186 3.348 1.00 3.35 O ATOM 756 OD2 ASP A 63 11.151 1.884 4.157 1.00 3.62 O ATOM 0 H ASP A 63 13.290 -1.053 7.323 1.00 1.38 H new ATOM 0 HA ASP A 63 14.050 1.402 6.028 1.00 1.61 H new ATOM 0 HB2 ASP A 63 12.809 -0.677 5.083 1.00 1.89 H new ATOM 0 HB3 ASP A 63 11.378 0.007 5.828 1.00 1.89 H new ATOM 761 N SER A 64 11.945 1.416 8.486 1.00 1.54 N ATOM 762 CA SER A 64 11.230 2.273 9.415 1.00 1.81 C ATOM 763 C SER A 64 12.230 3.096 10.226 1.00 1.74 C ATOM 764 O SER A 64 11.868 4.084 10.861 1.00 1.93 O ATOM 765 CB SER A 64 10.341 1.433 10.339 1.00 2.41 C ATOM 766 OG SER A 64 9.456 2.247 11.095 1.00 2.91 O ATOM 0 H SER A 64 12.049 0.451 8.798 1.00 1.54 H new ATOM 0 HA SER A 64 10.587 2.953 8.855 1.00 1.81 H new ATOM 0 HB2 SER A 64 9.765 0.723 9.745 1.00 2.41 H new ATOM 0 HB3 SER A 64 10.966 0.849 11.015 1.00 2.41 H new ATOM 0 HG SER A 64 9.894 3.098 11.306 1.00 2.91 H new ATOM 772 N ASP A 65 13.492 2.671 10.208 1.00 1.69 N ATOM 773 CA ASP A 65 14.567 3.443 10.829 1.00 2.03 C ATOM 774 C ASP A 65 14.863 4.691 10.008 1.00 1.90 C ATOM 775 O ASP A 65 15.078 5.772 10.556 1.00 2.28 O ATOM 776 CB ASP A 65 15.840 2.604 10.976 1.00 2.26 C ATOM 777 CG ASP A 65 15.751 1.594 12.101 1.00 2.89 C ATOM 778 OD1 ASP A 65 16.108 1.942 13.246 1.00 3.46 O ATOM 779 OD2 ASP A 65 15.327 0.451 11.850 1.00 3.35 O ATOM 0 H ASP A 65 13.795 1.800 9.772 1.00 1.69 H new ATOM 0 HA ASP A 65 14.234 3.737 11.824 1.00 2.03 H new ATOM 0 HB2 ASP A 65 16.035 2.082 10.040 1.00 2.26 H new ATOM 0 HB3 ASP A 65 16.687 3.266 11.154 1.00 2.26 H new ATOM 784 N LEU A 66 14.851 4.544 8.687 1.00 1.52 N ATOM 785 CA LEU A 66 15.055 5.677 7.787 1.00 1.61 C ATOM 786 C LEU A 66 13.720 6.365 7.487 1.00 1.45 C ATOM 787 O LEU A 66 13.521 6.945 6.418 1.00 1.72 O ATOM 788 CB LEU A 66 15.765 5.224 6.496 1.00 1.77 C ATOM 789 CG LEU A 66 15.164 4.008 5.774 1.00 1.59 C ATOM 790 CD1 LEU A 66 14.065 4.423 4.808 1.00 1.87 C ATOM 791 CD2 LEU A 66 16.248 3.240 5.036 1.00 1.57 C ATOM 0 H LEU A 66 14.702 3.652 8.215 1.00 1.52 H new ATOM 0 HA LEU A 66 15.702 6.405 8.277 1.00 1.61 H new ATOM 0 HB2 LEU A 66 15.776 6.063 5.800 1.00 1.77 H new ATOM 0 HB3 LEU A 66 16.803 4.998 6.739 1.00 1.77 H new ATOM 0 HG LEU A 66 14.721 3.359 6.530 1.00 1.59 H new ATOM 0 HD11 LEU A 66 13.662 3.539 4.314 1.00 1.87 H new ATOM 0 HD12 LEU A 66 13.269 4.927 5.357 1.00 1.87 H new ATOM 0 HD13 LEU A 66 14.475 5.101 4.060 1.00 1.87 H new ATOM 0 HD21 LEU A 66 15.806 2.382 4.530 1.00 1.57 H new ATOM 0 HD22 LEU A 66 16.719 3.892 4.300 1.00 1.57 H new ATOM 0 HD23 LEU A 66 16.998 2.895 5.748 1.00 1.57 H new ATOM 803 N ALA A 67 12.829 6.305 8.475 1.00 1.30 N ATOM 804 CA ALA A 67 11.467 6.820 8.372 1.00 1.26 C ATOM 805 C ALA A 67 11.399 8.251 7.847 1.00 1.27 C ATOM 806 O ALA A 67 12.323 9.049 8.024 1.00 1.53 O ATOM 807 CB ALA A 67 10.801 6.750 9.733 1.00 1.48 C ATOM 0 H ALA A 67 13.037 5.890 9.383 1.00 1.30 H new ATOM 0 HA ALA A 67 10.945 6.194 7.648 1.00 1.26 H new ATOM 0 HB1 ALA A 67 9.783 7.134 9.660 1.00 1.48 H new ATOM 0 HB2 ALA A 67 10.775 5.715 10.072 1.00 1.48 H new ATOM 0 HB3 ALA A 67 11.365 7.351 10.446 1.00 1.48 H new ATOM 813 N LEU A 68 10.276 8.561 7.219 1.00 1.15 N ATOM 814 CA LEU A 68 10.010 9.888 6.690 1.00 1.28 C ATOM 815 C LEU A 68 9.486 10.805 7.795 1.00 1.55 C ATOM 816 O LEU A 68 9.159 10.321 8.880 1.00 1.55 O ATOM 817 CB LEU A 68 8.990 9.780 5.550 1.00 1.24 C ATOM 818 CG LEU A 68 9.513 9.112 4.277 1.00 1.18 C ATOM 819 CD1 LEU A 68 8.380 8.864 3.296 1.00 1.20 C ATOM 820 CD2 LEU A 68 10.589 9.973 3.634 1.00 1.18 C ATOM 0 H LEU A 68 9.520 7.895 7.061 1.00 1.15 H new ATOM 0 HA LEU A 68 10.935 10.318 6.305 1.00 1.28 H new ATOM 0 HB2 LEU A 68 8.126 9.220 5.907 1.00 1.24 H new ATOM 0 HB3 LEU A 68 8.640 10.781 5.300 1.00 1.24 H new ATOM 0 HG LEU A 68 9.948 8.150 4.548 1.00 1.18 H new ATOM 0 HD11 LEU A 68 8.774 8.388 2.398 1.00 1.20 H new ATOM 0 HD12 LEU A 68 7.637 8.212 3.756 1.00 1.20 H new ATOM 0 HD13 LEU A 68 7.915 9.813 3.030 1.00 1.20 H new ATOM 0 HD21 LEU A 68 10.952 9.486 2.729 1.00 1.18 H new ATOM 0 HD22 LEU A 68 10.171 10.947 3.379 1.00 1.18 H new ATOM 0 HD23 LEU A 68 11.416 10.104 4.332 1.00 1.18 H new ATOM 832 N PRO A 69 9.434 12.137 7.555 1.00 1.93 N ATOM 833 CA PRO A 69 8.887 13.115 8.504 1.00 2.35 C ATOM 834 C PRO A 69 7.630 12.610 9.212 1.00 2.24 C ATOM 835 O PRO A 69 7.520 12.688 10.438 1.00 2.61 O ATOM 836 CB PRO A 69 8.556 14.332 7.623 1.00 2.74 C ATOM 837 CG PRO A 69 8.985 13.973 6.231 1.00 2.56 C ATOM 838 CD PRO A 69 9.935 12.818 6.359 1.00 2.06 C ATOM 0 HA PRO A 69 9.593 13.333 9.306 1.00 2.35 H new ATOM 0 HB2 PRO A 69 7.490 14.557 7.655 1.00 2.74 H new ATOM 0 HB3 PRO A 69 9.080 15.221 7.974 1.00 2.74 H new ATOM 0 HG2 PRO A 69 8.125 13.701 5.619 1.00 2.56 H new ATOM 0 HG3 PRO A 69 9.468 14.820 5.744 1.00 2.56 H new ATOM 0 HD2 PRO A 69 9.910 12.171 5.482 1.00 2.06 H new ATOM 0 HD3 PRO A 69 10.966 13.150 6.481 1.00 2.06 H new ATOM 846 N GLN A 70 6.693 12.089 8.438 1.00 1.83 N ATOM 847 CA GLN A 70 5.500 11.469 8.989 1.00 1.81 C ATOM 848 C GLN A 70 5.238 10.166 8.256 1.00 1.42 C ATOM 849 O GLN A 70 5.648 10.007 7.104 1.00 1.30 O ATOM 850 CB GLN A 70 4.288 12.398 8.857 1.00 1.92 C ATOM 851 CG GLN A 70 3.776 12.557 7.434 1.00 1.65 C ATOM 852 CD GLN A 70 2.583 13.482 7.353 1.00 2.17 C ATOM 853 OE1 GLN A 70 2.728 14.687 7.154 1.00 2.65 O ATOM 854 NE2 GLN A 70 1.395 12.925 7.517 1.00 2.75 N ATOM 0 H GLN A 70 6.736 12.083 7.419 1.00 1.83 H new ATOM 0 HA GLN A 70 5.659 11.274 10.050 1.00 1.81 H new ATOM 0 HB2 GLN A 70 3.481 12.014 9.481 1.00 1.92 H new ATOM 0 HB3 GLN A 70 4.553 13.380 9.248 1.00 1.92 H new ATOM 0 HG2 GLN A 70 4.576 12.944 6.803 1.00 1.65 H new ATOM 0 HG3 GLN A 70 3.502 11.579 7.037 1.00 1.65 H new ATOM 0 HE21 GLN A 70 1.321 11.921 7.680 1.00 2.75 H new ATOM 0 HE22 GLN A 70 0.553 13.500 7.481 1.00 2.75 H new ATOM 863 N THR A 71 4.579 9.230 8.918 1.00 1.36 N ATOM 864 CA THR A 71 4.223 7.983 8.280 1.00 1.13 C ATOM 865 C THR A 71 3.129 8.220 7.244 1.00 0.86 C ATOM 866 O THR A 71 2.225 9.039 7.439 1.00 0.83 O ATOM 867 CB THR A 71 3.777 6.927 9.309 1.00 1.23 C ATOM 868 OG1 THR A 71 2.966 7.532 10.322 1.00 1.53 O ATOM 869 CG2 THR A 71 4.982 6.255 9.948 1.00 1.55 C ATOM 0 H THR A 71 4.283 9.313 9.891 1.00 1.36 H new ATOM 0 HA THR A 71 5.110 7.595 7.778 1.00 1.13 H new ATOM 0 HB THR A 71 3.191 6.170 8.787 1.00 1.23 H new ATOM 0 HG1 THR A 71 2.688 6.850 10.969 1.00 1.53 H new ATOM 0 HG21 THR A 71 4.644 5.513 10.671 1.00 1.55 H new ATOM 0 HG22 THR A 71 5.577 5.765 9.177 1.00 1.55 H new ATOM 0 HG23 THR A 71 5.590 7.004 10.454 1.00 1.55 H new ATOM 877 N LEU A 72 3.235 7.501 6.137 1.00 0.80 N ATOM 878 CA LEU A 72 2.406 7.746 4.965 1.00 0.65 C ATOM 879 C LEU A 72 0.916 7.440 5.169 1.00 0.65 C ATOM 880 O LEU A 72 0.099 8.057 4.502 1.00 0.66 O ATOM 881 CB LEU A 72 2.944 6.974 3.764 1.00 0.78 C ATOM 882 CG LEU A 72 4.397 7.285 3.404 1.00 0.97 C ATOM 883 CD1 LEU A 72 4.748 6.681 2.056 1.00 1.47 C ATOM 884 CD2 LEU A 72 4.639 8.787 3.408 1.00 1.79 C ATOM 0 H LEU A 72 3.896 6.733 6.025 1.00 0.80 H new ATOM 0 HA LEU A 72 2.466 8.819 4.780 1.00 0.65 H new ATOM 0 HB2 LEU A 72 2.854 5.907 3.966 1.00 0.78 H new ATOM 0 HB3 LEU A 72 2.316 7.189 2.900 1.00 0.78 H new ATOM 0 HG LEU A 72 5.046 6.838 4.157 1.00 0.97 H new ATOM 0 HD11 LEU A 72 5.785 6.911 1.813 1.00 1.47 H new ATOM 0 HD12 LEU A 72 4.616 5.600 2.096 1.00 1.47 H new ATOM 0 HD13 LEU A 72 4.095 7.098 1.289 1.00 1.47 H new ATOM 0 HD21 LEU A 72 5.679 8.989 3.150 1.00 1.79 H new ATOM 0 HD22 LEU A 72 3.985 9.263 2.678 1.00 1.79 H new ATOM 0 HD23 LEU A 72 4.428 9.187 4.400 1.00 1.79 H new ATOM 896 N PRO A 73 0.525 6.467 6.030 1.00 0.75 N ATOM 897 CA PRO A 73 -0.877 6.265 6.418 1.00 0.84 C ATOM 898 C PRO A 73 -1.675 7.566 6.565 1.00 0.80 C ATOM 899 O PRO A 73 -2.794 7.669 6.058 1.00 0.82 O ATOM 900 CB PRO A 73 -0.734 5.559 7.757 1.00 1.03 C ATOM 901 CG PRO A 73 0.465 4.696 7.579 1.00 1.07 C ATOM 902 CD PRO A 73 1.379 5.420 6.626 1.00 0.84 C ATOM 0 HA PRO A 73 -1.437 5.712 5.663 1.00 0.84 H new ATOM 0 HB2 PRO A 73 -0.597 6.270 8.571 1.00 1.03 H new ATOM 0 HB3 PRO A 73 -1.619 4.969 7.994 1.00 1.03 H new ATOM 0 HG2 PRO A 73 0.961 4.520 8.534 1.00 1.07 H new ATOM 0 HG3 PRO A 73 0.185 3.721 7.181 1.00 1.07 H new ATOM 0 HD2 PRO A 73 2.235 5.852 7.145 1.00 0.84 H new ATOM 0 HD3 PRO A 73 1.774 4.747 5.865 1.00 0.84 H new ATOM 910 N GLU A 74 -1.101 8.560 7.239 1.00 0.78 N ATOM 911 CA GLU A 74 -1.780 9.841 7.405 1.00 0.78 C ATOM 912 C GLU A 74 -1.789 10.620 6.090 1.00 0.64 C ATOM 913 O GLU A 74 -2.764 11.286 5.758 1.00 0.64 O ATOM 914 CB GLU A 74 -1.125 10.678 8.499 1.00 0.87 C ATOM 915 CG GLU A 74 -1.935 11.909 8.861 1.00 1.22 C ATOM 916 CD GLU A 74 -1.225 12.817 9.842 1.00 1.48 C ATOM 917 OE1 GLU A 74 -1.076 12.430 11.019 1.00 1.67 O ATOM 918 OE2 GLU A 74 -0.820 13.930 9.441 1.00 2.28 O ATOM 0 H GLU A 74 -0.180 8.505 7.673 1.00 0.78 H new ATOM 0 HA GLU A 74 -2.808 9.632 7.702 1.00 0.78 H new ATOM 0 HB2 GLU A 74 -0.990 10.063 9.389 1.00 0.87 H new ATOM 0 HB3 GLU A 74 -0.132 10.985 8.170 1.00 0.87 H new ATOM 0 HG2 GLU A 74 -2.160 12.469 7.953 1.00 1.22 H new ATOM 0 HG3 GLU A 74 -2.888 11.597 9.288 1.00 1.22 H new ATOM 925 N ILE A 75 -0.699 10.526 5.340 1.00 0.58 N ATOM 926 CA ILE A 75 -0.631 11.133 4.014 1.00 0.53 C ATOM 927 C ILE A 75 -1.730 10.566 3.125 1.00 0.49 C ATOM 928 O ILE A 75 -2.357 11.291 2.350 1.00 0.53 O ATOM 929 CB ILE A 75 0.746 10.896 3.346 1.00 0.60 C ATOM 930 CG1 ILE A 75 1.830 11.700 4.057 1.00 0.73 C ATOM 931 CG2 ILE A 75 0.705 11.252 1.864 1.00 0.68 C ATOM 932 CD1 ILE A 75 1.635 13.194 3.940 1.00 1.38 C ATOM 0 H ILE A 75 0.149 10.037 5.625 1.00 0.58 H new ATOM 0 HA ILE A 75 -0.769 12.207 4.136 1.00 0.53 H new ATOM 0 HB ILE A 75 0.984 9.836 3.433 1.00 0.60 H new ATOM 0 HG12 ILE A 75 1.846 11.423 5.111 1.00 0.73 H new ATOM 0 HG13 ILE A 75 2.802 11.433 3.643 1.00 0.73 H new ATOM 0 HG21 ILE A 75 1.685 11.076 1.420 1.00 0.68 H new ATOM 0 HG22 ILE A 75 -0.038 10.632 1.361 1.00 0.68 H new ATOM 0 HG23 ILE A 75 0.438 12.303 1.749 1.00 0.68 H new ATOM 0 HD11 ILE A 75 2.439 13.708 4.467 1.00 1.38 H new ATOM 0 HD12 ILE A 75 1.648 13.481 2.889 1.00 1.38 H new ATOM 0 HD13 ILE A 75 0.677 13.471 4.380 1.00 1.38 H new ATOM 944 N PHE A 76 -1.973 9.269 3.270 1.00 0.50 N ATOM 945 CA PHE A 76 -2.987 8.584 2.488 1.00 0.56 C ATOM 946 C PHE A 76 -4.363 9.193 2.737 1.00 0.60 C ATOM 947 O PHE A 76 -5.130 9.395 1.809 1.00 0.72 O ATOM 948 CB PHE A 76 -3.028 7.085 2.817 1.00 0.65 C ATOM 949 CG PHE A 76 -1.734 6.344 2.593 1.00 2.05 C ATOM 950 CD1 PHE A 76 -0.788 6.802 1.688 1.00 2.12 C ATOM 951 CD2 PHE A 76 -1.468 5.177 3.294 1.00 2.34 C ATOM 952 CE1 PHE A 76 0.394 6.109 1.492 1.00 2.24 C ATOM 953 CE2 PHE A 76 -0.290 4.482 3.099 1.00 2.34 C ATOM 954 CZ PHE A 76 0.641 4.950 2.197 1.00 2.36 C ATOM 0 H PHE A 76 -1.476 8.669 3.928 1.00 0.50 H new ATOM 0 HA PHE A 76 -2.723 8.705 1.438 1.00 0.56 H new ATOM 0 HB2 PHE A 76 -3.321 6.966 3.860 1.00 0.65 H new ATOM 0 HB3 PHE A 76 -3.805 6.618 2.213 1.00 0.65 H new ATOM 0 HD1 PHE A 76 -0.975 7.708 1.131 1.00 2.12 H new ATOM 0 HD2 PHE A 76 -2.193 4.806 4.003 1.00 2.34 H new ATOM 0 HE1 PHE A 76 1.124 6.477 0.786 1.00 2.24 H new ATOM 0 HE2 PHE A 76 -0.099 3.574 3.652 1.00 2.34 H new ATOM 0 HZ PHE A 76 1.563 4.409 2.042 1.00 2.36 H new ATOM 964 N GLU A 77 -4.667 9.497 3.991 1.00 0.63 N ATOM 965 CA GLU A 77 -5.980 10.034 4.337 1.00 0.73 C ATOM 966 C GLU A 77 -6.054 11.533 4.045 1.00 0.69 C ATOM 967 O GLU A 77 -7.136 12.078 3.816 1.00 0.80 O ATOM 968 CB GLU A 77 -6.301 9.769 5.814 1.00 0.90 C ATOM 969 CG GLU A 77 -5.431 10.549 6.783 1.00 1.56 C ATOM 970 CD GLU A 77 -5.743 10.245 8.230 1.00 1.94 C ATOM 971 OE1 GLU A 77 -5.217 9.247 8.758 1.00 2.41 O ATOM 972 OE2 GLU A 77 -6.520 11.003 8.849 1.00 2.52 O ATOM 0 H GLU A 77 -4.031 9.383 4.780 1.00 0.63 H new ATOM 0 HA GLU A 77 -6.721 9.526 3.720 1.00 0.73 H new ATOM 0 HB2 GLU A 77 -7.346 10.018 5.999 1.00 0.90 H new ATOM 0 HB3 GLU A 77 -6.186 8.704 6.015 1.00 0.90 H new ATOM 0 HG2 GLU A 77 -4.383 10.321 6.587 1.00 1.56 H new ATOM 0 HG3 GLU A 77 -5.564 11.616 6.604 1.00 1.56 H new ATOM 979 N ALA A 78 -4.900 12.187 4.042 1.00 0.61 N ATOM 980 CA ALA A 78 -4.834 13.634 3.887 1.00 0.62 C ATOM 981 C ALA A 78 -4.755 14.056 2.422 1.00 0.60 C ATOM 982 O ALA A 78 -5.673 14.686 1.901 1.00 0.65 O ATOM 983 CB ALA A 78 -3.639 14.184 4.655 1.00 0.64 C ATOM 0 H ALA A 78 -3.992 11.735 4.146 1.00 0.61 H new ATOM 0 HA ALA A 78 -5.756 14.049 4.294 1.00 0.62 H new ATOM 0 HB1 ALA A 78 -3.596 15.266 4.535 1.00 0.64 H new ATOM 0 HB2 ALA A 78 -3.743 13.940 5.712 1.00 0.64 H new ATOM 0 HB3 ALA A 78 -2.722 13.739 4.268 1.00 0.64 H new ATOM 989 N ALA A 79 -3.671 13.684 1.758 1.00 0.65 N ATOM 990 CA ALA A 79 -3.388 14.169 0.409 1.00 0.75 C ATOM 991 C ALA A 79 -4.339 13.575 -0.621 1.00 0.86 C ATOM 992 O ALA A 79 -4.623 14.190 -1.650 1.00 0.99 O ATOM 993 CB ALA A 79 -1.947 13.859 0.037 1.00 0.83 C ATOM 0 H ALA A 79 -2.968 13.045 2.130 1.00 0.65 H new ATOM 0 HA ALA A 79 -3.539 15.248 0.407 1.00 0.75 H new ATOM 0 HB1 ALA A 79 -1.745 14.224 -0.970 1.00 0.83 H new ATOM 0 HB2 ALA A 79 -1.276 14.349 0.742 1.00 0.83 H new ATOM 0 HB3 ALA A 79 -1.786 12.782 0.072 1.00 0.83 H new ATOM 999 N ALA A 80 -4.836 12.382 -0.338 1.00 0.91 N ATOM 1000 CA ALA A 80 -5.708 11.681 -1.267 1.00 1.12 C ATOM 1001 C ALA A 80 -7.114 12.266 -1.269 1.00 1.27 C ATOM 1002 O ALA A 80 -7.871 12.079 -2.219 1.00 1.56 O ATOM 1003 CB ALA A 80 -5.751 10.206 -0.923 1.00 1.25 C ATOM 0 H ALA A 80 -4.650 11.878 0.529 1.00 0.91 H new ATOM 0 HA ALA A 80 -5.300 11.805 -2.270 1.00 1.12 H new ATOM 0 HB1 ALA A 80 -6.406 9.688 -1.623 1.00 1.25 H new ATOM 0 HB2 ALA A 80 -4.747 9.788 -0.988 1.00 1.25 H new ATOM 0 HB3 ALA A 80 -6.131 10.080 0.091 1.00 1.25 H new ATOM 1009 N THR A 81 -7.460 12.985 -0.212 1.00 1.23 N ATOM 1010 CA THR A 81 -8.785 13.570 -0.100 1.00 1.46 C ATOM 1011 C THR A 81 -8.765 15.039 -0.508 1.00 1.63 C ATOM 1012 O THR A 81 -9.695 15.794 -0.215 1.00 1.89 O ATOM 1013 CB THR A 81 -9.338 13.432 1.333 1.00 1.60 C ATOM 1014 OG1 THR A 81 -8.384 13.929 2.283 1.00 2.33 O ATOM 1015 CG2 THR A 81 -9.666 11.982 1.650 1.00 1.65 C ATOM 0 H THR A 81 -6.843 13.176 0.577 1.00 1.23 H new ATOM 0 HA THR A 81 -9.442 13.024 -0.777 1.00 1.46 H new ATOM 0 HB THR A 81 -10.254 14.020 1.400 1.00 1.60 H new ATOM 0 HG1 THR A 81 -8.104 13.201 2.876 1.00 2.33 H new ATOM 0 HG21 THR A 81 -10.054 11.911 2.666 1.00 1.65 H new ATOM 0 HG22 THR A 81 -10.416 11.617 0.948 1.00 1.65 H new ATOM 0 HG23 THR A 81 -8.763 11.377 1.563 1.00 1.65 H new ATOM 1023 N GLY A 82 -7.695 15.438 -1.184 1.00 1.69 N ATOM 1024 CA GLY A 82 -7.578 16.802 -1.648 1.00 2.14 C ATOM 1025 C GLY A 82 -6.142 17.275 -1.681 1.00 2.00 C ATOM 1026 O GLY A 82 -5.436 17.209 -0.672 1.00 2.59 O ATOM 0 H GLY A 82 -6.905 14.837 -1.419 1.00 1.69 H new ATOM 0 HA2 GLY A 82 -8.008 16.882 -2.647 1.00 2.14 H new ATOM 0 HA3 GLY A 82 -8.159 17.456 -0.998 1.00 2.14 H new ATOM 1030 N LYS A 83 -5.706 17.741 -2.839 1.00 1.89 N ATOM 1031 CA LYS A 83 -4.361 18.271 -2.990 1.00 2.11 C ATOM 1032 C LYS A 83 -4.301 19.692 -2.444 1.00 2.84 C ATOM 1033 O LYS A 83 -4.810 20.609 -3.119 1.00 3.20 O ATOM 1034 CB LYS A 83 -3.935 18.250 -4.460 1.00 2.31 C ATOM 1035 CG LYS A 83 -2.519 18.753 -4.694 1.00 2.78 C ATOM 1036 CD LYS A 83 -2.198 18.876 -6.178 1.00 3.44 C ATOM 1037 CE LYS A 83 -2.248 17.533 -6.894 1.00 3.93 C ATOM 1038 NZ LYS A 83 -1.216 16.586 -6.391 1.00 4.41 N ATOM 1039 OXT LYS A 83 -3.752 19.890 -1.342 1.00 3.62 O ATOM 0 H LYS A 83 -6.266 17.763 -3.691 1.00 1.89 H new ATOM 0 HA LYS A 83 -3.672 17.643 -2.425 1.00 2.11 H new ATOM 0 HB2 LYS A 83 -4.016 17.231 -4.838 1.00 2.31 H new ATOM 0 HB3 LYS A 83 -4.628 18.861 -5.039 1.00 2.31 H new ATOM 0 HG2 LYS A 83 -2.395 19.724 -4.214 1.00 2.78 H new ATOM 0 HG3 LYS A 83 -1.809 18.072 -4.224 1.00 2.78 H new ATOM 0 HD2 LYS A 83 -2.906 19.561 -6.645 1.00 3.44 H new ATOM 0 HD3 LYS A 83 -1.206 19.312 -6.298 1.00 3.44 H new ATOM 0 HE2 LYS A 83 -3.236 17.092 -6.765 1.00 3.93 H new ATOM 0 HE3 LYS A 83 -2.105 17.688 -7.963 1.00 3.93 H new ATOM 0 HZ1 LYS A 83 -1.343 15.660 -6.847 1.00 4.41 H new ATOM 0 HZ2 LYS A 83 -0.269 16.954 -6.613 1.00 4.41 H new ATOM 0 HZ3 LYS A 83 -1.314 16.481 -5.361 1.00 4.41 H new TER 1053 LYS A 83 ATOM 1054 N MET B 15 -16.038 8.813 5.323 1.00 2.24 N ATOM 1055 CA MET B 15 -15.747 7.890 4.203 1.00 1.67 C ATOM 1056 C MET B 15 -14.377 7.262 4.385 1.00 1.40 C ATOM 1057 O MET B 15 -13.403 7.955 4.692 1.00 1.55 O ATOM 1058 CB MET B 15 -15.800 8.631 2.864 1.00 1.81 C ATOM 1059 CG MET B 15 -17.187 9.130 2.493 1.00 2.21 C ATOM 1060 SD MET B 15 -17.216 10.002 0.913 1.00 3.03 S ATOM 1061 CE MET B 15 -16.678 8.713 -0.207 1.00 3.68 C ATOM 0 HA MET B 15 -16.505 7.107 4.201 1.00 1.67 H new ATOM 0 HB2 MET B 15 -15.117 9.480 2.902 1.00 1.81 H new ATOM 0 HB3 MET B 15 -15.441 7.967 2.078 1.00 1.81 H new ATOM 0 HG2 MET B 15 -17.873 8.284 2.449 1.00 2.21 H new ATOM 0 HG3 MET B 15 -17.551 9.795 3.277 1.00 2.21 H new ATOM 0 HE1 MET B 15 -16.976 8.967 -1.224 1.00 3.68 H new ATOM 0 HE2 MET B 15 -15.593 8.619 -0.160 1.00 3.68 H new ATOM 0 HE3 MET B 15 -17.137 7.767 0.080 1.00 3.68 H new ATOM 1073 N ASP B 16 -14.303 5.952 4.196 1.00 1.24 N ATOM 1074 CA ASP B 16 -13.045 5.235 4.343 1.00 1.13 C ATOM 1075 C ASP B 16 -12.164 5.452 3.128 1.00 0.91 C ATOM 1076 O ASP B 16 -12.416 4.901 2.063 1.00 1.01 O ATOM 1077 CB ASP B 16 -13.278 3.732 4.538 1.00 1.39 C ATOM 1078 CG ASP B 16 -13.952 3.410 5.853 1.00 1.84 C ATOM 1079 OD1 ASP B 16 -13.256 3.374 6.890 1.00 2.42 O ATOM 1080 OD2 ASP B 16 -15.180 3.188 5.863 1.00 2.27 O ATOM 0 H ASP B 16 -15.098 5.365 3.941 1.00 1.24 H new ATOM 0 HA ASP B 16 -12.547 5.629 5.229 1.00 1.13 H new ATOM 0 HB2 ASP B 16 -13.890 3.354 3.719 1.00 1.39 H new ATOM 0 HB3 ASP B 16 -12.322 3.211 4.488 1.00 1.39 H new ATOM 1085 N ASN B 17 -11.132 6.262 3.281 1.00 0.78 N ATOM 1086 CA ASN B 17 -10.177 6.470 2.203 1.00 0.75 C ATOM 1087 C ASN B 17 -9.249 5.266 2.105 1.00 0.62 C ATOM 1088 O ASN B 17 -8.553 5.076 1.111 1.00 0.65 O ATOM 1089 CB ASN B 17 -9.372 7.752 2.431 1.00 0.93 C ATOM 1090 CG ASN B 17 -8.497 8.107 1.244 1.00 1.57 C ATOM 1091 OD1 ASN B 17 -8.947 8.764 0.307 1.00 2.52 O ATOM 1092 ND2 ASN B 17 -7.247 7.684 1.276 1.00 1.71 N ATOM 0 H ASN B 17 -10.933 6.784 4.134 1.00 0.78 H new ATOM 0 HA ASN B 17 -10.721 6.579 1.265 1.00 0.75 H new ATOM 0 HB2 ASN B 17 -10.056 8.576 2.633 1.00 0.93 H new ATOM 0 HB3 ASN B 17 -8.747 7.632 3.316 1.00 0.93 H new ATOM 0 HD21 ASN B 17 -6.616 7.900 0.505 1.00 1.71 H new ATOM 0 HD22 ASN B 17 -6.912 7.141 2.072 1.00 1.71 H new ATOM 1099 N LYS B 18 -9.272 4.444 3.148 1.00 0.59 N ATOM 1100 CA LYS B 18 -8.448 3.242 3.217 1.00 0.62 C ATOM 1101 C LYS B 18 -8.753 2.299 2.057 1.00 0.54 C ATOM 1102 O LYS B 18 -7.858 1.650 1.524 1.00 0.48 O ATOM 1103 CB LYS B 18 -8.669 2.514 4.551 1.00 0.82 C ATOM 1104 CG LYS B 18 -7.953 3.140 5.747 1.00 1.09 C ATOM 1105 CD LYS B 18 -8.417 4.565 6.020 1.00 1.04 C ATOM 1106 CE LYS B 18 -7.798 5.129 7.290 1.00 1.43 C ATOM 1107 NZ LYS B 18 -8.322 4.460 8.510 1.00 1.89 N ATOM 0 H LYS B 18 -9.861 4.591 3.968 1.00 0.59 H new ATOM 0 HA LYS B 18 -7.405 3.550 3.147 1.00 0.62 H new ATOM 0 HB2 LYS B 18 -9.738 2.484 4.760 1.00 0.82 H new ATOM 0 HB3 LYS B 18 -8.336 1.482 4.445 1.00 0.82 H new ATOM 0 HG2 LYS B 18 -8.127 2.528 6.632 1.00 1.09 H new ATOM 0 HG3 LYS B 18 -6.878 3.139 5.565 1.00 1.09 H new ATOM 0 HD2 LYS B 18 -8.154 5.201 5.175 1.00 1.04 H new ATOM 0 HD3 LYS B 18 -9.503 4.583 6.107 1.00 1.04 H new ATOM 0 HE2 LYS B 18 -6.715 5.011 7.249 1.00 1.43 H new ATOM 0 HE3 LYS B 18 -8.000 6.199 7.348 1.00 1.43 H new ATOM 0 HZ1 LYS B 18 -8.782 5.164 9.122 1.00 1.89 H new ATOM 0 HZ2 LYS B 18 -9.014 3.733 8.237 1.00 1.89 H new ATOM 0 HZ3 LYS B 18 -7.537 4.014 9.026 1.00 1.89 H new ATOM 1121 N LYS B 19 -10.016 2.240 1.657 1.00 0.61 N ATOM 1122 CA LYS B 19 -10.419 1.374 0.558 1.00 0.61 C ATOM 1123 C LYS B 19 -9.892 1.910 -0.772 1.00 0.53 C ATOM 1124 O LYS B 19 -9.437 1.146 -1.619 1.00 0.55 O ATOM 1125 CB LYS B 19 -11.943 1.225 0.522 1.00 0.77 C ATOM 1126 CG LYS B 19 -12.688 2.530 0.291 1.00 0.82 C ATOM 1127 CD LYS B 19 -14.189 2.360 0.456 1.00 1.20 C ATOM 1128 CE LYS B 19 -14.749 1.351 -0.530 1.00 1.06 C ATOM 1129 NZ LYS B 19 -16.220 1.190 -0.391 1.00 1.49 N ATOM 0 H LYS B 19 -10.775 2.778 2.074 1.00 0.61 H new ATOM 0 HA LYS B 19 -9.985 0.387 0.720 1.00 0.61 H new ATOM 0 HB2 LYS B 19 -12.210 0.522 -0.267 1.00 0.77 H new ATOM 0 HB3 LYS B 19 -12.277 0.790 1.464 1.00 0.77 H new ATOM 0 HG2 LYS B 19 -12.328 3.283 0.992 1.00 0.82 H new ATOM 0 HG3 LYS B 19 -12.472 2.899 -0.712 1.00 0.82 H new ATOM 0 HD2 LYS B 19 -14.409 2.036 1.473 1.00 1.20 H new ATOM 0 HD3 LYS B 19 -14.682 3.321 0.313 1.00 1.20 H new ATOM 0 HE2 LYS B 19 -14.514 1.669 -1.546 1.00 1.06 H new ATOM 0 HE3 LYS B 19 -14.263 0.387 -0.377 1.00 1.06 H new ATOM 0 HZ1 LYS B 19 -16.560 0.492 -1.083 1.00 1.49 H new ATOM 0 HZ2 LYS B 19 -16.444 0.862 0.570 1.00 1.49 H new ATOM 0 HZ3 LYS B 19 -16.687 2.103 -0.563 1.00 1.49 H new ATOM 1143 N ARG B 20 -9.915 3.232 -0.929 1.00 0.55 N ATOM 1144 CA ARG B 20 -9.423 3.862 -2.150 1.00 0.59 C ATOM 1145 C ARG B 20 -7.901 3.811 -2.184 1.00 0.55 C ATOM 1146 O ARG B 20 -7.275 3.920 -3.241 1.00 0.61 O ATOM 1147 CB ARG B 20 -9.913 5.308 -2.253 1.00 0.70 C ATOM 1148 CG ARG B 20 -11.428 5.431 -2.262 1.00 0.82 C ATOM 1149 CD ARG B 20 -11.881 6.857 -2.535 1.00 1.01 C ATOM 1150 NE ARG B 20 -11.366 7.804 -1.544 1.00 1.31 N ATOM 1151 CZ ARG B 20 -11.995 8.924 -1.185 1.00 1.46 C ATOM 1152 NH1 ARG B 20 -13.163 9.243 -1.733 1.00 1.33 N ATOM 1153 NH2 ARG B 20 -11.447 9.736 -0.291 1.00 2.34 N ATOM 0 H ARG B 20 -10.268 3.884 -0.229 1.00 0.55 H new ATOM 0 HA ARG B 20 -9.815 3.312 -3.006 1.00 0.59 H new ATOM 0 HB2 ARG B 20 -9.514 5.880 -1.415 1.00 0.70 H new ATOM 0 HB3 ARG B 20 -9.514 5.755 -3.163 1.00 0.70 H new ATOM 0 HG2 ARG B 20 -11.841 4.767 -3.022 1.00 0.82 H new ATOM 0 HG3 ARG B 20 -11.824 5.102 -1.301 1.00 0.82 H new ATOM 0 HD2 ARG B 20 -11.548 7.158 -3.528 1.00 1.01 H new ATOM 0 HD3 ARG B 20 -12.970 6.895 -2.539 1.00 1.01 H new ATOM 0 HE ARG B 20 -10.471 7.594 -1.101 1.00 1.31 H new ATOM 0 HH11 ARG B 20 -13.583 8.630 -2.432 1.00 1.33 H new ATOM 0 HH12 ARG B 20 -13.640 10.101 -1.455 1.00 1.33 H new ATOM 0 HH21 ARG B 20 -10.544 9.504 0.123 1.00 2.34 H new ATOM 0 HH22 ARG B 20 -11.929 10.592 -0.017 1.00 2.34 H new ATOM 1167 N LEU B 21 -7.314 3.656 -1.009 1.00 0.54 N ATOM 1168 CA LEU B 21 -5.889 3.414 -0.884 1.00 0.58 C ATOM 1169 C LEU B 21 -5.530 2.103 -1.572 1.00 0.57 C ATOM 1170 O LEU B 21 -4.514 1.999 -2.259 1.00 0.64 O ATOM 1171 CB LEU B 21 -5.504 3.373 0.599 1.00 0.64 C ATOM 1172 CG LEU B 21 -4.103 2.848 0.916 1.00 0.60 C ATOM 1173 CD1 LEU B 21 -3.039 3.722 0.269 1.00 0.70 C ATOM 1174 CD2 LEU B 21 -3.897 2.783 2.421 1.00 0.61 C ATOM 0 H LEU B 21 -7.811 3.694 -0.119 1.00 0.54 H new ATOM 0 HA LEU B 21 -5.335 4.220 -1.365 1.00 0.58 H new ATOM 0 HB2 LEU B 21 -5.593 4.381 1.004 1.00 0.64 H new ATOM 0 HB3 LEU B 21 -6.230 2.753 1.125 1.00 0.64 H new ATOM 0 HG LEU B 21 -4.010 1.843 0.505 1.00 0.60 H new ATOM 0 HD11 LEU B 21 -2.051 3.329 0.508 1.00 0.70 H new ATOM 0 HD12 LEU B 21 -3.177 3.723 -0.812 1.00 0.70 H new ATOM 0 HD13 LEU B 21 -3.126 4.741 0.647 1.00 0.70 H new ATOM 0 HD21 LEU B 21 -2.896 2.408 2.635 1.00 0.61 H new ATOM 0 HD22 LEU B 21 -4.010 3.780 2.847 1.00 0.61 H new ATOM 0 HD23 LEU B 21 -4.637 2.115 2.861 1.00 0.61 H new ATOM 1186 N ALA B 22 -6.403 1.120 -1.411 1.00 0.55 N ATOM 1187 CA ALA B 22 -6.182 -0.208 -1.954 1.00 0.63 C ATOM 1188 C ALA B 22 -6.161 -0.205 -3.474 1.00 0.51 C ATOM 1189 O ALA B 22 -5.196 -0.670 -4.077 1.00 0.44 O ATOM 1190 CB ALA B 22 -7.247 -1.160 -1.457 1.00 0.83 C ATOM 0 H ALA B 22 -7.281 1.222 -0.902 1.00 0.55 H new ATOM 0 HA ALA B 22 -5.203 -0.542 -1.609 1.00 0.63 H new ATOM 0 HB1 ALA B 22 -7.070 -2.152 -1.871 1.00 0.83 H new ATOM 0 HB2 ALA B 22 -7.212 -1.210 -0.369 1.00 0.83 H new ATOM 0 HB3 ALA B 22 -8.228 -0.805 -1.772 1.00 0.83 H new ATOM 1196 N TYR B 23 -7.220 0.323 -4.091 1.00 0.62 N ATOM 1197 CA TYR B 23 -7.353 0.258 -5.544 1.00 0.75 C ATOM 1198 C TYR B 23 -6.158 0.921 -6.220 1.00 0.66 C ATOM 1199 O TYR B 23 -5.639 0.417 -7.212 1.00 0.66 O ATOM 1200 CB TYR B 23 -8.677 0.897 -6.024 1.00 1.10 C ATOM 1201 CG TYR B 23 -8.554 2.319 -6.553 1.00 1.02 C ATOM 1202 CD1 TYR B 23 -8.169 2.563 -7.868 1.00 1.46 C ATOM 1203 CD2 TYR B 23 -8.819 3.412 -5.741 1.00 1.86 C ATOM 1204 CE1 TYR B 23 -8.049 3.850 -8.351 1.00 1.83 C ATOM 1205 CE2 TYR B 23 -8.700 4.704 -6.216 1.00 2.48 C ATOM 1206 CZ TYR B 23 -8.315 4.916 -7.522 1.00 2.22 C ATOM 1207 OH TYR B 23 -8.185 6.201 -7.999 1.00 2.99 O ATOM 0 H TYR B 23 -7.988 0.794 -3.613 1.00 0.62 H new ATOM 0 HA TYR B 23 -7.375 -0.794 -5.828 1.00 0.75 H new ATOM 0 HB2 TYR B 23 -9.102 0.270 -6.808 1.00 1.10 H new ATOM 0 HB3 TYR B 23 -9.385 0.894 -5.195 1.00 1.10 H new ATOM 0 HD1 TYR B 23 -7.960 1.730 -8.522 1.00 1.46 H new ATOM 0 HD2 TYR B 23 -9.124 3.250 -4.718 1.00 1.86 H new ATOM 0 HE1 TYR B 23 -7.748 4.020 -9.374 1.00 1.83 H new ATOM 0 HE2 TYR B 23 -8.907 5.543 -5.568 1.00 2.48 H new ATOM 0 HH TYR B 23 -7.898 6.175 -8.936 1.00 2.99 H new ATOM 1217 N ALA B 24 -5.712 2.037 -5.657 1.00 0.72 N ATOM 1218 CA ALA B 24 -4.609 2.793 -6.227 1.00 0.87 C ATOM 1219 C ALA B 24 -3.321 1.980 -6.199 1.00 0.75 C ATOM 1220 O ALA B 24 -2.530 2.010 -7.142 1.00 0.84 O ATOM 1221 CB ALA B 24 -4.439 4.102 -5.478 1.00 1.14 C ATOM 0 H ALA B 24 -6.100 2.438 -4.803 1.00 0.72 H new ATOM 0 HA ALA B 24 -4.838 3.014 -7.270 1.00 0.87 H new ATOM 0 HB1 ALA B 24 -3.611 4.664 -5.910 1.00 1.14 H new ATOM 0 HB2 ALA B 24 -5.355 4.688 -5.557 1.00 1.14 H new ATOM 0 HB3 ALA B 24 -4.229 3.896 -4.428 1.00 1.14 H new ATOM 1227 N ILE B 25 -3.135 1.242 -5.119 1.00 0.63 N ATOM 1228 CA ILE B 25 -1.977 0.374 -4.963 1.00 0.71 C ATOM 1229 C ILE B 25 -2.092 -0.823 -5.898 1.00 0.61 C ATOM 1230 O ILE B 25 -1.128 -1.189 -6.571 1.00 0.66 O ATOM 1231 CB ILE B 25 -1.833 -0.114 -3.502 1.00 0.80 C ATOM 1232 CG1 ILE B 25 -1.549 1.072 -2.578 1.00 0.97 C ATOM 1233 CG2 ILE B 25 -0.732 -1.158 -3.381 1.00 0.91 C ATOM 1234 CD1 ILE B 25 -1.455 0.695 -1.116 1.00 0.89 C ATOM 0 H ILE B 25 -3.778 1.226 -4.328 1.00 0.63 H new ATOM 0 HA ILE B 25 -1.088 0.951 -5.218 1.00 0.71 H new ATOM 0 HB ILE B 25 -2.772 -0.580 -3.202 1.00 0.80 H new ATOM 0 HG12 ILE B 25 -0.615 1.543 -2.883 1.00 0.97 H new ATOM 0 HG13 ILE B 25 -2.337 1.815 -2.703 1.00 0.97 H new ATOM 0 HG21 ILE B 25 -0.652 -1.484 -2.344 1.00 0.91 H new ATOM 0 HG22 ILE B 25 -0.971 -2.014 -4.013 1.00 0.91 H new ATOM 0 HG23 ILE B 25 0.216 -0.725 -3.699 1.00 0.91 H new ATOM 0 HD11 ILE B 25 -1.252 1.587 -0.523 1.00 0.89 H new ATOM 0 HD12 ILE B 25 -2.397 0.251 -0.793 1.00 0.89 H new ATOM 0 HD13 ILE B 25 -0.648 -0.025 -0.977 1.00 0.89 H new ATOM 1246 N ILE B 26 -3.283 -1.408 -5.949 1.00 0.53 N ATOM 1247 CA ILE B 26 -3.563 -2.526 -6.843 1.00 0.53 C ATOM 1248 C ILE B 26 -3.253 -2.148 -8.287 1.00 0.51 C ATOM 1249 O ILE B 26 -2.558 -2.873 -8.993 1.00 0.53 O ATOM 1250 CB ILE B 26 -5.040 -2.968 -6.735 1.00 0.58 C ATOM 1251 CG1 ILE B 26 -5.321 -3.551 -5.348 1.00 0.67 C ATOM 1252 CG2 ILE B 26 -5.385 -3.977 -7.825 1.00 0.62 C ATOM 1253 CD1 ILE B 26 -6.777 -3.883 -5.112 1.00 0.78 C ATOM 0 H ILE B 26 -4.077 -1.123 -5.376 1.00 0.53 H new ATOM 0 HA ILE B 26 -2.924 -3.356 -6.542 1.00 0.53 H new ATOM 0 HB ILE B 26 -5.672 -2.091 -6.876 1.00 0.58 H new ATOM 0 HG12 ILE B 26 -4.725 -4.454 -5.216 1.00 0.67 H new ATOM 0 HG13 ILE B 26 -4.992 -2.839 -4.591 1.00 0.67 H new ATOM 0 HG21 ILE B 26 -6.429 -4.274 -7.729 1.00 0.62 H new ATOM 0 HG22 ILE B 26 -5.225 -3.524 -8.804 1.00 0.62 H new ATOM 0 HG23 ILE B 26 -4.748 -4.855 -7.723 1.00 0.62 H new ATOM 0 HD11 ILE B 26 -6.899 -4.291 -4.109 1.00 0.78 H new ATOM 0 HD12 ILE B 26 -7.377 -2.979 -5.211 1.00 0.78 H new ATOM 0 HD13 ILE B 26 -7.106 -4.619 -5.846 1.00 0.78 H new ATOM 1265 N GLN B 27 -3.761 -0.995 -8.703 1.00 0.54 N ATOM 1266 CA GLN B 27 -3.567 -0.502 -10.060 1.00 0.62 C ATOM 1267 C GLN B 27 -2.087 -0.341 -10.397 1.00 0.55 C ATOM 1268 O GLN B 27 -1.641 -0.728 -11.478 1.00 0.57 O ATOM 1269 CB GLN B 27 -4.295 0.833 -10.230 1.00 0.79 C ATOM 1270 CG GLN B 27 -5.810 0.695 -10.238 1.00 0.89 C ATOM 1271 CD GLN B 27 -6.309 -0.244 -11.321 1.00 1.10 C ATOM 1272 OE1 GLN B 27 -5.703 -0.363 -12.390 1.00 1.58 O ATOM 1273 NE2 GLN B 27 -7.406 -0.932 -11.047 1.00 1.34 N ATOM 0 H GLN B 27 -4.317 -0.377 -8.112 1.00 0.54 H new ATOM 0 HA GLN B 27 -3.982 -1.237 -10.749 1.00 0.62 H new ATOM 0 HB2 GLN B 27 -4.002 1.504 -9.422 1.00 0.79 H new ATOM 0 HB3 GLN B 27 -3.974 1.298 -11.162 1.00 0.79 H new ATOM 0 HG2 GLN B 27 -6.142 0.330 -9.266 1.00 0.89 H new ATOM 0 HG3 GLN B 27 -6.259 1.678 -10.380 1.00 0.89 H new ATOM 0 HE21 GLN B 27 -7.877 -0.805 -10.151 1.00 1.34 H new ATOM 0 HE22 GLN B 27 -7.780 -1.589 -11.731 1.00 1.34 H new ATOM 1282 N PHE B 28 -1.328 0.214 -9.463 1.00 0.52 N ATOM 1283 CA PHE B 28 0.095 0.446 -9.672 1.00 0.51 C ATOM 1284 C PHE B 28 0.870 -0.862 -9.654 1.00 0.43 C ATOM 1285 O PHE B 28 1.602 -1.172 -10.593 1.00 0.42 O ATOM 1286 CB PHE B 28 0.633 1.392 -8.602 1.00 0.60 C ATOM 1287 CG PHE B 28 2.113 1.644 -8.680 1.00 0.90 C ATOM 1288 CD1 PHE B 28 2.684 2.159 -9.834 1.00 1.60 C ATOM 1289 CD2 PHE B 28 2.928 1.376 -7.594 1.00 1.62 C ATOM 1290 CE1 PHE B 28 4.042 2.398 -9.900 1.00 1.98 C ATOM 1291 CE2 PHE B 28 4.287 1.613 -7.655 1.00 1.96 C ATOM 1292 CZ PHE B 28 4.844 2.125 -8.810 1.00 1.83 C ATOM 0 H PHE B 28 -1.674 0.513 -8.551 1.00 0.52 H new ATOM 0 HA PHE B 28 0.226 0.904 -10.653 1.00 0.51 H new ATOM 0 HB2 PHE B 28 0.110 2.345 -8.682 1.00 0.60 H new ATOM 0 HB3 PHE B 28 0.398 0.981 -7.620 1.00 0.60 H new ATOM 0 HD1 PHE B 28 2.061 2.375 -10.689 1.00 1.60 H new ATOM 0 HD2 PHE B 28 2.496 0.977 -6.688 1.00 1.62 H new ATOM 0 HE1 PHE B 28 4.477 2.798 -10.804 1.00 1.98 H new ATOM 0 HE2 PHE B 28 4.913 1.398 -6.801 1.00 1.96 H new ATOM 0 HZ PHE B 28 5.907 2.312 -8.861 1.00 1.83 H new ATOM 1302 N LEU B 29 0.694 -1.633 -8.588 1.00 0.45 N ATOM 1303 CA LEU B 29 1.392 -2.906 -8.437 1.00 0.45 C ATOM 1304 C LEU B 29 1.057 -3.860 -9.577 1.00 0.45 C ATOM 1305 O LEU B 29 1.888 -4.673 -9.967 1.00 0.48 O ATOM 1306 CB LEU B 29 1.065 -3.555 -7.089 1.00 0.53 C ATOM 1307 CG LEU B 29 2.000 -3.183 -5.931 1.00 0.59 C ATOM 1308 CD1 LEU B 29 2.025 -1.679 -5.701 1.00 0.57 C ATOM 1309 CD2 LEU B 29 1.582 -3.911 -4.664 1.00 0.70 C ATOM 0 H LEU B 29 0.073 -1.399 -7.813 1.00 0.45 H new ATOM 0 HA LEU B 29 2.461 -2.698 -8.471 1.00 0.45 H new ATOM 0 HB2 LEU B 29 0.047 -3.282 -6.812 1.00 0.53 H new ATOM 0 HB3 LEU B 29 1.083 -4.638 -7.213 1.00 0.53 H new ATOM 0 HG LEU B 29 3.010 -3.494 -6.199 1.00 0.59 H new ATOM 0 HD11 LEU B 29 2.697 -1.449 -4.874 1.00 0.57 H new ATOM 0 HD12 LEU B 29 2.376 -1.179 -6.604 1.00 0.57 H new ATOM 0 HD13 LEU B 29 1.020 -1.331 -5.460 1.00 0.57 H new ATOM 0 HD21 LEU B 29 2.253 -3.639 -3.850 1.00 0.70 H new ATOM 0 HD22 LEU B 29 0.562 -3.630 -4.403 1.00 0.70 H new ATOM 0 HD23 LEU B 29 1.631 -4.987 -4.830 1.00 0.70 H new ATOM 1321 N HIS B 30 -0.156 -3.751 -10.108 1.00 0.47 N ATOM 1322 CA HIS B 30 -0.573 -4.535 -11.267 1.00 0.53 C ATOM 1323 C HIS B 30 0.384 -4.322 -12.438 1.00 0.48 C ATOM 1324 O HIS B 30 0.975 -5.269 -12.959 1.00 0.49 O ATOM 1325 CB HIS B 30 -2.000 -4.140 -11.674 1.00 0.67 C ATOM 1326 CG HIS B 30 -2.459 -4.711 -12.984 1.00 0.94 C ATOM 1327 ND1 HIS B 30 -2.430 -3.995 -14.163 1.00 1.11 N ATOM 1328 CD2 HIS B 30 -2.973 -5.925 -13.293 1.00 1.18 C ATOM 1329 CE1 HIS B 30 -2.911 -4.742 -15.138 1.00 1.38 C ATOM 1330 NE2 HIS B 30 -3.247 -5.917 -14.639 1.00 1.41 N ATOM 0 H HIS B 30 -0.874 -3.121 -9.751 1.00 0.47 H new ATOM 0 HA HIS B 30 -0.554 -5.591 -10.998 1.00 0.53 H new ATOM 0 HB2 HIS B 30 -2.688 -4.461 -10.892 1.00 0.67 H new ATOM 0 HB3 HIS B 30 -2.061 -3.053 -11.726 1.00 0.67 H new ATOM 0 HD1 HIS B 30 -2.090 -3.039 -14.265 1.00 1.11 H new ATOM 0 HD2 HIS B 30 -3.137 -6.745 -12.610 1.00 1.18 H new ATOM 0 HE1 HIS B 30 -3.013 -4.443 -16.171 1.00 1.38 H new ATOM 1339 N ASP B 31 0.537 -3.070 -12.837 1.00 0.48 N ATOM 1340 CA ASP B 31 1.368 -2.731 -13.982 1.00 0.52 C ATOM 1341 C ASP B 31 2.846 -2.852 -13.636 1.00 0.45 C ATOM 1342 O ASP B 31 3.655 -3.255 -14.469 1.00 0.50 O ATOM 1343 CB ASP B 31 1.035 -1.323 -14.480 1.00 0.63 C ATOM 1344 CG ASP B 31 -0.329 -1.257 -15.144 1.00 1.24 C ATOM 1345 OD1 ASP B 31 -1.350 -1.481 -14.458 1.00 1.79 O ATOM 1346 OD2 ASP B 31 -0.389 -0.979 -16.362 1.00 1.98 O ATOM 0 H ASP B 31 0.096 -2.270 -12.384 1.00 0.48 H new ATOM 0 HA ASP B 31 1.156 -3.438 -14.784 1.00 0.52 H new ATOM 0 HB2 ASP B 31 1.063 -0.627 -13.642 1.00 0.63 H new ATOM 0 HB3 ASP B 31 1.798 -1.000 -15.188 1.00 0.63 H new ATOM 1351 N GLN B 32 3.189 -2.521 -12.398 1.00 0.42 N ATOM 1352 CA GLN B 32 4.554 -2.679 -11.900 1.00 0.44 C ATOM 1353 C GLN B 32 4.983 -4.143 -11.968 1.00 0.38 C ATOM 1354 O GLN B 32 6.118 -4.456 -12.338 1.00 0.43 O ATOM 1355 CB GLN B 32 4.644 -2.165 -10.462 1.00 0.52 C ATOM 1356 CG GLN B 32 5.962 -2.445 -9.773 1.00 0.57 C ATOM 1357 CD GLN B 32 5.922 -1.970 -8.346 1.00 1.17 C ATOM 1358 OE1 GLN B 32 6.380 -0.876 -8.027 1.00 1.93 O ATOM 1359 NE2 GLN B 32 5.311 -2.764 -7.488 1.00 1.31 N ATOM 0 H GLN B 32 2.537 -2.138 -11.714 1.00 0.42 H new ATOM 0 HA GLN B 32 5.227 -2.096 -12.529 1.00 0.44 H new ATOM 0 HB2 GLN B 32 4.472 -1.089 -10.464 1.00 0.52 H new ATOM 0 HB3 GLN B 32 3.841 -2.616 -9.878 1.00 0.52 H new ATOM 0 HG2 GLN B 32 6.174 -3.514 -9.801 1.00 0.57 H new ATOM 0 HG3 GLN B 32 6.771 -1.946 -10.306 1.00 0.57 H new ATOM 0 HE21 GLN B 32 4.946 -3.665 -7.798 1.00 1.31 H new ATOM 0 HE22 GLN B 32 5.204 -2.477 -6.515 1.00 1.31 H new ATOM 1368 N LEU B 33 4.063 -5.032 -11.613 1.00 0.37 N ATOM 1369 CA LEU B 33 4.301 -6.469 -11.678 1.00 0.42 C ATOM 1370 C LEU B 33 4.546 -6.885 -13.124 1.00 0.46 C ATOM 1371 O LEU B 33 5.489 -7.616 -13.421 1.00 0.53 O ATOM 1372 CB LEU B 33 3.093 -7.218 -11.080 1.00 0.53 C ATOM 1373 CG LEU B 33 3.224 -8.741 -10.911 1.00 0.80 C ATOM 1374 CD1 LEU B 33 2.979 -9.471 -12.224 1.00 1.22 C ATOM 1375 CD2 LEU B 33 4.589 -9.102 -10.351 1.00 0.83 C ATOM 0 H LEU B 33 3.135 -4.779 -11.273 1.00 0.37 H new ATOM 0 HA LEU B 33 5.187 -6.725 -11.096 1.00 0.42 H new ATOM 0 HB2 LEU B 33 2.878 -6.787 -10.102 1.00 0.53 H new ATOM 0 HB3 LEU B 33 2.227 -7.021 -11.712 1.00 0.53 H new ATOM 0 HG LEU B 33 2.459 -9.061 -10.203 1.00 0.80 H new ATOM 0 HD11 LEU B 33 3.080 -10.545 -12.067 1.00 1.22 H new ATOM 0 HD12 LEU B 33 1.974 -9.249 -12.582 1.00 1.22 H new ATOM 0 HD13 LEU B 33 3.708 -9.142 -12.965 1.00 1.22 H new ATOM 0 HD21 LEU B 33 4.662 -10.184 -10.239 1.00 0.83 H new ATOM 0 HD22 LEU B 33 5.365 -8.755 -11.033 1.00 0.83 H new ATOM 0 HD23 LEU B 33 4.721 -8.627 -9.379 1.00 0.83 H new ATOM 1387 N ARG B 34 3.709 -6.381 -14.020 1.00 0.47 N ATOM 1388 CA ARG B 34 3.790 -6.728 -15.432 1.00 0.59 C ATOM 1389 C ARG B 34 5.074 -6.188 -16.060 1.00 0.58 C ATOM 1390 O ARG B 34 5.550 -6.707 -17.069 1.00 0.69 O ATOM 1391 CB ARG B 34 2.569 -6.176 -16.174 1.00 0.70 C ATOM 1392 CG ARG B 34 2.430 -6.686 -17.600 1.00 1.41 C ATOM 1393 CD ARG B 34 2.317 -8.202 -17.638 1.00 1.46 C ATOM 1394 NE ARG B 34 1.236 -8.691 -16.787 1.00 2.18 N ATOM 1395 CZ ARG B 34 1.009 -9.976 -16.528 1.00 2.53 C ATOM 1396 NH1 ARG B 34 1.776 -10.914 -17.070 1.00 2.19 N ATOM 1397 NH2 ARG B 34 0.011 -10.322 -15.727 1.00 3.50 N ATOM 0 H ARG B 34 2.961 -5.726 -13.792 1.00 0.47 H new ATOM 0 HA ARG B 34 3.804 -7.815 -15.517 1.00 0.59 H new ATOM 0 HB2 ARG B 34 1.669 -6.436 -15.616 1.00 0.70 H new ATOM 0 HB3 ARG B 34 2.629 -5.088 -16.192 1.00 0.70 H new ATOM 0 HG2 ARG B 34 1.548 -6.242 -18.063 1.00 1.41 H new ATOM 0 HG3 ARG B 34 3.292 -6.369 -18.187 1.00 1.41 H new ATOM 0 HD2 ARG B 34 2.146 -8.527 -18.664 1.00 1.46 H new ATOM 0 HD3 ARG B 34 3.260 -8.644 -17.316 1.00 1.46 H new ATOM 0 HE ARG B 34 0.614 -8.002 -16.363 1.00 2.18 H new ATOM 0 HH11 ARG B 34 2.544 -10.651 -17.688 1.00 2.19 H new ATOM 0 HH12 ARG B 34 1.598 -11.898 -16.868 1.00 2.19 H new ATOM 0 HH21 ARG B 34 -0.581 -9.604 -15.311 1.00 3.50 H new ATOM 0 HH22 ARG B 34 -0.165 -11.307 -15.527 1.00 3.50 H new ATOM 1411 N HIS B 35 5.633 -5.146 -15.460 1.00 0.53 N ATOM 1412 CA HIS B 35 6.842 -4.521 -15.988 1.00 0.59 C ATOM 1413 C HIS B 35 8.093 -5.089 -15.330 1.00 0.58 C ATOM 1414 O HIS B 35 9.213 -4.723 -15.685 1.00 0.74 O ATOM 1415 CB HIS B 35 6.805 -3.002 -15.793 1.00 0.59 C ATOM 1416 CG HIS B 35 5.703 -2.320 -16.544 1.00 1.17 C ATOM 1417 ND1 HIS B 35 5.229 -1.069 -16.213 1.00 1.99 N ATOM 1418 CD2 HIS B 35 4.980 -2.720 -17.617 1.00 1.62 C ATOM 1419 CE1 HIS B 35 4.263 -0.733 -17.047 1.00 2.69 C ATOM 1420 NE2 HIS B 35 4.095 -1.715 -17.906 1.00 2.43 N ATOM 0 H HIS B 35 5.271 -4.715 -14.609 1.00 0.53 H new ATOM 0 HA HIS B 35 6.878 -4.742 -17.055 1.00 0.59 H new ATOM 0 HB2 HIS B 35 6.696 -2.785 -14.730 1.00 0.59 H new ATOM 0 HB3 HIS B 35 7.760 -2.582 -16.108 1.00 0.59 H new ATOM 0 HD2 HIS B 35 5.082 -3.656 -18.146 1.00 1.62 H new ATOM 0 HE1 HIS B 35 3.705 0.191 -17.028 1.00 2.69 H new ATOM 0 HE2 HIS B 35 3.415 -1.726 -18.666 1.00 2.43 H new ATOM 1429 N GLY B 36 7.890 -5.983 -14.365 1.00 0.49 N ATOM 1430 CA GLY B 36 9.002 -6.588 -13.658 1.00 0.51 C ATOM 1431 C GLY B 36 9.804 -5.576 -12.865 1.00 0.47 C ATOM 1432 O GLY B 36 11.032 -5.626 -12.847 1.00 0.53 O ATOM 0 H GLY B 36 6.969 -6.299 -14.060 1.00 0.49 H new ATOM 0 HA2 GLY B 36 8.625 -7.357 -12.984 1.00 0.51 H new ATOM 0 HA3 GLY B 36 9.656 -7.085 -14.374 1.00 0.51 H new ATOM 1436 N GLY B 37 9.101 -4.655 -12.209 1.00 0.41 N ATOM 1437 CA GLY B 37 9.760 -3.599 -11.456 1.00 0.40 C ATOM 1438 C GLY B 37 10.664 -4.125 -10.357 1.00 0.39 C ATOM 1439 O GLY B 37 11.814 -3.698 -10.233 1.00 0.53 O ATOM 0 H GLY B 37 8.082 -4.621 -12.186 1.00 0.41 H new ATOM 0 HA2 GLY B 37 10.348 -2.987 -12.140 1.00 0.40 H new ATOM 0 HA3 GLY B 37 9.004 -2.949 -11.016 1.00 0.40 H new ATOM 1443 N LEU B 38 10.147 -5.047 -9.558 1.00 0.36 N ATOM 1444 CA LEU B 38 10.916 -5.623 -8.460 1.00 0.41 C ATOM 1445 C LEU B 38 11.621 -6.909 -8.899 1.00 0.49 C ATOM 1446 O LEU B 38 11.554 -7.289 -10.071 1.00 0.83 O ATOM 1447 CB LEU B 38 10.014 -5.903 -7.247 1.00 0.44 C ATOM 1448 CG LEU B 38 9.559 -4.678 -6.435 1.00 0.44 C ATOM 1449 CD1 LEU B 38 10.755 -3.891 -5.921 1.00 0.51 C ATOM 1450 CD2 LEU B 38 8.647 -3.777 -7.252 1.00 0.47 C ATOM 0 H LEU B 38 9.199 -5.413 -9.648 1.00 0.36 H new ATOM 0 HA LEU B 38 11.674 -4.895 -8.170 1.00 0.41 H new ATOM 0 HB2 LEU B 38 9.126 -6.430 -7.596 1.00 0.44 H new ATOM 0 HB3 LEU B 38 10.544 -6.580 -6.576 1.00 0.44 H new ATOM 0 HG LEU B 38 8.992 -5.047 -5.580 1.00 0.44 H new ATOM 0 HD11 LEU B 38 10.406 -3.030 -5.350 1.00 0.51 H new ATOM 0 HD12 LEU B 38 11.362 -4.530 -5.280 1.00 0.51 H new ATOM 0 HD13 LEU B 38 11.355 -3.548 -6.764 1.00 0.51 H new ATOM 0 HD21 LEU B 38 8.344 -2.922 -6.648 1.00 0.47 H new ATOM 0 HD22 LEU B 38 9.179 -3.427 -8.136 1.00 0.47 H new ATOM 0 HD23 LEU B 38 7.763 -4.336 -7.558 1.00 0.47 H new ATOM 1462 N SER B 39 12.292 -7.570 -7.961 1.00 0.47 N ATOM 1463 CA SER B 39 13.019 -8.805 -8.250 1.00 0.54 C ATOM 1464 C SER B 39 12.051 -9.960 -8.548 1.00 0.48 C ATOM 1465 O SER B 39 10.835 -9.768 -8.583 1.00 0.45 O ATOM 1466 CB SER B 39 13.937 -9.151 -7.071 1.00 0.67 C ATOM 1467 OG SER B 39 14.805 -10.227 -7.387 1.00 1.42 O ATOM 0 H SER B 39 12.348 -7.270 -6.988 1.00 0.47 H new ATOM 0 HA SER B 39 13.629 -8.652 -9.140 1.00 0.54 H new ATOM 0 HB2 SER B 39 14.526 -8.275 -6.798 1.00 0.67 H new ATOM 0 HB3 SER B 39 13.333 -9.413 -6.202 1.00 0.67 H new ATOM 0 HG SER B 39 14.495 -11.040 -6.937 1.00 1.42 H new ATOM 1473 N SER B 40 12.592 -11.155 -8.755 1.00 0.59 N ATOM 1474 CA SER B 40 11.799 -12.312 -9.163 1.00 0.61 C ATOM 1475 C SER B 40 10.764 -12.705 -8.106 1.00 0.53 C ATOM 1476 O SER B 40 9.558 -12.635 -8.354 1.00 0.49 O ATOM 1477 CB SER B 40 12.731 -13.484 -9.462 1.00 0.77 C ATOM 1478 OG SER B 40 13.688 -13.641 -8.428 1.00 1.63 O ATOM 0 H SER B 40 13.587 -11.350 -8.646 1.00 0.59 H new ATOM 0 HA SER B 40 11.245 -12.042 -10.062 1.00 0.61 H new ATOM 0 HB2 SER B 40 12.149 -14.400 -9.568 1.00 0.77 H new ATOM 0 HB3 SER B 40 13.239 -13.318 -10.412 1.00 0.77 H new ATOM 0 HG SER B 40 14.274 -14.398 -8.637 1.00 1.63 H new ATOM 1484 N ASP B 41 11.234 -13.116 -6.932 1.00 0.57 N ATOM 1485 CA ASP B 41 10.339 -13.508 -5.843 1.00 0.58 C ATOM 1486 C ASP B 41 9.524 -12.314 -5.363 1.00 0.53 C ATOM 1487 O ASP B 41 8.368 -12.451 -4.954 1.00 0.55 O ATOM 1488 CB ASP B 41 11.138 -14.104 -4.681 1.00 0.71 C ATOM 1489 CG ASP B 41 10.288 -14.346 -3.449 1.00 1.26 C ATOM 1490 OD1 ASP B 41 9.512 -15.324 -3.433 1.00 1.69 O ATOM 1491 OD2 ASP B 41 10.390 -13.557 -2.489 1.00 2.21 O ATOM 0 H ASP B 41 12.227 -13.187 -6.709 1.00 0.57 H new ATOM 0 HA ASP B 41 9.654 -14.267 -6.221 1.00 0.58 H new ATOM 0 HB2 ASP B 41 11.586 -15.045 -4.999 1.00 0.71 H new ATOM 0 HB3 ASP B 41 11.957 -13.431 -4.426 1.00 0.71 H new ATOM 1496 N ALA B 42 10.132 -11.140 -5.432 1.00 0.51 N ATOM 1497 CA ALA B 42 9.458 -9.902 -5.075 1.00 0.50 C ATOM 1498 C ALA B 42 8.242 -9.672 -5.969 1.00 0.47 C ATOM 1499 O ALA B 42 7.201 -9.204 -5.511 1.00 0.52 O ATOM 1500 CB ALA B 42 10.429 -8.744 -5.183 1.00 0.54 C ATOM 0 H ALA B 42 11.099 -11.019 -5.734 1.00 0.51 H new ATOM 0 HA ALA B 42 9.107 -9.975 -4.046 1.00 0.50 H new ATOM 0 HB1 ALA B 42 9.921 -7.817 -4.915 1.00 0.54 H new ATOM 0 HB2 ALA B 42 11.267 -8.908 -4.506 1.00 0.54 H new ATOM 0 HB3 ALA B 42 10.798 -8.673 -6.206 1.00 0.54 H new ATOM 1506 N GLN B 43 8.391 -10.010 -7.244 1.00 0.44 N ATOM 1507 CA GLN B 43 7.294 -9.952 -8.201 1.00 0.45 C ATOM 1508 C GLN B 43 6.149 -10.855 -7.766 1.00 0.45 C ATOM 1509 O GLN B 43 5.013 -10.408 -7.613 1.00 0.48 O ATOM 1510 CB GLN B 43 7.788 -10.384 -9.576 1.00 0.49 C ATOM 1511 CG GLN B 43 8.344 -9.243 -10.412 1.00 0.82 C ATOM 1512 CD GLN B 43 8.969 -9.724 -11.704 1.00 0.85 C ATOM 1513 OE1 GLN B 43 8.306 -9.823 -12.735 1.00 1.57 O ATOM 1514 NE2 GLN B 43 10.256 -10.024 -11.655 1.00 1.12 N ATOM 0 H GLN B 43 9.273 -10.331 -7.642 1.00 0.44 H new ATOM 0 HA GLN B 43 6.930 -8.925 -8.246 1.00 0.45 H new ATOM 0 HB2 GLN B 43 8.561 -11.142 -9.453 1.00 0.49 H new ATOM 0 HB3 GLN B 43 6.966 -10.852 -10.117 1.00 0.49 H new ATOM 0 HG2 GLN B 43 7.543 -8.539 -10.639 1.00 0.82 H new ATOM 0 HG3 GLN B 43 9.090 -8.701 -9.831 1.00 0.82 H new ATOM 0 HE21 GLN B 43 10.769 -9.928 -10.779 1.00 1.12 H new ATOM 0 HE22 GLN B 43 10.736 -10.352 -12.493 1.00 1.12 H new ATOM 1523 N GLU B 44 6.465 -12.128 -7.592 1.00 0.49 N ATOM 1524 CA GLU B 44 5.514 -13.109 -7.069 1.00 0.54 C ATOM 1525 C GLU B 44 4.776 -12.567 -5.846 1.00 0.51 C ATOM 1526 O GLU B 44 3.565 -12.753 -5.704 1.00 0.50 O ATOM 1527 CB GLU B 44 6.246 -14.398 -6.689 1.00 0.68 C ATOM 1528 CG GLU B 44 7.003 -15.037 -7.838 1.00 1.20 C ATOM 1529 CD GLU B 44 6.108 -15.360 -9.011 1.00 1.65 C ATOM 1530 OE1 GLU B 44 5.198 -16.200 -8.855 1.00 2.20 O ATOM 1531 OE2 GLU B 44 6.319 -14.788 -10.102 1.00 2.36 O ATOM 0 H GLU B 44 7.384 -12.515 -7.807 1.00 0.49 H new ATOM 0 HA GLU B 44 4.784 -13.316 -7.851 1.00 0.54 H new ATOM 0 HB2 GLU B 44 6.946 -14.182 -5.881 1.00 0.68 H new ATOM 0 HB3 GLU B 44 5.522 -15.114 -6.301 1.00 0.68 H new ATOM 0 HG2 GLU B 44 7.796 -14.365 -8.165 1.00 1.20 H new ATOM 0 HG3 GLU B 44 7.483 -15.951 -7.489 1.00 1.20 H new ATOM 1538 N SER B 45 5.513 -11.882 -4.982 1.00 0.54 N ATOM 1539 CA SER B 45 4.958 -11.325 -3.757 1.00 0.59 C ATOM 1540 C SER B 45 3.940 -10.217 -4.049 1.00 0.55 C ATOM 1541 O SER B 45 3.002 -10.017 -3.277 1.00 0.58 O ATOM 1542 CB SER B 45 6.089 -10.791 -2.877 1.00 0.71 C ATOM 1543 OG SER B 45 7.048 -11.806 -2.612 1.00 1.04 O ATOM 0 H SER B 45 6.508 -11.698 -5.110 1.00 0.54 H new ATOM 0 HA SER B 45 4.431 -12.121 -3.230 1.00 0.59 H new ATOM 0 HB2 SER B 45 6.573 -9.948 -3.371 1.00 0.71 H new ATOM 0 HB3 SER B 45 5.680 -10.418 -1.938 1.00 0.71 H new ATOM 0 HG SER B 45 7.592 -11.959 -3.413 1.00 1.04 H new ATOM 1549 N LEU B 46 4.114 -9.511 -5.168 1.00 0.56 N ATOM 1550 CA LEU B 46 3.189 -8.440 -5.542 1.00 0.60 C ATOM 1551 C LEU B 46 1.798 -9.004 -5.768 1.00 0.50 C ATOM 1552 O LEU B 46 0.832 -8.547 -5.165 1.00 0.48 O ATOM 1553 CB LEU B 46 3.639 -7.712 -6.818 1.00 0.74 C ATOM 1554 CG LEU B 46 5.023 -7.062 -6.768 1.00 0.75 C ATOM 1555 CD1 LEU B 46 5.267 -6.227 -8.016 1.00 1.28 C ATOM 1556 CD2 LEU B 46 5.172 -6.203 -5.520 1.00 1.14 C ATOM 0 H LEU B 46 4.880 -9.660 -5.825 1.00 0.56 H new ATOM 0 HA LEU B 46 3.179 -7.725 -4.719 1.00 0.60 H new ATOM 0 HB2 LEU B 46 3.624 -8.424 -7.643 1.00 0.74 H new ATOM 0 HB3 LEU B 46 2.905 -6.940 -7.050 1.00 0.74 H new ATOM 0 HG LEU B 46 5.769 -7.856 -6.730 1.00 0.75 H new ATOM 0 HD11 LEU B 46 6.256 -5.773 -7.962 1.00 1.28 H new ATOM 0 HD12 LEU B 46 5.208 -6.865 -8.898 1.00 1.28 H new ATOM 0 HD13 LEU B 46 4.512 -5.444 -8.083 1.00 1.28 H new ATOM 0 HD21 LEU B 46 6.164 -5.751 -5.506 1.00 1.14 H new ATOM 0 HD22 LEU B 46 4.416 -5.418 -5.526 1.00 1.14 H new ATOM 0 HD23 LEU B 46 5.044 -6.824 -4.633 1.00 1.14 H new ATOM 1568 N GLU B 47 1.718 -10.019 -6.625 1.00 0.49 N ATOM 1569 CA GLU B 47 0.443 -10.623 -7.000 1.00 0.48 C ATOM 1570 C GLU B 47 -0.325 -11.085 -5.764 1.00 0.43 C ATOM 1571 O GLU B 47 -1.521 -10.817 -5.628 1.00 0.45 O ATOM 1572 CB GLU B 47 0.682 -11.804 -7.947 1.00 0.55 C ATOM 1573 CG GLU B 47 -0.594 -12.415 -8.506 1.00 0.81 C ATOM 1574 CD GLU B 47 -1.411 -11.427 -9.314 1.00 1.06 C ATOM 1575 OE1 GLU B 47 -0.991 -11.077 -10.436 1.00 1.75 O ATOM 1576 OE2 GLU B 47 -2.483 -11.002 -8.836 1.00 1.52 O ATOM 0 H GLU B 47 2.529 -10.443 -7.076 1.00 0.49 H new ATOM 0 HA GLU B 47 -0.157 -9.871 -7.512 1.00 0.48 H new ATOM 0 HB2 GLU B 47 1.307 -11.472 -8.776 1.00 0.55 H new ATOM 0 HB3 GLU B 47 1.240 -12.575 -7.416 1.00 0.55 H new ATOM 0 HG2 GLU B 47 -0.338 -13.268 -9.134 1.00 0.81 H new ATOM 0 HG3 GLU B 47 -1.200 -12.795 -7.684 1.00 0.81 H new ATOM 1583 N VAL B 48 0.376 -11.758 -4.855 1.00 0.41 N ATOM 1584 CA VAL B 48 -0.235 -12.244 -3.624 1.00 0.42 C ATOM 1585 C VAL B 48 -0.781 -11.078 -2.805 1.00 0.41 C ATOM 1586 O VAL B 48 -1.934 -11.092 -2.374 1.00 0.43 O ATOM 1587 CB VAL B 48 0.771 -13.031 -2.756 1.00 0.45 C ATOM 1588 CG1 VAL B 48 0.064 -13.706 -1.591 1.00 0.49 C ATOM 1589 CG2 VAL B 48 1.524 -14.054 -3.585 1.00 0.48 C ATOM 0 H VAL B 48 1.367 -11.978 -4.949 1.00 0.41 H new ATOM 0 HA VAL B 48 -1.046 -12.913 -3.913 1.00 0.42 H new ATOM 0 HB VAL B 48 1.495 -12.321 -2.356 1.00 0.45 H new ATOM 0 HG11 VAL B 48 0.791 -14.255 -0.993 1.00 0.49 H new ATOM 0 HG12 VAL B 48 -0.419 -12.950 -0.972 1.00 0.49 H new ATOM 0 HG13 VAL B 48 -0.687 -14.397 -1.973 1.00 0.49 H new ATOM 0 HG21 VAL B 48 2.225 -14.593 -2.948 1.00 0.48 H new ATOM 0 HG22 VAL B 48 0.817 -14.758 -4.024 1.00 0.48 H new ATOM 0 HG23 VAL B 48 2.071 -13.547 -4.379 1.00 0.48 H new ATOM 1599 N ALA B 49 0.054 -10.061 -2.620 1.00 0.41 N ATOM 1600 CA ALA B 49 -0.323 -8.885 -1.844 1.00 0.43 C ATOM 1601 C ALA B 49 -1.511 -8.167 -2.471 1.00 0.43 C ATOM 1602 O ALA B 49 -2.417 -7.724 -1.765 1.00 0.48 O ATOM 1603 CB ALA B 49 0.857 -7.937 -1.718 1.00 0.44 C ATOM 0 H ALA B 49 1.000 -10.028 -2.999 1.00 0.41 H new ATOM 0 HA ALA B 49 -0.618 -9.219 -0.849 1.00 0.43 H new ATOM 0 HB1 ALA B 49 0.562 -7.064 -1.137 1.00 0.44 H new ATOM 0 HB2 ALA B 49 1.680 -8.445 -1.216 1.00 0.44 H new ATOM 0 HB3 ALA B 49 1.177 -7.621 -2.711 1.00 0.44 H new ATOM 1609 N ILE B 50 -1.502 -8.060 -3.797 1.00 0.40 N ATOM 1610 CA ILE B 50 -2.595 -7.434 -4.530 1.00 0.41 C ATOM 1611 C ILE B 50 -3.918 -8.121 -4.208 1.00 0.38 C ATOM 1612 O ILE B 50 -4.898 -7.466 -3.847 1.00 0.41 O ATOM 1613 CB ILE B 50 -2.358 -7.484 -6.058 1.00 0.43 C ATOM 1614 CG1 ILE B 50 -1.135 -6.650 -6.446 1.00 0.53 C ATOM 1615 CG2 ILE B 50 -3.589 -6.993 -6.804 1.00 0.47 C ATOM 1616 CD1 ILE B 50 -0.777 -6.748 -7.916 1.00 0.62 C ATOM 0 H ILE B 50 -0.744 -8.402 -4.388 1.00 0.40 H new ATOM 0 HA ILE B 50 -2.636 -6.391 -4.217 1.00 0.41 H new ATOM 0 HB ILE B 50 -2.170 -8.520 -6.338 1.00 0.43 H new ATOM 0 HG12 ILE B 50 -1.323 -5.606 -6.195 1.00 0.53 H new ATOM 0 HG13 ILE B 50 -0.281 -6.973 -5.850 1.00 0.53 H new ATOM 0 HG21 ILE B 50 -3.405 -7.035 -7.877 1.00 0.47 H new ATOM 0 HG22 ILE B 50 -4.441 -7.627 -6.557 1.00 0.47 H new ATOM 0 HG23 ILE B 50 -3.805 -5.965 -6.513 1.00 0.47 H new ATOM 0 HD11 ILE B 50 0.099 -6.132 -8.119 1.00 0.62 H new ATOM 0 HD12 ILE B 50 -0.557 -7.785 -8.169 1.00 0.62 H new ATOM 0 HD13 ILE B 50 -1.615 -6.397 -8.519 1.00 0.62 H new ATOM 1628 N GLN B 51 -3.931 -9.445 -4.318 1.00 0.39 N ATOM 1629 CA GLN B 51 -5.137 -10.220 -4.062 1.00 0.43 C ATOM 1630 C GLN B 51 -5.576 -10.073 -2.611 1.00 0.43 C ATOM 1631 O GLN B 51 -6.766 -9.917 -2.324 1.00 0.47 O ATOM 1632 CB GLN B 51 -4.914 -11.699 -4.392 1.00 0.51 C ATOM 1633 CG GLN B 51 -4.553 -11.962 -5.846 1.00 0.78 C ATOM 1634 CD GLN B 51 -5.536 -11.334 -6.817 1.00 1.02 C ATOM 1635 OE1 GLN B 51 -6.551 -11.936 -7.171 1.00 1.84 O ATOM 1636 NE2 GLN B 51 -5.226 -10.133 -7.273 1.00 1.35 N ATOM 0 H GLN B 51 -3.119 -10.003 -4.583 1.00 0.39 H new ATOM 0 HA GLN B 51 -5.925 -9.833 -4.708 1.00 0.43 H new ATOM 0 HB2 GLN B 51 -4.119 -12.087 -3.755 1.00 0.51 H new ATOM 0 HB3 GLN B 51 -5.819 -12.256 -4.147 1.00 0.51 H new ATOM 0 HG2 GLN B 51 -3.554 -11.573 -6.044 1.00 0.78 H new ATOM 0 HG3 GLN B 51 -4.516 -13.038 -6.018 1.00 0.78 H new ATOM 0 HE21 GLN B 51 -4.375 -9.670 -6.953 1.00 1.35 H new ATOM 0 HE22 GLN B 51 -5.837 -9.669 -7.945 1.00 1.35 H new ATOM 1645 N CYS B 52 -4.606 -10.103 -1.706 1.00 0.45 N ATOM 1646 CA CYS B 52 -4.880 -9.993 -0.283 1.00 0.52 C ATOM 1647 C CYS B 52 -5.469 -8.629 0.067 1.00 0.53 C ATOM 1648 O CYS B 52 -6.505 -8.553 0.718 1.00 0.59 O ATOM 1649 CB CYS B 52 -3.607 -10.239 0.524 1.00 0.59 C ATOM 1650 SG CYS B 52 -2.919 -11.895 0.314 1.00 0.69 S ATOM 0 H CYS B 52 -3.617 -10.203 -1.936 1.00 0.45 H new ATOM 0 HA CYS B 52 -5.617 -10.754 -0.026 1.00 0.52 H new ATOM 0 HB2 CYS B 52 -2.856 -9.504 0.233 1.00 0.59 H new ATOM 0 HB3 CYS B 52 -3.820 -10.076 1.580 1.00 0.59 H new ATOM 0 HG CYS B 52 -2.360 -11.988 -0.856 1.00 0.69 H new ATOM 1656 N LEU B 53 -4.821 -7.556 -0.380 1.00 0.49 N ATOM 1657 CA LEU B 53 -5.282 -6.206 -0.064 1.00 0.53 C ATOM 1658 C LEU B 53 -6.636 -5.921 -0.699 1.00 0.50 C ATOM 1659 O LEU B 53 -7.471 -5.232 -0.111 1.00 0.57 O ATOM 1660 CB LEU B 53 -4.261 -5.159 -0.512 1.00 0.63 C ATOM 1661 CG LEU B 53 -2.946 -5.157 0.271 1.00 0.54 C ATOM 1662 CD1 LEU B 53 -2.012 -4.082 -0.262 1.00 0.76 C ATOM 1663 CD2 LEU B 53 -3.203 -4.950 1.759 1.00 0.61 C ATOM 0 H LEU B 53 -3.981 -7.594 -0.958 1.00 0.49 H new ATOM 0 HA LEU B 53 -5.392 -6.145 1.019 1.00 0.53 H new ATOM 0 HB2 LEU B 53 -4.038 -5.320 -1.567 1.00 0.63 H new ATOM 0 HB3 LEU B 53 -4.716 -4.172 -0.430 1.00 0.63 H new ATOM 0 HG LEU B 53 -2.469 -6.128 0.139 1.00 0.54 H new ATOM 0 HD11 LEU B 53 -1.082 -4.094 0.306 1.00 0.76 H new ATOM 0 HD12 LEU B 53 -1.798 -4.274 -1.313 1.00 0.76 H new ATOM 0 HD13 LEU B 53 -2.486 -3.106 -0.161 1.00 0.76 H new ATOM 0 HD21 LEU B 53 -2.254 -4.952 2.296 1.00 0.61 H new ATOM 0 HD22 LEU B 53 -3.704 -3.994 1.912 1.00 0.61 H new ATOM 0 HD23 LEU B 53 -3.834 -5.755 2.135 1.00 0.61 H new ATOM 1675 N GLU B 54 -6.852 -6.462 -1.892 1.00 0.46 N ATOM 1676 CA GLU B 54 -8.129 -6.322 -2.575 1.00 0.50 C ATOM 1677 C GLU B 54 -9.253 -6.860 -1.693 1.00 0.56 C ATOM 1678 O GLU B 54 -10.232 -6.165 -1.411 1.00 0.65 O ATOM 1679 CB GLU B 54 -8.103 -7.080 -3.903 1.00 0.55 C ATOM 1680 CG GLU B 54 -9.353 -6.875 -4.739 1.00 0.73 C ATOM 1681 CD GLU B 54 -9.391 -7.757 -5.964 1.00 1.06 C ATOM 1682 OE1 GLU B 54 -9.711 -8.957 -5.825 1.00 1.66 O ATOM 1683 OE2 GLU B 54 -9.108 -7.259 -7.075 1.00 1.62 O ATOM 0 H GLU B 54 -6.157 -7.003 -2.406 1.00 0.46 H new ATOM 0 HA GLU B 54 -8.306 -5.265 -2.775 1.00 0.50 H new ATOM 0 HB2 GLU B 54 -7.234 -6.761 -4.478 1.00 0.55 H new ATOM 0 HB3 GLU B 54 -7.979 -8.144 -3.703 1.00 0.55 H new ATOM 0 HG2 GLU B 54 -10.231 -7.076 -4.126 1.00 0.73 H new ATOM 0 HG3 GLU B 54 -9.411 -5.831 -5.047 1.00 0.73 H new ATOM 1690 N THR B 55 -9.083 -8.093 -1.241 1.00 0.61 N ATOM 1691 CA THR B 55 -10.059 -8.740 -0.382 1.00 0.77 C ATOM 1692 C THR B 55 -10.093 -8.088 1.002 1.00 0.83 C ATOM 1693 O THR B 55 -11.150 -7.987 1.625 1.00 0.98 O ATOM 1694 CB THR B 55 -9.733 -10.239 -0.247 1.00 0.95 C ATOM 1695 OG1 THR B 55 -9.622 -10.823 -1.554 1.00 0.99 O ATOM 1696 CG2 THR B 55 -10.805 -10.970 0.545 1.00 1.15 C ATOM 0 H THR B 55 -8.270 -8.669 -1.458 1.00 0.61 H new ATOM 0 HA THR B 55 -11.042 -8.624 -0.839 1.00 0.77 H new ATOM 0 HB THR B 55 -8.789 -10.335 0.289 1.00 0.95 H new ATOM 0 HG1 THR B 55 -8.744 -10.611 -1.933 1.00 0.99 H new ATOM 0 HG21 THR B 55 -10.544 -12.026 0.622 1.00 1.15 H new ATOM 0 HG22 THR B 55 -10.876 -10.540 1.544 1.00 1.15 H new ATOM 0 HG23 THR B 55 -11.764 -10.869 0.038 1.00 1.15 H new ATOM 1704 N ALA B 56 -8.934 -7.624 1.458 1.00 0.76 N ATOM 1705 CA ALA B 56 -8.804 -7.006 2.774 1.00 0.87 C ATOM 1706 C ALA B 56 -9.711 -5.792 2.921 1.00 0.88 C ATOM 1707 O ALA B 56 -10.523 -5.721 3.839 1.00 1.14 O ATOM 1708 CB ALA B 56 -7.360 -6.606 3.027 1.00 0.89 C ATOM 0 H ALA B 56 -8.063 -7.665 0.930 1.00 0.76 H new ATOM 0 HA ALA B 56 -9.112 -7.745 3.514 1.00 0.87 H new ATOM 0 HB1 ALA B 56 -7.277 -6.146 4.012 1.00 0.89 H new ATOM 0 HB2 ALA B 56 -6.725 -7.491 2.985 1.00 0.89 H new ATOM 0 HB3 ALA B 56 -7.041 -5.894 2.266 1.00 0.89 H new ATOM 1714 N PHE B 57 -9.578 -4.840 2.014 1.00 0.76 N ATOM 1715 CA PHE B 57 -10.365 -3.626 2.080 1.00 1.05 C ATOM 1716 C PHE B 57 -11.761 -3.842 1.502 1.00 1.57 C ATOM 1717 O PHE B 57 -12.618 -2.960 1.574 1.00 2.06 O ATOM 1718 CB PHE B 57 -9.659 -2.504 1.327 1.00 1.04 C ATOM 1719 CG PHE B 57 -8.336 -2.095 1.917 1.00 0.92 C ATOM 1720 CD1 PHE B 57 -8.274 -1.183 2.959 1.00 1.47 C ATOM 1721 CD2 PHE B 57 -7.152 -2.600 1.407 1.00 1.49 C ATOM 1722 CE1 PHE B 57 -7.053 -0.785 3.477 1.00 1.47 C ATOM 1723 CE2 PHE B 57 -5.933 -2.210 1.922 1.00 1.50 C ATOM 1724 CZ PHE B 57 -5.883 -1.300 2.956 1.00 0.92 C ATOM 0 H PHE B 57 -8.933 -4.886 1.225 1.00 0.76 H new ATOM 0 HA PHE B 57 -10.470 -3.348 3.129 1.00 1.05 H new ATOM 0 HB2 PHE B 57 -9.501 -2.819 0.295 1.00 1.04 H new ATOM 0 HB3 PHE B 57 -10.315 -1.634 1.298 1.00 1.04 H new ATOM 0 HD1 PHE B 57 -9.187 -0.779 3.371 1.00 1.47 H new ATOM 0 HD2 PHE B 57 -7.183 -3.310 0.594 1.00 1.49 H new ATOM 0 HE1 PHE B 57 -7.016 -0.072 4.288 1.00 1.47 H new ATOM 0 HE2 PHE B 57 -5.019 -2.617 1.515 1.00 1.50 H new ATOM 0 HZ PHE B 57 -4.930 -0.990 3.358 1.00 0.92 H new ATOM 1734 N GLY B 58 -11.978 -5.022 0.929 1.00 1.71 N ATOM 1735 CA GLY B 58 -13.264 -5.345 0.342 1.00 2.29 C ATOM 1736 C GLY B 58 -13.510 -4.578 -0.939 1.00 2.05 C ATOM 1737 O GLY B 58 -14.650 -4.254 -1.273 1.00 2.60 O ATOM 0 H GLY B 58 -11.281 -5.764 0.861 1.00 1.71 H new ATOM 0 HA2 GLY B 58 -13.312 -6.415 0.139 1.00 2.29 H new ATOM 0 HA3 GLY B 58 -14.056 -5.121 1.057 1.00 2.29 H new ATOM 1741 N VAL B 59 -12.439 -4.300 -1.663 1.00 1.35 N ATOM 1742 CA VAL B 59 -12.524 -3.488 -2.865 1.00 1.13 C ATOM 1743 C VAL B 59 -12.412 -4.346 -4.117 1.00 1.04 C ATOM 1744 O VAL B 59 -11.987 -5.500 -4.059 1.00 1.22 O ATOM 1745 CB VAL B 59 -11.431 -2.396 -2.894 1.00 0.93 C ATOM 1746 CG1 VAL B 59 -11.610 -1.433 -1.735 1.00 1.23 C ATOM 1747 CG2 VAL B 59 -10.040 -3.011 -2.861 1.00 1.00 C ATOM 0 H VAL B 59 -11.499 -4.625 -1.439 1.00 1.35 H new ATOM 0 HA VAL B 59 -13.501 -3.004 -2.848 1.00 1.13 H new ATOM 0 HB VAL B 59 -11.534 -1.843 -3.828 1.00 0.93 H new ATOM 0 HG11 VAL B 59 -10.831 -0.671 -1.772 1.00 1.23 H new ATOM 0 HG12 VAL B 59 -12.588 -0.957 -1.806 1.00 1.23 H new ATOM 0 HG13 VAL B 59 -11.539 -1.979 -0.794 1.00 1.23 H new ATOM 0 HG21 VAL B 59 -9.291 -2.219 -2.882 1.00 1.00 H new ATOM 0 HG22 VAL B 59 -9.923 -3.597 -1.949 1.00 1.00 H new ATOM 0 HG23 VAL B 59 -9.908 -3.659 -3.728 1.00 1.00 H new ATOM 1757 N THR B 60 -12.817 -3.776 -5.236 1.00 1.17 N ATOM 1758 CA THR B 60 -12.726 -4.430 -6.529 1.00 1.30 C ATOM 1759 C THR B 60 -12.324 -3.403 -7.578 1.00 1.16 C ATOM 1760 O THR B 60 -11.966 -2.274 -7.232 1.00 1.14 O ATOM 1761 CB THR B 60 -14.066 -5.077 -6.940 1.00 1.94 C ATOM 1762 OG1 THR B 60 -15.124 -4.117 -6.820 1.00 2.24 O ATOM 1763 CG2 THR B 60 -14.382 -6.300 -6.090 1.00 2.38 C ATOM 0 H THR B 60 -13.221 -2.840 -5.274 1.00 1.17 H new ATOM 0 HA THR B 60 -11.979 -5.221 -6.456 1.00 1.30 H new ATOM 0 HB THR B 60 -13.978 -5.403 -7.976 1.00 1.94 H new ATOM 0 HG1 THR B 60 -15.950 -4.493 -7.189 1.00 2.24 H new ATOM 0 HG21 THR B 60 -15.332 -6.729 -6.408 1.00 2.38 H new ATOM 0 HG22 THR B 60 -13.591 -7.041 -6.210 1.00 2.38 H new ATOM 0 HG23 THR B 60 -14.449 -6.007 -5.042 1.00 2.38 H new ATOM 1771 N VAL B 61 -12.372 -3.777 -8.851 1.00 1.40 N ATOM 1772 CA VAL B 61 -12.127 -2.819 -9.925 1.00 1.59 C ATOM 1773 C VAL B 61 -13.154 -1.678 -9.859 1.00 1.83 C ATOM 1774 O VAL B 61 -12.913 -0.568 -10.337 1.00 2.11 O ATOM 1775 CB VAL B 61 -12.171 -3.503 -11.312 1.00 1.80 C ATOM 1776 CG1 VAL B 61 -13.571 -4.004 -11.634 1.00 2.21 C ATOM 1777 CG2 VAL B 61 -11.662 -2.567 -12.398 1.00 1.95 C ATOM 0 H VAL B 61 -12.576 -4.726 -9.164 1.00 1.40 H new ATOM 0 HA VAL B 61 -11.127 -2.408 -9.789 1.00 1.59 H new ATOM 0 HB VAL B 61 -11.509 -4.368 -11.278 1.00 1.80 H new ATOM 0 HG11 VAL B 61 -13.571 -4.480 -12.615 1.00 2.21 H new ATOM 0 HG12 VAL B 61 -13.881 -4.727 -10.880 1.00 2.21 H new ATOM 0 HG13 VAL B 61 -14.266 -3.164 -11.639 1.00 2.21 H new ATOM 0 HG21 VAL B 61 -11.704 -3.072 -13.363 1.00 1.95 H new ATOM 0 HG22 VAL B 61 -12.285 -1.673 -12.429 1.00 1.95 H new ATOM 0 HG23 VAL B 61 -10.632 -2.284 -12.181 1.00 1.95 H new ATOM 1787 N GLU B 62 -14.283 -1.957 -9.208 1.00 1.89 N ATOM 1788 CA GLU B 62 -15.349 -0.978 -9.025 1.00 2.15 C ATOM 1789 C GLU B 62 -14.872 0.194 -8.170 1.00 1.63 C ATOM 1790 O GLU B 62 -15.401 1.303 -8.262 1.00 1.65 O ATOM 1791 CB GLU B 62 -16.553 -1.644 -8.363 1.00 2.86 C ATOM 1792 CG GLU B 62 -17.091 -2.832 -9.140 1.00 3.13 C ATOM 1793 CD GLU B 62 -18.107 -3.629 -8.351 1.00 3.56 C ATOM 1794 OE1 GLU B 62 -19.304 -3.281 -8.390 1.00 3.97 O ATOM 1795 OE2 GLU B 62 -17.709 -4.613 -7.688 1.00 4.00 O ATOM 0 H GLU B 62 -14.482 -2.868 -8.794 1.00 1.89 H new ATOM 0 HA GLU B 62 -15.636 -0.595 -10.004 1.00 2.15 H new ATOM 0 HB2 GLU B 62 -16.272 -1.972 -7.362 1.00 2.86 H new ATOM 0 HB3 GLU B 62 -17.347 -0.907 -8.246 1.00 2.86 H new ATOM 0 HG2 GLU B 62 -17.549 -2.480 -10.064 1.00 3.13 H new ATOM 0 HG3 GLU B 62 -16.263 -3.483 -9.422 1.00 3.13 H new ATOM 1802 N ASP B 63 -13.863 -0.052 -7.341 1.00 1.36 N ATOM 1803 CA ASP B 63 -13.299 1.000 -6.503 1.00 1.61 C ATOM 1804 C ASP B 63 -12.459 1.934 -7.366 1.00 1.59 C ATOM 1805 O ASP B 63 -12.254 3.101 -7.042 1.00 1.93 O ATOM 1806 CB ASP B 63 -12.451 0.398 -5.379 1.00 1.89 C ATOM 1807 CG ASP B 63 -12.243 1.364 -4.228 1.00 2.88 C ATOM 1808 OD1 ASP B 63 -13.136 1.441 -3.354 1.00 3.35 O ATOM 1809 OD2 ASP B 63 -11.198 2.040 -4.191 1.00 3.62 O ATOM 0 H ASP B 63 -13.421 -0.965 -7.232 1.00 1.36 H new ATOM 0 HA ASP B 63 -14.110 1.566 -6.044 1.00 1.61 H new ATOM 0 HB2 ASP B 63 -12.934 -0.506 -5.008 1.00 1.89 H new ATOM 0 HB3 ASP B 63 -11.482 0.100 -5.779 1.00 1.89 H new ATOM 1814 N SER B 64 -12.004 1.411 -8.498 1.00 1.56 N ATOM 1815 CA SER B 64 -11.263 2.205 -9.460 1.00 1.82 C ATOM 1816 C SER B 64 -12.237 3.026 -10.304 1.00 1.73 C ATOM 1817 O SER B 64 -11.847 3.979 -10.976 1.00 1.91 O ATOM 1818 CB SER B 64 -10.401 1.299 -10.347 1.00 2.42 C ATOM 1819 OG SER B 64 -9.494 2.049 -11.136 1.00 2.92 O ATOM 0 H SER B 64 -12.138 0.437 -8.769 1.00 1.56 H new ATOM 0 HA SER B 64 -10.598 2.887 -8.929 1.00 1.82 H new ATOM 0 HB2 SER B 64 -9.847 0.598 -9.722 1.00 2.42 H new ATOM 0 HB3 SER B 64 -11.045 0.706 -10.997 1.00 2.42 H new ATOM 0 HG SER B 64 -9.872 2.935 -11.315 1.00 2.92 H new ATOM 1825 N ASP B 65 -13.511 2.639 -10.272 1.00 1.68 N ATOM 1826 CA ASP B 65 -14.561 3.414 -10.929 1.00 2.03 C ATOM 1827 C ASP B 65 -14.826 4.705 -10.167 1.00 1.91 C ATOM 1828 O ASP B 65 -15.017 5.763 -10.762 1.00 2.28 O ATOM 1829 CB ASP B 65 -15.858 2.605 -11.045 1.00 2.26 C ATOM 1830 CG ASP B 65 -15.796 1.550 -12.128 1.00 2.89 C ATOM 1831 OD1 ASP B 65 -16.127 1.869 -13.288 1.00 3.46 O ATOM 1832 OD2 ASP B 65 -15.421 0.398 -11.831 1.00 3.35 O ATOM 0 H ASP B 65 -13.840 1.797 -9.800 1.00 1.68 H new ATOM 0 HA ASP B 65 -14.215 3.655 -11.934 1.00 2.03 H new ATOM 0 HB2 ASP B 65 -16.069 2.126 -10.089 1.00 2.26 H new ATOM 0 HB3 ASP B 65 -16.686 3.283 -11.251 1.00 2.26 H new ATOM 1837 N LEU B 66 -14.814 4.615 -8.844 1.00 1.52 N ATOM 1838 CA LEU B 66 -14.985 5.787 -7.984 1.00 1.62 C ATOM 1839 C LEU B 66 -13.639 6.466 -7.725 1.00 1.45 C ATOM 1840 O LEU B 66 -13.430 7.098 -6.687 1.00 1.72 O ATOM 1841 CB LEU B 66 -15.706 5.411 -6.677 1.00 1.77 C ATOM 1842 CG LEU B 66 -15.143 4.211 -5.904 1.00 1.59 C ATOM 1843 CD1 LEU B 66 -14.032 4.637 -4.956 1.00 1.87 C ATOM 1844 CD2 LEU B 66 -16.251 3.509 -5.138 1.00 1.57 C ATOM 0 H LEU B 66 -14.687 3.739 -8.337 1.00 1.52 H new ATOM 0 HA LEU B 66 -15.619 6.508 -8.501 1.00 1.62 H new ATOM 0 HB2 LEU B 66 -15.691 6.279 -6.018 1.00 1.77 H new ATOM 0 HB3 LEU B 66 -16.751 5.206 -6.911 1.00 1.77 H new ATOM 0 HG LEU B 66 -14.718 3.515 -6.627 1.00 1.59 H new ATOM 0 HD11 LEU B 66 -13.654 3.765 -4.423 1.00 1.87 H new ATOM 0 HD12 LEU B 66 -13.222 5.093 -5.526 1.00 1.87 H new ATOM 0 HD13 LEU B 66 -14.423 5.359 -4.239 1.00 1.87 H new ATOM 0 HD21 LEU B 66 -15.836 2.660 -4.595 1.00 1.57 H new ATOM 0 HD22 LEU B 66 -16.703 4.206 -4.432 1.00 1.57 H new ATOM 0 HD23 LEU B 66 -17.010 3.157 -5.837 1.00 1.57 H new ATOM 1856 N ALA B 67 -12.737 6.310 -8.692 1.00 1.30 N ATOM 1857 CA ALA B 67 -11.362 6.796 -8.611 1.00 1.26 C ATOM 1858 C ALA B 67 -11.255 8.248 -8.150 1.00 1.28 C ATOM 1859 O ALA B 67 -12.157 9.062 -8.361 1.00 1.54 O ATOM 1860 CB ALA B 67 -10.700 6.650 -9.966 1.00 1.48 C ATOM 0 H ALA B 67 -12.946 5.834 -9.569 1.00 1.30 H new ATOM 0 HA ALA B 67 -10.857 6.190 -7.858 1.00 1.26 H new ATOM 0 HB1 ALA B 67 -9.673 7.012 -9.910 1.00 1.48 H new ATOM 0 HB2 ALA B 67 -10.700 5.600 -10.259 1.00 1.48 H new ATOM 0 HB3 ALA B 67 -11.250 7.233 -10.705 1.00 1.48 H new ATOM 1866 N LEU B 68 -10.124 8.551 -7.534 1.00 1.16 N ATOM 1867 CA LEU B 68 -9.818 9.892 -7.062 1.00 1.29 C ATOM 1868 C LEU B 68 -9.264 10.742 -8.203 1.00 1.56 C ATOM 1869 O LEU B 68 -8.937 10.198 -9.259 1.00 1.55 O ATOM 1870 CB LEU B 68 -8.803 9.802 -5.917 1.00 1.25 C ATOM 1871 CG LEU B 68 -9.346 9.206 -4.617 1.00 1.19 C ATOM 1872 CD1 LEU B 68 -8.220 8.966 -3.626 1.00 1.21 C ATOM 1873 CD2 LEU B 68 -10.396 10.126 -4.013 1.00 1.18 C ATOM 0 H LEU B 68 -9.388 7.870 -7.346 1.00 1.16 H new ATOM 0 HA LEU B 68 -10.729 10.367 -6.699 1.00 1.29 H new ATOM 0 HB2 LEU B 68 -7.956 9.201 -6.249 1.00 1.25 H new ATOM 0 HB3 LEU B 68 -8.422 10.802 -5.709 1.00 1.25 H new ATOM 0 HG LEU B 68 -9.811 8.247 -4.846 1.00 1.19 H new ATOM 0 HD11 LEU B 68 -8.627 8.542 -2.708 1.00 1.21 H new ATOM 0 HD12 LEU B 68 -7.498 8.273 -4.057 1.00 1.21 H new ATOM 0 HD13 LEU B 68 -7.726 9.911 -3.401 1.00 1.21 H new ATOM 0 HD21 LEU B 68 -10.774 9.689 -3.088 1.00 1.18 H new ATOM 0 HD22 LEU B 68 -9.949 11.097 -3.800 1.00 1.18 H new ATOM 0 HD23 LEU B 68 -11.218 10.252 -4.717 1.00 1.18 H new ATOM 1885 N PRO B 69 -9.174 12.082 -8.023 1.00 1.93 N ATOM 1886 CA PRO B 69 -8.600 13.000 -9.014 1.00 2.36 C ATOM 1887 C PRO B 69 -7.357 12.430 -9.698 1.00 2.25 C ATOM 1888 O PRO B 69 -7.245 12.448 -10.926 1.00 2.62 O ATOM 1889 CB PRO B 69 -8.233 14.246 -8.184 1.00 2.75 C ATOM 1890 CG PRO B 69 -8.671 13.959 -6.778 1.00 2.57 C ATOM 1891 CD PRO B 69 -9.656 12.829 -6.859 1.00 2.06 C ATOM 0 HA PRO B 69 -9.299 13.201 -9.826 1.00 2.36 H new ATOM 0 HB2 PRO B 69 -7.161 14.439 -8.226 1.00 2.75 H new ATOM 0 HB3 PRO B 69 -8.732 15.133 -8.573 1.00 2.75 H new ATOM 0 HG2 PRO B 69 -7.819 13.687 -6.155 1.00 2.57 H new ATOM 0 HG3 PRO B 69 -9.128 14.840 -6.327 1.00 2.57 H new ATOM 0 HD2 PRO B 69 -9.653 12.220 -5.955 1.00 2.06 H new ATOM 0 HD3 PRO B 69 -10.676 13.187 -6.999 1.00 2.06 H new ATOM 1899 N GLN B 70 -6.435 11.918 -8.899 1.00 1.85 N ATOM 1900 CA GLN B 70 -5.259 11.241 -9.421 1.00 1.82 C ATOM 1901 C GLN B 70 -5.038 9.964 -8.635 1.00 1.41 C ATOM 1902 O GLN B 70 -5.453 9.865 -7.477 1.00 1.29 O ATOM 1903 CB GLN B 70 -4.020 12.138 -9.326 1.00 1.93 C ATOM 1904 CG GLN B 70 -3.502 12.339 -7.908 1.00 1.65 C ATOM 1905 CD GLN B 70 -2.279 13.229 -7.865 1.00 2.18 C ATOM 1906 OE1 GLN B 70 -2.382 14.445 -7.716 1.00 2.66 O ATOM 1907 NE2 GLN B 70 -1.111 12.629 -8.004 1.00 2.76 N ATOM 0 H GLN B 70 -6.479 11.959 -7.881 1.00 1.85 H new ATOM 0 HA GLN B 70 -5.422 11.008 -10.473 1.00 1.82 H new ATOM 0 HB2 GLN B 70 -3.225 11.706 -9.933 1.00 1.93 H new ATOM 0 HB3 GLN B 70 -4.256 13.111 -9.756 1.00 1.93 H new ATOM 0 HG2 GLN B 70 -4.289 12.777 -7.294 1.00 1.65 H new ATOM 0 HG3 GLN B 70 -3.259 11.370 -7.471 1.00 1.65 H new ATOM 0 HE21 GLN B 70 -1.069 11.617 -8.125 1.00 2.76 H new ATOM 0 HE22 GLN B 70 -0.251 13.177 -7.990 1.00 2.76 H new ATOM 1916 N THR B 71 -4.407 8.980 -9.253 1.00 1.34 N ATOM 1917 CA THR B 71 -4.099 7.755 -8.553 1.00 1.13 C ATOM 1918 C THR B 71 -3.003 8.012 -7.524 1.00 0.85 C ATOM 1919 O THR B 71 -2.081 8.803 -7.749 1.00 0.83 O ATOM 1920 CB THR B 71 -3.677 6.642 -9.535 1.00 1.22 C ATOM 1921 OG1 THR B 71 -2.845 7.181 -10.573 1.00 1.53 O ATOM 1922 CG2 THR B 71 -4.898 5.976 -10.152 1.00 1.55 C ATOM 0 H THR B 71 -4.103 9.008 -10.226 1.00 1.34 H new ATOM 0 HA THR B 71 -4.997 7.414 -8.038 1.00 1.13 H new ATOM 0 HB THR B 71 -3.114 5.894 -8.976 1.00 1.22 H new ATOM 0 HG1 THR B 71 -2.583 6.464 -11.188 1.00 1.53 H new ATOM 0 HG21 THR B 71 -4.577 5.195 -10.841 1.00 1.55 H new ATOM 0 HG22 THR B 71 -5.510 5.536 -9.364 1.00 1.55 H new ATOM 0 HG23 THR B 71 -5.483 6.719 -10.694 1.00 1.55 H new ATOM 1930 N LEU B 72 -3.109 7.319 -6.401 1.00 0.80 N ATOM 1931 CA LEU B 72 -2.278 7.595 -5.236 1.00 0.66 C ATOM 1932 C LEU B 72 -0.798 7.240 -5.422 1.00 0.66 C ATOM 1933 O LEU B 72 0.034 7.860 -4.779 1.00 0.67 O ATOM 1934 CB LEU B 72 -2.842 6.894 -4.003 1.00 0.78 C ATOM 1935 CG LEU B 72 -4.286 7.264 -3.658 1.00 0.97 C ATOM 1936 CD1 LEU B 72 -4.656 6.731 -2.286 1.00 1.47 C ATOM 1937 CD2 LEU B 72 -4.482 8.772 -3.726 1.00 1.79 C ATOM 0 H LEU B 72 -3.769 6.553 -6.270 1.00 0.80 H new ATOM 0 HA LEU B 72 -2.309 8.676 -5.097 1.00 0.66 H new ATOM 0 HB2 LEU B 72 -2.785 5.816 -4.157 1.00 0.78 H new ATOM 0 HB3 LEU B 72 -2.208 7.128 -3.148 1.00 0.78 H new ATOM 0 HG LEU B 72 -4.947 6.804 -4.392 1.00 0.97 H new ATOM 0 HD11 LEU B 72 -5.686 7.003 -2.056 1.00 1.47 H new ATOM 0 HD12 LEU B 72 -4.557 5.646 -2.278 1.00 1.47 H new ATOM 0 HD13 LEU B 72 -3.991 7.161 -1.537 1.00 1.47 H new ATOM 0 HD21 LEU B 72 -5.515 9.016 -3.478 1.00 1.79 H new ATOM 0 HD22 LEU B 72 -3.813 9.258 -3.016 1.00 1.79 H new ATOM 0 HD23 LEU B 72 -4.258 9.123 -4.733 1.00 1.79 H new ATOM 1949 N PRO B 73 -0.436 6.219 -6.239 1.00 0.75 N ATOM 1950 CA PRO B 73 0.960 5.960 -6.615 1.00 0.84 C ATOM 1951 C PRO B 73 1.797 7.229 -6.815 1.00 0.80 C ATOM 1952 O PRO B 73 2.917 7.322 -6.310 1.00 0.82 O ATOM 1953 CB PRO B 73 0.797 5.204 -7.925 1.00 1.03 C ATOM 1954 CG PRO B 73 -0.429 4.385 -7.711 1.00 1.06 C ATOM 1955 CD PRO B 73 -1.321 5.175 -6.790 1.00 0.84 C ATOM 0 HA PRO B 73 1.502 5.423 -5.836 1.00 0.84 H new ATOM 0 HB2 PRO B 73 0.681 5.885 -8.768 1.00 1.03 H new ATOM 0 HB3 PRO B 73 1.664 4.579 -8.137 1.00 1.03 H new ATOM 0 HG2 PRO B 73 -0.931 4.184 -8.658 1.00 1.06 H new ATOM 0 HG3 PRO B 73 -0.178 3.419 -7.272 1.00 1.06 H new ATOM 0 HD2 PRO B 73 -2.164 5.610 -7.328 1.00 0.84 H new ATOM 0 HD3 PRO B 73 -1.736 4.547 -6.001 1.00 0.84 H new ATOM 1963 N GLU B 74 1.251 8.211 -7.530 1.00 0.78 N ATOM 1964 CA GLU B 74 1.966 9.462 -7.751 1.00 0.78 C ATOM 1965 C GLU B 74 1.997 10.296 -6.472 1.00 0.64 C ATOM 1966 O GLU B 74 2.991 10.950 -6.169 1.00 0.64 O ATOM 1967 CB GLU B 74 1.336 10.270 -8.883 1.00 0.86 C ATOM 1968 CG GLU B 74 2.187 11.459 -9.297 1.00 1.21 C ATOM 1969 CD GLU B 74 1.508 12.342 -10.320 1.00 1.47 C ATOM 1970 OE1 GLU B 74 1.347 11.904 -11.478 1.00 1.67 O ATOM 1971 OE2 GLU B 74 1.140 13.483 -9.974 1.00 2.27 O ATOM 0 H GLU B 74 0.327 8.165 -7.961 1.00 0.78 H new ATOM 0 HA GLU B 74 2.987 9.211 -8.038 1.00 0.78 H new ATOM 0 HB2 GLU B 74 1.181 9.621 -9.745 1.00 0.86 H new ATOM 0 HB3 GLU B 74 0.354 10.623 -8.569 1.00 0.86 H new ATOM 0 HG2 GLU B 74 2.427 12.052 -8.415 1.00 1.21 H new ATOM 0 HG3 GLU B 74 3.131 11.099 -9.705 1.00 1.21 H new ATOM 1978 N ILE B 75 0.905 10.268 -5.719 1.00 0.58 N ATOM 1979 CA ILE B 75 0.855 10.933 -4.422 1.00 0.53 C ATOM 1980 C ILE B 75 1.936 10.371 -3.508 1.00 0.49 C ATOM 1981 O ILE B 75 2.584 11.110 -2.762 1.00 0.53 O ATOM 1982 CB ILE B 75 -0.529 10.766 -3.746 1.00 0.60 C ATOM 1983 CG1 ILE B 75 -1.589 11.572 -4.493 1.00 0.74 C ATOM 1984 CG2 ILE B 75 -0.480 11.183 -2.281 1.00 0.68 C ATOM 1985 CD1 ILE B 75 -1.349 13.061 -4.441 1.00 1.37 C ATOM 0 H ILE B 75 0.042 9.792 -5.983 1.00 0.58 H new ATOM 0 HA ILE B 75 1.025 11.996 -4.590 1.00 0.53 H new ATOM 0 HB ILE B 75 -0.797 9.710 -3.787 1.00 0.60 H new ATOM 0 HG12 ILE B 75 -1.614 11.251 -5.534 1.00 0.74 H new ATOM 0 HG13 ILE B 75 -2.569 11.353 -4.068 1.00 0.74 H new ATOM 0 HG21 ILE B 75 -1.465 11.055 -1.833 1.00 0.68 H new ATOM 0 HG22 ILE B 75 0.243 10.564 -1.750 1.00 0.68 H new ATOM 0 HG23 ILE B 75 -0.183 12.229 -2.210 1.00 0.68 H new ATOM 0 HD11 ILE B 75 -2.137 13.576 -4.990 1.00 1.37 H new ATOM 0 HD12 ILE B 75 -1.353 13.394 -3.403 1.00 1.37 H new ATOM 0 HD13 ILE B 75 -0.383 13.290 -4.892 1.00 1.37 H new ATOM 1997 N PHE B 76 2.140 9.062 -3.598 1.00 0.50 N ATOM 1998 CA PHE B 76 3.132 8.382 -2.784 1.00 0.56 C ATOM 1999 C PHE B 76 4.525 8.937 -3.056 1.00 0.59 C ATOM 2000 O PHE B 76 5.296 9.157 -2.134 1.00 0.72 O ATOM 2001 CB PHE B 76 3.130 6.869 -3.049 1.00 0.65 C ATOM 2002 CG PHE B 76 1.813 6.177 -2.794 1.00 2.06 C ATOM 2003 CD1 PHE B 76 0.881 6.703 -1.913 1.00 2.12 C ATOM 2004 CD2 PHE B 76 1.514 4.991 -3.447 1.00 2.34 C ATOM 2005 CE1 PHE B 76 -0.320 6.056 -1.689 1.00 2.24 C ATOM 2006 CE2 PHE B 76 0.316 4.341 -3.225 1.00 2.35 C ATOM 2007 CZ PHE B 76 -0.602 4.874 -2.345 1.00 2.37 C ATOM 0 H PHE B 76 1.626 8.450 -4.232 1.00 0.50 H new ATOM 0 HA PHE B 76 2.869 8.557 -1.741 1.00 0.56 H new ATOM 0 HB2 PHE B 76 3.419 6.697 -4.086 1.00 0.65 H new ATOM 0 HB3 PHE B 76 3.894 6.405 -2.424 1.00 0.65 H new ATOM 0 HD1 PHE B 76 1.095 7.627 -1.397 1.00 2.12 H new ATOM 0 HD2 PHE B 76 2.228 4.570 -4.139 1.00 2.34 H new ATOM 0 HE1 PHE B 76 -1.038 6.475 -1.000 1.00 2.24 H new ATOM 0 HE2 PHE B 76 0.098 3.417 -3.740 1.00 2.35 H new ATOM 0 HZ PHE B 76 -1.540 4.368 -2.169 1.00 2.37 H new ATOM 2017 N GLU B 77 4.840 9.178 -4.321 1.00 0.62 N ATOM 2018 CA GLU B 77 6.168 9.661 -4.685 1.00 0.73 C ATOM 2019 C GLU B 77 6.284 11.169 -4.454 1.00 0.69 C ATOM 2020 O GLU B 77 7.381 11.693 -4.245 1.00 0.79 O ATOM 2021 CB GLU B 77 6.480 9.325 -6.149 1.00 0.89 C ATOM 2022 CG GLU B 77 5.634 10.088 -7.151 1.00 1.56 C ATOM 2023 CD GLU B 77 5.938 9.712 -8.583 1.00 1.93 C ATOM 2024 OE1 GLU B 77 5.366 8.721 -9.079 1.00 2.40 O ATOM 2025 OE2 GLU B 77 6.751 10.408 -9.221 1.00 2.51 O ATOM 0 H GLU B 77 4.202 9.049 -5.107 1.00 0.62 H new ATOM 0 HA GLU B 77 6.895 9.159 -4.047 1.00 0.73 H new ATOM 0 HB2 GLU B 77 7.532 9.535 -6.343 1.00 0.89 H new ATOM 0 HB3 GLU B 77 6.334 8.256 -6.305 1.00 0.89 H new ATOM 0 HG2 GLU B 77 4.580 9.900 -6.947 1.00 1.56 H new ATOM 0 HG3 GLU B 77 5.798 11.157 -7.018 1.00 1.56 H new ATOM 2032 N ALA B 78 5.151 11.856 -4.494 1.00 0.60 N ATOM 2033 CA ALA B 78 5.126 13.309 -4.399 1.00 0.61 C ATOM 2034 C ALA B 78 5.065 13.797 -2.953 1.00 0.60 C ATOM 2035 O ALA B 78 5.999 14.427 -2.460 1.00 0.64 O ATOM 2036 CB ALA B 78 3.948 13.857 -5.190 1.00 0.64 C ATOM 0 H ALA B 78 4.231 11.427 -4.592 1.00 0.60 H new ATOM 0 HA ALA B 78 6.059 13.681 -4.822 1.00 0.61 H new ATOM 0 HB1 ALA B 78 3.934 14.944 -5.116 1.00 0.64 H new ATOM 0 HB2 ALA B 78 4.045 13.566 -6.236 1.00 0.64 H new ATOM 0 HB3 ALA B 78 3.019 13.454 -4.786 1.00 0.64 H new ATOM 2042 N ALA B 79 3.971 13.483 -2.271 1.00 0.64 N ATOM 2043 CA ALA B 79 3.701 14.036 -0.946 1.00 0.75 C ATOM 2044 C ALA B 79 4.631 13.460 0.111 1.00 0.86 C ATOM 2045 O ALA B 79 4.932 14.109 1.113 1.00 0.99 O ATOM 2046 CB ALA B 79 2.250 13.786 -0.564 1.00 0.83 C ATOM 0 H ALA B 79 3.252 12.846 -2.614 1.00 0.64 H new ATOM 0 HA ALA B 79 3.885 15.109 -0.991 1.00 0.75 H new ATOM 0 HB1 ALA B 79 2.057 14.201 0.425 1.00 0.83 H new ATOM 0 HB2 ALA B 79 1.595 14.264 -1.292 1.00 0.83 H new ATOM 0 HB3 ALA B 79 2.057 12.713 -0.551 1.00 0.83 H new ATOM 2052 N ALA B 80 5.093 12.242 -0.121 1.00 0.90 N ATOM 2053 CA ALA B 80 5.942 11.555 0.839 1.00 1.11 C ATOM 2054 C ALA B 80 7.365 12.098 0.818 1.00 1.26 C ATOM 2055 O ALA B 80 8.115 11.930 1.778 1.00 1.55 O ATOM 2056 CB ALA B 80 5.941 10.067 0.560 1.00 1.25 C ATOM 0 H ALA B 80 4.894 11.708 -0.967 1.00 0.90 H new ATOM 0 HA ALA B 80 5.536 11.734 1.835 1.00 1.11 H new ATOM 0 HB1 ALA B 80 6.580 9.561 1.284 1.00 1.25 H new ATOM 0 HB2 ALA B 80 4.924 9.682 0.641 1.00 1.25 H new ATOM 0 HB3 ALA B 80 6.318 9.885 -0.446 1.00 1.25 H new ATOM 2062 N THR B 81 7.734 12.761 -0.268 1.00 1.23 N ATOM 2063 CA THR B 81 9.076 13.302 -0.401 1.00 1.46 C ATOM 2064 C THR B 81 9.100 14.786 -0.052 1.00 1.63 C ATOM 2065 O THR B 81 10.053 15.499 -0.369 1.00 1.88 O ATOM 2066 CB THR B 81 9.629 13.088 -1.825 1.00 1.59 C ATOM 2067 OG1 THR B 81 8.695 13.573 -2.799 1.00 2.33 O ATOM 2068 CG2 THR B 81 9.910 11.615 -2.079 1.00 1.64 C ATOM 0 H THR B 81 7.124 12.936 -1.067 1.00 1.23 H new ATOM 0 HA THR B 81 9.715 12.764 0.300 1.00 1.46 H new ATOM 0 HB THR B 81 10.562 13.644 -1.912 1.00 1.59 H new ATOM 0 HG1 THR B 81 8.293 12.815 -3.272 1.00 2.33 H new ATOM 0 HG21 THR B 81 10.299 11.488 -3.089 1.00 1.64 H new ATOM 0 HG22 THR B 81 10.645 11.255 -1.359 1.00 1.64 H new ATOM 0 HG23 THR B 81 8.987 11.045 -1.971 1.00 1.64 H new ATOM 2076 N GLY B 82 8.041 15.245 0.601 1.00 1.68 N ATOM 2077 CA GLY B 82 7.963 16.631 1.008 1.00 2.13 C ATOM 2078 C GLY B 82 6.540 17.143 1.020 1.00 1.99 C ATOM 2079 O GLY B 82 5.828 17.039 0.022 1.00 2.59 O ATOM 0 H GLY B 82 7.232 14.678 0.856 1.00 1.68 H new ATOM 0 HA2 GLY B 82 8.395 16.741 2.003 1.00 2.13 H new ATOM 0 HA3 GLY B 82 8.561 17.241 0.331 1.00 2.13 H new ATOM 2083 N LYS B 83 6.119 17.678 2.152 1.00 1.88 N ATOM 2084 CA LYS B 83 4.792 18.253 2.276 1.00 2.11 C ATOM 2085 C LYS B 83 4.774 19.654 1.676 1.00 2.84 C ATOM 2086 O LYS B 83 5.293 20.585 2.328 1.00 3.19 O ATOM 2087 CB LYS B 83 4.365 18.303 3.744 1.00 2.30 C ATOM 2088 CG LYS B 83 2.963 18.856 3.955 1.00 2.77 C ATOM 2089 CD LYS B 83 2.647 19.053 5.430 1.00 3.43 C ATOM 2090 CE LYS B 83 2.657 17.741 6.202 1.00 3.92 C ATOM 2091 NZ LYS B 83 1.597 16.806 5.741 1.00 4.40 N ATOM 2092 OXT LYS B 83 4.257 19.821 0.552 1.00 3.61 O ATOM 0 H LYS B 83 6.680 17.726 3.002 1.00 1.88 H new ATOM 0 HA LYS B 83 4.087 17.624 1.732 1.00 2.11 H new ATOM 0 HB2 LYS B 83 4.416 17.298 4.163 1.00 2.30 H new ATOM 0 HB3 LYS B 83 5.075 18.916 4.299 1.00 2.30 H new ATOM 0 HG2 LYS B 83 2.866 19.808 3.433 1.00 2.77 H new ATOM 0 HG3 LYS B 83 2.234 18.175 3.515 1.00 2.77 H new ATOM 0 HD2 LYS B 83 3.376 19.735 5.868 1.00 3.43 H new ATOM 0 HD3 LYS B 83 1.669 19.524 5.530 1.00 3.43 H new ATOM 0 HE2 LYS B 83 3.631 17.265 6.092 1.00 3.92 H new ATOM 0 HE3 LYS B 83 2.521 17.946 7.264 1.00 3.92 H new ATOM 0 HZ1 LYS B 83 1.686 15.903 6.248 1.00 4.40 H new ATOM 0 HZ2 LYS B 83 0.662 17.220 5.932 1.00 4.40 H new ATOM 0 HZ3 LYS B 83 1.700 16.641 4.719 1.00 4.40 H new TER 2106 LYS B 83