USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 769 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 55 ASN : amide:sc= -11.1! C(o=-21!,f=-16!) USER MOD Set 1.2: A 59 ASN : amide:sc= -10.1! C(o=-21!,f=-12!) USER MOD Single : A 1 MET CE :methyl 153:sc= -0.303 (180deg=-1.42!) USER MOD Single : A 1 MET N :NH3+ 179:sc= -0.538 (180deg=-0.56) USER MOD Single : A 4 LYS NZ :NH3+ 157:sc= -0.0258 (180deg=-0.598) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc=-0.00672 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 73:sc= 1.12 USER MOD Single : A 15 MET CE :methyl -156:sc= 0 (180deg=-0.465) USER MOD Single : A 18 GLN : amide:sc= -0.341 K(o=-0.34,f=-2.1) USER MOD Single : A 19 ASN : amide:sc= -0.277 K(o=-0.28,f=-0.98) USER MOD Single : A 23 LYS NZ :NH3+ 153:sc= -0.0999 (180deg=-0.77) USER MOD Single : A 24 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.155) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00583 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 31 TYR OH : rot -52:sc= 0.426 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 35 MET CE :methyl 165:sc= 0 (180deg=-0.0329) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0595 USER MOD Single : A 44 ASN : amide:sc=-0.00288 K(o=-0.0029,f=-1.1!) USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= -0.0845 (180deg=-0.655) USER MOD Single : A 46 GLN : amide:sc=-0.00628 K(o=-0.0063,f=-1.6!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 50 ASN : amide:sc= -0.0279 K(o=-0.028,f=-1.7!) USER MOD Single : A 51 SER OG : rot 102:sc= 0.0264 USER MOD Single : A 54 HIS : no HD1:sc= -1.07 X(o=-1.1,f=-0.74) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 162:sc= -0.0229 (180deg=-0.437) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.625 USER MOD Single : A 84 SER OG : rot 65:sc= 1.13 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -1.01 K(o=-1,f=-3.5!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.205 17.148 3.638 1.00 2.94 N ATOM 2 CA MET A 1 -22.999 17.931 4.029 1.00 2.23 C ATOM 3 C MET A 1 -21.755 17.061 3.861 1.00 1.94 C ATOM 4 O MET A 1 -20.722 17.307 4.453 1.00 2.16 O ATOM 5 CB MET A 1 -23.121 18.363 5.489 1.00 2.94 C ATOM 6 CG MET A 1 -24.227 19.408 5.616 1.00 3.46 C ATOM 7 SD MET A 1 -24.375 19.924 7.345 1.00 4.49 S ATOM 8 CE MET A 1 -22.748 20.706 7.499 1.00 4.81 C ATOM 0 H1 MET A 1 -25.055 17.732 3.768 1.00 2.94 H new ATOM 0 H2 MET A 1 -24.127 16.866 2.640 1.00 2.94 H new ATOM 0 H3 MET A 1 -24.275 16.298 4.233 1.00 2.94 H new ATOM 0 HA MET A 1 -22.918 18.814 3.395 1.00 2.23 H new ATOM 0 HB2 MET A 1 -23.345 17.501 6.118 1.00 2.94 H new ATOM 0 HB3 MET A 1 -22.174 18.775 5.839 1.00 2.94 H new ATOM 0 HG2 MET A 1 -24.002 20.269 4.986 1.00 3.46 H new ATOM 0 HG3 MET A 1 -25.173 18.996 5.266 1.00 3.46 H new ATOM 0 HE1 MET A 1 -22.788 21.481 8.265 1.00 4.81 H new ATOM 0 HE2 MET A 1 -22.009 19.956 7.780 1.00 4.81 H new ATOM 0 HE3 MET A 1 -22.467 21.152 6.545 1.00 4.81 H new ATOM 20 N LEU A 2 -21.850 16.039 3.059 1.00 1.58 N ATOM 21 CA LEU A 2 -20.682 15.143 2.851 1.00 1.33 C ATOM 22 C LEU A 2 -19.647 15.842 1.967 1.00 1.26 C ATOM 23 O LEU A 2 -19.979 16.518 1.013 1.00 1.38 O ATOM 24 CB LEU A 2 -21.141 13.855 2.167 1.00 1.20 C ATOM 25 CG LEU A 2 -22.268 13.207 2.978 1.00 1.42 C ATOM 26 CD1 LEU A 2 -22.713 11.921 2.279 1.00 1.51 C ATOM 27 CD2 LEU A 2 -21.780 12.886 4.399 1.00 1.71 C ATOM 0 H LEU A 2 -22.689 15.785 2.537 1.00 1.58 H new ATOM 0 HA LEU A 2 -20.235 14.906 3.817 1.00 1.33 H new ATOM 0 HB2 LEU A 2 -21.487 14.073 1.157 1.00 1.20 H new ATOM 0 HB3 LEU A 2 -20.303 13.163 2.075 1.00 1.20 H new ATOM 0 HG LEU A 2 -23.108 13.898 3.046 1.00 1.42 H new ATOM 0 HD11 LEU A 2 -23.515 11.455 2.851 1.00 1.51 H new ATOM 0 HD12 LEU A 2 -23.072 12.157 1.277 1.00 1.51 H new ATOM 0 HD13 LEU A 2 -21.870 11.234 2.210 1.00 1.51 H new ATOM 0 HD21 LEU A 2 -22.589 12.426 4.966 1.00 1.71 H new ATOM 0 HD22 LEU A 2 -20.936 12.198 4.347 1.00 1.71 H new ATOM 0 HD23 LEU A 2 -21.468 13.806 4.893 1.00 1.71 H new ATOM 39 N VAL A 3 -18.391 15.672 2.277 1.00 1.21 N ATOM 40 CA VAL A 3 -17.309 16.306 1.466 1.00 1.22 C ATOM 41 C VAL A 3 -16.155 15.312 1.321 1.00 0.99 C ATOM 42 O VAL A 3 -15.859 14.562 2.230 1.00 0.93 O ATOM 43 CB VAL A 3 -16.808 17.569 2.173 1.00 1.52 C ATOM 44 CG1 VAL A 3 -17.922 18.616 2.200 1.00 1.79 C ATOM 45 CG2 VAL A 3 -16.391 17.230 3.609 1.00 1.68 C ATOM 0 H VAL A 3 -18.063 15.115 3.066 1.00 1.21 H new ATOM 0 HA VAL A 3 -17.695 16.576 0.483 1.00 1.22 H new ATOM 0 HB VAL A 3 -15.948 17.965 1.633 1.00 1.52 H new ATOM 0 HG11 VAL A 3 -17.565 19.514 2.703 1.00 1.79 H new ATOM 0 HG12 VAL A 3 -18.214 18.863 1.179 1.00 1.79 H new ATOM 0 HG13 VAL A 3 -18.783 18.217 2.737 1.00 1.79 H new ATOM 0 HG21 VAL A 3 -16.035 18.132 4.107 1.00 1.68 H new ATOM 0 HG22 VAL A 3 -17.247 16.829 4.152 1.00 1.68 H new ATOM 0 HG23 VAL A 3 -15.593 16.487 3.591 1.00 1.68 H new ATOM 55 N LYS A 4 -15.496 15.292 0.196 1.00 0.99 N ATOM 56 CA LYS A 4 -14.367 14.333 0.034 1.00 0.86 C ATOM 57 C LYS A 4 -13.210 14.786 0.932 1.00 0.78 C ATOM 58 O LYS A 4 -13.039 15.967 1.160 1.00 0.97 O ATOM 59 CB LYS A 4 -13.911 14.321 -1.429 1.00 1.03 C ATOM 60 CG LYS A 4 -13.370 15.703 -1.815 1.00 1.55 C ATOM 61 CD LYS A 4 -13.308 15.834 -3.341 1.00 2.26 C ATOM 62 CE LYS A 4 -13.043 17.293 -3.722 1.00 2.96 C ATOM 63 NZ LYS A 4 -11.935 17.834 -2.886 1.00 3.69 N ATOM 0 H LYS A 4 -15.686 15.889 -0.609 1.00 0.99 H new ATOM 0 HA LYS A 4 -14.685 13.329 0.315 1.00 0.86 H new ATOM 0 HB2 LYS A 4 -13.139 13.565 -1.573 1.00 1.03 H new ATOM 0 HB3 LYS A 4 -14.745 14.053 -2.077 1.00 1.03 H new ATOM 0 HG2 LYS A 4 -14.010 16.482 -1.401 1.00 1.55 H new ATOM 0 HG3 LYS A 4 -12.377 15.846 -1.389 1.00 1.55 H new ATOM 0 HD2 LYS A 4 -12.520 15.195 -3.739 1.00 2.26 H new ATOM 0 HD3 LYS A 4 -14.245 15.497 -3.783 1.00 2.26 H new ATOM 0 HE2 LYS A 4 -12.782 17.362 -4.778 1.00 2.96 H new ATOM 0 HE3 LYS A 4 -13.945 17.887 -3.577 1.00 2.96 H new ATOM 0 HZ1 LYS A 4 -11.496 18.642 -3.372 1.00 3.69 H new ATOM 0 HZ2 LYS A 4 -12.313 18.146 -1.969 1.00 3.69 H new ATOM 0 HZ3 LYS A 4 -11.222 17.093 -2.733 1.00 3.69 H new ATOM 77 N PRO A 5 -12.416 13.878 1.447 1.00 0.59 N ATOM 78 CA PRO A 5 -11.272 14.241 2.330 1.00 0.58 C ATOM 79 C PRO A 5 -10.019 14.642 1.523 1.00 0.56 C ATOM 80 O PRO A 5 -9.562 13.884 0.691 1.00 0.67 O ATOM 81 CB PRO A 5 -11.025 12.943 3.091 1.00 0.62 C ATOM 82 CG PRO A 5 -11.322 11.885 2.086 1.00 0.73 C ATOM 83 CD PRO A 5 -12.505 12.414 1.268 1.00 0.58 C ATOM 0 HA PRO A 5 -11.484 15.101 2.965 1.00 0.58 H new ATOM 0 HB2 PRO A 5 -9.998 12.878 3.450 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -11.673 12.860 3.963 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -10.458 11.696 1.449 1.00 0.73 H new ATOM 0 HG3 PRO A 5 -11.572 10.942 2.572 1.00 0.73 H new ATOM 0 HD2 PRO A 5 -12.426 12.132 0.218 1.00 0.58 H new ATOM 0 HD3 PRO A 5 -13.454 12.021 1.633 1.00 0.58 H new ATOM 91 N PRO A 6 -9.461 15.811 1.750 1.00 0.55 N ATOM 92 CA PRO A 6 -8.248 16.280 1.013 1.00 0.57 C ATOM 93 C PRO A 6 -7.174 15.198 0.817 1.00 0.51 C ATOM 94 O PRO A 6 -6.240 15.386 0.062 1.00 0.70 O ATOM 95 CB PRO A 6 -7.713 17.404 1.903 1.00 0.67 C ATOM 96 CG PRO A 6 -8.930 17.991 2.539 1.00 0.84 C ATOM 97 CD PRO A 6 -9.916 16.831 2.720 1.00 0.68 C ATOM 0 HA PRO A 6 -8.502 16.584 -0.003 1.00 0.57 H new ATOM 0 HB2 PRO A 6 -7.020 17.021 2.652 1.00 0.67 H new ATOM 0 HB3 PRO A 6 -7.172 18.149 1.319 1.00 0.67 H new ATOM 0 HG2 PRO A 6 -8.686 18.449 3.498 1.00 0.84 H new ATOM 0 HG3 PRO A 6 -9.359 18.773 1.912 1.00 0.84 H new ATOM 0 HD2 PRO A 6 -9.896 16.447 3.740 1.00 0.68 H new ATOM 0 HD3 PRO A 6 -10.940 17.144 2.517 1.00 0.68 H new ATOM 105 N TYR A 7 -7.273 14.079 1.485 1.00 0.42 N ATOM 106 CA TYR A 7 -6.222 13.034 1.308 1.00 0.36 C ATOM 107 C TYR A 7 -6.215 12.558 -0.143 1.00 0.34 C ATOM 108 O TYR A 7 -7.250 12.365 -0.751 1.00 0.36 O ATOM 109 CB TYR A 7 -6.498 11.820 2.205 1.00 0.34 C ATOM 110 CG TYR A 7 -6.782 12.249 3.629 1.00 0.37 C ATOM 111 CD1 TYR A 7 -5.928 13.139 4.299 1.00 1.10 C ATOM 112 CD2 TYR A 7 -7.915 11.751 4.283 1.00 1.12 C ATOM 113 CE1 TYR A 7 -6.214 13.525 5.615 1.00 1.11 C ATOM 114 CE2 TYR A 7 -8.201 12.137 5.594 1.00 1.15 C ATOM 115 CZ TYR A 7 -7.351 13.025 6.262 1.00 0.47 C ATOM 116 OH TYR A 7 -7.633 13.409 7.557 1.00 0.54 O ATOM 0 H TYR A 7 -8.023 13.845 2.135 1.00 0.42 H new ATOM 0 HA TYR A 7 -5.262 13.474 1.578 1.00 0.36 H new ATOM 0 HB2 TYR A 7 -7.348 11.260 1.814 1.00 0.34 H new ATOM 0 HB3 TYR A 7 -5.639 11.149 2.188 1.00 0.34 H new ATOM 0 HD1 TYR A 7 -5.051 13.526 3.801 1.00 1.10 H new ATOM 0 HD2 TYR A 7 -8.572 11.064 3.770 1.00 1.12 H new ATOM 0 HE1 TYR A 7 -5.557 14.209 6.131 1.00 1.11 H new ATOM 0 HE2 TYR A 7 -9.078 11.750 6.092 1.00 1.15 H new ATOM 0 HH TYR A 7 -8.458 12.972 7.856 1.00 0.54 H new ATOM 126 N SER A 8 -5.054 12.337 -0.695 1.00 0.35 N ATOM 127 CA SER A 8 -4.980 11.840 -2.094 1.00 0.38 C ATOM 128 C SER A 8 -5.248 10.335 -2.071 1.00 0.32 C ATOM 129 O SER A 8 -5.260 9.720 -1.023 1.00 0.30 O ATOM 130 CB SER A 8 -3.587 12.105 -2.665 1.00 0.46 C ATOM 131 OG SER A 8 -3.588 11.807 -4.053 1.00 1.39 O ATOM 0 H SER A 8 -4.154 12.480 -0.236 1.00 0.35 H new ATOM 0 HA SER A 8 -5.714 12.350 -2.717 1.00 0.38 H new ATOM 0 HB2 SER A 8 -3.307 13.146 -2.504 1.00 0.46 H new ATOM 0 HB3 SER A 8 -2.847 11.493 -2.150 1.00 0.46 H new ATOM 0 HG SER A 8 -2.697 11.977 -4.425 1.00 1.39 H new ATOM 137 N TYR A 9 -5.463 9.730 -3.204 1.00 0.34 N ATOM 138 CA TYR A 9 -5.728 8.265 -3.210 1.00 0.34 C ATOM 139 C TYR A 9 -4.522 7.536 -2.616 1.00 0.35 C ATOM 140 O TYR A 9 -4.663 6.582 -1.880 1.00 0.36 O ATOM 141 CB TYR A 9 -5.969 7.788 -4.643 1.00 0.39 C ATOM 142 CG TYR A 9 -7.288 8.335 -5.128 1.00 0.39 C ATOM 143 CD1 TYR A 9 -8.473 7.639 -4.860 1.00 1.21 C ATOM 144 CD2 TYR A 9 -7.330 9.536 -5.844 1.00 1.32 C ATOM 145 CE1 TYR A 9 -9.699 8.145 -5.307 1.00 1.23 C ATOM 146 CE2 TYR A 9 -8.555 10.043 -6.292 1.00 1.32 C ATOM 147 CZ TYR A 9 -9.741 9.348 -6.023 1.00 0.44 C ATOM 148 OH TYR A 9 -10.949 9.847 -6.464 1.00 0.50 O ATOM 0 H TYR A 9 -5.467 10.181 -4.119 1.00 0.34 H new ATOM 0 HA TYR A 9 -6.615 8.051 -2.613 1.00 0.34 H new ATOM 0 HB2 TYR A 9 -5.161 8.124 -5.292 1.00 0.39 H new ATOM 0 HB3 TYR A 9 -5.977 6.699 -4.681 1.00 0.39 H new ATOM 0 HD1 TYR A 9 -8.441 6.711 -4.308 1.00 1.21 H new ATOM 0 HD2 TYR A 9 -6.416 10.073 -6.051 1.00 1.32 H new ATOM 0 HE1 TYR A 9 -10.613 7.608 -5.100 1.00 1.23 H new ATOM 0 HE2 TYR A 9 -8.586 10.970 -6.845 1.00 1.32 H new ATOM 0 HH TYR A 9 -10.800 10.689 -6.942 1.00 0.50 H new ATOM 158 N ILE A 10 -3.337 7.977 -2.937 1.00 0.38 N ATOM 159 CA ILE A 10 -2.121 7.309 -2.395 1.00 0.42 C ATOM 160 C ILE A 10 -2.117 7.429 -0.868 1.00 0.38 C ATOM 161 O ILE A 10 -1.775 6.501 -0.163 1.00 0.39 O ATOM 162 CB ILE A 10 -0.873 7.998 -2.959 1.00 0.50 C ATOM 163 CG1 ILE A 10 -0.859 7.912 -4.493 1.00 0.61 C ATOM 164 CG2 ILE A 10 0.382 7.325 -2.399 1.00 0.51 C ATOM 165 CD1 ILE A 10 -1.005 6.461 -4.967 1.00 0.96 C ATOM 0 H ILE A 10 -3.158 8.771 -3.551 1.00 0.38 H new ATOM 0 HA ILE A 10 -2.121 6.257 -2.681 1.00 0.42 H new ATOM 0 HB ILE A 10 -0.890 9.048 -2.665 1.00 0.50 H new ATOM 0 HG12 ILE A 10 -1.670 8.514 -4.901 1.00 0.61 H new ATOM 0 HG13 ILE A 10 0.072 8.331 -4.875 1.00 0.61 H new ATOM 0 HG21 ILE A 10 1.268 7.816 -2.801 1.00 0.51 H new ATOM 0 HG22 ILE A 10 0.384 7.406 -1.312 1.00 0.51 H new ATOM 0 HG23 ILE A 10 0.389 6.273 -2.685 1.00 0.51 H new ATOM 0 HD11 ILE A 10 -0.992 6.431 -6.057 1.00 0.96 H new ATOM 0 HD12 ILE A 10 -0.179 5.866 -4.578 1.00 0.96 H new ATOM 0 HD13 ILE A 10 -1.948 6.053 -4.604 1.00 0.96 H new ATOM 177 N ALA A 11 -2.486 8.571 -0.352 1.00 0.36 N ATOM 178 CA ALA A 11 -2.495 8.756 1.129 1.00 0.36 C ATOM 179 C ALA A 11 -3.571 7.873 1.764 1.00 0.32 C ATOM 180 O ALA A 11 -3.351 7.263 2.790 1.00 0.32 O ATOM 181 CB ALA A 11 -2.787 10.225 1.454 1.00 0.38 C ATOM 0 H ALA A 11 -2.782 9.384 -0.892 1.00 0.36 H new ATOM 0 HA ALA A 11 -1.521 8.474 1.529 1.00 0.36 H new ATOM 0 HB1 ALA A 11 -2.794 10.364 2.535 1.00 0.38 H new ATOM 0 HB2 ALA A 11 -2.015 10.856 1.012 1.00 0.38 H new ATOM 0 HB3 ALA A 11 -3.759 10.502 1.046 1.00 0.38 H new ATOM 187 N LEU A 12 -4.731 7.793 1.172 1.00 0.32 N ATOM 188 CA LEU A 12 -5.802 6.942 1.766 1.00 0.31 C ATOM 189 C LEU A 12 -5.307 5.495 1.835 1.00 0.30 C ATOM 190 O LEU A 12 -5.539 4.793 2.798 1.00 0.32 O ATOM 191 CB LEU A 12 -7.060 7.015 0.897 1.00 0.33 C ATOM 192 CG LEU A 12 -7.695 8.407 1.018 1.00 0.34 C ATOM 193 CD1 LEU A 12 -8.796 8.548 -0.037 1.00 0.37 C ATOM 194 CD2 LEU A 12 -8.284 8.616 2.426 1.00 0.36 C ATOM 0 H LEU A 12 -4.983 8.276 0.309 1.00 0.32 H new ATOM 0 HA LEU A 12 -6.041 7.298 2.768 1.00 0.31 H new ATOM 0 HB2 LEU A 12 -6.807 6.810 -0.143 1.00 0.33 H new ATOM 0 HB3 LEU A 12 -7.773 6.252 1.208 1.00 0.33 H new ATOM 0 HG LEU A 12 -6.928 9.164 0.855 1.00 0.34 H new ATOM 0 HD11 LEU A 12 -9.252 9.535 0.043 1.00 0.37 H new ATOM 0 HD12 LEU A 12 -8.365 8.427 -1.031 1.00 0.37 H new ATOM 0 HD13 LEU A 12 -9.555 7.783 0.125 1.00 0.37 H new ATOM 0 HD21 LEU A 12 -8.729 9.609 2.490 1.00 0.36 H new ATOM 0 HD22 LEU A 12 -9.048 7.863 2.616 1.00 0.36 H new ATOM 0 HD23 LEU A 12 -7.492 8.525 3.169 1.00 0.36 H new ATOM 206 N ILE A 13 -4.618 5.051 0.820 1.00 0.31 N ATOM 207 CA ILE A 13 -4.092 3.655 0.821 1.00 0.32 C ATOM 208 C ILE A 13 -2.994 3.533 1.882 1.00 0.29 C ATOM 209 O ILE A 13 -2.893 2.546 2.582 1.00 0.30 O ATOM 210 CB ILE A 13 -3.506 3.342 -0.558 1.00 0.37 C ATOM 211 CG1 ILE A 13 -4.630 3.345 -1.599 1.00 0.42 C ATOM 212 CG2 ILE A 13 -2.832 1.966 -0.532 1.00 0.40 C ATOM 213 CD1 ILE A 13 -4.027 3.303 -3.006 1.00 0.49 C ATOM 0 H ILE A 13 -4.396 5.596 -0.013 1.00 0.31 H new ATOM 0 HA ILE A 13 -4.896 2.954 1.046 1.00 0.32 H new ATOM 0 HB ILE A 13 -2.766 4.098 -0.819 1.00 0.37 H new ATOM 0 HG12 ILE A 13 -5.283 2.486 -1.446 1.00 0.42 H new ATOM 0 HG13 ILE A 13 -5.245 4.237 -1.482 1.00 0.42 H new ATOM 0 HG21 ILE A 13 -2.416 1.746 -1.515 1.00 0.40 H new ATOM 0 HG22 ILE A 13 -2.032 1.966 0.209 1.00 0.40 H new ATOM 0 HG23 ILE A 13 -3.568 1.205 -0.271 1.00 0.40 H new ATOM 0 HD11 ILE A 13 -4.828 3.305 -3.745 1.00 0.49 H new ATOM 0 HD12 ILE A 13 -3.392 4.176 -3.156 1.00 0.49 H new ATOM 0 HD13 ILE A 13 -3.431 2.398 -3.120 1.00 0.49 H new ATOM 225 N THR A 14 -2.169 4.537 1.994 1.00 0.29 N ATOM 226 CA THR A 14 -1.066 4.505 2.997 1.00 0.31 C ATOM 227 C THR A 14 -1.635 4.448 4.418 1.00 0.32 C ATOM 228 O THR A 14 -1.117 3.764 5.279 1.00 0.34 O ATOM 229 CB THR A 14 -0.218 5.770 2.846 1.00 0.35 C ATOM 230 OG1 THR A 14 0.327 5.818 1.535 1.00 0.37 O ATOM 231 CG2 THR A 14 0.914 5.770 3.876 1.00 0.39 C ATOM 0 H THR A 14 -2.212 5.385 1.429 1.00 0.29 H new ATOM 0 HA THR A 14 -0.456 3.618 2.826 1.00 0.31 H new ATOM 0 HB THR A 14 -0.846 6.645 3.013 1.00 0.35 H new ATOM 0 HG1 THR A 14 -0.381 6.038 0.894 1.00 0.37 H new ATOM 0 HG21 THR A 14 1.511 6.674 3.760 1.00 0.39 H new ATOM 0 HG22 THR A 14 0.492 5.740 4.881 1.00 0.39 H new ATOM 0 HG23 THR A 14 1.546 4.895 3.722 1.00 0.39 H new ATOM 239 N MET A 15 -2.686 5.177 4.673 1.00 0.33 N ATOM 240 CA MET A 15 -3.280 5.188 6.041 1.00 0.37 C ATOM 241 C MET A 15 -3.842 3.808 6.380 1.00 0.34 C ATOM 242 O MET A 15 -3.717 3.330 7.490 1.00 0.36 O ATOM 243 CB MET A 15 -4.402 6.228 6.087 1.00 0.44 C ATOM 244 CG MET A 15 -3.791 7.627 6.007 1.00 0.49 C ATOM 245 SD MET A 15 -5.104 8.871 6.047 1.00 0.67 S ATOM 246 CE MET A 15 -4.043 10.315 5.796 1.00 1.14 C ATOM 0 H MET A 15 -3.161 5.768 3.991 1.00 0.33 H new ATOM 0 HA MET A 15 -2.510 5.441 6.770 1.00 0.37 H new ATOM 0 HB2 MET A 15 -5.094 6.072 5.259 1.00 0.44 H new ATOM 0 HB3 MET A 15 -4.977 6.121 7.007 1.00 0.44 H new ATOM 0 HG2 MET A 15 -3.105 7.782 6.839 1.00 0.49 H new ATOM 0 HG3 MET A 15 -3.209 7.728 5.091 1.00 0.49 H new ATOM 0 HE1 MET A 15 -4.535 11.202 6.196 1.00 1.14 H new ATOM 0 HE2 MET A 15 -3.094 10.163 6.311 1.00 1.14 H new ATOM 0 HE3 MET A 15 -3.860 10.451 4.730 1.00 1.14 H new ATOM 256 N ALA A 16 -4.461 3.166 5.432 1.00 0.32 N ATOM 257 CA ALA A 16 -5.033 1.819 5.696 1.00 0.31 C ATOM 258 C ALA A 16 -3.916 0.861 6.121 1.00 0.29 C ATOM 259 O ALA A 16 -4.033 0.152 7.100 1.00 0.31 O ATOM 260 CB ALA A 16 -5.695 1.310 4.416 1.00 0.31 C ATOM 0 H ALA A 16 -4.596 3.517 4.484 1.00 0.32 H new ATOM 0 HA ALA A 16 -5.771 1.876 6.496 1.00 0.31 H new ATOM 0 HB1 ALA A 16 -6.120 0.322 4.594 1.00 0.31 H new ATOM 0 HB2 ALA A 16 -6.487 1.997 4.118 1.00 0.31 H new ATOM 0 HB3 ALA A 16 -4.951 1.247 3.622 1.00 0.31 H new ATOM 266 N ILE A 17 -2.838 0.834 5.386 1.00 0.27 N ATOM 267 CA ILE A 17 -1.715 -0.081 5.738 1.00 0.28 C ATOM 268 C ILE A 17 -1.182 0.285 7.124 1.00 0.30 C ATOM 269 O ILE A 17 -1.008 -0.555 7.984 1.00 0.33 O ATOM 270 CB ILE A 17 -0.583 0.097 4.725 1.00 0.29 C ATOM 271 CG1 ILE A 17 -1.115 -0.159 3.316 1.00 0.29 C ATOM 272 CG2 ILE A 17 0.530 -0.907 5.034 1.00 0.33 C ATOM 273 CD1 ILE A 17 -0.067 0.277 2.286 1.00 0.32 C ATOM 0 H ILE A 17 -2.686 1.407 4.556 1.00 0.27 H new ATOM 0 HA ILE A 17 -2.071 -1.111 5.730 1.00 0.28 H new ATOM 0 HB ILE A 17 -0.193 1.113 4.788 1.00 0.29 H new ATOM 0 HG12 ILE A 17 -1.346 -1.217 3.190 1.00 0.29 H new ATOM 0 HG13 ILE A 17 -2.043 0.391 3.161 1.00 0.29 H new ATOM 0 HG21 ILE A 17 1.340 -0.785 4.315 1.00 0.33 H new ATOM 0 HG22 ILE A 17 0.909 -0.732 6.041 1.00 0.33 H new ATOM 0 HG23 ILE A 17 0.135 -1.921 4.967 1.00 0.33 H new ATOM 0 HD11 ILE A 17 -0.447 0.094 1.281 1.00 0.32 H new ATOM 0 HD12 ILE A 17 0.142 1.340 2.407 1.00 0.32 H new ATOM 0 HD13 ILE A 17 0.850 -0.293 2.436 1.00 0.32 H new ATOM 285 N GLN A 18 -0.906 1.542 7.325 1.00 0.32 N ATOM 286 CA GLN A 18 -0.362 2.002 8.636 1.00 0.36 C ATOM 287 C GLN A 18 -1.349 1.678 9.758 1.00 0.36 C ATOM 288 O GLN A 18 -0.968 1.281 10.842 1.00 0.38 O ATOM 289 CB GLN A 18 -0.138 3.513 8.582 1.00 0.44 C ATOM 290 CG GLN A 18 1.031 3.818 7.647 1.00 0.51 C ATOM 291 CD GLN A 18 1.154 5.330 7.452 1.00 1.09 C ATOM 292 OE1 GLN A 18 0.165 6.036 7.434 1.00 1.76 O ATOM 293 NE2 GLN A 18 2.337 5.861 7.304 1.00 1.82 N ATOM 0 H GLN A 18 -1.035 2.279 6.632 1.00 0.32 H new ATOM 0 HA GLN A 18 0.580 1.491 8.833 1.00 0.36 H new ATOM 0 HB2 GLN A 18 -1.040 4.013 8.230 1.00 0.44 H new ATOM 0 HB3 GLN A 18 0.070 3.897 9.581 1.00 0.44 H new ATOM 0 HG2 GLN A 18 1.956 3.419 8.063 1.00 0.51 H new ATOM 0 HG3 GLN A 18 0.877 3.329 6.685 1.00 0.51 H new ATOM 0 HE21 GLN A 18 3.167 5.269 7.319 1.00 1.82 H new ATOM 0 HE22 GLN A 18 2.431 6.868 7.173 1.00 1.82 H new ATOM 302 N ASN A 19 -2.616 1.856 9.508 1.00 0.37 N ATOM 303 CA ASN A 19 -3.636 1.573 10.557 1.00 0.42 C ATOM 304 C ASN A 19 -3.939 0.076 10.587 1.00 0.43 C ATOM 305 O ASN A 19 -4.744 -0.390 11.369 1.00 0.58 O ATOM 306 CB ASN A 19 -4.911 2.352 10.238 1.00 0.51 C ATOM 307 CG ASN A 19 -4.659 3.844 10.456 1.00 0.84 C ATOM 308 OD1 ASN A 19 -4.533 4.293 11.577 1.00 1.67 O ATOM 309 ND2 ASN A 19 -4.573 4.636 9.423 1.00 1.28 N ATOM 0 H ASN A 19 -2.991 2.187 8.619 1.00 0.37 H new ATOM 0 HA ASN A 19 -3.256 1.879 11.532 1.00 0.42 H new ATOM 0 HB2 ASN A 19 -5.214 2.169 9.207 1.00 0.51 H new ATOM 0 HB3 ASN A 19 -5.728 2.012 10.875 1.00 0.51 H new ATOM 0 HD21 ASN A 19 -4.400 5.632 9.557 1.00 1.28 H new ATOM 0 HD22 ASN A 19 -4.679 4.259 8.481 1.00 1.28 H new ATOM 316 N ALA A 20 -3.301 -0.682 9.741 1.00 0.39 N ATOM 317 CA ALA A 20 -3.551 -2.148 9.722 1.00 0.47 C ATOM 318 C ALA A 20 -2.781 -2.799 10.881 1.00 0.53 C ATOM 319 O ALA A 20 -1.578 -2.651 10.965 1.00 0.63 O ATOM 320 CB ALA A 20 -3.039 -2.724 8.397 1.00 0.49 C ATOM 0 H ALA A 20 -2.617 -0.349 9.062 1.00 0.39 H new ATOM 0 HA ALA A 20 -4.618 -2.346 9.825 1.00 0.47 H new ATOM 0 HB1 ALA A 20 -3.218 -3.799 8.374 1.00 0.49 H new ATOM 0 HB2 ALA A 20 -3.564 -2.251 7.567 1.00 0.49 H new ATOM 0 HB3 ALA A 20 -1.970 -2.532 8.306 1.00 0.49 H new ATOM 326 N PRO A 21 -3.433 -3.519 11.769 1.00 0.71 N ATOM 327 CA PRO A 21 -2.728 -4.178 12.904 1.00 0.87 C ATOM 328 C PRO A 21 -1.418 -4.810 12.432 1.00 0.80 C ATOM 329 O PRO A 21 -0.369 -4.611 13.013 1.00 1.04 O ATOM 330 CB PRO A 21 -3.721 -5.244 13.371 1.00 1.10 C ATOM 331 CG PRO A 21 -5.068 -4.679 13.047 1.00 1.29 C ATOM 332 CD PRO A 21 -4.883 -3.793 11.804 1.00 0.94 C ATOM 0 HA PRO A 21 -2.452 -3.485 13.699 1.00 0.87 H new ATOM 0 HB2 PRO A 21 -3.555 -6.191 12.858 1.00 1.10 H new ATOM 0 HB3 PRO A 21 -3.620 -5.438 14.439 1.00 1.10 H new ATOM 0 HG2 PRO A 21 -5.786 -5.476 12.852 1.00 1.29 H new ATOM 0 HG3 PRO A 21 -5.456 -4.098 13.883 1.00 1.29 H new ATOM 0 HD2 PRO A 21 -5.214 -4.302 10.899 1.00 0.94 H new ATOM 0 HD3 PRO A 21 -5.461 -2.872 11.881 1.00 0.94 H new ATOM 340 N GLU A 22 -1.482 -5.548 11.357 1.00 0.72 N ATOM 341 CA GLU A 22 -0.262 -6.189 10.790 1.00 0.83 C ATOM 342 C GLU A 22 0.133 -5.405 9.539 1.00 0.80 C ATOM 343 O GLU A 22 -0.713 -4.953 8.791 1.00 1.16 O ATOM 344 CB GLU A 22 -0.576 -7.638 10.413 1.00 0.98 C ATOM 345 CG GLU A 22 -1.184 -8.364 11.615 1.00 1.51 C ATOM 346 CD GLU A 22 -0.231 -8.274 12.809 1.00 2.01 C ATOM 347 OE1 GLU A 22 0.890 -8.737 12.686 1.00 2.51 O ATOM 348 OE2 GLU A 22 -0.640 -7.739 13.827 1.00 2.63 O ATOM 0 H GLU A 22 -2.341 -5.736 10.840 1.00 0.72 H new ATOM 0 HA GLU A 22 0.551 -6.185 11.517 1.00 0.83 H new ATOM 0 HB2 GLU A 22 -1.269 -7.663 9.572 1.00 0.98 H new ATOM 0 HB3 GLU A 22 0.334 -8.145 10.091 1.00 0.98 H new ATOM 0 HG2 GLU A 22 -2.146 -7.920 11.871 1.00 1.51 H new ATOM 0 HG3 GLU A 22 -1.371 -9.408 11.365 1.00 1.51 H new ATOM 355 N LYS A 23 1.400 -5.222 9.305 1.00 0.66 N ATOM 356 CA LYS A 23 1.820 -4.449 8.104 1.00 0.68 C ATOM 357 C LYS A 23 1.302 -5.143 6.844 1.00 0.56 C ATOM 358 O LYS A 23 0.885 -4.497 5.903 1.00 0.59 O ATOM 359 CB LYS A 23 3.347 -4.350 8.057 1.00 0.84 C ATOM 360 CG LYS A 23 3.872 -3.641 9.313 1.00 0.96 C ATOM 361 CD LYS A 23 3.499 -2.153 9.289 1.00 0.79 C ATOM 362 CE LYS A 23 4.362 -1.393 10.300 1.00 1.23 C ATOM 363 NZ LYS A 23 5.780 -1.393 9.843 1.00 2.02 N ATOM 0 H LYS A 23 2.160 -5.571 9.889 1.00 0.66 H new ATOM 0 HA LYS A 23 1.403 -3.443 8.157 1.00 0.68 H new ATOM 0 HB2 LYS A 23 3.781 -5.347 7.985 1.00 0.84 H new ATOM 0 HB3 LYS A 23 3.656 -3.803 7.166 1.00 0.84 H new ATOM 0 HG2 LYS A 23 3.455 -4.112 10.204 1.00 0.96 H new ATOM 0 HG3 LYS A 23 4.955 -3.749 9.372 1.00 0.96 H new ATOM 0 HD2 LYS A 23 3.648 -1.746 8.289 1.00 0.79 H new ATOM 0 HD3 LYS A 23 2.443 -2.028 9.530 1.00 0.79 H new ATOM 0 HE2 LYS A 23 4.002 -0.369 10.404 1.00 1.23 H new ATOM 0 HE3 LYS A 23 4.285 -1.859 11.282 1.00 1.23 H new ATOM 0 HZ1 LYS A 23 6.266 -0.555 10.220 1.00 2.02 H new ATOM 0 HZ2 LYS A 23 6.255 -2.252 10.186 1.00 2.02 H new ATOM 0 HZ3 LYS A 23 5.810 -1.372 8.804 1.00 2.02 H new ATOM 377 N LYS A 24 1.306 -6.447 6.810 1.00 0.49 N ATOM 378 CA LYS A 24 0.794 -7.140 5.597 1.00 0.43 C ATOM 379 C LYS A 24 -0.733 -7.103 5.647 1.00 0.44 C ATOM 380 O LYS A 24 -1.335 -7.473 6.637 1.00 0.75 O ATOM 381 CB LYS A 24 1.259 -8.598 5.586 1.00 0.41 C ATOM 382 CG LYS A 24 2.787 -8.655 5.582 1.00 0.45 C ATOM 383 CD LYS A 24 3.238 -10.118 5.571 1.00 0.50 C ATOM 384 CE LYS A 24 4.765 -10.179 5.627 1.00 0.59 C ATOM 385 NZ LYS A 24 5.216 -9.840 7.007 1.00 1.55 N ATOM 0 H LYS A 24 1.637 -7.055 7.559 1.00 0.49 H new ATOM 0 HA LYS A 24 1.169 -6.646 4.700 1.00 0.43 H new ATOM 0 HB2 LYS A 24 0.869 -9.120 6.460 1.00 0.41 H new ATOM 0 HB3 LYS A 24 0.865 -9.108 4.707 1.00 0.41 H new ATOM 0 HG2 LYS A 24 3.180 -8.135 4.708 1.00 0.45 H new ATOM 0 HG3 LYS A 24 3.184 -8.147 6.461 1.00 0.45 H new ATOM 0 HD2 LYS A 24 2.810 -10.648 6.422 1.00 0.50 H new ATOM 0 HD3 LYS A 24 2.876 -10.615 4.671 1.00 0.50 H new ATOM 0 HE2 LYS A 24 5.112 -11.175 5.352 1.00 0.59 H new ATOM 0 HE3 LYS A 24 5.196 -9.482 4.909 1.00 0.59 H new ATOM 0 HZ1 LYS A 24 6.210 -10.121 7.126 1.00 1.55 H new ATOM 0 HZ2 LYS A 24 5.125 -8.815 7.160 1.00 1.55 H new ATOM 0 HZ3 LYS A 24 4.628 -10.347 7.699 1.00 1.55 H new ATOM 399 N ILE A 25 -1.365 -6.650 4.597 1.00 0.35 N ATOM 400 CA ILE A 25 -2.858 -6.576 4.584 1.00 0.34 C ATOM 401 C ILE A 25 -3.379 -7.020 3.220 1.00 0.31 C ATOM 402 O ILE A 25 -2.713 -6.886 2.213 1.00 0.33 O ATOM 403 CB ILE A 25 -3.301 -5.135 4.853 1.00 0.38 C ATOM 404 CG1 ILE A 25 -4.830 -5.082 4.922 1.00 0.39 C ATOM 405 CG2 ILE A 25 -2.805 -4.226 3.727 1.00 0.38 C ATOM 406 CD1 ILE A 25 -5.274 -3.725 5.468 1.00 0.47 C ATOM 0 H ILE A 25 -0.910 -6.326 3.743 1.00 0.35 H new ATOM 0 HA ILE A 25 -3.259 -7.231 5.357 1.00 0.34 H new ATOM 0 HB ILE A 25 -2.881 -4.794 5.799 1.00 0.38 H new ATOM 0 HG12 ILE A 25 -5.254 -5.243 3.931 1.00 0.39 H new ATOM 0 HG13 ILE A 25 -5.203 -5.882 5.562 1.00 0.39 H new ATOM 0 HG21 ILE A 25 -3.122 -3.201 3.921 1.00 0.38 H new ATOM 0 HG22 ILE A 25 -1.717 -4.267 3.679 1.00 0.38 H new ATOM 0 HG23 ILE A 25 -3.223 -4.562 2.778 1.00 0.38 H new ATOM 0 HD11 ILE A 25 -6.362 -3.690 5.516 1.00 0.47 H new ATOM 0 HD12 ILE A 25 -4.862 -3.582 6.467 1.00 0.47 H new ATOM 0 HD13 ILE A 25 -4.914 -2.933 4.811 1.00 0.47 H new ATOM 418 N THR A 26 -4.567 -7.557 3.179 1.00 0.30 N ATOM 419 CA THR A 26 -5.131 -8.018 1.882 1.00 0.31 C ATOM 420 C THR A 26 -5.724 -6.831 1.117 1.00 0.28 C ATOM 421 O THR A 26 -6.064 -5.812 1.685 1.00 0.27 O ATOM 422 CB THR A 26 -6.211 -9.067 2.152 1.00 0.37 C ATOM 423 OG1 THR A 26 -7.244 -8.488 2.937 1.00 0.76 O ATOM 424 CG2 THR A 26 -5.588 -10.244 2.908 1.00 0.81 C ATOM 0 H THR A 26 -5.171 -7.696 3.989 1.00 0.30 H new ATOM 0 HA THR A 26 -4.341 -8.460 1.275 1.00 0.31 H new ATOM 0 HB THR A 26 -6.629 -9.419 1.209 1.00 0.37 H new ATOM 0 HG1 THR A 26 -7.938 -9.158 3.110 1.00 0.76 H new ATOM 0 HG21 THR A 26 -6.352 -10.996 3.104 1.00 0.81 H new ATOM 0 HG22 THR A 26 -4.793 -10.683 2.306 1.00 0.81 H new ATOM 0 HG23 THR A 26 -5.175 -9.892 3.853 1.00 0.81 H new ATOM 432 N LEU A 27 -5.829 -6.960 -0.177 1.00 0.31 N ATOM 433 CA LEU A 27 -6.377 -5.861 -1.025 1.00 0.34 C ATOM 434 C LEU A 27 -7.813 -5.532 -0.596 1.00 0.30 C ATOM 435 O LEU A 27 -8.179 -4.384 -0.406 1.00 0.31 O ATOM 436 CB LEU A 27 -6.360 -6.347 -2.479 1.00 0.44 C ATOM 437 CG LEU A 27 -6.797 -5.232 -3.437 1.00 0.47 C ATOM 438 CD1 LEU A 27 -5.773 -4.076 -3.420 1.00 0.70 C ATOM 439 CD2 LEU A 27 -6.911 -5.828 -4.845 1.00 0.68 C ATOM 0 H LEU A 27 -5.553 -7.796 -0.693 1.00 0.31 H new ATOM 0 HA LEU A 27 -5.777 -4.958 -0.917 1.00 0.34 H new ATOM 0 HB2 LEU A 27 -5.357 -6.685 -2.742 1.00 0.44 H new ATOM 0 HB3 LEU A 27 -7.024 -7.205 -2.587 1.00 0.44 H new ATOM 0 HG LEU A 27 -7.760 -4.827 -3.125 1.00 0.47 H new ATOM 0 HD11 LEU A 27 -6.097 -3.293 -4.105 1.00 0.70 H new ATOM 0 HD12 LEU A 27 -5.700 -3.669 -2.411 1.00 0.70 H new ATOM 0 HD13 LEU A 27 -4.798 -4.449 -3.732 1.00 0.70 H new ATOM 0 HD21 LEU A 27 -7.221 -5.052 -5.545 1.00 0.68 H new ATOM 0 HD22 LEU A 27 -5.944 -6.227 -5.151 1.00 0.68 H new ATOM 0 HD23 LEU A 27 -7.649 -6.630 -4.842 1.00 0.68 H new ATOM 451 N ASN A 28 -8.631 -6.537 -0.448 1.00 0.30 N ATOM 452 CA ASN A 28 -10.048 -6.307 -0.043 1.00 0.31 C ATOM 453 C ASN A 28 -10.102 -5.608 1.318 1.00 0.29 C ATOM 454 O ASN A 28 -10.920 -4.739 1.546 1.00 0.32 O ATOM 455 CB ASN A 28 -10.775 -7.650 0.050 1.00 0.36 C ATOM 456 CG ASN A 28 -10.880 -8.270 -1.345 1.00 0.43 C ATOM 457 OD1 ASN A 28 -11.301 -7.620 -2.282 1.00 1.07 O ATOM 458 ND2 ASN A 28 -10.512 -9.508 -1.523 1.00 1.25 N ATOM 0 H ASN A 28 -8.378 -7.515 -0.591 1.00 0.30 H new ATOM 0 HA ASN A 28 -10.531 -5.675 -0.788 1.00 0.31 H new ATOM 0 HB2 ASN A 28 -10.237 -8.322 0.719 1.00 0.36 H new ATOM 0 HB3 ASN A 28 -11.770 -7.509 0.473 1.00 0.36 H new ATOM 0 HD21 ASN A 28 -10.577 -9.931 -2.449 1.00 1.25 H new ATOM 0 HD22 ASN A 28 -10.159 -10.053 -0.737 1.00 1.25 H new ATOM 465 N GLY A 29 -9.250 -5.988 2.229 1.00 0.28 N ATOM 466 CA GLY A 29 -9.269 -5.356 3.579 1.00 0.29 C ATOM 467 C GLY A 29 -9.078 -3.841 3.462 1.00 0.28 C ATOM 468 O GLY A 29 -9.693 -3.074 4.176 1.00 0.29 O ATOM 0 H GLY A 29 -8.541 -6.709 2.098 1.00 0.28 H new ATOM 0 HA2 GLY A 29 -10.215 -5.572 4.076 1.00 0.29 H new ATOM 0 HA3 GLY A 29 -8.479 -5.782 4.198 1.00 0.29 H new ATOM 472 N ILE A 30 -8.222 -3.403 2.581 1.00 0.26 N ATOM 473 CA ILE A 30 -7.982 -1.937 2.434 1.00 0.27 C ATOM 474 C ILE A 30 -9.276 -1.210 2.053 1.00 0.27 C ATOM 475 O ILE A 30 -9.566 -0.145 2.560 1.00 0.29 O ATOM 476 CB ILE A 30 -6.931 -1.704 1.345 1.00 0.29 C ATOM 477 CG1 ILE A 30 -5.590 -2.276 1.812 1.00 0.32 C ATOM 478 CG2 ILE A 30 -6.783 -0.199 1.091 1.00 0.34 C ATOM 479 CD1 ILE A 30 -4.600 -2.281 0.644 1.00 0.35 C ATOM 0 H ILE A 30 -7.677 -3.996 1.955 1.00 0.26 H new ATOM 0 HA ILE A 30 -7.629 -1.544 3.387 1.00 0.27 H new ATOM 0 HB ILE A 30 -7.241 -2.197 0.424 1.00 0.29 H new ATOM 0 HG12 ILE A 30 -5.195 -1.679 2.634 1.00 0.32 H new ATOM 0 HG13 ILE A 30 -5.727 -3.289 2.190 1.00 0.32 H new ATOM 0 HG21 ILE A 30 -6.035 -0.033 0.316 1.00 0.34 H new ATOM 0 HG22 ILE A 30 -7.739 0.211 0.766 1.00 0.34 H new ATOM 0 HG23 ILE A 30 -6.469 0.296 2.010 1.00 0.34 H new ATOM 0 HD11 ILE A 30 -3.646 -2.688 0.978 1.00 0.35 H new ATOM 0 HD12 ILE A 30 -4.994 -2.896 -0.165 1.00 0.35 H new ATOM 0 HD13 ILE A 30 -4.454 -1.262 0.286 1.00 0.35 H new ATOM 491 N TYR A 31 -10.046 -1.753 1.149 1.00 0.28 N ATOM 492 CA TYR A 31 -11.299 -1.051 0.733 1.00 0.30 C ATOM 493 C TYR A 31 -12.235 -0.862 1.934 1.00 0.30 C ATOM 494 O TYR A 31 -12.851 0.173 2.091 1.00 0.32 O ATOM 495 CB TYR A 31 -12.017 -1.884 -0.336 1.00 0.36 C ATOM 496 CG TYR A 31 -11.352 -1.683 -1.677 1.00 0.38 C ATOM 497 CD1 TYR A 31 -11.591 -0.515 -2.405 1.00 1.36 C ATOM 498 CD2 TYR A 31 -10.504 -2.667 -2.196 1.00 1.20 C ATOM 499 CE1 TYR A 31 -10.983 -0.331 -3.652 1.00 1.40 C ATOM 500 CE2 TYR A 31 -9.897 -2.483 -3.442 1.00 1.23 C ATOM 501 CZ TYR A 31 -10.137 -1.316 -4.171 1.00 0.58 C ATOM 502 OH TYR A 31 -9.541 -1.142 -5.401 1.00 0.72 O ATOM 0 H TYR A 31 -9.867 -2.643 0.684 1.00 0.28 H new ATOM 0 HA TYR A 31 -11.035 -0.072 0.333 1.00 0.30 H new ATOM 0 HB2 TYR A 31 -11.994 -2.939 -0.063 1.00 0.36 H new ATOM 0 HB3 TYR A 31 -13.066 -1.592 -0.393 1.00 0.36 H new ATOM 0 HD1 TYR A 31 -12.245 0.246 -2.006 1.00 1.36 H new ATOM 0 HD2 TYR A 31 -10.318 -3.570 -1.634 1.00 1.20 H new ATOM 0 HE1 TYR A 31 -11.167 0.573 -4.214 1.00 1.40 H new ATOM 0 HE2 TYR A 31 -9.242 -3.244 -3.841 1.00 1.23 H new ATOM 0 HH TYR A 31 -10.223 -0.908 -6.065 1.00 0.72 H new ATOM 512 N GLN A 32 -12.356 -1.851 2.771 1.00 0.31 N ATOM 513 CA GLN A 32 -13.263 -1.731 3.951 1.00 0.35 C ATOM 514 C GLN A 32 -12.823 -0.568 4.846 1.00 0.33 C ATOM 515 O GLN A 32 -13.635 0.138 5.410 1.00 0.34 O ATOM 516 CB GLN A 32 -13.227 -3.037 4.751 1.00 0.41 C ATOM 517 CG GLN A 32 -14.182 -2.942 5.944 1.00 1.25 C ATOM 518 CD GLN A 32 -14.153 -4.252 6.731 1.00 1.79 C ATOM 519 OE1 GLN A 32 -13.176 -4.973 6.701 1.00 2.35 O ATOM 520 NE2 GLN A 32 -15.195 -4.593 7.438 1.00 2.51 N ATOM 0 H GLN A 32 -11.866 -2.742 2.691 1.00 0.31 H new ATOM 0 HA GLN A 32 -14.278 -1.539 3.602 1.00 0.35 H new ATOM 0 HB2 GLN A 32 -13.511 -3.873 4.112 1.00 0.41 H new ATOM 0 HB3 GLN A 32 -12.213 -3.232 5.100 1.00 0.41 H new ATOM 0 HG2 GLN A 32 -13.893 -2.112 6.589 1.00 1.25 H new ATOM 0 HG3 GLN A 32 -15.195 -2.737 5.596 1.00 1.25 H new ATOM 0 HE21 GLN A 32 -16.015 -3.987 7.463 1.00 2.51 H new ATOM 0 HE22 GLN A 32 -15.190 -5.466 7.966 1.00 2.51 H new ATOM 529 N PHE A 33 -11.543 -0.395 5.011 1.00 0.33 N ATOM 530 CA PHE A 33 -11.030 0.687 5.901 1.00 0.35 C ATOM 531 C PHE A 33 -11.502 2.063 5.411 1.00 0.32 C ATOM 532 O PHE A 33 -12.001 2.862 6.179 1.00 0.34 O ATOM 533 CB PHE A 33 -9.501 0.619 5.890 1.00 0.40 C ATOM 534 CG PHE A 33 -8.920 1.519 6.952 1.00 0.46 C ATOM 535 CD1 PHE A 33 -8.717 1.021 8.245 1.00 1.34 C ATOM 536 CD2 PHE A 33 -8.560 2.836 6.644 1.00 1.23 C ATOM 537 CE1 PHE A 33 -8.156 1.838 9.230 1.00 1.37 C ATOM 538 CE2 PHE A 33 -8.001 3.656 7.633 1.00 1.27 C ATOM 539 CZ PHE A 33 -7.798 3.156 8.925 1.00 0.63 C ATOM 0 H PHE A 33 -10.822 -0.961 4.564 1.00 0.33 H new ATOM 0 HA PHE A 33 -11.411 0.548 6.913 1.00 0.35 H new ATOM 0 HB2 PHE A 33 -9.176 -0.408 6.059 1.00 0.40 H new ATOM 0 HB3 PHE A 33 -9.126 0.915 4.910 1.00 0.40 H new ATOM 0 HD1 PHE A 33 -8.994 0.004 8.481 1.00 1.34 H new ATOM 0 HD2 PHE A 33 -8.713 3.219 5.646 1.00 1.23 H new ATOM 0 HE1 PHE A 33 -7.999 1.452 10.226 1.00 1.37 H new ATOM 0 HE2 PHE A 33 -7.727 4.674 7.399 1.00 1.27 H new ATOM 0 HZ PHE A 33 -7.365 3.788 9.686 1.00 0.63 H new ATOM 549 N ILE A 34 -11.339 2.355 4.149 1.00 0.28 N ATOM 550 CA ILE A 34 -11.769 3.686 3.621 1.00 0.27 C ATOM 551 C ILE A 34 -13.275 3.893 3.831 1.00 0.26 C ATOM 552 O ILE A 34 -13.701 4.916 4.330 1.00 0.27 O ATOM 553 CB ILE A 34 -11.442 3.752 2.128 1.00 0.27 C ATOM 554 CG1 ILE A 34 -9.922 3.743 1.945 1.00 0.32 C ATOM 555 CG2 ILE A 34 -12.016 5.036 1.525 1.00 0.29 C ATOM 556 CD1 ILE A 34 -9.585 3.509 0.472 1.00 0.59 C ATOM 0 H ILE A 34 -10.926 1.729 3.458 1.00 0.28 H new ATOM 0 HA ILE A 34 -11.239 4.473 4.158 1.00 0.27 H new ATOM 0 HB ILE A 34 -11.882 2.891 1.624 1.00 0.27 H new ATOM 0 HG12 ILE A 34 -9.500 4.691 2.279 1.00 0.32 H new ATOM 0 HG13 ILE A 34 -9.476 2.961 2.559 1.00 0.32 H new ATOM 0 HG21 ILE A 34 -11.779 5.076 0.462 1.00 0.29 H new ATOM 0 HG22 ILE A 34 -13.098 5.048 1.657 1.00 0.29 H new ATOM 0 HG23 ILE A 34 -11.580 5.900 2.027 1.00 0.29 H new ATOM 0 HD11 ILE A 34 -8.503 3.503 0.343 1.00 0.59 H new ATOM 0 HD12 ILE A 34 -9.994 2.550 0.153 1.00 0.59 H new ATOM 0 HD13 ILE A 34 -10.018 4.307 -0.131 1.00 0.59 H new ATOM 568 N MET A 35 -14.089 2.944 3.447 1.00 0.27 N ATOM 569 CA MET A 35 -15.563 3.114 3.620 1.00 0.29 C ATOM 570 C MET A 35 -15.910 3.303 5.101 1.00 0.29 C ATOM 571 O MET A 35 -16.764 4.097 5.447 1.00 0.31 O ATOM 572 CB MET A 35 -16.294 1.882 3.077 1.00 0.37 C ATOM 573 CG MET A 35 -16.293 1.918 1.547 1.00 0.44 C ATOM 574 SD MET A 35 -17.249 0.522 0.901 1.00 0.69 S ATOM 575 CE MET A 35 -15.889 -0.665 0.800 1.00 0.47 C ATOM 0 H MET A 35 -13.799 2.063 3.023 1.00 0.27 H new ATOM 0 HA MET A 35 -15.878 3.999 3.068 1.00 0.29 H new ATOM 0 HB2 MET A 35 -15.807 0.973 3.430 1.00 0.37 H new ATOM 0 HB3 MET A 35 -17.318 1.860 3.450 1.00 0.37 H new ATOM 0 HG2 MET A 35 -16.720 2.857 1.196 1.00 0.44 H new ATOM 0 HG3 MET A 35 -15.270 1.874 1.174 1.00 0.44 H new ATOM 0 HE1 MET A 35 -16.292 -1.670 0.678 1.00 0.47 H new ATOM 0 HE2 MET A 35 -15.256 -0.422 -0.054 1.00 0.47 H new ATOM 0 HE3 MET A 35 -15.298 -0.619 1.714 1.00 0.47 H new ATOM 585 N ASP A 36 -15.272 2.578 5.980 1.00 0.31 N ATOM 586 CA ASP A 36 -15.591 2.722 7.432 1.00 0.37 C ATOM 587 C ASP A 36 -15.324 4.154 7.906 1.00 0.38 C ATOM 588 O ASP A 36 -16.118 4.731 8.622 1.00 0.45 O ATOM 589 CB ASP A 36 -14.729 1.749 8.244 1.00 0.43 C ATOM 590 CG ASP A 36 -15.264 0.323 8.093 1.00 0.51 C ATOM 591 OD1 ASP A 36 -16.442 0.175 7.815 1.00 1.12 O ATOM 592 OD2 ASP A 36 -14.484 -0.600 8.264 1.00 1.17 O ATOM 0 H ASP A 36 -14.547 1.895 5.758 1.00 0.31 H new ATOM 0 HA ASP A 36 -16.647 2.496 7.580 1.00 0.37 H new ATOM 0 HB2 ASP A 36 -13.695 1.796 7.904 1.00 0.43 H new ATOM 0 HB3 ASP A 36 -14.732 2.038 9.295 1.00 0.43 H new ATOM 597 N ARG A 37 -14.211 4.729 7.539 1.00 0.39 N ATOM 598 CA ARG A 37 -13.910 6.115 8.003 1.00 0.46 C ATOM 599 C ARG A 37 -14.867 7.130 7.372 1.00 0.45 C ATOM 600 O ARG A 37 -15.408 7.977 8.056 1.00 0.59 O ATOM 601 CB ARG A 37 -12.464 6.483 7.639 1.00 0.53 C ATOM 602 CG ARG A 37 -11.493 5.849 8.640 1.00 1.16 C ATOM 603 CD ARG A 37 -10.063 6.240 8.263 1.00 1.28 C ATOM 604 NE ARG A 37 -9.105 5.776 9.318 1.00 1.77 N ATOM 605 CZ ARG A 37 -9.186 6.191 10.555 1.00 2.16 C ATOM 606 NH1 ARG A 37 -10.019 7.139 10.884 1.00 2.31 N ATOM 607 NH2 ARG A 37 -8.392 5.688 11.461 1.00 3.00 N ATOM 0 H ARG A 37 -13.501 4.304 6.942 1.00 0.39 H new ATOM 0 HA ARG A 37 -14.039 6.145 9.085 1.00 0.46 H new ATOM 0 HB2 ARG A 37 -12.235 6.139 6.630 1.00 0.53 H new ATOM 0 HB3 ARG A 37 -12.345 7.566 7.641 1.00 0.53 H new ATOM 0 HG2 ARG A 37 -11.721 6.186 9.651 1.00 1.16 H new ATOM 0 HG3 ARG A 37 -11.601 4.764 8.634 1.00 1.16 H new ATOM 0 HD2 ARG A 37 -9.799 5.799 7.302 1.00 1.28 H new ATOM 0 HD3 ARG A 37 -9.992 7.322 8.147 1.00 1.28 H new ATOM 0 HE ARG A 37 -8.369 5.118 9.064 1.00 1.77 H new ATOM 0 HH11 ARG A 37 -10.615 7.564 10.173 1.00 2.31 H new ATOM 0 HH12 ARG A 37 -10.075 7.456 11.852 1.00 2.31 H new ATOM 0 HH21 ARG A 37 -7.711 4.974 11.203 1.00 3.00 H new ATOM 0 HH22 ARG A 37 -8.452 6.009 12.427 1.00 3.00 H new ATOM 621 N PHE A 38 -15.062 7.078 6.076 1.00 0.40 N ATOM 622 CA PHE A 38 -15.962 8.069 5.399 1.00 0.41 C ATOM 623 C PHE A 38 -17.083 7.344 4.632 1.00 0.39 C ATOM 624 O PHE A 38 -16.805 6.511 3.792 1.00 0.51 O ATOM 625 CB PHE A 38 -15.121 8.884 4.408 1.00 0.43 C ATOM 626 CG PHE A 38 -14.003 9.572 5.156 1.00 0.54 C ATOM 627 CD1 PHE A 38 -14.287 10.661 5.990 1.00 1.47 C ATOM 628 CD2 PHE A 38 -12.685 9.119 5.021 1.00 1.21 C ATOM 629 CE1 PHE A 38 -13.252 11.296 6.687 1.00 1.54 C ATOM 630 CE2 PHE A 38 -11.651 9.754 5.719 1.00 1.27 C ATOM 631 CZ PHE A 38 -11.935 10.843 6.552 1.00 0.82 C ATOM 0 H PHE A 38 -14.636 6.390 5.455 1.00 0.40 H new ATOM 0 HA PHE A 38 -16.416 8.718 6.148 1.00 0.41 H new ATOM 0 HB2 PHE A 38 -14.711 8.231 3.637 1.00 0.43 H new ATOM 0 HB3 PHE A 38 -15.745 9.621 3.903 1.00 0.43 H new ATOM 0 HD1 PHE A 38 -15.303 11.010 6.095 1.00 1.47 H new ATOM 0 HD2 PHE A 38 -12.466 8.279 4.378 1.00 1.21 H new ATOM 0 HE1 PHE A 38 -13.470 12.136 7.329 1.00 1.54 H new ATOM 0 HE2 PHE A 38 -10.635 9.404 5.615 1.00 1.27 H new ATOM 0 HZ PHE A 38 -11.137 11.333 7.090 1.00 0.82 H new ATOM 641 N PRO A 39 -18.340 7.657 4.881 1.00 0.53 N ATOM 642 CA PRO A 39 -19.474 7.012 4.155 1.00 0.55 C ATOM 643 C PRO A 39 -19.671 7.654 2.779 1.00 0.47 C ATOM 644 O PRO A 39 -20.477 7.222 1.980 1.00 0.47 O ATOM 645 CB PRO A 39 -20.674 7.285 5.062 1.00 0.70 C ATOM 646 CG PRO A 39 -20.363 8.600 5.698 1.00 1.21 C ATOM 647 CD PRO A 39 -18.838 8.643 5.864 1.00 0.88 C ATOM 0 HA PRO A 39 -19.315 5.950 3.968 1.00 0.55 H new ATOM 0 HB2 PRO A 39 -21.602 7.328 4.492 1.00 0.70 H new ATOM 0 HB3 PRO A 39 -20.795 6.500 5.809 1.00 0.70 H new ATOM 0 HG2 PRO A 39 -20.711 9.425 5.077 1.00 1.21 H new ATOM 0 HG3 PRO A 39 -20.863 8.694 6.662 1.00 1.21 H new ATOM 0 HD2 PRO A 39 -18.443 9.639 5.664 1.00 0.88 H new ATOM 0 HD3 PRO A 39 -18.540 8.380 6.879 1.00 0.88 H new ATOM 655 N PHE A 40 -18.921 8.685 2.512 1.00 0.44 N ATOM 656 CA PHE A 40 -19.020 9.386 1.202 1.00 0.42 C ATOM 657 C PHE A 40 -18.692 8.403 0.075 1.00 0.34 C ATOM 658 O PHE A 40 -19.314 8.407 -0.970 1.00 0.36 O ATOM 659 CB PHE A 40 -18.012 10.545 1.209 1.00 0.48 C ATOM 660 CG PHE A 40 -17.760 11.049 -0.194 1.00 1.33 C ATOM 661 CD1 PHE A 40 -18.706 11.862 -0.829 1.00 2.20 C ATOM 662 CD2 PHE A 40 -16.577 10.699 -0.860 1.00 2.34 C ATOM 663 CE1 PHE A 40 -18.472 12.327 -2.128 1.00 3.29 C ATOM 664 CE2 PHE A 40 -16.342 11.163 -2.160 1.00 3.41 C ATOM 665 CZ PHE A 40 -17.290 11.977 -2.794 1.00 3.74 C ATOM 0 H PHE A 40 -18.234 9.078 3.155 1.00 0.44 H new ATOM 0 HA PHE A 40 -20.027 9.771 1.043 1.00 0.42 H new ATOM 0 HB2 PHE A 40 -18.390 11.358 1.829 1.00 0.48 H new ATOM 0 HB3 PHE A 40 -17.074 10.214 1.655 1.00 0.48 H new ATOM 0 HD1 PHE A 40 -19.618 12.131 -0.316 1.00 2.20 H new ATOM 0 HD2 PHE A 40 -15.847 10.072 -0.370 1.00 2.34 H new ATOM 0 HE1 PHE A 40 -19.202 12.955 -2.617 1.00 3.29 H new ATOM 0 HE2 PHE A 40 -15.431 10.894 -2.674 1.00 3.41 H new ATOM 0 HZ PHE A 40 -17.109 12.335 -3.797 1.00 3.74 H new ATOM 675 N TYR A 41 -17.715 7.567 0.280 1.00 0.27 N ATOM 676 CA TYR A 41 -17.329 6.587 -0.773 1.00 0.25 C ATOM 677 C TYR A 41 -18.418 5.527 -0.921 1.00 0.29 C ATOM 678 O TYR A 41 -18.635 4.992 -1.989 1.00 0.35 O ATOM 679 CB TYR A 41 -16.013 5.930 -0.370 1.00 0.23 C ATOM 680 CG TYR A 41 -14.926 6.965 -0.478 1.00 0.25 C ATOM 681 CD1 TYR A 41 -14.692 7.830 0.590 1.00 1.10 C ATOM 682 CD2 TYR A 41 -14.177 7.078 -1.650 1.00 1.04 C ATOM 683 CE1 TYR A 41 -13.703 8.809 0.495 1.00 1.12 C ATOM 684 CE2 TYR A 41 -13.185 8.056 -1.755 1.00 1.05 C ATOM 685 CZ TYR A 41 -12.945 8.924 -0.680 1.00 0.34 C ATOM 686 OH TYR A 41 -11.966 9.892 -0.777 1.00 0.40 O ATOM 0 H TYR A 41 -17.163 7.519 1.137 1.00 0.27 H new ATOM 0 HA TYR A 41 -17.209 7.097 -1.729 1.00 0.25 H new ATOM 0 HB2 TYR A 41 -16.074 5.546 0.648 1.00 0.23 H new ATOM 0 HB3 TYR A 41 -15.797 5.081 -1.018 1.00 0.23 H new ATOM 0 HD1 TYR A 41 -15.278 7.742 1.493 1.00 1.10 H new ATOM 0 HD2 TYR A 41 -14.364 6.409 -2.477 1.00 1.04 H new ATOM 0 HE1 TYR A 41 -13.521 9.477 1.324 1.00 1.12 H new ATOM 0 HE2 TYR A 41 -12.605 8.143 -2.662 1.00 1.05 H new ATOM 0 HH TYR A 41 -11.535 9.834 -1.655 1.00 0.40 H new ATOM 696 N ARG A 42 -19.103 5.213 0.142 1.00 0.33 N ATOM 697 CA ARG A 42 -20.172 4.182 0.053 1.00 0.42 C ATOM 698 C ARG A 42 -21.230 4.639 -0.956 1.00 0.44 C ATOM 699 O ARG A 42 -21.745 3.856 -1.728 1.00 0.53 O ATOM 700 CB ARG A 42 -20.820 3.998 1.428 1.00 0.50 C ATOM 701 CG ARG A 42 -19.827 3.314 2.371 1.00 0.58 C ATOM 702 CD ARG A 42 -20.456 3.167 3.758 1.00 0.63 C ATOM 703 NE ARG A 42 -21.586 2.197 3.698 1.00 1.26 N ATOM 704 CZ ARG A 42 -22.059 1.681 4.802 1.00 1.66 C ATOM 705 NH1 ARG A 42 -21.534 2.010 5.952 1.00 1.95 N ATOM 706 NH2 ARG A 42 -23.051 0.836 4.756 1.00 2.51 N ATOM 0 H ARG A 42 -18.969 5.624 1.066 1.00 0.33 H new ATOM 0 HA ARG A 42 -19.742 3.235 -0.272 1.00 0.42 H new ATOM 0 HB2 ARG A 42 -21.117 4.965 1.834 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -21.725 3.398 1.338 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -19.553 2.335 1.979 1.00 0.58 H new ATOM 0 HG3 ARG A 42 -18.910 3.899 2.437 1.00 0.58 H new ATOM 0 HD2 ARG A 42 -19.708 2.824 4.473 1.00 0.63 H new ATOM 0 HD3 ARG A 42 -20.813 4.135 4.110 1.00 0.63 H new ATOM 0 HE ARG A 42 -21.989 1.937 2.798 1.00 1.26 H new ATOM 0 HH11 ARG A 42 -20.756 2.669 5.988 1.00 1.95 H new ATOM 0 HH12 ARG A 42 -21.902 1.608 6.814 1.00 1.95 H new ATOM 0 HH21 ARG A 42 -23.459 0.577 3.858 1.00 2.51 H new ATOM 0 HH22 ARG A 42 -23.419 0.434 5.618 1.00 2.51 H new ATOM 720 N GLU A 43 -21.558 5.903 -0.955 1.00 0.42 N ATOM 721 CA GLU A 43 -22.582 6.410 -1.911 1.00 0.48 C ATOM 722 C GLU A 43 -22.094 6.234 -3.345 1.00 0.45 C ATOM 723 O GLU A 43 -22.843 5.877 -4.233 1.00 0.66 O ATOM 724 CB GLU A 43 -22.843 7.893 -1.641 1.00 0.62 C ATOM 725 CG GLU A 43 -23.579 8.048 -0.308 1.00 1.27 C ATOM 726 CD GLU A 43 -23.835 9.532 -0.038 1.00 1.75 C ATOM 727 OE1 GLU A 43 -23.475 10.338 -0.881 1.00 2.34 O ATOM 728 OE2 GLU A 43 -24.387 9.837 1.006 1.00 2.28 O ATOM 0 H GLU A 43 -21.160 6.606 -0.333 1.00 0.42 H new ATOM 0 HA GLU A 43 -23.504 5.844 -1.776 1.00 0.48 H new ATOM 0 HB2 GLU A 43 -21.901 8.440 -1.614 1.00 0.62 H new ATOM 0 HB3 GLU A 43 -23.437 8.321 -2.448 1.00 0.62 H new ATOM 0 HG2 GLU A 43 -24.523 7.504 -0.336 1.00 1.27 H new ATOM 0 HG3 GLU A 43 -22.987 7.617 0.499 1.00 1.27 H new ATOM 735 N ASN A 44 -20.838 6.486 -3.566 1.00 0.44 N ATOM 736 CA ASN A 44 -20.249 6.348 -4.935 1.00 0.43 C ATOM 737 C ASN A 44 -19.294 5.153 -4.953 1.00 0.37 C ATOM 738 O ASN A 44 -18.174 5.240 -4.492 1.00 0.47 O ATOM 739 CB ASN A 44 -19.466 7.616 -5.277 1.00 0.54 C ATOM 740 CG ASN A 44 -20.428 8.803 -5.366 1.00 1.30 C ATOM 741 OD1 ASN A 44 -21.584 8.640 -5.704 1.00 2.01 O ATOM 742 ND2 ASN A 44 -19.996 9.999 -5.073 1.00 1.97 N ATOM 0 H ASN A 44 -20.179 6.787 -2.848 1.00 0.44 H new ATOM 0 HA ASN A 44 -21.046 6.197 -5.664 1.00 0.43 H new ATOM 0 HB2 ASN A 44 -18.709 7.805 -4.516 1.00 0.54 H new ATOM 0 HB3 ASN A 44 -18.942 7.488 -6.224 1.00 0.54 H new ATOM 0 HD21 ASN A 44 -20.629 10.797 -5.128 1.00 1.97 H new ATOM 0 HD22 ASN A 44 -19.026 10.136 -4.789 1.00 1.97 H new ATOM 749 N LYS A 45 -19.722 4.037 -5.479 1.00 0.49 N ATOM 750 CA LYS A 45 -18.830 2.843 -5.520 1.00 0.61 C ATOM 751 C LYS A 45 -17.992 2.854 -6.800 1.00 0.71 C ATOM 752 O LYS A 45 -16.823 2.527 -6.788 1.00 0.97 O ATOM 753 CB LYS A 45 -19.680 1.573 -5.480 1.00 0.76 C ATOM 754 CG LYS A 45 -20.347 1.449 -4.108 1.00 0.74 C ATOM 755 CD LYS A 45 -21.198 0.179 -4.064 1.00 0.93 C ATOM 756 CE LYS A 45 -21.864 0.059 -2.692 1.00 1.11 C ATOM 757 NZ LYS A 45 -20.811 -0.054 -1.642 1.00 1.68 N ATOM 0 H LYS A 45 -20.649 3.901 -5.881 1.00 0.49 H new ATOM 0 HA LYS A 45 -18.163 2.868 -4.659 1.00 0.61 H new ATOM 0 HB2 LYS A 45 -20.438 1.605 -6.263 1.00 0.76 H new ATOM 0 HB3 LYS A 45 -19.057 0.700 -5.674 1.00 0.76 H new ATOM 0 HG2 LYS A 45 -19.589 1.418 -3.325 1.00 0.74 H new ATOM 0 HG3 LYS A 45 -20.969 2.323 -3.915 1.00 0.74 H new ATOM 0 HD2 LYS A 45 -21.956 0.209 -4.847 1.00 0.93 H new ATOM 0 HD3 LYS A 45 -20.576 -0.695 -4.256 1.00 0.93 H new ATOM 0 HE2 LYS A 45 -22.491 0.930 -2.502 1.00 1.11 H new ATOM 0 HE3 LYS A 45 -22.515 -0.815 -2.666 1.00 1.11 H new ATOM 0 HZ1 LYS A 45 -21.214 -0.497 -0.792 1.00 1.68 H new ATOM 0 HZ2 LYS A 45 -20.027 -0.637 -1.998 1.00 1.68 H new ATOM 0 HZ3 LYS A 45 -20.456 0.894 -1.403 1.00 1.68 H new ATOM 771 N GLN A 46 -18.577 3.219 -7.909 1.00 0.95 N ATOM 772 CA GLN A 46 -17.806 3.236 -9.184 1.00 1.12 C ATOM 773 C GLN A 46 -16.926 4.485 -9.259 1.00 0.71 C ATOM 774 O GLN A 46 -17.322 5.564 -8.860 1.00 1.16 O ATOM 775 CB GLN A 46 -18.769 3.226 -10.372 1.00 1.90 C ATOM 776 CG GLN A 46 -19.437 1.854 -10.479 1.00 2.64 C ATOM 777 CD GLN A 46 -20.491 1.889 -11.588 1.00 3.38 C ATOM 778 OE1 GLN A 46 -20.964 2.945 -11.958 1.00 3.81 O ATOM 779 NE2 GLN A 46 -20.877 0.772 -12.141 1.00 3.98 N ATOM 0 H GLN A 46 -19.553 3.505 -7.987 1.00 0.95 H new ATOM 0 HA GLN A 46 -17.172 2.350 -9.217 1.00 1.12 H new ATOM 0 HB2 GLN A 46 -19.525 4.001 -10.247 1.00 1.90 H new ATOM 0 HB3 GLN A 46 -18.230 3.452 -11.292 1.00 1.90 H new ATOM 0 HG2 GLN A 46 -18.691 1.089 -10.695 1.00 2.64 H new ATOM 0 HG3 GLN A 46 -19.901 1.588 -9.529 1.00 2.64 H new ATOM 0 HE21 GLN A 46 -20.480 -0.115 -11.830 1.00 3.98 H new ATOM 0 HE22 GLN A 46 -21.576 0.786 -12.884 1.00 3.98 H new ATOM 788 N GLY A 47 -15.737 4.341 -9.786 1.00 0.78 N ATOM 789 CA GLY A 47 -14.806 5.502 -9.922 1.00 0.73 C ATOM 790 C GLY A 47 -13.629 5.351 -8.956 1.00 0.54 C ATOM 791 O GLY A 47 -12.486 5.301 -9.364 1.00 0.64 O ATOM 0 H GLY A 47 -15.367 3.456 -10.133 1.00 0.78 H new ATOM 0 HA2 GLY A 47 -14.439 5.565 -10.947 1.00 0.73 H new ATOM 0 HA3 GLY A 47 -15.338 6.431 -9.716 1.00 0.73 H new ATOM 795 N TRP A 48 -13.893 5.293 -7.677 1.00 0.44 N ATOM 796 CA TRP A 48 -12.780 5.163 -6.690 1.00 0.33 C ATOM 797 C TRP A 48 -12.458 3.683 -6.445 1.00 0.31 C ATOM 798 O TRP A 48 -11.470 3.349 -5.826 1.00 0.37 O ATOM 799 CB TRP A 48 -13.194 5.838 -5.373 1.00 0.36 C ATOM 800 CG TRP A 48 -14.112 4.958 -4.580 1.00 0.35 C ATOM 801 CD1 TRP A 48 -15.449 4.848 -4.759 1.00 0.37 C ATOM 802 CD2 TRP A 48 -13.777 4.080 -3.469 1.00 0.35 C ATOM 803 NE1 TRP A 48 -15.952 3.950 -3.834 1.00 0.37 N ATOM 804 CE2 TRP A 48 -14.959 3.448 -3.017 1.00 0.36 C ATOM 805 CE3 TRP A 48 -12.571 3.773 -2.821 1.00 0.37 C ATOM 806 CZ2 TRP A 48 -14.942 2.540 -1.955 1.00 0.39 C ATOM 807 CZ3 TRP A 48 -12.549 2.861 -1.755 1.00 0.41 C ATOM 808 CH2 TRP A 48 -13.730 2.246 -1.322 1.00 0.42 C ATOM 0 H TRP A 48 -14.829 5.330 -7.274 1.00 0.44 H new ATOM 0 HA TRP A 48 -11.888 5.649 -7.084 1.00 0.33 H new ATOM 0 HB2 TRP A 48 -12.306 6.067 -4.784 1.00 0.36 H new ATOM 0 HB3 TRP A 48 -13.688 6.786 -5.586 1.00 0.36 H new ATOM 0 HD1 TRP A 48 -16.029 5.375 -5.502 1.00 0.37 H new ATOM 0 HE1 TRP A 48 -16.936 3.691 -3.764 1.00 0.37 H new ATOM 0 HE3 TRP A 48 -11.654 4.242 -3.145 1.00 0.37 H new ATOM 0 HZ2 TRP A 48 -15.857 2.069 -1.626 1.00 0.39 H new ATOM 0 HZ3 TRP A 48 -11.614 2.632 -1.265 1.00 0.41 H new ATOM 0 HH2 TRP A 48 -13.705 1.546 -0.500 1.00 0.42 H new ATOM 819 N GLN A 49 -13.299 2.798 -6.899 1.00 0.41 N ATOM 820 CA GLN A 49 -13.055 1.345 -6.664 1.00 0.47 C ATOM 821 C GLN A 49 -11.857 0.839 -7.480 1.00 0.37 C ATOM 822 O GLN A 49 -10.923 0.272 -6.946 1.00 0.38 O ATOM 823 CB GLN A 49 -14.316 0.569 -7.057 1.00 0.65 C ATOM 824 CG GLN A 49 -14.116 -0.929 -6.815 1.00 1.21 C ATOM 825 CD GLN A 49 -15.412 -1.670 -7.152 1.00 1.35 C ATOM 826 OE1 GLN A 49 -16.035 -1.398 -8.160 1.00 1.96 O ATOM 827 NE2 GLN A 49 -15.848 -2.601 -6.347 1.00 1.59 N ATOM 0 H GLN A 49 -14.146 3.016 -7.423 1.00 0.41 H new ATOM 0 HA GLN A 49 -12.825 1.191 -5.610 1.00 0.47 H new ATOM 0 HB2 GLN A 49 -15.167 0.927 -6.478 1.00 0.65 H new ATOM 0 HB3 GLN A 49 -14.548 0.747 -8.107 1.00 0.65 H new ATOM 0 HG2 GLN A 49 -13.298 -1.303 -7.431 1.00 1.21 H new ATOM 0 HG3 GLN A 49 -13.840 -1.108 -5.776 1.00 1.21 H new ATOM 0 HE21 GLN A 49 -15.326 -2.830 -5.501 1.00 1.59 H new ATOM 0 HE22 GLN A 49 -16.711 -3.100 -6.564 1.00 1.59 H new ATOM 836 N ASN A 50 -11.897 1.007 -8.773 1.00 0.37 N ATOM 837 CA ASN A 50 -10.792 0.508 -9.648 1.00 0.39 C ATOM 838 C ASN A 50 -9.497 1.309 -9.465 1.00 0.34 C ATOM 839 O ASN A 50 -8.412 0.763 -9.513 1.00 0.39 O ATOM 840 CB ASN A 50 -11.239 0.606 -11.107 1.00 0.53 C ATOM 841 CG ASN A 50 -12.331 -0.431 -11.374 1.00 0.63 C ATOM 842 OD1 ASN A 50 -12.392 -1.448 -10.712 1.00 1.25 O ATOM 843 ND2 ASN A 50 -13.203 -0.215 -12.321 1.00 1.28 N ATOM 0 H ASN A 50 -12.656 1.474 -9.269 1.00 0.37 H new ATOM 0 HA ASN A 50 -10.582 -0.524 -9.368 1.00 0.39 H new ATOM 0 HB2 ASN A 50 -11.614 1.608 -11.318 1.00 0.53 H new ATOM 0 HB3 ASN A 50 -10.391 0.437 -11.771 1.00 0.53 H new ATOM 0 HD21 ASN A 50 -13.936 -0.900 -12.505 1.00 1.28 H new ATOM 0 HD22 ASN A 50 -13.152 0.639 -12.877 1.00 1.28 H new ATOM 850 N SER A 51 -9.588 2.598 -9.300 1.00 0.31 N ATOM 851 CA SER A 51 -8.350 3.422 -9.171 1.00 0.36 C ATOM 852 C SER A 51 -7.513 2.981 -7.965 1.00 0.37 C ATOM 853 O SER A 51 -6.300 2.954 -8.023 1.00 0.50 O ATOM 854 CB SER A 51 -8.744 4.889 -8.998 1.00 0.38 C ATOM 855 OG SER A 51 -9.323 5.362 -10.207 1.00 1.49 O ATOM 0 H SER A 51 -10.464 3.118 -9.249 1.00 0.31 H new ATOM 0 HA SER A 51 -7.751 3.289 -10.072 1.00 0.36 H new ATOM 0 HB2 SER A 51 -9.452 4.993 -8.176 1.00 0.38 H new ATOM 0 HB3 SER A 51 -7.868 5.486 -8.742 1.00 0.38 H new ATOM 0 HG SER A 51 -10.298 5.384 -10.116 1.00 1.49 H new ATOM 861 N ILE A 52 -8.138 2.662 -6.869 1.00 0.33 N ATOM 862 CA ILE A 52 -7.368 2.254 -5.656 1.00 0.43 C ATOM 863 C ILE A 52 -6.402 1.101 -5.967 1.00 0.42 C ATOM 864 O ILE A 52 -5.198 1.258 -5.913 1.00 0.47 O ATOM 865 CB ILE A 52 -8.363 1.795 -4.583 1.00 0.51 C ATOM 866 CG1 ILE A 52 -9.174 2.998 -4.062 1.00 0.62 C ATOM 867 CG2 ILE A 52 -7.625 1.107 -3.426 1.00 0.64 C ATOM 868 CD1 ILE A 52 -8.429 3.738 -2.944 1.00 0.64 C ATOM 0 H ILE A 52 -9.152 2.665 -6.757 1.00 0.33 H new ATOM 0 HA ILE A 52 -6.781 3.105 -5.311 1.00 0.43 H new ATOM 0 HB ILE A 52 -9.050 1.076 -5.029 1.00 0.51 H new ATOM 0 HG12 ILE A 52 -9.375 3.686 -4.884 1.00 0.62 H new ATOM 0 HG13 ILE A 52 -10.139 2.654 -3.691 1.00 0.62 H new ATOM 0 HG21 ILE A 52 -8.346 0.788 -2.673 1.00 0.64 H new ATOM 0 HG22 ILE A 52 -7.086 0.238 -3.804 1.00 0.64 H new ATOM 0 HG23 ILE A 52 -6.919 1.806 -2.978 1.00 0.64 H new ATOM 0 HD11 ILE A 52 -9.031 4.580 -2.601 1.00 0.64 H new ATOM 0 HD12 ILE A 52 -8.251 3.056 -2.112 1.00 0.64 H new ATOM 0 HD13 ILE A 52 -7.475 4.104 -3.323 1.00 0.64 H new ATOM 880 N ARG A 53 -6.918 -0.067 -6.241 1.00 0.45 N ATOM 881 CA ARG A 53 -6.028 -1.237 -6.495 1.00 0.53 C ATOM 882 C ARG A 53 -5.272 -1.117 -7.820 1.00 0.49 C ATOM 883 O ARG A 53 -4.148 -1.563 -7.929 1.00 0.47 O ATOM 884 CB ARG A 53 -6.854 -2.522 -6.465 1.00 0.76 C ATOM 885 CG ARG A 53 -7.952 -2.480 -7.529 1.00 0.56 C ATOM 886 CD ARG A 53 -8.917 -3.653 -7.310 1.00 0.37 C ATOM 887 NE ARG A 53 -8.301 -4.907 -7.828 1.00 1.42 N ATOM 888 CZ ARG A 53 -8.773 -6.065 -7.453 1.00 1.74 C ATOM 889 NH1 ARG A 53 -9.756 -6.125 -6.597 1.00 1.58 N ATOM 890 NH2 ARG A 53 -8.254 -7.165 -7.928 1.00 2.76 N ATOM 0 H ARG A 53 -7.918 -0.262 -6.300 1.00 0.45 H new ATOM 0 HA ARG A 53 -5.277 -1.262 -5.706 1.00 0.53 H new ATOM 0 HB2 ARG A 53 -6.206 -3.382 -6.637 1.00 0.76 H new ATOM 0 HB3 ARG A 53 -7.300 -2.651 -5.479 1.00 0.76 H new ATOM 0 HG2 ARG A 53 -8.492 -1.535 -7.473 1.00 0.56 H new ATOM 0 HG3 ARG A 53 -7.512 -2.537 -8.525 1.00 0.56 H new ATOM 0 HD2 ARG A 53 -9.144 -3.758 -6.249 1.00 0.37 H new ATOM 0 HD3 ARG A 53 -9.861 -3.461 -7.820 1.00 0.37 H new ATOM 0 HE ARG A 53 -7.513 -4.861 -8.474 1.00 1.42 H new ATOM 0 HH11 ARG A 53 -10.157 -5.266 -6.220 1.00 1.58 H new ATOM 0 HH12 ARG A 53 -10.124 -7.031 -6.305 1.00 1.58 H new ATOM 0 HH21 ARG A 53 -7.481 -7.119 -8.591 1.00 2.76 H new ATOM 0 HH22 ARG A 53 -8.622 -8.070 -7.636 1.00 2.76 H new ATOM 904 N HIS A 54 -5.843 -0.520 -8.826 1.00 0.52 N ATOM 905 CA HIS A 54 -5.085 -0.402 -10.102 1.00 0.59 C ATOM 906 C HIS A 54 -3.811 0.388 -9.813 1.00 0.53 C ATOM 907 O HIS A 54 -2.746 0.075 -10.302 1.00 0.59 O ATOM 908 CB HIS A 54 -5.921 0.333 -11.152 1.00 0.67 C ATOM 909 CG HIS A 54 -6.989 -0.579 -11.694 1.00 1.12 C ATOM 910 ND1 HIS A 54 -7.905 -0.151 -12.642 1.00 1.81 N ATOM 911 CD2 HIS A 54 -7.303 -1.894 -11.440 1.00 1.99 C ATOM 912 CE1 HIS A 54 -8.715 -1.186 -12.924 1.00 2.38 C ATOM 913 NE2 HIS A 54 -8.394 -2.274 -12.220 1.00 2.48 N ATOM 0 H HIS A 54 -6.780 -0.117 -8.824 1.00 0.52 H new ATOM 0 HA HIS A 54 -4.847 -1.392 -10.490 1.00 0.59 H new ATOM 0 HB2 HIS A 54 -6.378 1.218 -10.710 1.00 0.67 H new ATOM 0 HB3 HIS A 54 -5.279 0.677 -11.963 1.00 0.67 H new ATOM 0 HD2 HIS A 54 -6.783 -2.534 -10.743 1.00 1.99 H new ATOM 0 HE1 HIS A 54 -9.527 -1.143 -13.634 1.00 2.38 H new ATOM 0 HE2 HIS A 54 -8.849 -3.187 -12.247 1.00 2.48 H new ATOM 921 N ASN A 55 -3.919 1.404 -9.004 1.00 0.46 N ATOM 922 CA ASN A 55 -2.721 2.216 -8.660 1.00 0.50 C ATOM 923 C ASN A 55 -1.676 1.316 -7.987 1.00 0.45 C ATOM 924 O ASN A 55 -0.495 1.421 -8.252 1.00 0.51 O ATOM 925 CB ASN A 55 -3.139 3.337 -7.706 1.00 0.53 C ATOM 926 CG ASN A 55 -1.928 4.197 -7.352 1.00 1.27 C ATOM 927 OD1 ASN A 55 -1.481 4.200 -6.221 1.00 2.07 O ATOM 928 ND2 ASN A 55 -1.377 4.935 -8.276 1.00 1.97 N ATOM 0 H ASN A 55 -4.788 1.707 -8.565 1.00 0.46 H new ATOM 0 HA ASN A 55 -2.289 2.650 -9.562 1.00 0.50 H new ATOM 0 HB2 ASN A 55 -3.910 3.952 -8.170 1.00 0.53 H new ATOM 0 HB3 ASN A 55 -3.572 2.913 -6.800 1.00 0.53 H new ATOM 0 HD21 ASN A 55 -0.570 5.516 -8.050 1.00 1.97 H new ATOM 0 HD22 ASN A 55 -1.754 4.931 -9.224 1.00 1.97 H new ATOM 935 N LEU A 56 -2.097 0.424 -7.127 1.00 0.39 N ATOM 936 CA LEU A 56 -1.116 -0.482 -6.458 1.00 0.39 C ATOM 937 C LEU A 56 -0.414 -1.347 -7.507 1.00 0.44 C ATOM 938 O LEU A 56 0.770 -1.605 -7.418 1.00 0.78 O ATOM 939 CB LEU A 56 -1.831 -1.401 -5.457 1.00 0.44 C ATOM 940 CG LEU A 56 -2.270 -0.615 -4.210 1.00 0.50 C ATOM 941 CD1 LEU A 56 -3.184 -1.498 -3.350 1.00 0.65 C ATOM 942 CD2 LEU A 56 -1.042 -0.193 -3.378 1.00 0.53 C ATOM 0 H LEU A 56 -3.072 0.284 -6.860 1.00 0.39 H new ATOM 0 HA LEU A 56 -0.386 0.131 -5.929 1.00 0.39 H new ATOM 0 HB2 LEU A 56 -2.701 -1.855 -5.931 1.00 0.44 H new ATOM 0 HB3 LEU A 56 -1.167 -2.214 -5.164 1.00 0.44 H new ATOM 0 HG LEU A 56 -2.805 0.280 -4.528 1.00 0.50 H new ATOM 0 HD11 LEU A 56 -3.497 -0.944 -2.465 1.00 0.65 H new ATOM 0 HD12 LEU A 56 -4.062 -1.785 -3.928 1.00 0.65 H new ATOM 0 HD13 LEU A 56 -2.643 -2.393 -3.045 1.00 0.65 H new ATOM 0 HD21 LEU A 56 -1.371 0.362 -2.500 1.00 0.53 H new ATOM 0 HD22 LEU A 56 -0.494 -1.081 -3.062 1.00 0.53 H new ATOM 0 HD23 LEU A 56 -0.392 0.438 -3.984 1.00 0.53 H new ATOM 954 N SER A 57 -1.138 -1.817 -8.485 1.00 0.55 N ATOM 955 CA SER A 57 -0.514 -2.686 -9.523 1.00 0.61 C ATOM 956 C SER A 57 0.535 -1.907 -10.323 1.00 0.64 C ATOM 957 O SER A 57 1.648 -2.361 -10.503 1.00 0.69 O ATOM 958 CB SER A 57 -1.599 -3.202 -10.469 1.00 0.71 C ATOM 959 OG SER A 57 -2.435 -4.117 -9.771 1.00 1.60 O ATOM 0 H SER A 57 -2.134 -1.637 -8.611 1.00 0.55 H new ATOM 0 HA SER A 57 -0.021 -3.524 -9.029 1.00 0.61 H new ATOM 0 HB2 SER A 57 -2.190 -2.370 -10.851 1.00 0.71 H new ATOM 0 HB3 SER A 57 -1.144 -3.691 -11.330 1.00 0.71 H new ATOM 0 HG SER A 57 -3.133 -4.448 -10.374 1.00 1.60 H new ATOM 965 N LEU A 58 0.198 -0.744 -10.813 1.00 0.65 N ATOM 966 CA LEU A 58 1.192 0.039 -11.606 1.00 0.73 C ATOM 967 C LEU A 58 2.303 0.558 -10.690 1.00 0.69 C ATOM 968 O LEU A 58 3.460 0.583 -11.059 1.00 0.76 O ATOM 969 CB LEU A 58 0.507 1.232 -12.290 1.00 0.81 C ATOM 970 CG LEU A 58 -0.258 0.779 -13.541 1.00 0.95 C ATOM 971 CD1 LEU A 58 -1.552 0.069 -13.139 1.00 1.38 C ATOM 972 CD2 LEU A 58 -0.603 2.005 -14.390 1.00 1.31 C ATOM 0 H LEU A 58 -0.715 -0.304 -10.700 1.00 0.65 H new ATOM 0 HA LEU A 58 1.620 -0.617 -12.365 1.00 0.73 H new ATOM 0 HB2 LEU A 58 -0.180 1.711 -11.592 1.00 0.81 H new ATOM 0 HB3 LEU A 58 1.254 1.977 -12.565 1.00 0.81 H new ATOM 0 HG LEU A 58 0.366 0.091 -14.111 1.00 0.95 H new ATOM 0 HD11 LEU A 58 -2.086 -0.248 -14.035 1.00 1.38 H new ATOM 0 HD12 LEU A 58 -1.314 -0.803 -12.530 1.00 1.38 H new ATOM 0 HD13 LEU A 58 -2.179 0.752 -12.565 1.00 1.38 H new ATOM 0 HD21 LEU A 58 -1.147 1.690 -15.280 1.00 1.31 H new ATOM 0 HD22 LEU A 58 -1.223 2.687 -13.809 1.00 1.31 H new ATOM 0 HD23 LEU A 58 0.315 2.512 -14.686 1.00 1.31 H new ATOM 984 N ASN A 59 1.962 0.999 -9.513 1.00 0.62 N ATOM 985 CA ASN A 59 3.003 1.543 -8.598 1.00 0.61 C ATOM 986 C ASN A 59 3.920 0.425 -8.106 1.00 0.56 C ATOM 987 O ASN A 59 3.488 -0.535 -7.501 1.00 0.52 O ATOM 988 CB ASN A 59 2.328 2.217 -7.405 1.00 0.64 C ATOM 989 CG ASN A 59 1.685 3.526 -7.865 1.00 0.83 C ATOM 990 OD1 ASN A 59 2.055 4.070 -8.887 1.00 1.42 O ATOM 991 ND2 ASN A 59 0.732 4.056 -7.153 1.00 1.29 N ATOM 0 H ASN A 59 1.011 1.007 -9.145 1.00 0.62 H new ATOM 0 HA ASN A 59 3.604 2.272 -9.141 1.00 0.61 H new ATOM 0 HB2 ASN A 59 1.573 1.557 -6.979 1.00 0.64 H new ATOM 0 HB3 ASN A 59 3.059 2.413 -6.621 1.00 0.64 H new ATOM 0 HD21 ASN A 59 0.296 4.928 -7.453 1.00 1.29 H new ATOM 0 HD22 ASN A 59 0.422 3.599 -6.295 1.00 1.29 H new ATOM 998 N GLU A 60 5.193 0.559 -8.360 1.00 0.62 N ATOM 999 CA GLU A 60 6.170 -0.471 -7.912 1.00 0.65 C ATOM 1000 C GLU A 60 6.676 -0.093 -6.518 1.00 0.58 C ATOM 1001 O GLU A 60 7.440 -0.811 -5.904 1.00 0.55 O ATOM 1002 CB GLU A 60 7.335 -0.500 -8.901 1.00 0.84 C ATOM 1003 CG GLU A 60 6.802 -0.851 -10.292 1.00 0.97 C ATOM 1004 CD GLU A 60 7.957 -0.885 -11.295 1.00 1.52 C ATOM 1005 OE1 GLU A 60 9.039 -0.454 -10.935 1.00 2.02 O ATOM 1006 OE2 GLU A 60 7.732 -1.330 -12.408 1.00 2.17 O ATOM 0 H GLU A 60 5.601 1.346 -8.864 1.00 0.62 H new ATOM 0 HA GLU A 60 5.703 -1.455 -7.872 1.00 0.65 H new ATOM 0 HB2 GLU A 60 7.834 0.469 -8.923 1.00 0.84 H new ATOM 0 HB3 GLU A 60 8.077 -1.234 -8.586 1.00 0.84 H new ATOM 0 HG2 GLU A 60 6.302 -1.819 -10.266 1.00 0.97 H new ATOM 0 HG3 GLU A 60 6.059 -0.116 -10.603 1.00 0.97 H new ATOM 1013 N CYS A 61 6.247 1.036 -6.020 1.00 0.62 N ATOM 1014 CA CYS A 61 6.683 1.484 -4.665 1.00 0.65 C ATOM 1015 C CYS A 61 6.259 0.449 -3.624 1.00 0.53 C ATOM 1016 O CYS A 61 6.988 0.152 -2.697 1.00 0.57 O ATOM 1017 CB CYS A 61 6.037 2.830 -4.337 1.00 0.78 C ATOM 1018 SG CYS A 61 6.763 4.119 -5.381 1.00 1.56 S ATOM 0 H CYS A 61 5.608 1.672 -6.498 1.00 0.62 H new ATOM 0 HA CYS A 61 7.768 1.590 -4.652 1.00 0.65 H new ATOM 0 HB2 CYS A 61 4.961 2.778 -4.501 1.00 0.78 H new ATOM 0 HB3 CYS A 61 6.188 3.071 -3.285 1.00 0.78 H new ATOM 0 HG CYS A 61 6.212 5.263 -5.104 1.00 1.56 H new ATOM 1024 N PHE A 62 5.083 -0.100 -3.762 1.00 0.46 N ATOM 1025 CA PHE A 62 4.615 -1.108 -2.772 1.00 0.40 C ATOM 1026 C PHE A 62 5.303 -2.446 -3.057 1.00 0.44 C ATOM 1027 O PHE A 62 5.646 -2.747 -4.184 1.00 0.55 O ATOM 1028 CB PHE A 62 3.100 -1.279 -2.900 1.00 0.44 C ATOM 1029 CG PHE A 62 2.417 0.031 -2.588 1.00 0.40 C ATOM 1030 CD1 PHE A 62 2.066 0.338 -1.268 1.00 1.29 C ATOM 1031 CD2 PHE A 62 2.135 0.937 -3.616 1.00 1.27 C ATOM 1032 CE1 PHE A 62 1.431 1.551 -0.976 1.00 1.32 C ATOM 1033 CE2 PHE A 62 1.500 2.151 -3.326 1.00 1.32 C ATOM 1034 CZ PHE A 62 1.148 2.459 -2.005 1.00 0.59 C ATOM 0 H PHE A 62 4.428 0.106 -4.516 1.00 0.46 H new ATOM 0 HA PHE A 62 4.859 -0.775 -1.763 1.00 0.40 H new ATOM 0 HB2 PHE A 62 2.844 -1.604 -3.909 1.00 0.44 H new ATOM 0 HB3 PHE A 62 2.752 -2.054 -2.218 1.00 0.44 H new ATOM 0 HD1 PHE A 62 2.285 -0.361 -0.475 1.00 1.29 H new ATOM 0 HD2 PHE A 62 2.407 0.700 -4.634 1.00 1.27 H new ATOM 0 HE1 PHE A 62 1.159 1.787 0.042 1.00 1.32 H new ATOM 0 HE2 PHE A 62 1.282 2.850 -4.120 1.00 1.32 H new ATOM 0 HZ PHE A 62 0.659 3.395 -1.780 1.00 0.59 H new ATOM 1044 N VAL A 63 5.517 -3.243 -2.040 1.00 0.46 N ATOM 1045 CA VAL A 63 6.198 -4.564 -2.227 1.00 0.55 C ATOM 1046 C VAL A 63 5.194 -5.697 -1.991 1.00 0.45 C ATOM 1047 O VAL A 63 4.496 -5.728 -0.997 1.00 0.45 O ATOM 1048 CB VAL A 63 7.345 -4.684 -1.218 1.00 0.74 C ATOM 1049 CG1 VAL A 63 8.145 -5.958 -1.500 1.00 0.85 C ATOM 1050 CG2 VAL A 63 8.266 -3.467 -1.338 1.00 0.91 C ATOM 0 H VAL A 63 5.247 -3.034 -1.079 1.00 0.46 H new ATOM 0 HA VAL A 63 6.589 -4.633 -3.242 1.00 0.55 H new ATOM 0 HB VAL A 63 6.934 -4.729 -0.210 1.00 0.74 H new ATOM 0 HG11 VAL A 63 8.960 -6.042 -0.782 1.00 0.85 H new ATOM 0 HG12 VAL A 63 7.491 -6.826 -1.410 1.00 0.85 H new ATOM 0 HG13 VAL A 63 8.554 -5.915 -2.510 1.00 0.85 H new ATOM 0 HG21 VAL A 63 9.081 -3.555 -0.619 1.00 0.91 H new ATOM 0 HG22 VAL A 63 8.676 -3.419 -2.347 1.00 0.91 H new ATOM 0 HG23 VAL A 63 7.698 -2.559 -1.133 1.00 0.91 H new ATOM 1060 N LYS A 64 5.121 -6.631 -2.903 1.00 0.53 N ATOM 1061 CA LYS A 64 4.169 -7.771 -2.749 1.00 0.56 C ATOM 1062 C LYS A 64 4.896 -8.907 -2.014 1.00 0.54 C ATOM 1063 O LYS A 64 5.907 -9.394 -2.480 1.00 0.77 O ATOM 1064 CB LYS A 64 3.767 -8.268 -4.144 1.00 0.84 C ATOM 1065 CG LYS A 64 3.121 -7.136 -4.945 1.00 0.94 C ATOM 1066 CD LYS A 64 2.753 -7.659 -6.342 1.00 1.11 C ATOM 1067 CE LYS A 64 2.098 -6.550 -7.187 1.00 1.05 C ATOM 1068 NZ LYS A 64 2.615 -6.626 -8.583 1.00 1.81 N ATOM 0 H LYS A 64 5.684 -6.653 -3.753 1.00 0.53 H new ATOM 0 HA LYS A 64 3.285 -7.459 -2.193 1.00 0.56 H new ATOM 0 HB2 LYS A 64 4.645 -8.641 -4.672 1.00 0.84 H new ATOM 0 HB3 LYS A 64 3.071 -9.102 -4.054 1.00 0.84 H new ATOM 0 HG2 LYS A 64 2.230 -6.773 -4.432 1.00 0.94 H new ATOM 0 HG3 LYS A 64 3.808 -6.293 -5.027 1.00 0.94 H new ATOM 0 HD2 LYS A 64 3.648 -8.025 -6.845 1.00 1.11 H new ATOM 0 HD3 LYS A 64 2.070 -8.504 -6.251 1.00 1.11 H new ATOM 0 HE2 LYS A 64 1.014 -6.665 -7.181 1.00 1.05 H new ATOM 0 HE3 LYS A 64 2.317 -5.572 -6.758 1.00 1.05 H new ATOM 0 HZ1 LYS A 64 2.175 -5.879 -9.157 1.00 1.81 H new ATOM 0 HZ2 LYS A 64 3.647 -6.497 -8.579 1.00 1.81 H new ATOM 0 HZ3 LYS A 64 2.384 -7.555 -8.989 1.00 1.81 H new ATOM 1082 N VAL A 65 4.411 -9.331 -0.871 1.00 0.50 N ATOM 1083 CA VAL A 65 5.100 -10.432 -0.116 1.00 0.57 C ATOM 1084 C VAL A 65 4.340 -11.758 -0.339 1.00 0.63 C ATOM 1085 O VAL A 65 3.146 -11.817 -0.118 1.00 0.84 O ATOM 1086 CB VAL A 65 5.106 -10.091 1.390 1.00 0.69 C ATOM 1087 CG1 VAL A 65 6.363 -10.654 2.059 1.00 1.28 C ATOM 1088 CG2 VAL A 65 5.077 -8.571 1.575 1.00 0.69 C ATOM 0 H VAL A 65 3.569 -8.964 -0.427 1.00 0.50 H new ATOM 0 HA VAL A 65 6.125 -10.535 -0.472 1.00 0.57 H new ATOM 0 HB VAL A 65 4.225 -10.537 1.851 1.00 0.69 H new ATOM 0 HG11 VAL A 65 6.353 -10.405 3.120 1.00 1.28 H new ATOM 0 HG12 VAL A 65 6.384 -11.737 1.940 1.00 1.28 H new ATOM 0 HG13 VAL A 65 7.248 -10.221 1.593 1.00 1.28 H new ATOM 0 HG21 VAL A 65 5.081 -8.334 2.639 1.00 0.69 H new ATOM 0 HG22 VAL A 65 5.954 -8.130 1.101 1.00 0.69 H new ATOM 0 HG23 VAL A 65 4.175 -8.166 1.117 1.00 0.69 H new ATOM 1098 N PRO A 66 4.996 -12.821 -0.758 1.00 0.81 N ATOM 1099 CA PRO A 66 4.315 -14.131 -0.978 1.00 0.96 C ATOM 1100 C PRO A 66 4.046 -14.868 0.341 1.00 0.95 C ATOM 1101 O PRO A 66 4.768 -14.710 1.305 1.00 1.13 O ATOM 1102 CB PRO A 66 5.310 -14.911 -1.844 1.00 1.25 C ATOM 1103 CG PRO A 66 6.651 -14.382 -1.446 1.00 1.65 C ATOM 1104 CD PRO A 66 6.438 -12.909 -1.070 1.00 1.18 C ATOM 0 HA PRO A 66 3.336 -14.014 -1.443 1.00 0.96 H new ATOM 0 HB2 PRO A 66 5.237 -15.983 -1.663 1.00 1.25 H new ATOM 0 HB3 PRO A 66 5.121 -14.753 -2.906 1.00 1.25 H new ATOM 0 HG2 PRO A 66 7.056 -14.944 -0.604 1.00 1.65 H new ATOM 0 HG3 PRO A 66 7.365 -14.475 -2.265 1.00 1.65 H new ATOM 0 HD2 PRO A 66 7.049 -12.624 -0.214 1.00 1.18 H new ATOM 0 HD3 PRO A 66 6.709 -12.245 -1.891 1.00 1.18 H new ATOM 1112 N ARG A 67 3.016 -15.670 0.392 1.00 1.01 N ATOM 1113 CA ARG A 67 2.715 -16.406 1.654 1.00 1.04 C ATOM 1114 C ARG A 67 3.613 -17.641 1.759 1.00 1.22 C ATOM 1115 O ARG A 67 4.034 -18.202 0.766 1.00 1.43 O ATOM 1116 CB ARG A 67 1.256 -16.868 1.665 1.00 1.12 C ATOM 1117 CG ARG A 67 0.310 -15.659 1.559 1.00 1.26 C ATOM 1118 CD ARG A 67 -1.002 -15.968 2.288 1.00 1.35 C ATOM 1119 NE ARG A 67 -1.575 -17.240 1.766 1.00 2.34 N ATOM 1120 CZ ARG A 67 -2.494 -17.870 2.445 1.00 3.01 C ATOM 1121 NH1 ARG A 67 -2.907 -17.391 3.588 1.00 3.04 N ATOM 1122 NH2 ARG A 67 -2.996 -18.983 1.984 1.00 4.09 N ATOM 0 H ARG A 67 2.374 -15.847 -0.380 1.00 1.01 H new ATOM 0 HA ARG A 67 2.895 -15.735 2.494 1.00 1.04 H new ATOM 0 HB2 ARG A 67 1.078 -17.551 0.835 1.00 1.12 H new ATOM 0 HB3 ARG A 67 1.050 -17.420 2.582 1.00 1.12 H new ATOM 0 HG2 ARG A 67 0.780 -14.777 1.994 1.00 1.26 H new ATOM 0 HG3 ARG A 67 0.111 -15.431 0.512 1.00 1.26 H new ATOM 0 HD2 ARG A 67 -0.824 -16.051 3.360 1.00 1.35 H new ATOM 0 HD3 ARG A 67 -1.710 -15.152 2.145 1.00 1.35 H new ATOM 0 HE ARG A 67 -1.249 -17.619 0.877 1.00 2.34 H new ATOM 0 HH11 ARG A 67 -2.511 -16.524 3.950 1.00 3.04 H new ATOM 0 HH12 ARG A 67 -3.625 -17.884 4.118 1.00 3.04 H new ATOM 0 HH21 ARG A 67 -2.670 -19.359 1.094 1.00 4.09 H new ATOM 0 HH22 ARG A 67 -3.714 -19.476 2.514 1.00 4.09 H new ATOM 1136 N ASP A 68 3.891 -18.078 2.956 1.00 1.37 N ATOM 1137 CA ASP A 68 4.743 -19.289 3.133 1.00 1.69 C ATOM 1138 C ASP A 68 3.891 -20.544 2.930 1.00 1.82 C ATOM 1139 O ASP A 68 2.677 -20.491 2.929 1.00 1.72 O ATOM 1140 CB ASP A 68 5.341 -19.294 4.540 1.00 2.04 C ATOM 1141 CG ASP A 68 6.411 -18.203 4.645 1.00 2.36 C ATOM 1142 OD1 ASP A 68 6.936 -17.816 3.614 1.00 2.80 O ATOM 1143 OD2 ASP A 68 6.686 -17.775 5.755 1.00 2.84 O ATOM 0 H ASP A 68 3.565 -17.648 3.822 1.00 1.37 H new ATOM 0 HA ASP A 68 5.550 -19.277 2.400 1.00 1.69 H new ATOM 0 HB2 ASP A 68 4.559 -19.123 5.280 1.00 2.04 H new ATOM 0 HB3 ASP A 68 5.778 -20.269 4.757 1.00 2.04 H new ATOM 1148 N ASP A 69 4.519 -21.673 2.749 1.00 2.20 N ATOM 1149 CA ASP A 69 3.752 -22.933 2.536 1.00 2.51 C ATOM 1150 C ASP A 69 2.859 -23.205 3.752 1.00 2.64 C ATOM 1151 O ASP A 69 1.731 -23.635 3.621 1.00 2.81 O ATOM 1152 CB ASP A 69 4.729 -24.096 2.354 1.00 2.99 C ATOM 1153 CG ASP A 69 5.477 -23.928 1.029 1.00 3.02 C ATOM 1154 OD1 ASP A 69 5.022 -23.149 0.208 1.00 3.02 O ATOM 1155 OD2 ASP A 69 6.493 -24.582 0.859 1.00 3.46 O ATOM 0 H ASP A 69 5.534 -21.778 2.739 1.00 2.20 H new ATOM 0 HA ASP A 69 3.130 -22.833 1.646 1.00 2.51 H new ATOM 0 HB2 ASP A 69 5.436 -24.124 3.183 1.00 2.99 H new ATOM 0 HB3 ASP A 69 4.190 -25.043 2.363 1.00 2.99 H new ATOM 1160 N LYS A 70 3.357 -22.960 4.933 1.00 2.71 N ATOM 1161 CA LYS A 70 2.541 -23.207 6.157 1.00 3.01 C ATOM 1162 C LYS A 70 1.170 -22.550 5.987 1.00 2.88 C ATOM 1163 O LYS A 70 0.238 -22.836 6.713 1.00 3.27 O ATOM 1164 CB LYS A 70 3.253 -22.609 7.372 1.00 3.24 C ATOM 1165 CG LYS A 70 4.573 -23.352 7.600 1.00 3.55 C ATOM 1166 CD LYS A 70 5.234 -22.860 8.893 1.00 3.99 C ATOM 1167 CE LYS A 70 5.747 -21.427 8.717 1.00 4.15 C ATOM 1168 NZ LYS A 70 6.733 -21.122 9.793 1.00 4.50 N ATOM 0 H LYS A 70 4.295 -22.599 5.104 1.00 2.71 H new ATOM 0 HA LYS A 70 2.415 -24.279 6.307 1.00 3.01 H new ATOM 0 HB2 LYS A 70 3.443 -21.548 7.211 1.00 3.24 H new ATOM 0 HB3 LYS A 70 2.620 -22.689 8.255 1.00 3.24 H new ATOM 0 HG2 LYS A 70 4.390 -24.425 7.660 1.00 3.55 H new ATOM 0 HG3 LYS A 70 5.242 -23.190 6.755 1.00 3.55 H new ATOM 0 HD2 LYS A 70 4.517 -22.899 9.713 1.00 3.99 H new ATOM 0 HD3 LYS A 70 6.060 -23.519 9.160 1.00 3.99 H new ATOM 0 HE2 LYS A 70 6.212 -21.313 7.738 1.00 4.15 H new ATOM 0 HE3 LYS A 70 4.916 -20.723 8.759 1.00 4.15 H new ATOM 0 HZ1 LYS A 70 7.084 -20.150 9.677 1.00 4.50 H new ATOM 0 HZ2 LYS A 70 6.274 -21.216 10.721 1.00 4.50 H new ATOM 0 HZ3 LYS A 70 7.530 -21.787 9.732 1.00 4.50 H new ATOM 1182 N LYS A 71 1.046 -21.672 5.025 1.00 2.51 N ATOM 1183 CA LYS A 71 -0.252 -20.975 4.774 1.00 2.52 C ATOM 1184 C LYS A 71 -0.643 -21.179 3.307 1.00 2.41 C ATOM 1185 O LYS A 71 -0.427 -20.314 2.482 1.00 2.53 O ATOM 1186 CB LYS A 71 -0.078 -19.476 5.034 1.00 2.71 C ATOM 1187 CG LYS A 71 0.248 -19.241 6.510 1.00 3.18 C ATOM 1188 CD LYS A 71 0.350 -17.736 6.767 1.00 3.84 C ATOM 1189 CE LYS A 71 0.397 -17.470 8.272 1.00 4.55 C ATOM 1190 NZ LYS A 71 1.499 -18.264 8.886 1.00 5.12 N ATOM 0 H LYS A 71 1.801 -21.404 4.393 1.00 2.51 H new ATOM 0 HA LYS A 71 -1.023 -21.377 5.431 1.00 2.52 H new ATOM 0 HB2 LYS A 71 0.721 -19.079 4.408 1.00 2.71 H new ATOM 0 HB3 LYS A 71 -0.989 -18.942 4.764 1.00 2.71 H new ATOM 0 HG2 LYS A 71 -0.526 -19.678 7.140 1.00 3.18 H new ATOM 0 HG3 LYS A 71 1.186 -19.731 6.771 1.00 3.18 H new ATOM 0 HD2 LYS A 71 1.245 -17.336 6.290 1.00 3.84 H new ATOM 0 HD3 LYS A 71 -0.504 -17.223 6.324 1.00 3.84 H new ATOM 0 HE2 LYS A 71 0.553 -16.408 8.459 1.00 4.55 H new ATOM 0 HE3 LYS A 71 -0.556 -17.738 8.729 1.00 4.55 H new ATOM 0 HZ1 LYS A 71 1.732 -17.870 9.820 1.00 5.12 H new ATOM 0 HZ2 LYS A 71 1.196 -19.253 8.993 1.00 5.12 H new ATOM 0 HZ3 LYS A 71 2.339 -18.224 8.274 1.00 5.12 H new ATOM 1204 N PRO A 72 -1.196 -22.318 2.971 1.00 2.64 N ATOM 1205 CA PRO A 72 -1.594 -22.623 1.568 1.00 2.88 C ATOM 1206 C PRO A 72 -2.886 -21.909 1.158 1.00 2.93 C ATOM 1207 O PRO A 72 -3.867 -21.911 1.875 1.00 3.55 O ATOM 1208 CB PRO A 72 -1.775 -24.147 1.571 1.00 3.42 C ATOM 1209 CG PRO A 72 -2.163 -24.487 2.975 1.00 3.63 C ATOM 1210 CD PRO A 72 -1.510 -23.437 3.883 1.00 3.15 C ATOM 0 HA PRO A 72 -0.853 -22.279 0.846 1.00 2.88 H new ATOM 0 HB2 PRO A 72 -2.545 -24.455 0.863 1.00 3.42 H new ATOM 0 HB3 PRO A 72 -0.855 -24.655 1.282 1.00 3.42 H new ATOM 0 HG2 PRO A 72 -3.247 -24.477 3.090 1.00 3.63 H new ATOM 0 HG3 PRO A 72 -1.824 -25.489 3.238 1.00 3.63 H new ATOM 0 HD2 PRO A 72 -2.184 -23.124 4.680 1.00 3.15 H new ATOM 0 HD3 PRO A 72 -0.611 -23.827 4.361 1.00 3.15 H new ATOM 1218 N GLY A 73 -2.886 -21.293 0.003 1.00 2.75 N ATOM 1219 CA GLY A 73 -4.101 -20.568 -0.473 1.00 3.15 C ATOM 1220 C GLY A 73 -3.676 -19.278 -1.178 1.00 2.55 C ATOM 1221 O GLY A 73 -3.287 -19.285 -2.328 1.00 2.83 O ATOM 0 H GLY A 73 -2.090 -21.262 -0.634 1.00 2.75 H new ATOM 0 HA2 GLY A 73 -4.671 -21.198 -1.156 1.00 3.15 H new ATOM 0 HA3 GLY A 73 -4.754 -20.338 0.369 1.00 3.15 H new ATOM 1225 N LYS A 74 -3.749 -18.168 -0.495 1.00 2.13 N ATOM 1226 CA LYS A 74 -3.351 -16.876 -1.122 1.00 1.96 C ATOM 1227 C LYS A 74 -1.829 -16.827 -1.280 1.00 1.78 C ATOM 1228 O LYS A 74 -1.099 -17.493 -0.574 1.00 2.25 O ATOM 1229 CB LYS A 74 -3.803 -15.720 -0.227 1.00 2.32 C ATOM 1230 CG LYS A 74 -5.330 -15.636 -0.219 1.00 2.88 C ATOM 1231 CD LYS A 74 -5.767 -14.476 0.679 1.00 3.39 C ATOM 1232 CE LYS A 74 -7.293 -14.382 0.696 1.00 4.03 C ATOM 1233 NZ LYS A 74 -7.719 -13.490 1.812 1.00 4.36 N ATOM 0 H LYS A 74 -4.068 -18.100 0.472 1.00 2.13 H new ATOM 0 HA LYS A 74 -3.820 -16.790 -2.102 1.00 1.96 H new ATOM 0 HB2 LYS A 74 -3.433 -15.867 0.787 1.00 2.32 H new ATOM 0 HB3 LYS A 74 -3.380 -14.782 -0.588 1.00 2.32 H new ATOM 0 HG2 LYS A 74 -5.703 -15.487 -1.232 1.00 2.88 H new ATOM 0 HG3 LYS A 74 -5.755 -16.572 0.143 1.00 2.88 H new ATOM 0 HD2 LYS A 74 -5.391 -14.626 1.691 1.00 3.39 H new ATOM 0 HD3 LYS A 74 -5.340 -13.541 0.315 1.00 3.39 H new ATOM 0 HE2 LYS A 74 -7.655 -13.992 -0.255 1.00 4.03 H new ATOM 0 HE3 LYS A 74 -7.729 -15.373 0.821 1.00 4.03 H new ATOM 0 HZ1 LYS A 74 -8.757 -13.424 1.827 1.00 4.36 H new ATOM 0 HZ2 LYS A 74 -7.384 -13.881 2.716 1.00 4.36 H new ATOM 0 HZ3 LYS A 74 -7.314 -12.542 1.673 1.00 4.36 H new ATOM 1247 N GLY A 75 -1.346 -16.041 -2.208 1.00 1.86 N ATOM 1248 CA GLY A 75 0.130 -15.935 -2.429 1.00 2.03 C ATOM 1249 C GLY A 75 0.505 -14.466 -2.629 1.00 1.56 C ATOM 1250 O GLY A 75 1.335 -14.137 -3.454 1.00 1.89 O ATOM 0 H GLY A 75 -1.914 -15.463 -2.827 1.00 1.86 H new ATOM 0 HA2 GLY A 75 0.668 -16.347 -1.575 1.00 2.03 H new ATOM 0 HA3 GLY A 75 0.422 -16.519 -3.302 1.00 2.03 H new ATOM 1254 N SER A 76 -0.099 -13.575 -1.887 1.00 1.22 N ATOM 1255 CA SER A 76 0.229 -12.129 -2.052 1.00 0.88 C ATOM 1256 C SER A 76 -0.133 -11.348 -0.785 1.00 0.69 C ATOM 1257 O SER A 76 -1.031 -11.705 -0.049 1.00 0.93 O ATOM 1258 CB SER A 76 -0.568 -11.564 -3.229 1.00 1.12 C ATOM 1259 OG SER A 76 -1.951 -11.556 -2.898 1.00 1.80 O ATOM 0 H SER A 76 -0.801 -13.785 -1.178 1.00 1.22 H new ATOM 0 HA SER A 76 1.299 -12.030 -2.236 1.00 0.88 H new ATOM 0 HB2 SER A 76 -0.231 -10.553 -3.459 1.00 1.12 H new ATOM 0 HB3 SER A 76 -0.399 -12.167 -4.121 1.00 1.12 H new ATOM 0 HG SER A 76 -2.465 -11.193 -3.649 1.00 1.80 H new ATOM 1265 N TYR A 77 0.562 -10.269 -0.547 1.00 0.60 N ATOM 1266 CA TYR A 77 0.285 -9.413 0.643 1.00 0.46 C ATOM 1267 C TYR A 77 0.709 -7.983 0.290 1.00 0.38 C ATOM 1268 O TYR A 77 1.341 -7.756 -0.723 1.00 0.50 O ATOM 1269 CB TYR A 77 1.101 -9.911 1.852 1.00 0.65 C ATOM 1270 CG TYR A 77 0.277 -10.828 2.741 1.00 0.53 C ATOM 1271 CD1 TYR A 77 -0.936 -10.384 3.295 1.00 1.23 C ATOM 1272 CD2 TYR A 77 0.742 -12.120 3.034 1.00 1.39 C ATOM 1273 CE1 TYR A 77 -1.677 -11.231 4.128 1.00 1.32 C ATOM 1274 CE2 TYR A 77 0.000 -12.962 3.870 1.00 1.38 C ATOM 1275 CZ TYR A 77 -1.209 -12.518 4.416 1.00 0.70 C ATOM 1276 OH TYR A 77 -1.941 -13.348 5.241 1.00 0.90 O ATOM 0 H TYR A 77 1.325 -9.938 -1.138 1.00 0.60 H new ATOM 0 HA TYR A 77 -0.773 -9.451 0.903 1.00 0.46 H new ATOM 0 HB2 TYR A 77 1.986 -10.442 1.501 1.00 0.65 H new ATOM 0 HB3 TYR A 77 1.451 -9.057 2.433 1.00 0.65 H new ATOM 0 HD1 TYR A 77 -1.297 -9.389 3.078 1.00 1.23 H new ATOM 0 HD2 TYR A 77 1.675 -12.465 2.613 1.00 1.39 H new ATOM 0 HE1 TYR A 77 -2.611 -10.890 4.549 1.00 1.32 H new ATOM 0 HE2 TYR A 77 0.361 -13.955 4.094 1.00 1.38 H new ATOM 0 HH TYR A 77 -1.477 -14.206 5.337 1.00 0.90 H new ATOM 1286 N TRP A 78 0.374 -7.020 1.112 1.00 0.32 N ATOM 1287 CA TRP A 78 0.767 -5.606 0.821 1.00 0.31 C ATOM 1288 C TRP A 78 1.361 -4.970 2.080 1.00 0.32 C ATOM 1289 O TRP A 78 0.745 -4.952 3.128 1.00 0.38 O ATOM 1290 CB TRP A 78 -0.476 -4.830 0.379 1.00 0.34 C ATOM 1291 CG TRP A 78 -0.944 -5.391 -0.923 1.00 0.34 C ATOM 1292 CD1 TRP A 78 -1.904 -6.334 -1.064 1.00 0.44 C ATOM 1293 CD2 TRP A 78 -0.479 -5.074 -2.265 1.00 0.32 C ATOM 1294 NE1 TRP A 78 -2.053 -6.620 -2.409 1.00 0.46 N ATOM 1295 CE2 TRP A 78 -1.199 -5.868 -3.190 1.00 0.38 C ATOM 1296 CE3 TRP A 78 0.486 -4.185 -2.765 1.00 0.37 C ATOM 1297 CZ2 TRP A 78 -0.962 -5.781 -4.564 1.00 0.43 C ATOM 1298 CZ3 TRP A 78 0.723 -4.093 -4.144 1.00 0.45 C ATOM 1299 CH2 TRP A 78 0.002 -4.890 -5.042 1.00 0.46 C ATOM 0 H TRP A 78 -0.156 -7.152 1.974 1.00 0.32 H new ATOM 0 HA TRP A 78 1.515 -5.581 0.028 1.00 0.31 H new ATOM 0 HB2 TRP A 78 -1.261 -4.911 1.131 1.00 0.34 H new ATOM 0 HB3 TRP A 78 -0.244 -3.770 0.274 1.00 0.34 H new ATOM 0 HD1 TRP A 78 -2.462 -6.789 -0.259 1.00 0.44 H new ATOM 0 HE1 TRP A 78 -2.714 -7.304 -2.779 1.00 0.46 H new ATOM 0 HE3 TRP A 78 1.050 -3.567 -2.082 1.00 0.37 H new ATOM 0 HZ2 TRP A 78 -1.520 -6.398 -5.252 1.00 0.43 H new ATOM 0 HZ3 TRP A 78 1.466 -3.403 -4.516 1.00 0.45 H new ATOM 0 HH2 TRP A 78 0.191 -4.816 -6.103 1.00 0.46 H new ATOM 1310 N THR A 79 2.554 -4.445 1.985 1.00 0.33 N ATOM 1311 CA THR A 79 3.193 -3.808 3.174 1.00 0.37 C ATOM 1312 C THR A 79 4.181 -2.732 2.716 1.00 0.40 C ATOM 1313 O THR A 79 4.741 -2.807 1.640 1.00 0.45 O ATOM 1314 CB THR A 79 3.937 -4.869 3.995 1.00 0.49 C ATOM 1315 OG1 THR A 79 4.571 -4.245 5.100 1.00 0.55 O ATOM 1316 CG2 THR A 79 4.990 -5.568 3.132 1.00 0.56 C ATOM 0 H THR A 79 3.115 -4.430 1.133 1.00 0.33 H new ATOM 0 HA THR A 79 2.420 -3.350 3.791 1.00 0.37 H new ATOM 0 HB THR A 79 3.221 -5.612 4.347 1.00 0.49 H new ATOM 0 HG1 THR A 79 5.046 -4.920 5.628 1.00 0.55 H new ATOM 0 HG21 THR A 79 5.510 -6.318 3.728 1.00 0.56 H new ATOM 0 HG22 THR A 79 4.504 -6.051 2.285 1.00 0.56 H new ATOM 0 HG23 THR A 79 5.708 -4.833 2.768 1.00 0.56 H new ATOM 1324 N LEU A 80 4.405 -1.738 3.531 1.00 0.45 N ATOM 1325 CA LEU A 80 5.364 -0.663 3.151 1.00 0.53 C ATOM 1326 C LEU A 80 6.790 -1.171 3.366 1.00 0.74 C ATOM 1327 O LEU A 80 7.012 -2.157 4.042 1.00 1.42 O ATOM 1328 CB LEU A 80 5.132 0.576 4.023 1.00 0.54 C ATOM 1329 CG LEU A 80 3.793 1.234 3.667 1.00 0.63 C ATOM 1330 CD1 LEU A 80 3.472 2.307 4.712 1.00 0.86 C ATOM 1331 CD2 LEU A 80 3.859 1.877 2.270 1.00 0.81 C ATOM 0 H LEU A 80 3.965 -1.624 4.444 1.00 0.45 H new ATOM 0 HA LEU A 80 5.215 -0.397 2.105 1.00 0.53 H new ATOM 0 HB2 LEU A 80 5.138 0.294 5.076 1.00 0.54 H new ATOM 0 HB3 LEU A 80 5.945 1.288 3.879 1.00 0.54 H new ATOM 0 HG LEU A 80 3.013 0.473 3.660 1.00 0.63 H new ATOM 0 HD11 LEU A 80 2.521 2.781 4.467 1.00 0.86 H new ATOM 0 HD12 LEU A 80 3.405 1.846 5.698 1.00 0.86 H new ATOM 0 HD13 LEU A 80 4.261 3.059 4.716 1.00 0.86 H new ATOM 0 HD21 LEU A 80 2.900 2.338 2.036 1.00 0.81 H new ATOM 0 HD22 LEU A 80 4.640 2.637 2.256 1.00 0.81 H new ATOM 0 HD23 LEU A 80 4.084 1.112 1.527 1.00 0.81 H new ATOM 1343 N ASP A 81 7.758 -0.513 2.790 1.00 1.02 N ATOM 1344 CA ASP A 81 9.169 -0.962 2.956 1.00 1.23 C ATOM 1345 C ASP A 81 9.450 -1.153 4.456 1.00 1.68 C ATOM 1346 O ASP A 81 8.586 -0.920 5.278 1.00 2.48 O ATOM 1347 CB ASP A 81 10.115 0.089 2.349 1.00 2.21 C ATOM 1348 CG ASP A 81 9.387 0.864 1.246 1.00 3.06 C ATOM 1349 OD1 ASP A 81 8.616 1.749 1.581 1.00 3.59 O ATOM 1350 OD2 ASP A 81 9.608 0.554 0.086 1.00 3.72 O ATOM 0 H ASP A 81 7.633 0.317 2.211 1.00 1.02 H new ATOM 0 HA ASP A 81 9.333 -1.908 2.440 1.00 1.23 H new ATOM 0 HB2 ASP A 81 10.457 0.775 3.124 1.00 2.21 H new ATOM 0 HB3 ASP A 81 11.001 -0.398 1.941 1.00 2.21 H new ATOM 1355 N PRO A 82 10.630 -1.587 4.823 1.00 1.94 N ATOM 1356 CA PRO A 82 10.977 -1.815 6.258 1.00 2.93 C ATOM 1357 C PRO A 82 10.877 -0.525 7.076 1.00 3.37 C ATOM 1358 O PRO A 82 10.034 0.315 6.829 1.00 3.55 O ATOM 1359 CB PRO A 82 12.423 -2.343 6.217 1.00 3.39 C ATOM 1360 CG PRO A 82 12.625 -2.816 4.814 1.00 3.08 C ATOM 1361 CD PRO A 82 11.770 -1.898 3.945 1.00 2.16 C ATOM 0 HA PRO A 82 10.292 -2.512 6.742 1.00 2.93 H new ATOM 0 HB2 PRO A 82 13.136 -1.560 6.476 1.00 3.39 H new ATOM 0 HB3 PRO A 82 12.567 -3.154 6.931 1.00 3.39 H new ATOM 0 HG2 PRO A 82 13.675 -2.760 4.529 1.00 3.08 H new ATOM 0 HG3 PRO A 82 12.320 -3.857 4.703 1.00 3.08 H new ATOM 0 HD2 PRO A 82 12.312 -0.999 3.652 1.00 2.16 H new ATOM 0 HD3 PRO A 82 11.451 -2.392 3.027 1.00 2.16 H new ATOM 1369 N ASP A 83 11.733 -0.356 8.045 1.00 3.97 N ATOM 1370 CA ASP A 83 11.687 0.884 8.869 1.00 4.69 C ATOM 1371 C ASP A 83 12.391 2.016 8.121 1.00 4.54 C ATOM 1372 O ASP A 83 13.335 2.604 8.610 1.00 5.25 O ATOM 1373 CB ASP A 83 12.387 0.640 10.207 1.00 5.64 C ATOM 1374 CG ASP A 83 11.529 -0.287 11.069 1.00 6.30 C ATOM 1375 OD1 ASP A 83 10.344 -0.385 10.799 1.00 6.58 O ATOM 1376 OD2 ASP A 83 12.071 -0.885 11.983 1.00 6.82 O ATOM 0 H ASP A 83 12.462 -1.022 8.302 1.00 3.97 H new ATOM 0 HA ASP A 83 10.648 1.159 9.053 1.00 4.69 H new ATOM 0 HB2 ASP A 83 13.368 0.195 10.041 1.00 5.64 H new ATOM 0 HB3 ASP A 83 12.550 1.586 10.723 1.00 5.64 H new ATOM 1381 N SER A 84 11.938 2.330 6.936 1.00 3.92 N ATOM 1382 CA SER A 84 12.583 3.428 6.166 1.00 4.33 C ATOM 1383 C SER A 84 12.075 4.771 6.694 1.00 5.33 C ATOM 1384 O SER A 84 11.133 5.338 6.175 1.00 6.00 O ATOM 1385 CB SER A 84 12.227 3.292 4.684 1.00 4.14 C ATOM 1386 OG SER A 84 10.847 3.578 4.504 1.00 4.59 O ATOM 0 H SER A 84 11.152 1.874 6.471 1.00 3.92 H new ATOM 0 HA SER A 84 13.666 3.373 6.281 1.00 4.33 H new ATOM 0 HB2 SER A 84 12.832 3.975 4.089 1.00 4.14 H new ATOM 0 HB3 SER A 84 12.449 2.283 4.336 1.00 4.14 H new ATOM 0 HG SER A 84 10.674 4.515 4.734 1.00 4.59 H new ATOM 1392 N TYR A 85 12.692 5.284 7.726 1.00 5.76 N ATOM 1393 CA TYR A 85 12.248 6.590 8.297 1.00 6.92 C ATOM 1394 C TYR A 85 13.010 7.722 7.597 1.00 7.49 C ATOM 1395 O TYR A 85 12.492 8.373 6.709 1.00 8.23 O ATOM 1396 CB TYR A 85 12.542 6.597 9.814 1.00 7.50 C ATOM 1397 CG TYR A 85 11.258 6.442 10.605 1.00 8.21 C ATOM 1398 CD1 TYR A 85 10.307 7.468 10.589 1.00 8.68 C ATOM 1399 CD2 TYR A 85 11.020 5.279 11.348 1.00 8.68 C ATOM 1400 CE1 TYR A 85 9.118 7.333 11.317 1.00 9.57 C ATOM 1401 CE2 TYR A 85 9.831 5.143 12.075 1.00 9.56 C ATOM 1402 CZ TYR A 85 8.879 6.171 12.059 1.00 9.97 C ATOM 1403 OH TYR A 85 7.708 6.036 12.778 1.00 11.00 O ATOM 0 H TYR A 85 13.486 4.854 8.199 1.00 5.76 H new ATOM 0 HA TYR A 85 11.179 6.734 8.142 1.00 6.92 H new ATOM 0 HB2 TYR A 85 13.228 5.787 10.061 1.00 7.50 H new ATOM 0 HB3 TYR A 85 13.036 7.529 10.090 1.00 7.50 H new ATOM 0 HD1 TYR A 85 10.490 8.364 10.015 1.00 8.68 H new ATOM 0 HD2 TYR A 85 11.754 4.487 11.360 1.00 8.68 H new ATOM 0 HE1 TYR A 85 8.385 8.126 11.306 1.00 9.57 H new ATOM 0 HE2 TYR A 85 9.648 4.246 12.648 1.00 9.56 H new ATOM 0 HH TYR A 85 7.703 5.169 13.235 1.00 11.00 H new ATOM 1413 N ASN A 86 14.234 7.961 7.988 1.00 7.43 N ATOM 1414 CA ASN A 86 15.034 9.050 7.348 1.00 8.27 C ATOM 1415 C ASN A 86 15.913 8.450 6.252 1.00 8.09 C ATOM 1416 O ASN A 86 16.736 9.119 5.659 1.00 8.83 O ATOM 1417 CB ASN A 86 15.915 9.721 8.403 1.00 8.92 C ATOM 1418 CG ASN A 86 15.029 10.319 9.498 1.00 9.54 C ATOM 1419 OD1 ASN A 86 14.087 11.030 9.213 1.00 9.83 O ATOM 1420 ND2 ASN A 86 15.289 10.053 10.749 1.00 10.00 N ATOM 0 H ASN A 86 14.717 7.448 8.725 1.00 7.43 H new ATOM 0 HA ASN A 86 14.364 9.792 6.913 1.00 8.27 H new ATOM 0 HB2 ASN A 86 16.604 8.994 8.833 1.00 8.92 H new ATOM 0 HB3 ASN A 86 16.521 10.502 7.944 1.00 8.92 H new ATOM 0 HD21 ASN A 86 14.701 10.442 11.486 1.00 10.00 H new ATOM 0 HD22 ASN A 86 16.080 9.456 10.990 1.00 10.00 H new ATOM 1427 N MET A 87 15.736 7.189 5.984 1.00 7.32 N ATOM 1428 CA MET A 87 16.548 6.519 4.931 1.00 7.47 C ATOM 1429 C MET A 87 16.296 7.194 3.582 1.00 8.26 C ATOM 1430 O MET A 87 15.183 7.561 3.260 1.00 8.47 O ATOM 1431 CB MET A 87 16.142 5.047 4.850 1.00 6.75 C ATOM 1432 CG MET A 87 16.605 4.314 6.112 1.00 6.65 C ATOM 1433 SD MET A 87 15.570 4.807 7.512 1.00 7.12 S ATOM 1434 CE MET A 87 16.743 4.373 8.821 1.00 7.20 C ATOM 0 H MET A 87 15.058 6.588 6.453 1.00 7.32 H new ATOM 0 HA MET A 87 17.607 6.596 5.178 1.00 7.47 H new ATOM 0 HB2 MET A 87 15.060 4.963 4.745 1.00 6.75 H new ATOM 0 HB3 MET A 87 16.584 4.586 3.967 1.00 6.75 H new ATOM 0 HG2 MET A 87 16.543 3.236 5.962 1.00 6.65 H new ATOM 0 HG3 MET A 87 17.649 4.548 6.318 1.00 6.65 H new ATOM 0 HE1 MET A 87 16.304 4.599 9.793 1.00 7.20 H new ATOM 0 HE2 MET A 87 16.973 3.309 8.765 1.00 7.20 H new ATOM 0 HE3 MET A 87 17.659 4.950 8.694 1.00 7.20 H new ATOM 1444 N PHE A 88 17.327 7.355 2.792 1.00 8.91 N ATOM 1445 CA PHE A 88 17.182 7.999 1.454 1.00 9.87 C ATOM 1446 C PHE A 88 17.468 6.955 0.378 1.00 10.04 C ATOM 1447 O PHE A 88 18.598 6.565 0.155 1.00 10.49 O ATOM 1448 CB PHE A 88 18.190 9.143 1.336 1.00 10.68 C ATOM 1449 CG PHE A 88 17.888 10.188 2.383 1.00 10.96 C ATOM 1450 CD1 PHE A 88 17.013 11.241 2.093 1.00 11.04 C ATOM 1451 CD2 PHE A 88 18.479 10.098 3.650 1.00 11.40 C ATOM 1452 CE1 PHE A 88 16.730 12.206 3.066 1.00 11.55 C ATOM 1453 CE2 PHE A 88 18.197 11.063 4.624 1.00 11.89 C ATOM 1454 CZ PHE A 88 17.322 12.116 4.332 1.00 11.97 C ATOM 0 H PHE A 88 18.277 7.063 3.022 1.00 8.91 H new ATOM 0 HA PHE A 88 16.173 8.392 1.331 1.00 9.87 H new ATOM 0 HB2 PHE A 88 19.204 8.764 1.467 1.00 10.68 H new ATOM 0 HB3 PHE A 88 18.141 9.585 0.341 1.00 10.68 H new ATOM 0 HD1 PHE A 88 16.556 11.309 1.117 1.00 11.04 H new ATOM 0 HD2 PHE A 88 19.152 9.284 3.875 1.00 11.40 H new ATOM 0 HE1 PHE A 88 16.056 13.019 2.841 1.00 11.55 H new ATOM 0 HE2 PHE A 88 18.654 10.995 5.600 1.00 11.89 H new ATOM 0 HZ PHE A 88 17.103 12.860 5.084 1.00 11.97 H new ATOM 1464 N GLU A 89 16.448 6.498 -0.286 1.00 9.91 N ATOM 1465 CA GLU A 89 16.645 5.473 -1.349 1.00 10.34 C ATOM 1466 C GLU A 89 17.461 6.084 -2.482 1.00 10.29 C ATOM 1467 O GLU A 89 18.112 5.399 -3.246 1.00 10.13 O ATOM 1468 CB GLU A 89 15.286 5.002 -1.873 1.00 10.80 C ATOM 1469 CG GLU A 89 14.587 4.174 -0.793 1.00 11.18 C ATOM 1470 CD GLU A 89 13.227 3.699 -1.308 1.00 11.50 C ATOM 1471 OE1 GLU A 89 12.826 4.150 -2.368 1.00 11.46 O ATOM 1472 OE2 GLU A 89 12.607 2.896 -0.630 1.00 11.95 O ATOM 0 H GLU A 89 15.482 6.790 -0.140 1.00 9.91 H new ATOM 0 HA GLU A 89 17.178 4.614 -0.940 1.00 10.34 H new ATOM 0 HB2 GLU A 89 14.671 5.860 -2.145 1.00 10.80 H new ATOM 0 HB3 GLU A 89 15.418 4.406 -2.776 1.00 10.80 H new ATOM 0 HG2 GLU A 89 15.204 3.317 -0.522 1.00 11.18 H new ATOM 0 HG3 GLU A 89 14.457 4.771 0.109 1.00 11.18 H new ATOM 1479 N ASN A 90 17.434 7.379 -2.578 1.00 10.66 N ATOM 1480 CA ASN A 90 18.210 8.087 -3.640 1.00 10.92 C ATOM 1481 C ASN A 90 19.500 8.627 -3.024 1.00 10.88 C ATOM 1482 O ASN A 90 20.135 9.517 -3.557 1.00 11.22 O ATOM 1483 CB ASN A 90 17.385 9.251 -4.194 1.00 11.73 C ATOM 1484 CG ASN A 90 18.029 9.759 -5.485 1.00 12.01 C ATOM 1485 OD1 ASN A 90 19.127 9.366 -5.826 1.00 12.15 O ATOM 1486 ND2 ASN A 90 17.388 10.624 -6.224 1.00 12.32 N ATOM 0 H ASN A 90 16.901 7.990 -1.959 1.00 10.66 H new ATOM 0 HA ASN A 90 18.441 7.397 -4.451 1.00 10.92 H new ATOM 0 HB2 ASN A 90 16.362 8.927 -4.387 1.00 11.73 H new ATOM 0 HB3 ASN A 90 17.331 10.055 -3.460 1.00 11.73 H new ATOM 0 HD21 ASN A 90 17.809 10.969 -7.087 1.00 12.32 H new ATOM 0 HD22 ASN A 90 16.466 10.955 -5.939 1.00 12.32 H new ATOM 1493 N GLY A 91 19.891 8.091 -1.900 1.00 10.70 N ATOM 1494 CA GLY A 91 21.137 8.558 -1.231 1.00 10.95 C ATOM 1495 C GLY A 91 21.678 7.438 -0.341 1.00 10.92 C ATOM 1496 O GLY A 91 21.782 6.302 -0.758 1.00 11.16 O ATOM 0 H GLY A 91 19.396 7.344 -1.413 1.00 10.70 H new ATOM 0 HA2 GLY A 91 21.881 8.839 -1.976 1.00 10.95 H new ATOM 0 HA3 GLY A 91 20.933 9.447 -0.634 1.00 10.95 H new ATOM 1500 N SER A 92 22.017 7.745 0.885 1.00 10.86 N ATOM 1501 CA SER A 92 22.544 6.709 1.814 1.00 11.09 C ATOM 1502 C SER A 92 21.437 6.307 2.787 1.00 10.83 C ATOM 1503 O SER A 92 20.265 6.500 2.529 1.00 11.37 O ATOM 1504 CB SER A 92 23.729 7.281 2.596 1.00 11.62 C ATOM 1505 OG SER A 92 24.586 7.978 1.702 1.00 11.80 O ATOM 0 H SER A 92 21.949 8.682 1.283 1.00 10.86 H new ATOM 0 HA SER A 92 22.873 5.837 1.248 1.00 11.09 H new ATOM 0 HB2 SER A 92 23.374 7.953 3.377 1.00 11.62 H new ATOM 0 HB3 SER A 92 24.275 6.478 3.091 1.00 11.62 H new ATOM 0 HG SER A 92 25.346 8.348 2.199 1.00 11.80 H new ATOM 1511 N PHE A 93 21.809 5.739 3.899 1.00 10.20 N ATOM 1512 CA PHE A 93 20.802 5.298 4.914 1.00 10.20 C ATOM 1513 C PHE A 93 20.806 6.244 6.120 1.00 10.57 C ATOM 1514 O PHE A 93 19.838 6.331 6.849 1.00 10.63 O ATOM 1515 CB PHE A 93 21.146 3.878 5.373 1.00 9.65 C ATOM 1516 CG PHE A 93 22.506 3.862 6.031 1.00 9.86 C ATOM 1517 CD1 PHE A 93 23.664 3.874 5.243 1.00 10.19 C ATOM 1518 CD2 PHE A 93 22.611 3.820 7.427 1.00 10.01 C ATOM 1519 CE1 PHE A 93 24.926 3.846 5.851 1.00 10.65 C ATOM 1520 CE2 PHE A 93 23.872 3.793 8.034 1.00 10.47 C ATOM 1521 CZ PHE A 93 25.030 3.807 7.247 1.00 10.78 C ATOM 0 H PHE A 93 22.780 5.558 4.155 1.00 10.20 H new ATOM 0 HA PHE A 93 19.809 5.315 4.464 1.00 10.20 H new ATOM 0 HB2 PHE A 93 20.390 3.520 6.072 1.00 9.65 H new ATOM 0 HB3 PHE A 93 21.138 3.199 4.520 1.00 9.65 H new ATOM 0 HD1 PHE A 93 23.584 3.905 4.166 1.00 10.19 H new ATOM 0 HD2 PHE A 93 21.719 3.808 8.035 1.00 10.01 H new ATOM 0 HE1 PHE A 93 25.819 3.854 5.243 1.00 10.65 H new ATOM 0 HE2 PHE A 93 23.952 3.761 9.111 1.00 10.47 H new ATOM 0 HZ PHE A 93 26.003 3.788 7.716 1.00 10.78 H new ATOM 1531 N LEU A 94 21.883 6.947 6.349 1.00 11.03 N ATOM 1532 CA LEU A 94 21.930 7.872 7.520 1.00 11.62 C ATOM 1533 C LEU A 94 22.951 8.985 7.250 1.00 11.71 C ATOM 1534 O LEU A 94 23.708 8.927 6.301 1.00 11.98 O ATOM 1535 CB LEU A 94 22.327 7.067 8.769 1.00 12.28 C ATOM 1536 CG LEU A 94 21.841 7.769 10.051 1.00 12.70 C ATOM 1537 CD1 LEU A 94 20.359 7.464 10.307 1.00 13.06 C ATOM 1538 CD2 LEU A 94 22.661 7.277 11.247 1.00 13.12 C ATOM 0 H LEU A 94 22.729 6.922 5.779 1.00 11.03 H new ATOM 0 HA LEU A 94 20.954 8.329 7.682 1.00 11.62 H new ATOM 0 HB2 LEU A 94 21.899 6.066 8.713 1.00 12.28 H new ATOM 0 HB3 LEU A 94 23.410 6.949 8.802 1.00 12.28 H new ATOM 0 HG LEU A 94 21.967 8.844 9.924 1.00 12.70 H new ATOM 0 HD11 LEU A 94 20.035 7.969 11.217 1.00 13.06 H new ATOM 0 HD12 LEU A 94 19.764 7.817 9.465 1.00 13.06 H new ATOM 0 HD13 LEU A 94 20.223 6.389 10.421 1.00 13.06 H new ATOM 0 HD21 LEU A 94 22.316 7.774 12.154 1.00 13.12 H new ATOM 0 HD22 LEU A 94 22.537 6.199 11.355 1.00 13.12 H new ATOM 0 HD23 LEU A 94 23.714 7.507 11.085 1.00 13.12 H new TER 1550 LEU A 94