USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1057 hydrogens (6 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 116 THR OG1 : rot -173:sc= 2.22 USER MOD Set 1.2: A 121 LYS NZ :NH3+ -163:sc= 2.81 (180deg=1.05) USER MOD Set 2.1: A 107 ASN : amide:sc= 1.94 K(o=3,f=-5.1!) USER MOD Set 2.2: A 109 SER OG : rot 93:sc= 1.03 USER MOD Set 3.1: A 11 ASN : amide:sc= 0.826 K(o=2,f=-14!) USER MOD Set 3.2: A 105 LYS NZ :NH3+ -170:sc= 1.18 (180deg=0.0366) USER MOD Set 4.1: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 95 HIS : no HD1:sc= 0.82 K(o=0.82,f=-6.2!) USER MOD Set 5.1: A 60 MET CE :methyl -120:sc= -0.443 (180deg=-0.761) USER MOD Set 5.2: A 92 SER OG : rot -103:sc= 0.736 USER MOD Set 6.1: A 85 ASN : amide:sc= -1.07 K(o=-3.7,f=-7.3!) USER MOD Set 6.2: A 86 HIS : no HD1:sc= -2.58 X(o=-3.7,f=-4) USER MOD Set 7.1: A 33 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.9!) USER MOD Set 7.2: A 51 SER OG : rot -140:sc= -0.0379 USER MOD Set 8.1: A 48 TYR OH : rot 30:sc= 0.49 USER MOD Set 8.2: A 50 LYS NZ :NH3+ -168:sc= 0.586 (180deg=-0.147) USER MOD Set 9.1: A 40 SER OG : rot 76:sc= 1.62 USER MOD Set 9.2: A 132 SER OG : rot 5:sc= 0.942 USER MOD Set10.1: A 36 GLN : amide:sc= 0.244 X(o=0.9,f=0.98) USER MOD Set10.2: A 38 GLN : amide:sc= 0.659 K(o=0.9,f=-0.95!) USER MOD Set11.1: A 8 TYR OH : rot -136:sc= 0.922 USER MOD Set11.2: A 14 HIS :FLIP no HD1:sc= -0.288 F(o=-1.3,f=0.63) USER MOD Set12.1: A 5 LYS NZ :NH3+ 145:sc= -0.402! (180deg=-2.7!) USER MOD Set12.2: A 131 SER OG : rot -179:sc= 1.22 USER MOD Single : A 1 TYR N :NH3+ -133:sc= 1.08 (180deg=-0.103) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00013) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot -170:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.423 USER MOD Single : A 27 THR OG1 : rot 69:sc= -1.27! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.24) USER MOD Single : A 43 SER OG : rot -114:sc= 1.16 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 50:sc= 0.205 USER MOD Single : A 56 GLN : amide:sc= -1.83! C(o=-1.8!,f=-6!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0.939 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -46:sc= 1.2 USER MOD Single : A 70 GLN : amide:sc=-0.00963 K(o=-0.0096,f=-1.3) USER MOD Single : A 71 THR OG1 : rot 2:sc= 1.21 USER MOD Single : A 73 ASN : amide:sc= -1.88! C(o=-1.9!,f=-7.7!) USER MOD Single : A 76 CYS SG : rot 49:sc= 0.858 USER MOD Single : A 87 TYR OH : rot -164:sc= 1.23 USER MOD Single : A 88 ASN :FLIP amide:sc= 1.13 F(o=-1.7,f=1.1) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 90 TYR OH : rot 70:sc= 1.21 USER MOD Single : A 93 LYS NZ :NH3+ -130:sc= 0.964 (180deg=-0.845!) USER MOD Single : A 94 LYS NZ :NH3+ 141:sc= 2.21 (180deg=1.48) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.3 X(o=-0.3,f=-0.13) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 CYS SG : rot 22:sc= -1.11 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 1.1 (180deg=1.1) USER MOD Single : A 117 HIS : no HD1:sc= -1.33 X(o=-1.3,f=-1.5) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.501 X(o=-0.5,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 15.356 -1.552 -9.863 1.00 0.54 N ATOM 2 CA TYR A 1 14.159 -2.117 -9.187 1.00 0.51 C ATOM 3 C TYR A 1 13.845 -1.378 -7.881 1.00 0.43 C ATOM 4 O TYR A 1 12.732 -0.883 -7.698 1.00 0.59 O ATOM 5 CB TYR A 1 14.338 -3.624 -8.918 1.00 0.57 C ATOM 6 CG TYR A 1 15.635 -3.992 -8.222 1.00 0.55 C ATOM 7 CD1 TYR A 1 16.810 -4.163 -8.945 1.00 0.77 C ATOM 8 CD2 TYR A 1 15.685 -4.162 -6.843 1.00 0.53 C ATOM 9 CE1 TYR A 1 17.996 -4.492 -8.314 1.00 0.93 C ATOM 10 CE2 TYR A 1 16.868 -4.488 -6.205 1.00 0.65 C ATOM 11 CZ TYR A 1 18.022 -4.652 -6.944 1.00 0.85 C ATOM 12 OH TYR A 1 19.207 -4.968 -6.312 1.00 1.08 O ATOM 0 H1 TYR A 1 15.150 -1.410 -10.873 1.00 0.54 H new ATOM 0 H2 TYR A 1 15.602 -0.640 -9.428 1.00 0.54 H new ATOM 0 H3 TYR A 1 16.155 -2.210 -9.762 1.00 0.54 H new ATOM 0 HA TYR A 1 13.314 -1.981 -9.861 1.00 0.51 H new ATOM 0 HB2 TYR A 1 13.503 -3.973 -8.310 1.00 0.57 H new ATOM 0 HB3 TYR A 1 14.286 -4.158 -9.867 1.00 0.57 H new ATOM 0 HD1 TYR A 1 16.797 -4.037 -10.018 1.00 0.77 H new ATOM 0 HD2 TYR A 1 14.784 -4.037 -6.260 1.00 0.53 H new ATOM 0 HE1 TYR A 1 18.899 -4.623 -8.892 1.00 0.93 H new ATOM 0 HE2 TYR A 1 16.889 -4.614 -5.133 1.00 0.65 H new ATOM 0 HH TYR A 1 19.053 -5.044 -5.347 1.00 1.08 H new ATOM 24 N LYS A 2 14.823 -1.285 -6.981 1.00 0.35 N ATOM 25 CA LYS A 2 14.611 -0.616 -5.703 1.00 0.39 C ATOM 26 C LYS A 2 14.954 0.870 -5.800 1.00 0.34 C ATOM 27 O LYS A 2 15.929 1.244 -6.453 1.00 0.48 O ATOM 28 CB LYS A 2 15.435 -1.294 -4.593 1.00 0.54 C ATOM 29 CG LYS A 2 16.852 -0.749 -4.422 1.00 0.73 C ATOM 30 CD LYS A 2 17.731 -1.037 -5.631 1.00 1.05 C ATOM 31 CE LYS A 2 19.152 -0.528 -5.426 1.00 1.15 C ATOM 32 NZ LYS A 2 19.931 -1.394 -4.498 1.00 1.40 N ATOM 0 H LYS A 2 15.762 -1.662 -7.113 1.00 0.35 H new ATOM 0 HA LYS A 2 13.555 -0.701 -5.447 1.00 0.39 H new ATOM 0 HB2 LYS A 2 14.903 -1.186 -3.648 1.00 0.54 H new ATOM 0 HB3 LYS A 2 15.495 -2.362 -4.805 1.00 0.54 H new ATOM 0 HG2 LYS A 2 16.807 0.327 -4.256 1.00 0.73 H new ATOM 0 HG3 LYS A 2 17.304 -1.190 -3.534 1.00 0.73 H new ATOM 0 HD2 LYS A 2 17.752 -2.111 -5.819 1.00 1.05 H new ATOM 0 HD3 LYS A 2 17.300 -0.567 -6.515 1.00 1.05 H new ATOM 0 HE2 LYS A 2 19.661 -0.479 -6.389 1.00 1.15 H new ATOM 0 HE3 LYS A 2 19.119 0.487 -5.031 1.00 1.15 H new ATOM 0 HZ1 LYS A 2 20.896 -1.019 -4.401 1.00 1.40 H new ATOM 0 HZ2 LYS A 2 19.470 -1.407 -3.566 1.00 1.40 H new ATOM 0 HZ3 LYS A 2 19.972 -2.361 -4.878 1.00 1.40 H new ATOM 46 N LYS A 3 14.136 1.702 -5.161 1.00 0.28 N ATOM 47 CA LYS A 3 14.329 3.149 -5.148 1.00 0.26 C ATOM 48 C LYS A 3 13.209 3.815 -4.351 1.00 0.26 C ATOM 49 O LYS A 3 12.230 3.156 -3.993 1.00 0.29 O ATOM 50 CB LYS A 3 14.379 3.708 -6.576 1.00 0.30 C ATOM 51 CG LYS A 3 15.772 4.139 -7.006 1.00 0.49 C ATOM 52 CD LYS A 3 15.851 4.362 -8.507 1.00 0.55 C ATOM 53 CE LYS A 3 17.041 3.630 -9.109 1.00 0.78 C ATOM 54 NZ LYS A 3 17.177 3.884 -10.567 1.00 1.18 N ATOM 0 H LYS A 3 13.319 1.391 -4.636 1.00 0.28 H new ATOM 0 HA LYS A 3 15.283 3.368 -4.669 1.00 0.26 H new ATOM 0 HB2 LYS A 3 14.011 2.951 -7.268 1.00 0.30 H new ATOM 0 HB3 LYS A 3 13.704 4.561 -6.648 1.00 0.30 H new ATOM 0 HG2 LYS A 3 16.046 5.057 -6.486 1.00 0.49 H new ATOM 0 HG3 LYS A 3 16.496 3.379 -6.712 1.00 0.49 H new ATOM 0 HD2 LYS A 3 14.931 4.015 -8.978 1.00 0.55 H new ATOM 0 HD3 LYS A 3 15.933 5.429 -8.715 1.00 0.55 H new ATOM 0 HE2 LYS A 3 17.953 3.943 -8.601 1.00 0.78 H new ATOM 0 HE3 LYS A 3 16.932 2.559 -8.937 1.00 0.78 H new ATOM 0 HZ1 LYS A 3 18.000 3.366 -10.934 1.00 1.18 H new ATOM 0 HZ2 LYS A 3 16.318 3.562 -11.057 1.00 1.18 H new ATOM 0 HZ3 LYS A 3 17.308 4.903 -10.731 1.00 1.18 H new ATOM 68 N PRO A 4 13.349 5.116 -4.044 1.00 0.28 N ATOM 69 CA PRO A 4 12.345 5.867 -3.276 1.00 0.30 C ATOM 70 C PRO A 4 10.971 5.845 -3.943 1.00 0.27 C ATOM 71 O PRO A 4 10.710 6.593 -4.884 1.00 0.35 O ATOM 72 CB PRO A 4 12.911 7.292 -3.234 1.00 0.35 C ATOM 73 CG PRO A 4 14.371 7.128 -3.486 1.00 0.43 C ATOM 74 CD PRO A 4 14.496 5.959 -4.416 1.00 0.37 C ATOM 0 HA PRO A 4 12.183 5.438 -2.287 1.00 0.30 H new ATOM 0 HB2 PRO A 4 12.447 7.925 -3.991 1.00 0.35 H new ATOM 0 HB3 PRO A 4 12.726 7.763 -2.268 1.00 0.35 H new ATOM 0 HG2 PRO A 4 14.795 8.028 -3.931 1.00 0.43 H new ATOM 0 HG3 PRO A 4 14.910 6.947 -2.556 1.00 0.43 H new ATOM 0 HD2 PRO A 4 14.448 6.267 -5.460 1.00 0.37 H new ATOM 0 HD3 PRO A 4 15.442 5.435 -4.281 1.00 0.37 H new ATOM 82 N LYS A 5 10.106 4.967 -3.457 1.00 0.24 N ATOM 83 CA LYS A 5 8.761 4.825 -3.989 1.00 0.22 C ATOM 84 C LYS A 5 7.735 5.397 -3.009 1.00 0.25 C ATOM 85 O LYS A 5 8.032 5.596 -1.831 1.00 0.48 O ATOM 86 CB LYS A 5 8.478 3.343 -4.259 1.00 0.24 C ATOM 87 CG LYS A 5 7.210 3.078 -5.055 1.00 0.24 C ATOM 88 CD LYS A 5 7.129 1.616 -5.471 1.00 0.34 C ATOM 89 CE LYS A 5 5.888 1.321 -6.302 1.00 0.35 C ATOM 90 NZ LYS A 5 5.917 -0.051 -6.880 1.00 0.40 N ATOM 0 H LYS A 5 10.317 4.335 -2.685 1.00 0.24 H new ATOM 0 HA LYS A 5 8.682 5.382 -4.923 1.00 0.22 H new ATOM 0 HB2 LYS A 5 9.325 2.916 -4.796 1.00 0.24 H new ATOM 0 HB3 LYS A 5 8.409 2.820 -3.305 1.00 0.24 H new ATOM 0 HG2 LYS A 5 6.338 3.339 -4.456 1.00 0.24 H new ATOM 0 HG3 LYS A 5 7.191 3.714 -5.940 1.00 0.24 H new ATOM 0 HD2 LYS A 5 8.018 1.354 -6.044 1.00 0.34 H new ATOM 0 HD3 LYS A 5 7.126 0.987 -4.581 1.00 0.34 H new ATOM 0 HE2 LYS A 5 5.000 1.434 -5.680 1.00 0.35 H new ATOM 0 HE3 LYS A 5 5.808 2.052 -7.107 1.00 0.35 H new ATOM 0 HZ1 LYS A 5 4.952 -0.438 -6.904 1.00 0.40 H new ATOM 0 HZ2 LYS A 5 6.299 -0.012 -7.847 1.00 0.40 H new ATOM 0 HZ3 LYS A 5 6.521 -0.662 -6.294 1.00 0.40 H new ATOM 104 N LEU A 6 6.534 5.672 -3.504 1.00 0.22 N ATOM 105 CA LEU A 6 5.462 6.204 -2.671 1.00 0.23 C ATOM 106 C LEU A 6 4.116 5.672 -3.157 1.00 0.22 C ATOM 107 O LEU A 6 4.006 5.215 -4.296 1.00 0.25 O ATOM 108 CB LEU A 6 5.467 7.742 -2.673 1.00 0.27 C ATOM 109 CG LEU A 6 4.959 8.413 -3.954 1.00 0.32 C ATOM 110 CD1 LEU A 6 4.715 9.896 -3.718 1.00 0.45 C ATOM 111 CD2 LEU A 6 5.942 8.215 -5.095 1.00 0.50 C ATOM 0 H LEU A 6 6.277 5.535 -4.482 1.00 0.22 H new ATOM 0 HA LEU A 6 5.627 5.874 -1.645 1.00 0.23 H new ATOM 0 HB2 LEU A 6 4.858 8.089 -1.838 1.00 0.27 H new ATOM 0 HB3 LEU A 6 6.486 8.083 -2.487 1.00 0.27 H new ATOM 0 HG LEU A 6 4.015 7.944 -4.231 1.00 0.32 H new ATOM 0 HD11 LEU A 6 4.355 10.356 -4.638 1.00 0.45 H new ATOM 0 HD12 LEU A 6 3.969 10.022 -2.933 1.00 0.45 H new ATOM 0 HD13 LEU A 6 5.646 10.374 -3.414 1.00 0.45 H new ATOM 0 HD21 LEU A 6 5.559 8.700 -5.993 1.00 0.50 H new ATOM 0 HD22 LEU A 6 6.903 8.653 -4.827 1.00 0.50 H new ATOM 0 HD23 LEU A 6 6.070 7.149 -5.285 1.00 0.50 H new ATOM 123 N LEU A 7 3.106 5.731 -2.293 1.00 0.24 N ATOM 124 CA LEU A 7 1.771 5.252 -2.629 1.00 0.26 C ATOM 125 C LEU A 7 0.770 6.400 -2.559 1.00 0.22 C ATOM 126 O LEU A 7 0.252 6.719 -1.486 1.00 0.24 O ATOM 127 CB LEU A 7 1.357 4.129 -1.672 1.00 0.32 C ATOM 128 CG LEU A 7 -0.031 3.527 -1.922 1.00 0.36 C ATOM 129 CD1 LEU A 7 -0.051 2.768 -3.238 1.00 0.44 C ATOM 130 CD2 LEU A 7 -0.429 2.615 -0.771 1.00 0.46 C ATOM 0 H LEU A 7 3.189 6.109 -1.349 1.00 0.24 H new ATOM 0 HA LEU A 7 1.783 4.859 -3.645 1.00 0.26 H new ATOM 0 HB2 LEU A 7 2.097 3.331 -1.735 1.00 0.32 H new ATOM 0 HB3 LEU A 7 1.389 4.514 -0.653 1.00 0.32 H new ATOM 0 HG LEU A 7 -0.756 4.339 -1.983 1.00 0.36 H new ATOM 0 HD11 LEU A 7 -1.043 2.347 -3.400 1.00 0.44 H new ATOM 0 HD12 LEU A 7 0.192 3.448 -4.054 1.00 0.44 H new ATOM 0 HD13 LEU A 7 0.684 1.963 -3.205 1.00 0.44 H new ATOM 0 HD21 LEU A 7 -1.417 2.196 -0.964 1.00 0.46 H new ATOM 0 HD22 LEU A 7 0.297 1.807 -0.679 1.00 0.46 H new ATOM 0 HD23 LEU A 7 -0.453 3.188 0.156 1.00 0.46 H new ATOM 142 N TYR A 8 0.507 7.021 -3.700 1.00 0.22 N ATOM 143 CA TYR A 8 -0.413 8.143 -3.753 1.00 0.21 C ATOM 144 C TYR A 8 -1.833 7.672 -4.040 1.00 0.21 C ATOM 145 O TYR A 8 -2.061 6.843 -4.926 1.00 0.29 O ATOM 146 CB TYR A 8 0.034 9.146 -4.819 1.00 0.24 C ATOM 147 CG TYR A 8 -0.382 10.567 -4.520 1.00 0.28 C ATOM 148 CD1 TYR A 8 0.438 11.400 -3.772 1.00 0.46 C ATOM 149 CD2 TYR A 8 -1.592 11.074 -4.983 1.00 0.37 C ATOM 150 CE1 TYR A 8 0.068 12.696 -3.491 1.00 0.56 C ATOM 151 CE2 TYR A 8 -1.968 12.371 -4.707 1.00 0.46 C ATOM 152 CZ TYR A 8 -1.136 13.178 -3.961 1.00 0.50 C ATOM 153 OH TYR A 8 -1.507 14.471 -3.680 1.00 0.63 O ATOM 0 H TYR A 8 0.918 6.766 -4.598 1.00 0.22 H new ATOM 0 HA TYR A 8 -0.406 8.633 -2.779 1.00 0.21 H new ATOM 0 HB2 TYR A 8 1.119 9.105 -4.913 1.00 0.24 H new ATOM 0 HB3 TYR A 8 -0.380 8.849 -5.782 1.00 0.24 H new ATOM 0 HD1 TYR A 8 1.382 11.025 -3.404 1.00 0.46 H new ATOM 0 HD2 TYR A 8 -2.246 10.443 -5.567 1.00 0.37 H new ATOM 0 HE1 TYR A 8 0.716 13.331 -2.906 1.00 0.56 H new ATOM 0 HE2 TYR A 8 -2.909 12.753 -5.073 1.00 0.46 H new ATOM 0 HH TYR A 8 -2.450 14.490 -3.414 1.00 0.63 H new ATOM 163 N CYS A 9 -2.780 8.195 -3.276 1.00 0.23 N ATOM 164 CA CYS A 9 -4.185 7.856 -3.446 1.00 0.27 C ATOM 165 C CYS A 9 -4.956 9.089 -3.910 1.00 0.28 C ATOM 166 O CYS A 9 -4.979 10.112 -3.220 1.00 0.30 O ATOM 167 CB CYS A 9 -4.761 7.329 -2.130 1.00 0.30 C ATOM 168 SG CYS A 9 -3.812 5.971 -1.400 1.00 0.37 S ATOM 0 H CYS A 9 -2.598 8.862 -2.526 1.00 0.23 H new ATOM 0 HA CYS A 9 -4.279 7.075 -4.201 1.00 0.27 H new ATOM 0 HB2 CYS A 9 -4.812 8.149 -1.414 1.00 0.30 H new ATOM 0 HB3 CYS A 9 -5.783 6.992 -2.302 1.00 0.30 H new ATOM 0 HG CYS A 9 -4.482 5.455 -0.412 1.00 0.37 H new ATOM 174 N SER A 10 -5.576 9.002 -5.080 1.00 0.37 N ATOM 175 CA SER A 10 -6.328 10.126 -5.626 1.00 0.42 C ATOM 176 C SER A 10 -7.640 10.323 -4.859 1.00 0.39 C ATOM 177 O SER A 10 -8.730 10.155 -5.410 1.00 0.51 O ATOM 178 CB SER A 10 -6.592 9.911 -7.126 1.00 0.56 C ATOM 179 OG SER A 10 -6.804 11.142 -7.800 1.00 1.23 O ATOM 0 H SER A 10 -5.574 8.168 -5.668 1.00 0.37 H new ATOM 0 HA SER A 10 -5.734 11.033 -5.510 1.00 0.42 H new ATOM 0 HB2 SER A 10 -5.745 9.391 -7.574 1.00 0.56 H new ATOM 0 HB3 SER A 10 -7.464 9.270 -7.255 1.00 0.56 H new ATOM 0 HG SER A 10 -6.967 10.970 -8.751 1.00 1.23 H new ATOM 185 N ASN A 11 -7.526 10.671 -3.580 1.00 0.33 N ATOM 186 CA ASN A 11 -8.698 10.895 -2.737 1.00 0.36 C ATOM 187 C ASN A 11 -8.571 12.205 -1.958 1.00 0.35 C ATOM 188 O ASN A 11 -9.094 12.335 -0.849 1.00 0.47 O ATOM 189 CB ASN A 11 -8.897 9.721 -1.770 1.00 0.44 C ATOM 190 CG ASN A 11 -10.310 9.661 -1.209 1.00 0.55 C ATOM 191 OD1 ASN A 11 -10.513 9.652 0.007 1.00 0.63 O ATOM 192 ND2 ASN A 11 -11.303 9.606 -2.090 1.00 0.75 N ATOM 0 H ASN A 11 -6.634 10.804 -3.104 1.00 0.33 H new ATOM 0 HA ASN A 11 -9.570 10.967 -3.387 1.00 0.36 H new ATOM 0 HB2 ASN A 11 -8.675 8.787 -2.287 1.00 0.44 H new ATOM 0 HB3 ASN A 11 -8.187 9.807 -0.948 1.00 0.44 H new ATOM 0 HD21 ASN A 11 -12.269 9.554 -1.767 1.00 0.75 H new ATOM 0 HD22 ASN A 11 -11.099 9.615 -3.089 1.00 0.75 H new ATOM 199 N GLY A 12 -7.887 13.181 -2.550 1.00 0.38 N ATOM 200 CA GLY A 12 -7.706 14.466 -1.899 1.00 0.45 C ATOM 201 C GLY A 12 -6.467 14.505 -1.026 1.00 0.46 C ATOM 202 O GLY A 12 -6.218 13.582 -0.249 1.00 0.87 O ATOM 0 H GLY A 12 -7.454 13.104 -3.471 1.00 0.38 H new ATOM 0 HA2 GLY A 12 -7.638 15.247 -2.656 1.00 0.45 H new ATOM 0 HA3 GLY A 12 -8.583 14.688 -1.290 1.00 0.45 H new ATOM 206 N GLY A 13 -5.688 15.574 -1.156 1.00 0.38 N ATOM 207 CA GLY A 13 -4.475 15.719 -0.371 1.00 0.36 C ATOM 208 C GLY A 13 -3.342 14.859 -0.897 1.00 0.31 C ATOM 209 O GLY A 13 -3.359 14.440 -2.059 1.00 0.40 O ATOM 0 H GLY A 13 -5.876 16.347 -1.795 1.00 0.38 H new ATOM 0 HA2 GLY A 13 -4.166 16.764 -0.374 1.00 0.36 H new ATOM 0 HA3 GLY A 13 -4.681 15.450 0.665 1.00 0.36 H new ATOM 213 N HIS A 14 -2.351 14.604 -0.050 1.00 0.26 N ATOM 214 CA HIS A 14 -1.204 13.785 -0.427 1.00 0.24 C ATOM 215 C HIS A 14 -1.067 12.614 0.542 1.00 0.22 C ATOM 216 O HIS A 14 -1.330 12.762 1.735 1.00 0.30 O ATOM 217 CB HIS A 14 0.086 14.616 -0.426 1.00 0.28 C ATOM 218 CG HIS A 14 0.119 15.711 -1.450 1.00 0.38 C ATOM 219 ND1 HIS A 14 0.771 15.803 -2.634 1.00 0.60 N flip ATOM 220 CD2 HIS A 14 -0.553 16.902 -1.295 1.00 0.53 C flip ATOM 221 CE1 HIS A 14 0.485 17.036 -3.163 1.00 0.72 C flip ATOM 222 NE2 HIS A 14 -0.317 17.676 -2.336 1.00 0.66 N flip ATOM 0 H HIS A 14 -2.319 14.955 0.907 1.00 0.26 H new ATOM 0 HA HIS A 14 -1.367 13.406 -1.436 1.00 0.24 H new ATOM 0 HB2 HIS A 14 0.220 15.056 0.562 1.00 0.28 H new ATOM 0 HB3 HIS A 14 0.932 13.951 -0.596 1.00 0.28 H new ATOM 0 HD2 HIS A 14 -1.176 17.162 -0.452 1.00 0.53 H new ATOM 0 HE1 HIS A 14 0.856 17.419 -4.102 1.00 0.72 H new ATOM 0 HE2 HIS A 14 -0.693 18.614 -2.478 1.00 0.66 H new ATOM 231 N PHE A 15 -0.653 11.461 0.037 1.00 0.20 N ATOM 232 CA PHE A 15 -0.499 10.272 0.872 1.00 0.21 C ATOM 233 C PHE A 15 0.910 9.709 0.747 1.00 0.21 C ATOM 234 O PHE A 15 1.348 9.375 -0.354 1.00 0.23 O ATOM 235 CB PHE A 15 -1.523 9.205 0.471 1.00 0.27 C ATOM 236 CG PHE A 15 -2.952 9.639 0.649 1.00 0.29 C ATOM 237 CD1 PHE A 15 -3.578 10.415 -0.314 1.00 0.31 C ATOM 238 CD2 PHE A 15 -3.668 9.268 1.776 1.00 0.43 C ATOM 239 CE1 PHE A 15 -4.890 10.811 -0.155 1.00 0.37 C ATOM 240 CE2 PHE A 15 -4.981 9.662 1.939 1.00 0.50 C ATOM 241 CZ PHE A 15 -5.593 10.436 0.973 1.00 0.45 C ATOM 0 H PHE A 15 -0.417 11.321 -0.945 1.00 0.20 H new ATOM 0 HA PHE A 15 -0.671 10.558 1.910 1.00 0.21 H new ATOM 0 HB2 PHE A 15 -1.362 8.934 -0.573 1.00 0.27 H new ATOM 0 HB3 PHE A 15 -1.349 8.307 1.064 1.00 0.27 H new ATOM 0 HD1 PHE A 15 -3.033 10.713 -1.198 1.00 0.31 H new ATOM 0 HD2 PHE A 15 -3.194 8.664 2.535 1.00 0.43 H new ATOM 0 HE1 PHE A 15 -5.367 11.414 -0.913 1.00 0.37 H new ATOM 0 HE2 PHE A 15 -5.529 9.365 2.821 1.00 0.50 H new ATOM 0 HZ PHE A 15 -6.619 10.747 1.099 1.00 0.45 H new ATOM 251 N LEU A 16 1.624 9.632 1.870 1.00 0.20 N ATOM 252 CA LEU A 16 2.986 9.102 1.876 1.00 0.22 C ATOM 253 C LEU A 16 3.612 9.183 3.274 1.00 0.23 C ATOM 254 O LEU A 16 4.688 9.749 3.451 1.00 0.33 O ATOM 255 CB LEU A 16 3.867 9.841 0.852 1.00 0.23 C ATOM 256 CG LEU A 16 3.743 11.364 0.868 1.00 0.24 C ATOM 257 CD1 LEU A 16 5.055 12.003 1.287 1.00 0.46 C ATOM 258 CD2 LEU A 16 3.312 11.880 -0.495 1.00 0.45 C ATOM 0 H LEU A 16 1.283 9.929 2.784 1.00 0.20 H new ATOM 0 HA LEU A 16 2.929 8.051 1.592 1.00 0.22 H new ATOM 0 HB2 LEU A 16 4.908 9.575 1.033 1.00 0.23 H new ATOM 0 HB3 LEU A 16 3.616 9.482 -0.146 1.00 0.23 H new ATOM 0 HG LEU A 16 2.979 11.637 1.597 1.00 0.24 H new ATOM 0 HD11 LEU A 16 4.946 13.088 1.292 1.00 0.46 H new ATOM 0 HD12 LEU A 16 5.324 11.660 2.286 1.00 0.46 H new ATOM 0 HD13 LEU A 16 5.838 11.720 0.584 1.00 0.46 H new ATOM 0 HD21 LEU A 16 3.229 12.966 -0.463 1.00 0.45 H new ATOM 0 HD22 LEU A 16 4.052 11.594 -1.243 1.00 0.45 H new ATOM 0 HD23 LEU A 16 2.345 11.450 -0.758 1.00 0.45 H new ATOM 270 N ARG A 17 2.935 8.616 4.271 1.00 0.24 N ATOM 271 CA ARG A 17 3.456 8.619 5.637 1.00 0.26 C ATOM 272 C ARG A 17 2.976 7.392 6.408 1.00 0.22 C ATOM 273 O ARG A 17 1.884 6.879 6.157 1.00 0.29 O ATOM 274 CB ARG A 17 3.050 9.893 6.379 1.00 0.34 C ATOM 275 CG ARG A 17 3.578 9.955 7.806 1.00 0.47 C ATOM 276 CD ARG A 17 3.512 11.361 8.380 1.00 0.53 C ATOM 277 NE ARG A 17 2.145 11.785 8.672 1.00 0.54 N ATOM 278 CZ ARG A 17 1.825 12.956 9.219 1.00 0.72 C ATOM 279 NH1 ARG A 17 2.778 13.824 9.559 1.00 0.85 N ATOM 280 NH2 ARG A 17 0.552 13.264 9.430 1.00 0.86 N ATOM 0 H ARG A 17 2.033 8.153 4.161 1.00 0.24 H new ATOM 0 HA ARG A 17 4.544 8.587 5.572 1.00 0.26 H new ATOM 0 HB2 ARG A 17 3.415 10.759 5.826 1.00 0.34 H new ATOM 0 HB3 ARG A 17 1.962 9.963 6.398 1.00 0.34 H new ATOM 0 HG2 ARG A 17 2.999 9.279 8.436 1.00 0.47 H new ATOM 0 HG3 ARG A 17 4.610 9.604 7.826 1.00 0.47 H new ATOM 0 HD2 ARG A 17 4.105 11.405 9.294 1.00 0.53 H new ATOM 0 HD3 ARG A 17 3.962 12.059 7.674 1.00 0.53 H new ATOM 0 HE ARG A 17 1.387 11.143 8.442 1.00 0.54 H new ATOM 0 HH11 ARG A 17 3.759 13.593 9.400 1.00 0.85 H new ATOM 0 HH12 ARG A 17 2.526 14.719 9.978 1.00 0.85 H new ATOM 0 HH21 ARG A 17 -0.182 12.604 9.173 1.00 0.86 H new ATOM 0 HH22 ARG A 17 0.307 14.161 9.849 1.00 0.86 H new ATOM 294 N ILE A 18 3.807 6.929 7.334 1.00 0.21 N ATOM 295 CA ILE A 18 3.494 5.770 8.157 1.00 0.20 C ATOM 296 C ILE A 18 4.071 5.953 9.561 1.00 0.20 C ATOM 297 O ILE A 18 5.205 6.417 9.714 1.00 0.26 O ATOM 298 CB ILE A 18 4.054 4.464 7.536 1.00 0.26 C ATOM 299 CG1 ILE A 18 3.627 3.242 8.358 1.00 0.29 C ATOM 300 CG2 ILE A 18 5.572 4.525 7.422 1.00 0.33 C ATOM 301 CD1 ILE A 18 2.221 2.770 8.056 1.00 0.33 C ATOM 0 H ILE A 18 4.716 7.347 7.534 1.00 0.21 H new ATOM 0 HA ILE A 18 2.409 5.686 8.211 1.00 0.20 H new ATOM 0 HB ILE A 18 3.639 4.365 6.533 1.00 0.26 H new ATOM 0 HG12 ILE A 18 4.324 2.426 8.169 1.00 0.29 H new ATOM 0 HG13 ILE A 18 3.700 3.484 9.418 1.00 0.29 H new ATOM 0 HG21 ILE A 18 5.942 3.598 6.984 1.00 0.33 H new ATOM 0 HG22 ILE A 18 5.856 5.365 6.788 1.00 0.33 H new ATOM 0 HG23 ILE A 18 6.006 4.656 8.413 1.00 0.33 H new ATOM 0 HD11 ILE A 18 1.988 1.903 8.674 1.00 0.33 H new ATOM 0 HD12 ILE A 18 1.514 3.571 8.273 1.00 0.33 H new ATOM 0 HD13 ILE A 18 2.147 2.496 7.004 1.00 0.33 H new ATOM 313 N LEU A 19 3.287 5.608 10.573 1.00 0.21 N ATOM 314 CA LEU A 19 3.720 5.727 11.960 1.00 0.24 C ATOM 315 C LEU A 19 4.108 4.356 12.516 1.00 0.23 C ATOM 316 O LEU A 19 3.348 3.389 12.372 1.00 0.22 O ATOM 317 CB LEU A 19 2.617 6.351 12.823 1.00 0.30 C ATOM 318 CG LEU A 19 2.336 7.838 12.565 1.00 0.40 C ATOM 319 CD1 LEU A 19 3.635 8.637 12.507 1.00 0.54 C ATOM 320 CD2 LEU A 19 1.533 8.021 11.281 1.00 0.48 C ATOM 0 H LEU A 19 2.342 5.241 10.459 1.00 0.21 H new ATOM 0 HA LEU A 19 4.592 6.380 11.989 1.00 0.24 H new ATOM 0 HB2 LEU A 19 1.695 5.792 12.663 1.00 0.30 H new ATOM 0 HB3 LEU A 19 2.887 6.227 13.872 1.00 0.30 H new ATOM 0 HG LEU A 19 1.743 8.218 13.397 1.00 0.40 H new ATOM 0 HD11 LEU A 19 3.408 9.687 12.323 1.00 0.54 H new ATOM 0 HD12 LEU A 19 4.164 8.541 13.455 1.00 0.54 H new ATOM 0 HD13 LEU A 19 4.262 8.255 11.701 1.00 0.54 H new ATOM 0 HD21 LEU A 19 1.345 9.082 11.117 1.00 0.48 H new ATOM 0 HD22 LEU A 19 2.096 7.618 10.439 1.00 0.48 H new ATOM 0 HD23 LEU A 19 0.583 7.493 11.368 1.00 0.48 H new ATOM 332 N PRO A 20 5.289 4.262 13.159 1.00 0.29 N ATOM 333 CA PRO A 20 5.804 3.008 13.733 1.00 0.33 C ATOM 334 C PRO A 20 4.748 2.224 14.504 1.00 0.30 C ATOM 335 O PRO A 20 4.657 0.997 14.379 1.00 0.36 O ATOM 336 CB PRO A 20 6.914 3.485 14.669 1.00 0.41 C ATOM 337 CG PRO A 20 7.415 4.739 14.042 1.00 0.55 C ATOM 338 CD PRO A 20 6.225 5.382 13.383 1.00 0.38 C ATOM 0 HA PRO A 20 6.140 2.318 12.959 1.00 0.33 H new ATOM 0 HB2 PRO A 20 6.535 3.668 15.674 1.00 0.41 H new ATOM 0 HB3 PRO A 20 7.706 2.741 14.757 1.00 0.41 H new ATOM 0 HG2 PRO A 20 7.851 5.401 14.790 1.00 0.55 H new ATOM 0 HG3 PRO A 20 8.196 4.525 13.312 1.00 0.55 H new ATOM 0 HD2 PRO A 20 5.784 6.149 14.019 1.00 0.38 H new ATOM 0 HD3 PRO A 20 6.501 5.865 12.445 1.00 0.38 H new ATOM 346 N ASP A 21 3.955 2.934 15.298 1.00 0.27 N ATOM 347 CA ASP A 21 2.894 2.312 16.087 1.00 0.30 C ATOM 348 C ASP A 21 2.021 1.400 15.227 1.00 0.29 C ATOM 349 O ASP A 21 1.445 0.434 15.731 1.00 0.41 O ATOM 350 CB ASP A 21 2.024 3.379 16.757 1.00 0.36 C ATOM 351 CG ASP A 21 2.602 3.855 18.072 1.00 0.64 C ATOM 352 OD1 ASP A 21 3.459 4.762 18.057 1.00 0.95 O ATOM 353 OD2 ASP A 21 2.202 3.326 19.129 1.00 0.96 O ATOM 0 H ASP A 21 4.026 3.945 15.414 1.00 0.27 H new ATOM 0 HA ASP A 21 3.372 1.705 16.856 1.00 0.30 H new ATOM 0 HB2 ASP A 21 1.913 4.229 16.083 1.00 0.36 H new ATOM 0 HB3 ASP A 21 1.026 2.975 16.927 1.00 0.36 H new ATOM 358 N GLY A 22 1.928 1.713 13.935 1.00 0.24 N ATOM 359 CA GLY A 22 1.131 0.911 13.031 1.00 0.27 C ATOM 360 C GLY A 22 -0.018 1.698 12.440 1.00 0.27 C ATOM 361 O GLY A 22 -1.185 1.356 12.650 1.00 0.35 O ATOM 0 H GLY A 22 2.393 2.511 13.501 1.00 0.24 H new ATOM 0 HA2 GLY A 22 1.763 0.534 12.227 1.00 0.27 H new ATOM 0 HA3 GLY A 22 0.741 0.044 13.564 1.00 0.27 H new ATOM 365 N THR A 23 0.303 2.766 11.714 1.00 0.24 N ATOM 366 CA THR A 23 -0.723 3.597 11.093 1.00 0.27 C ATOM 367 C THR A 23 -0.165 4.376 9.903 1.00 0.22 C ATOM 368 O THR A 23 0.989 4.809 9.920 1.00 0.25 O ATOM 369 CB THR A 23 -1.328 4.595 12.107 1.00 0.34 C ATOM 370 OG1 THR A 23 -1.516 3.956 13.379 1.00 0.47 O ATOM 371 CG2 THR A 23 -2.664 5.132 11.609 1.00 0.43 C ATOM 0 H THR A 23 1.260 3.075 11.542 1.00 0.24 H new ATOM 0 HA THR A 23 -1.504 2.921 10.744 1.00 0.27 H new ATOM 0 HB THR A 23 -0.633 5.427 12.216 1.00 0.34 H new ATOM 0 HG1 THR A 23 -1.898 4.597 14.014 1.00 0.47 H new ATOM 0 HG21 THR A 23 -3.070 5.832 12.339 1.00 0.43 H new ATOM 0 HG22 THR A 23 -2.519 5.644 10.658 1.00 0.43 H new ATOM 0 HG23 THR A 23 -3.361 4.305 11.473 1.00 0.43 H new ATOM 379 N VAL A 24 -0.993 4.541 8.879 1.00 0.25 N ATOM 380 CA VAL A 24 -0.626 5.274 7.673 1.00 0.24 C ATOM 381 C VAL A 24 -1.570 6.467 7.511 1.00 0.28 C ATOM 382 O VAL A 24 -2.724 6.397 7.938 1.00 0.37 O ATOM 383 CB VAL A 24 -0.698 4.363 6.421 1.00 0.29 C ATOM 384 CG1 VAL A 24 -2.102 3.803 6.236 1.00 0.37 C ATOM 385 CG2 VAL A 24 -0.246 5.107 5.170 1.00 0.32 C ATOM 0 H VAL A 24 -1.942 4.169 8.861 1.00 0.25 H new ATOM 0 HA VAL A 24 0.402 5.623 7.770 1.00 0.24 H new ATOM 0 HB VAL A 24 -0.015 3.528 6.580 1.00 0.29 H new ATOM 0 HG11 VAL A 24 -2.126 3.167 5.351 1.00 0.37 H new ATOM 0 HG12 VAL A 24 -2.378 3.216 7.112 1.00 0.37 H new ATOM 0 HG13 VAL A 24 -2.808 4.624 6.112 1.00 0.37 H new ATOM 0 HG21 VAL A 24 -0.308 4.442 4.309 1.00 0.32 H new ATOM 0 HG22 VAL A 24 -0.890 5.971 5.008 1.00 0.32 H new ATOM 0 HG23 VAL A 24 0.784 5.441 5.297 1.00 0.32 H new ATOM 395 N ASP A 25 -1.093 7.561 6.926 1.00 0.28 N ATOM 396 CA ASP A 25 -1.937 8.743 6.751 1.00 0.35 C ATOM 397 C ASP A 25 -1.398 9.677 5.665 1.00 0.27 C ATOM 398 O ASP A 25 -0.424 9.356 4.972 1.00 0.26 O ATOM 399 CB ASP A 25 -2.080 9.492 8.085 1.00 0.50 C ATOM 400 CG ASP A 25 -0.999 10.533 8.315 1.00 0.53 C ATOM 401 OD1 ASP A 25 0.196 10.191 8.224 1.00 1.19 O ATOM 402 OD2 ASP A 25 -1.345 11.698 8.610 1.00 1.28 O ATOM 0 H ASP A 25 -0.142 7.656 6.569 1.00 0.28 H new ATOM 0 HA ASP A 25 -2.919 8.403 6.424 1.00 0.35 H new ATOM 0 HB2 ASP A 25 -3.055 9.979 8.116 1.00 0.50 H new ATOM 0 HB3 ASP A 25 -2.058 8.770 8.902 1.00 0.50 H new ATOM 407 N GLY A 26 -2.053 10.827 5.519 1.00 0.27 N ATOM 408 CA GLY A 26 -1.662 11.800 4.519 1.00 0.26 C ATOM 409 C GLY A 26 -0.354 12.498 4.839 1.00 0.32 C ATOM 410 O GLY A 26 0.005 12.666 6.007 1.00 0.72 O ATOM 0 H GLY A 26 -2.856 11.102 6.084 1.00 0.27 H new ATOM 0 HA2 GLY A 26 -1.573 11.302 3.553 1.00 0.26 H new ATOM 0 HA3 GLY A 26 -2.450 12.547 4.421 1.00 0.26 H new ATOM 414 N THR A 27 0.348 12.910 3.793 1.00 0.25 N ATOM 415 CA THR A 27 1.632 13.596 3.913 1.00 0.23 C ATOM 416 C THR A 27 2.117 14.016 2.522 1.00 0.23 C ATOM 417 O THR A 27 1.695 13.437 1.519 1.00 0.26 O ATOM 418 CB THR A 27 2.693 12.698 4.608 1.00 0.30 C ATOM 419 OG1 THR A 27 2.484 12.700 6.025 1.00 0.60 O ATOM 420 CG2 THR A 27 4.111 13.168 4.319 1.00 0.65 C ATOM 0 H THR A 27 0.042 12.778 2.829 1.00 0.25 H new ATOM 0 HA THR A 27 1.494 14.481 4.534 1.00 0.23 H new ATOM 0 HB THR A 27 2.576 11.691 4.209 1.00 0.30 H new ATOM 0 HG1 THR A 27 1.650 12.229 6.233 1.00 0.60 H new ATOM 0 HG21 THR A 27 4.821 12.513 4.824 1.00 0.65 H new ATOM 0 HG22 THR A 27 4.292 13.140 3.244 1.00 0.65 H new ATOM 0 HG23 THR A 27 4.237 14.188 4.682 1.00 0.65 H new ATOM 428 N ARG A 28 2.975 15.029 2.453 1.00 0.26 N ATOM 429 CA ARG A 28 3.484 15.500 1.170 1.00 0.29 C ATOM 430 C ARG A 28 5.012 15.547 1.166 1.00 0.29 C ATOM 431 O ARG A 28 5.629 16.130 2.060 1.00 0.39 O ATOM 432 CB ARG A 28 2.900 16.879 0.841 1.00 0.36 C ATOM 433 CG ARG A 28 3.271 17.967 1.838 1.00 0.44 C ATOM 434 CD ARG A 28 2.307 19.140 1.763 1.00 0.57 C ATOM 435 NE ARG A 28 1.028 18.846 2.415 1.00 0.66 N ATOM 436 CZ ARG A 28 0.717 19.215 3.663 1.00 0.85 C ATOM 437 NH1 ARG A 28 1.596 19.874 4.415 1.00 1.04 N ATOM 438 NH2 ARG A 28 -0.482 18.919 4.159 1.00 1.12 N ATOM 0 H ARG A 28 3.330 15.536 3.264 1.00 0.26 H new ATOM 0 HA ARG A 28 3.171 14.795 0.400 1.00 0.29 H new ATOM 0 HB2 ARG A 28 3.241 17.178 -0.150 1.00 0.36 H new ATOM 0 HB3 ARG A 28 1.814 16.800 0.794 1.00 0.36 H new ATOM 0 HG2 ARG A 28 3.267 17.555 2.847 1.00 0.44 H new ATOM 0 HG3 ARG A 28 4.285 18.314 1.640 1.00 0.44 H new ATOM 0 HD2 ARG A 28 2.761 20.012 2.233 1.00 0.57 H new ATOM 0 HD3 ARG A 28 2.130 19.397 0.719 1.00 0.57 H new ATOM 0 HE ARG A 28 0.330 18.327 1.883 1.00 0.66 H new ATOM 0 HH11 ARG A 28 2.517 20.102 4.041 1.00 1.04 H new ATOM 0 HH12 ARG A 28 1.348 20.150 5.365 1.00 1.04 H new ATOM 0 HH21 ARG A 28 -1.159 18.413 3.588 1.00 1.12 H new ATOM 0 HH22 ARG A 28 -0.724 19.198 5.110 1.00 1.12 H new ATOM 452 N ASP A 29 5.612 14.925 0.156 1.00 0.27 N ATOM 453 CA ASP A 29 7.067 14.881 0.023 1.00 0.29 C ATOM 454 C ASP A 29 7.452 14.571 -1.424 1.00 0.30 C ATOM 455 O ASP A 29 6.579 14.464 -2.291 1.00 0.37 O ATOM 456 CB ASP A 29 7.663 13.825 0.969 1.00 0.31 C ATOM 457 CG ASP A 29 9.064 14.174 1.446 1.00 0.39 C ATOM 458 OD1 ASP A 29 9.970 14.318 0.600 1.00 0.47 O ATOM 459 OD2 ASP A 29 9.268 14.305 2.672 1.00 0.53 O ATOM 0 H ASP A 29 5.110 14.441 -0.588 1.00 0.27 H new ATOM 0 HA ASP A 29 7.471 15.856 0.296 1.00 0.29 H new ATOM 0 HB2 ASP A 29 7.009 13.710 1.834 1.00 0.31 H new ATOM 0 HB3 ASP A 29 7.689 12.862 0.459 1.00 0.31 H new ATOM 464 N ARG A 30 8.744 14.425 -1.687 1.00 0.35 N ATOM 465 CA ARG A 30 9.224 14.137 -3.031 1.00 0.39 C ATOM 466 C ARG A 30 9.606 12.665 -3.165 1.00 0.37 C ATOM 467 O ARG A 30 10.760 12.292 -2.953 1.00 0.41 O ATOM 468 CB ARG A 30 10.418 15.033 -3.374 1.00 0.48 C ATOM 469 CG ARG A 30 10.864 14.926 -4.823 1.00 0.53 C ATOM 470 CD ARG A 30 9.774 15.385 -5.778 1.00 0.62 C ATOM 471 NE ARG A 30 10.217 15.365 -7.172 1.00 0.72 N ATOM 472 CZ ARG A 30 9.526 15.892 -8.186 1.00 0.86 C ATOM 473 NH1 ARG A 30 8.342 16.462 -7.969 1.00 1.07 N ATOM 474 NH2 ARG A 30 10.018 15.840 -9.422 1.00 1.02 N ATOM 0 H ARG A 30 9.480 14.502 -0.985 1.00 0.35 H new ATOM 0 HA ARG A 30 8.418 14.346 -3.735 1.00 0.39 H new ATOM 0 HB2 ARG A 30 10.157 16.069 -3.159 1.00 0.48 H new ATOM 0 HB3 ARG A 30 11.254 14.773 -2.725 1.00 0.48 H new ATOM 0 HG2 ARG A 30 11.759 15.529 -4.974 1.00 0.53 H new ATOM 0 HG3 ARG A 30 11.134 13.894 -5.046 1.00 0.53 H new ATOM 0 HD2 ARG A 30 8.901 14.742 -5.667 1.00 0.62 H new ATOM 0 HD3 ARG A 30 9.462 16.395 -5.512 1.00 0.62 H new ATOM 0 HE ARG A 30 11.110 14.920 -7.383 1.00 0.72 H new ATOM 0 HH11 ARG A 30 7.959 16.498 -7.024 1.00 1.07 H new ATOM 0 HH12 ARG A 30 7.819 16.863 -8.747 1.00 1.07 H new ATOM 0 HH21 ARG A 30 10.921 15.398 -9.593 1.00 1.02 H new ATOM 0 HH22 ARG A 30 9.492 16.242 -10.198 1.00 1.02 H new ATOM 488 N SER A 31 8.623 11.834 -3.502 1.00 0.44 N ATOM 489 CA SER A 31 8.843 10.400 -3.673 1.00 0.51 C ATOM 490 C SER A 31 9.481 9.784 -2.422 1.00 0.51 C ATOM 491 O SER A 31 10.390 8.957 -2.510 1.00 0.86 O ATOM 492 CB SER A 31 9.713 10.153 -4.909 1.00 0.65 C ATOM 493 OG SER A 31 9.136 10.758 -6.056 1.00 0.74 O ATOM 0 H SER A 31 7.661 12.131 -3.663 1.00 0.44 H new ATOM 0 HA SER A 31 7.878 9.915 -3.819 1.00 0.51 H new ATOM 0 HB2 SER A 31 10.712 10.555 -4.743 1.00 0.65 H new ATOM 0 HB3 SER A 31 9.824 9.081 -5.074 1.00 0.65 H new ATOM 0 HG SER A 31 9.706 10.591 -6.835 1.00 0.74 H new ATOM 499 N ASP A 32 8.979 10.195 -1.261 1.00 0.47 N ATOM 500 CA ASP A 32 9.468 9.699 0.020 1.00 0.47 C ATOM 501 C ASP A 32 8.312 9.597 1.004 1.00 0.49 C ATOM 502 O ASP A 32 7.496 10.510 1.091 1.00 1.05 O ATOM 503 CB ASP A 32 10.538 10.631 0.601 1.00 0.57 C ATOM 504 CG ASP A 32 11.930 10.355 0.064 1.00 0.73 C ATOM 505 OD1 ASP A 32 12.344 9.177 0.032 1.00 1.11 O ATOM 506 OD2 ASP A 32 12.628 11.324 -0.309 1.00 0.83 O ATOM 0 H ASP A 32 8.225 10.878 -1.182 1.00 0.47 H new ATOM 0 HA ASP A 32 9.911 8.717 -0.144 1.00 0.47 H new ATOM 0 HB2 ASP A 32 10.269 11.664 0.380 1.00 0.57 H new ATOM 0 HB3 ASP A 32 10.548 10.529 1.686 1.00 0.57 H new ATOM 511 N GLN A 33 8.233 8.486 1.726 1.00 0.35 N ATOM 512 CA GLN A 33 7.172 8.296 2.709 1.00 0.34 C ATOM 513 C GLN A 33 7.634 8.844 4.067 1.00 0.35 C ATOM 514 O GLN A 33 7.857 10.044 4.197 1.00 0.54 O ATOM 515 CB GLN A 33 6.781 6.814 2.794 1.00 0.45 C ATOM 516 CG GLN A 33 5.515 6.556 3.605 1.00 0.53 C ATOM 517 CD GLN A 33 5.377 5.105 4.028 1.00 0.71 C ATOM 518 OE1 GLN A 33 6.371 4.413 4.249 1.00 0.98 O ATOM 519 NE2 GLN A 33 4.145 4.635 4.158 1.00 0.82 N ATOM 0 H GLN A 33 8.887 7.707 1.651 1.00 0.35 H new ATOM 0 HA GLN A 33 6.282 8.846 2.403 1.00 0.34 H new ATOM 0 HB2 GLN A 33 6.640 6.427 1.785 1.00 0.45 H new ATOM 0 HB3 GLN A 33 7.605 6.255 3.237 1.00 0.45 H new ATOM 0 HG2 GLN A 33 5.521 7.190 4.492 1.00 0.53 H new ATOM 0 HG3 GLN A 33 4.645 6.842 3.014 1.00 0.53 H new ATOM 0 HE21 GLN A 33 3.346 5.239 3.966 1.00 0.82 H new ATOM 0 HE22 GLN A 33 3.996 3.669 4.450 1.00 0.82 H new ATOM 528 N HIS A 34 7.800 7.982 5.076 1.00 0.34 N ATOM 529 CA HIS A 34 8.268 8.443 6.384 1.00 0.39 C ATOM 530 C HIS A 34 9.723 8.896 6.260 1.00 0.37 C ATOM 531 O HIS A 34 10.156 9.844 6.911 1.00 0.50 O ATOM 532 CB HIS A 34 8.149 7.328 7.433 1.00 0.48 C ATOM 533 CG HIS A 34 8.278 7.811 8.848 1.00 0.63 C ATOM 534 ND1 HIS A 34 9.422 7.659 9.603 1.00 0.86 N ATOM 535 CD2 HIS A 34 7.391 8.453 9.645 1.00 0.83 C ATOM 536 CE1 HIS A 34 9.232 8.186 10.800 1.00 0.99 C ATOM 537 NE2 HIS A 34 8.006 8.673 10.852 1.00 0.95 N ATOM 0 H HIS A 34 7.621 6.980 5.014 1.00 0.34 H new ATOM 0 HA HIS A 34 7.647 9.277 6.711 1.00 0.39 H new ATOM 0 HB2 HIS A 34 7.186 6.832 7.315 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.918 6.580 7.243 1.00 0.48 H new ATOM 0 HD2 HIS A 34 6.384 8.739 9.379 1.00 0.83 H new ATOM 0 HE1 HIS A 34 9.957 8.214 11.600 1.00 0.99 H new ATOM 0 HE2 HIS A 34 7.585 9.137 11.657 1.00 0.95 H new ATOM 546 N ILE A 35 10.458 8.194 5.402 1.00 0.31 N ATOM 547 CA ILE A 35 11.861 8.486 5.132 1.00 0.34 C ATOM 548 C ILE A 35 12.189 8.088 3.693 1.00 0.33 C ATOM 549 O ILE A 35 12.742 8.874 2.929 1.00 0.40 O ATOM 550 CB ILE A 35 12.804 7.734 6.103 1.00 0.39 C ATOM 551 CG1 ILE A 35 12.515 8.136 7.554 1.00 0.42 C ATOM 552 CG2 ILE A 35 14.261 8.012 5.754 1.00 0.52 C ATOM 553 CD1 ILE A 35 13.379 7.422 8.573 1.00 0.51 C ATOM 0 H ILE A 35 10.094 7.402 4.872 1.00 0.31 H new ATOM 0 HA ILE A 35 12.017 9.555 5.278 1.00 0.34 H new ATOM 0 HB ILE A 35 12.622 6.664 5.999 1.00 0.39 H new ATOM 0 HG12 ILE A 35 12.661 9.211 7.659 1.00 0.42 H new ATOM 0 HG13 ILE A 35 11.467 7.933 7.775 1.00 0.42 H new ATOM 0 HG21 ILE A 35 14.910 7.476 6.446 1.00 0.52 H new ATOM 0 HG22 ILE A 35 14.461 7.678 4.736 1.00 0.52 H new ATOM 0 HG23 ILE A 35 14.455 9.082 5.829 1.00 0.52 H new ATOM 0 HD11 ILE A 35 13.115 7.760 9.575 1.00 0.51 H new ATOM 0 HD12 ILE A 35 13.217 6.347 8.498 1.00 0.51 H new ATOM 0 HD13 ILE A 35 14.428 7.645 8.380 1.00 0.51 H new ATOM 565 N GLN A 36 11.830 6.854 3.343 1.00 0.29 N ATOM 566 CA GLN A 36 12.048 6.314 2.006 1.00 0.30 C ATOM 567 C GLN A 36 11.303 4.986 1.888 1.00 0.30 C ATOM 568 O GLN A 36 11.442 4.128 2.754 1.00 0.64 O ATOM 569 CB GLN A 36 13.546 6.109 1.746 1.00 0.37 C ATOM 570 CG GLN A 36 13.855 5.304 0.494 1.00 0.40 C ATOM 571 CD GLN A 36 15.322 4.933 0.402 1.00 0.47 C ATOM 572 OE1 GLN A 36 16.121 5.652 -0.196 1.00 0.76 O ATOM 573 NE2 GLN A 36 15.689 3.808 0.995 1.00 0.61 N ATOM 0 H GLN A 36 11.378 6.200 3.982 1.00 0.29 H new ATOM 0 HA GLN A 36 11.672 7.016 1.262 1.00 0.30 H new ATOM 0 HB2 GLN A 36 14.026 7.084 1.666 1.00 0.37 H new ATOM 0 HB3 GLN A 36 13.988 5.606 2.606 1.00 0.37 H new ATOM 0 HG2 GLN A 36 13.251 4.397 0.489 1.00 0.40 H new ATOM 0 HG3 GLN A 36 13.571 5.881 -0.386 1.00 0.40 H new ATOM 0 HE21 GLN A 36 14.997 3.238 1.481 1.00 0.61 H new ATOM 0 HE22 GLN A 36 16.664 3.511 0.966 1.00 0.61 H new ATOM 582 N LEU A 37 10.498 4.823 0.848 1.00 0.27 N ATOM 583 CA LEU A 37 9.743 3.583 0.665 1.00 0.25 C ATOM 584 C LEU A 37 10.322 2.774 -0.488 1.00 0.22 C ATOM 585 O LEU A 37 10.585 3.320 -1.563 1.00 0.26 O ATOM 586 CB LEU A 37 8.266 3.892 0.408 1.00 0.33 C ATOM 587 CG LEU A 37 7.269 2.968 1.111 1.00 0.42 C ATOM 588 CD1 LEU A 37 5.857 3.514 0.976 1.00 0.57 C ATOM 589 CD2 LEU A 37 7.343 1.557 0.547 1.00 0.53 C ATOM 0 H LEU A 37 10.349 5.524 0.122 1.00 0.27 H new ATOM 0 HA LEU A 37 9.821 2.992 1.578 1.00 0.25 H new ATOM 0 HB2 LEU A 37 8.067 4.917 0.720 1.00 0.33 H new ATOM 0 HB3 LEU A 37 8.084 3.845 -0.666 1.00 0.33 H new ATOM 0 HG LEU A 37 7.532 2.927 2.168 1.00 0.42 H new ATOM 0 HD11 LEU A 37 5.159 2.846 1.481 1.00 0.57 H new ATOM 0 HD12 LEU A 37 5.805 4.504 1.429 1.00 0.57 H new ATOM 0 HD13 LEU A 37 5.593 3.584 -0.079 1.00 0.57 H new ATOM 0 HD21 LEU A 37 6.625 0.921 1.064 1.00 0.53 H new ATOM 0 HD22 LEU A 37 7.109 1.578 -0.517 1.00 0.53 H new ATOM 0 HD23 LEU A 37 8.348 1.160 0.690 1.00 0.53 H new ATOM 601 N GLN A 38 10.529 1.482 -0.259 1.00 0.23 N ATOM 602 CA GLN A 38 11.078 0.597 -1.276 1.00 0.27 C ATOM 603 C GLN A 38 10.110 -0.541 -1.587 1.00 0.24 C ATOM 604 O GLN A 38 9.409 -1.036 -0.701 1.00 0.32 O ATOM 605 CB GLN A 38 12.420 0.032 -0.811 1.00 0.38 C ATOM 606 CG GLN A 38 13.537 1.063 -0.782 1.00 0.51 C ATOM 607 CD GLN A 38 14.590 0.756 0.266 1.00 0.62 C ATOM 608 OE1 GLN A 38 14.287 0.215 1.327 1.00 1.05 O ATOM 609 NE2 GLN A 38 15.837 1.096 -0.024 1.00 0.75 N ATOM 0 H GLN A 38 10.323 1.023 0.628 1.00 0.23 H new ATOM 0 HA GLN A 38 11.230 1.176 -2.187 1.00 0.27 H new ATOM 0 HB2 GLN A 38 12.301 -0.390 0.187 1.00 0.38 H new ATOM 0 HB3 GLN A 38 12.709 -0.786 -1.471 1.00 0.38 H new ATOM 0 HG2 GLN A 38 14.009 1.109 -1.763 1.00 0.51 H new ATOM 0 HG3 GLN A 38 13.112 2.048 -0.587 1.00 0.51 H new ATOM 0 HE21 GLN A 38 16.049 1.544 -0.916 1.00 0.75 H new ATOM 0 HE22 GLN A 38 16.585 0.910 0.644 1.00 0.75 H new ATOM 618 N LEU A 39 10.078 -0.946 -2.852 1.00 0.24 N ATOM 619 CA LEU A 39 9.208 -2.026 -3.301 1.00 0.24 C ATOM 620 C LEU A 39 9.836 -2.734 -4.499 1.00 0.26 C ATOM 621 O LEU A 39 9.924 -2.159 -5.587 1.00 0.34 O ATOM 622 CB LEU A 39 7.822 -1.472 -3.665 1.00 0.26 C ATOM 623 CG LEU A 39 6.766 -2.520 -4.034 1.00 0.34 C ATOM 624 CD1 LEU A 39 5.373 -1.908 -3.999 1.00 0.38 C ATOM 625 CD2 LEU A 39 7.054 -3.111 -5.408 1.00 0.41 C ATOM 0 H LEU A 39 10.651 -0.538 -3.591 1.00 0.24 H new ATOM 0 HA LEU A 39 9.088 -2.748 -2.493 1.00 0.24 H new ATOM 0 HB2 LEU A 39 7.451 -0.889 -2.822 1.00 0.26 H new ATOM 0 HB3 LEU A 39 7.934 -0.784 -4.503 1.00 0.26 H new ATOM 0 HG LEU A 39 6.809 -3.324 -3.299 1.00 0.34 H new ATOM 0 HD11 LEU A 39 4.636 -2.666 -4.264 1.00 0.38 H new ATOM 0 HD12 LEU A 39 5.165 -1.534 -2.997 1.00 0.38 H new ATOM 0 HD13 LEU A 39 5.319 -1.085 -4.712 1.00 0.38 H new ATOM 0 HD21 LEU A 39 6.293 -3.853 -5.652 1.00 0.41 H new ATOM 0 HD22 LEU A 39 7.040 -2.318 -6.155 1.00 0.41 H new ATOM 0 HD23 LEU A 39 8.035 -3.586 -5.401 1.00 0.41 H new ATOM 637 N SER A 40 10.290 -3.967 -4.294 1.00 0.25 N ATOM 638 CA SER A 40 10.915 -4.738 -5.364 1.00 0.28 C ATOM 639 C SER A 40 11.515 -6.038 -4.832 1.00 0.29 C ATOM 640 O SER A 40 11.359 -6.365 -3.652 1.00 0.38 O ATOM 641 CB SER A 40 12.005 -3.901 -6.047 1.00 0.36 C ATOM 642 OG SER A 40 11.513 -3.295 -7.229 1.00 0.55 O ATOM 0 H SER A 40 10.237 -4.453 -3.399 1.00 0.25 H new ATOM 0 HA SER A 40 10.144 -4.992 -6.091 1.00 0.28 H new ATOM 0 HB2 SER A 40 12.362 -3.132 -5.361 1.00 0.36 H new ATOM 0 HB3 SER A 40 12.859 -4.535 -6.287 1.00 0.36 H new ATOM 0 HG SER A 40 10.940 -2.536 -6.993 1.00 0.55 H new ATOM 648 N ALA A 41 12.178 -6.780 -5.725 1.00 0.33 N ATOM 649 CA ALA A 41 12.835 -8.038 -5.378 1.00 0.37 C ATOM 650 C ALA A 41 11.820 -9.167 -5.201 1.00 0.36 C ATOM 651 O ALA A 41 11.747 -9.793 -4.144 1.00 0.76 O ATOM 652 CB ALA A 41 13.700 -7.873 -4.129 1.00 0.46 C ATOM 0 H ALA A 41 12.273 -6.523 -6.708 1.00 0.33 H new ATOM 0 HA ALA A 41 13.488 -8.312 -6.207 1.00 0.37 H new ATOM 0 HB1 ALA A 41 14.179 -8.823 -3.890 1.00 0.46 H new ATOM 0 HB2 ALA A 41 14.464 -7.117 -4.313 1.00 0.46 H new ATOM 0 HB3 ALA A 41 13.075 -7.561 -3.292 1.00 0.46 H new ATOM 658 N GLU A 42 11.045 -9.418 -6.253 1.00 0.35 N ATOM 659 CA GLU A 42 10.031 -10.469 -6.252 1.00 0.30 C ATOM 660 C GLU A 42 9.738 -10.908 -7.684 1.00 0.33 C ATOM 661 O GLU A 42 10.315 -10.364 -8.629 1.00 0.51 O ATOM 662 CB GLU A 42 8.749 -9.983 -5.570 1.00 0.32 C ATOM 663 CG GLU A 42 8.753 -10.151 -4.055 1.00 0.54 C ATOM 664 CD GLU A 42 8.859 -11.603 -3.625 1.00 0.76 C ATOM 665 OE1 GLU A 42 9.987 -12.137 -3.575 1.00 1.05 O ATOM 666 OE2 GLU A 42 7.821 -12.222 -3.330 1.00 1.01 O ATOM 0 H GLU A 42 11.102 -8.899 -7.129 1.00 0.35 H new ATOM 0 HA GLU A 42 10.412 -11.322 -5.690 1.00 0.30 H new ATOM 0 HB2 GLU A 42 8.599 -8.930 -5.808 1.00 0.32 H new ATOM 0 HB3 GLU A 42 7.900 -10.527 -5.984 1.00 0.32 H new ATOM 0 HG2 GLU A 42 9.587 -9.590 -3.634 1.00 0.54 H new ATOM 0 HG3 GLU A 42 7.840 -9.721 -3.644 1.00 0.54 H new ATOM 673 N SER A 43 8.847 -11.880 -7.848 1.00 0.31 N ATOM 674 CA SER A 43 8.511 -12.385 -9.175 1.00 0.38 C ATOM 675 C SER A 43 7.454 -11.506 -9.850 1.00 0.34 C ATOM 676 O SER A 43 7.060 -10.470 -9.309 1.00 0.61 O ATOM 677 CB SER A 43 8.026 -13.838 -9.081 1.00 0.52 C ATOM 678 OG SER A 43 6.773 -13.927 -8.422 1.00 1.04 O ATOM 0 H SER A 43 8.346 -12.332 -7.083 1.00 0.31 H new ATOM 0 HA SER A 43 9.411 -12.354 -9.790 1.00 0.38 H new ATOM 0 HB2 SER A 43 7.942 -14.260 -10.082 1.00 0.52 H new ATOM 0 HB3 SER A 43 8.764 -14.435 -8.544 1.00 0.52 H new ATOM 0 HG SER A 43 6.882 -14.408 -7.575 1.00 1.04 H new ATOM 684 N VAL A 44 6.996 -11.922 -11.029 1.00 0.39 N ATOM 685 CA VAL A 44 5.993 -11.176 -11.778 1.00 0.39 C ATOM 686 C VAL A 44 4.724 -10.949 -10.950 1.00 0.36 C ATOM 687 O VAL A 44 4.003 -11.894 -10.615 1.00 0.59 O ATOM 688 CB VAL A 44 5.633 -11.889 -13.106 1.00 0.52 C ATOM 689 CG1 VAL A 44 5.120 -13.305 -12.855 1.00 0.60 C ATOM 690 CG2 VAL A 44 4.620 -11.072 -13.903 1.00 0.58 C ATOM 0 H VAL A 44 7.308 -12.778 -11.487 1.00 0.39 H new ATOM 0 HA VAL A 44 6.431 -10.206 -12.011 1.00 0.39 H new ATOM 0 HB VAL A 44 6.544 -11.970 -13.699 1.00 0.52 H new ATOM 0 HG11 VAL A 44 4.876 -13.778 -13.806 1.00 0.60 H new ATOM 0 HG12 VAL A 44 5.890 -13.886 -12.348 1.00 0.60 H new ATOM 0 HG13 VAL A 44 4.227 -13.263 -12.231 1.00 0.60 H new ATOM 0 HG21 VAL A 44 4.382 -11.592 -14.831 1.00 0.58 H new ATOM 0 HG22 VAL A 44 3.711 -10.946 -13.315 1.00 0.58 H new ATOM 0 HG23 VAL A 44 5.042 -10.094 -14.133 1.00 0.58 H new ATOM 700 N GLY A 45 4.476 -9.695 -10.601 1.00 0.32 N ATOM 701 CA GLY A 45 3.295 -9.348 -9.831 1.00 0.33 C ATOM 702 C GLY A 45 3.574 -9.263 -8.342 1.00 0.28 C ATOM 703 O GLY A 45 3.151 -8.313 -7.677 1.00 0.33 O ATOM 0 H GLY A 45 5.076 -8.905 -10.839 1.00 0.32 H new ATOM 0 HA2 GLY A 45 2.907 -8.391 -10.179 1.00 0.33 H new ATOM 0 HA3 GLY A 45 2.518 -10.091 -10.010 1.00 0.33 H new ATOM 707 N GLU A 46 4.278 -10.262 -7.814 1.00 0.27 N ATOM 708 CA GLU A 46 4.615 -10.289 -6.396 1.00 0.28 C ATOM 709 C GLU A 46 5.538 -9.124 -6.072 1.00 0.24 C ATOM 710 O GLU A 46 6.487 -8.857 -6.810 1.00 0.31 O ATOM 711 CB GLU A 46 5.284 -11.615 -6.023 1.00 0.39 C ATOM 712 CG GLU A 46 4.455 -12.838 -6.385 1.00 0.51 C ATOM 713 CD GLU A 46 5.070 -14.136 -5.899 1.00 0.64 C ATOM 714 OE1 GLU A 46 6.316 -14.267 -5.930 1.00 0.86 O ATOM 715 OE2 GLU A 46 4.313 -15.038 -5.492 1.00 0.82 O ATOM 0 H GLU A 46 4.624 -11.060 -8.346 1.00 0.27 H new ATOM 0 HA GLU A 46 3.698 -10.197 -5.814 1.00 0.28 H new ATOM 0 HB2 GLU A 46 6.249 -11.679 -6.525 1.00 0.39 H new ATOM 0 HB3 GLU A 46 5.481 -11.624 -4.951 1.00 0.39 H new ATOM 0 HG2 GLU A 46 3.457 -12.733 -5.959 1.00 0.51 H new ATOM 0 HG3 GLU A 46 4.336 -12.882 -7.468 1.00 0.51 H new ATOM 722 N VAL A 47 5.263 -8.424 -4.982 1.00 0.22 N ATOM 723 CA VAL A 47 6.081 -7.285 -4.606 1.00 0.25 C ATOM 724 C VAL A 47 6.311 -7.215 -3.100 1.00 0.23 C ATOM 725 O VAL A 47 5.385 -7.403 -2.306 1.00 0.29 O ATOM 726 CB VAL A 47 5.454 -5.959 -5.085 1.00 0.32 C ATOM 727 CG1 VAL A 47 5.462 -5.879 -6.606 1.00 0.35 C ATOM 728 CG2 VAL A 47 4.039 -5.801 -4.542 1.00 0.35 C ATOM 0 H VAL A 47 4.488 -8.623 -4.349 1.00 0.22 H new ATOM 0 HA VAL A 47 7.044 -7.427 -5.097 1.00 0.25 H new ATOM 0 HB VAL A 47 6.058 -5.138 -4.698 1.00 0.32 H new ATOM 0 HG11 VAL A 47 5.016 -4.937 -6.923 1.00 0.35 H new ATOM 0 HG12 VAL A 47 6.489 -5.934 -6.968 1.00 0.35 H new ATOM 0 HG13 VAL A 47 4.887 -6.709 -7.017 1.00 0.35 H new ATOM 0 HG21 VAL A 47 3.618 -4.859 -4.893 1.00 0.35 H new ATOM 0 HG22 VAL A 47 3.421 -6.628 -4.892 1.00 0.35 H new ATOM 0 HG23 VAL A 47 4.065 -5.803 -3.452 1.00 0.35 H new ATOM 738 N TYR A 48 7.558 -6.961 -2.725 1.00 0.22 N ATOM 739 CA TYR A 48 7.945 -6.825 -1.328 1.00 0.22 C ATOM 740 C TYR A 48 8.083 -5.342 -0.999 1.00 0.22 C ATOM 741 O TYR A 48 8.923 -4.647 -1.580 1.00 0.29 O ATOM 742 CB TYR A 48 9.261 -7.564 -1.067 1.00 0.25 C ATOM 743 CG TYR A 48 9.836 -7.345 0.317 1.00 0.35 C ATOM 744 CD1 TYR A 48 9.309 -8.004 1.421 1.00 0.49 C ATOM 745 CD2 TYR A 48 10.914 -6.492 0.516 1.00 0.58 C ATOM 746 CE1 TYR A 48 9.841 -7.818 2.685 1.00 0.66 C ATOM 747 CE2 TYR A 48 11.449 -6.300 1.774 1.00 0.74 C ATOM 748 CZ TYR A 48 10.912 -6.964 2.855 1.00 0.72 C ATOM 749 OH TYR A 48 11.455 -6.777 4.112 1.00 0.92 O ATOM 0 H TYR A 48 8.330 -6.844 -3.382 1.00 0.22 H new ATOM 0 HA TYR A 48 7.182 -7.267 -0.688 1.00 0.22 H new ATOM 0 HB2 TYR A 48 9.100 -8.632 -1.216 1.00 0.25 H new ATOM 0 HB3 TYR A 48 9.995 -7.246 -1.807 1.00 0.25 H new ATOM 0 HD1 TYR A 48 8.471 -8.672 1.291 1.00 0.49 H new ATOM 0 HD2 TYR A 48 11.341 -5.970 -0.328 1.00 0.58 H new ATOM 0 HE1 TYR A 48 9.421 -8.338 3.533 1.00 0.66 H new ATOM 0 HE2 TYR A 48 12.286 -5.631 1.910 1.00 0.74 H new ATOM 0 HH TYR A 48 11.339 -7.592 4.643 1.00 0.92 H new ATOM 759 N ILE A 49 7.244 -4.859 -0.091 1.00 0.21 N ATOM 760 CA ILE A 49 7.250 -3.450 0.289 1.00 0.22 C ATOM 761 C ILE A 49 8.082 -3.211 1.547 1.00 0.23 C ATOM 762 O ILE A 49 7.965 -3.942 2.532 1.00 0.37 O ATOM 763 CB ILE A 49 5.816 -2.926 0.531 1.00 0.26 C ATOM 764 CG1 ILE A 49 4.893 -3.331 -0.626 1.00 0.31 C ATOM 765 CG2 ILE A 49 5.830 -1.411 0.702 1.00 0.30 C ATOM 766 CD1 ILE A 49 3.442 -2.958 -0.406 1.00 0.38 C ATOM 0 H ILE A 49 6.549 -5.423 0.398 1.00 0.21 H new ATOM 0 HA ILE A 49 7.697 -2.907 -0.543 1.00 0.22 H new ATOM 0 HB ILE A 49 5.431 -3.374 1.447 1.00 0.26 H new ATOM 0 HG12 ILE A 49 5.245 -2.858 -1.543 1.00 0.31 H new ATOM 0 HG13 ILE A 49 4.963 -4.408 -0.775 1.00 0.31 H new ATOM 0 HG21 ILE A 49 4.814 -1.055 0.872 1.00 0.30 H new ATOM 0 HG22 ILE A 49 6.455 -1.147 1.555 1.00 0.30 H new ATOM 0 HG23 ILE A 49 6.232 -0.947 -0.199 1.00 0.30 H new ATOM 0 HD11 ILE A 49 2.850 -3.276 -1.265 1.00 0.38 H new ATOM 0 HD12 ILE A 49 3.072 -3.452 0.492 1.00 0.38 H new ATOM 0 HD13 ILE A 49 3.358 -1.878 -0.287 1.00 0.38 H new ATOM 778 N LYS A 50 8.921 -2.180 1.511 1.00 0.21 N ATOM 779 CA LYS A 50 9.764 -1.834 2.645 1.00 0.25 C ATOM 780 C LYS A 50 9.708 -0.334 2.921 1.00 0.21 C ATOM 781 O LYS A 50 10.027 0.483 2.053 1.00 0.26 O ATOM 782 CB LYS A 50 11.211 -2.269 2.395 1.00 0.34 C ATOM 783 CG LYS A 50 12.158 -1.920 3.534 1.00 0.49 C ATOM 784 CD LYS A 50 11.635 -2.413 4.880 1.00 0.73 C ATOM 785 CE LYS A 50 11.474 -3.927 4.911 1.00 1.35 C ATOM 786 NZ LYS A 50 12.749 -4.640 4.628 1.00 1.74 N ATOM 0 H LYS A 50 9.034 -1.568 0.703 1.00 0.21 H new ATOM 0 HA LYS A 50 9.387 -2.363 3.520 1.00 0.25 H new ATOM 0 HB2 LYS A 50 11.234 -3.346 2.231 1.00 0.34 H new ATOM 0 HB3 LYS A 50 11.569 -1.800 1.479 1.00 0.34 H new ATOM 0 HG2 LYS A 50 13.136 -2.361 3.341 1.00 0.49 H new ATOM 0 HG3 LYS A 50 12.297 -0.840 3.572 1.00 0.49 H new ATOM 0 HD2 LYS A 50 12.320 -2.105 5.670 1.00 0.73 H new ATOM 0 HD3 LYS A 50 10.675 -1.942 5.090 1.00 0.73 H new ATOM 0 HE2 LYS A 50 11.101 -4.230 5.889 1.00 1.35 H new ATOM 0 HE3 LYS A 50 10.724 -4.225 4.178 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 12.553 -5.647 4.459 1.00 1.74 H new ATOM 0 HZ2 LYS A 50 13.197 -4.228 3.785 1.00 1.74 H new ATOM 0 HZ3 LYS A 50 13.389 -4.543 5.442 1.00 1.74 H new ATOM 800 N SER A 51 9.288 0.020 4.127 1.00 0.24 N ATOM 801 CA SER A 51 9.192 1.411 4.528 1.00 0.25 C ATOM 802 C SER A 51 10.426 1.813 5.334 1.00 0.25 C ATOM 803 O SER A 51 10.703 1.232 6.383 1.00 0.33 O ATOM 804 CB SER A 51 7.919 1.631 5.349 1.00 0.32 C ATOM 805 OG SER A 51 6.790 1.068 4.697 1.00 0.53 O ATOM 0 H SER A 51 9.007 -0.645 4.848 1.00 0.24 H new ATOM 0 HA SER A 51 9.144 2.036 3.636 1.00 0.25 H new ATOM 0 HB2 SER A 51 8.036 1.182 6.335 1.00 0.32 H new ATOM 0 HB3 SER A 51 7.760 2.699 5.502 1.00 0.32 H new ATOM 0 HG SER A 51 6.022 1.668 4.797 1.00 0.53 H new ATOM 811 N THR A 52 11.174 2.788 4.822 1.00 0.24 N ATOM 812 CA THR A 52 12.378 3.279 5.481 1.00 0.28 C ATOM 813 C THR A 52 13.529 2.288 5.317 1.00 0.28 C ATOM 814 O THR A 52 13.408 1.117 5.686 1.00 0.34 O ATOM 815 CB THR A 52 12.136 3.560 6.981 1.00 0.32 C ATOM 816 OG1 THR A 52 11.044 4.480 7.137 1.00 0.35 O ATOM 817 CG2 THR A 52 13.382 4.133 7.639 1.00 0.38 C ATOM 0 H THR A 52 10.962 3.257 3.942 1.00 0.24 H new ATOM 0 HA THR A 52 12.646 4.219 5.000 1.00 0.28 H new ATOM 0 HB THR A 52 11.892 2.615 7.467 1.00 0.32 H new ATOM 0 HG1 THR A 52 10.895 4.652 8.090 1.00 0.35 H new ATOM 0 HG21 THR A 52 13.183 4.321 8.694 1.00 0.38 H new ATOM 0 HG22 THR A 52 14.203 3.422 7.546 1.00 0.38 H new ATOM 0 HG23 THR A 52 13.655 5.068 7.149 1.00 0.38 H new ATOM 825 N GLU A 53 14.642 2.776 4.756 1.00 0.31 N ATOM 826 CA GLU A 53 15.837 1.954 4.531 1.00 0.35 C ATOM 827 C GLU A 53 16.018 0.946 5.665 1.00 0.31 C ATOM 828 O GLU A 53 16.233 -0.242 5.432 1.00 0.37 O ATOM 829 CB GLU A 53 17.075 2.852 4.437 1.00 0.43 C ATOM 830 CG GLU A 53 18.269 2.201 3.757 1.00 0.47 C ATOM 831 CD GLU A 53 18.107 2.136 2.254 1.00 0.57 C ATOM 832 OE1 GLU A 53 18.263 3.185 1.592 1.00 0.73 O ATOM 833 OE2 GLU A 53 17.809 1.049 1.727 1.00 0.74 O ATOM 0 H GLU A 53 14.740 3.743 4.448 1.00 0.31 H new ATOM 0 HA GLU A 53 15.711 1.409 3.596 1.00 0.35 H new ATOM 0 HB2 GLU A 53 16.811 3.759 3.893 1.00 0.43 H new ATOM 0 HB3 GLU A 53 17.366 3.157 5.442 1.00 0.43 H new ATOM 0 HG2 GLU A 53 19.172 2.761 3.999 1.00 0.47 H new ATOM 0 HG3 GLU A 53 18.404 1.193 4.150 1.00 0.47 H new ATOM 840 N THR A 54 15.923 1.444 6.891 1.00 0.28 N ATOM 841 CA THR A 54 16.050 0.623 8.083 1.00 0.31 C ATOM 842 C THR A 54 15.252 1.250 9.225 1.00 0.33 C ATOM 843 O THR A 54 15.716 2.206 9.851 1.00 0.52 O ATOM 844 CB THR A 54 17.526 0.486 8.511 1.00 0.40 C ATOM 845 OG1 THR A 54 18.172 1.765 8.427 1.00 0.63 O ATOM 846 CG2 THR A 54 18.266 -0.523 7.641 1.00 0.68 C ATOM 0 H THR A 54 15.755 2.431 7.085 1.00 0.28 H new ATOM 0 HA THR A 54 15.662 -0.369 7.854 1.00 0.31 H new ATOM 0 HB THR A 54 17.550 0.126 9.539 1.00 0.40 H new ATOM 0 HG1 THR A 54 17.632 2.436 8.895 1.00 0.63 H new ATOM 0 HG21 THR A 54 19.303 -0.595 7.969 1.00 0.68 H new ATOM 0 HG22 THR A 54 17.789 -1.499 7.729 1.00 0.68 H new ATOM 0 HG23 THR A 54 18.237 -0.198 6.601 1.00 0.68 H new ATOM 854 N GLY A 55 14.044 0.745 9.470 1.00 0.39 N ATOM 855 CA GLY A 55 13.233 1.295 10.543 1.00 0.44 C ATOM 856 C GLY A 55 11.799 0.784 10.560 1.00 0.42 C ATOM 857 O GLY A 55 11.253 0.520 11.636 1.00 0.76 O ATOM 0 H GLY A 55 13.618 -0.024 8.953 1.00 0.39 H new ATOM 0 HA2 GLY A 55 13.703 1.059 11.498 1.00 0.44 H new ATOM 0 HA3 GLY A 55 13.220 2.381 10.454 1.00 0.44 H new ATOM 861 N GLN A 56 11.178 0.648 9.390 1.00 0.34 N ATOM 862 CA GLN A 56 9.794 0.183 9.320 1.00 0.30 C ATOM 863 C GLN A 56 9.669 -1.097 8.497 1.00 0.27 C ATOM 864 O GLN A 56 10.568 -1.458 7.735 1.00 0.38 O ATOM 865 CB GLN A 56 8.888 1.279 8.748 1.00 0.37 C ATOM 866 CG GLN A 56 8.699 2.457 9.685 1.00 0.49 C ATOM 867 CD GLN A 56 7.887 2.102 10.914 1.00 0.76 C ATOM 868 OE1 GLN A 56 6.668 2.257 10.931 1.00 1.02 O ATOM 869 NE2 GLN A 56 8.556 1.615 11.953 1.00 0.89 N ATOM 0 H GLN A 56 11.605 0.851 8.486 1.00 0.34 H new ATOM 0 HA GLN A 56 9.472 -0.046 10.336 1.00 0.30 H new ATOM 0 HB2 GLN A 56 9.311 1.636 7.809 1.00 0.37 H new ATOM 0 HB3 GLN A 56 7.913 0.849 8.516 1.00 0.37 H new ATOM 0 HG2 GLN A 56 9.675 2.830 9.995 1.00 0.49 H new ATOM 0 HG3 GLN A 56 8.204 3.267 9.149 1.00 0.49 H new ATOM 0 HE21 GLN A 56 9.568 1.501 11.900 1.00 0.89 H new ATOM 0 HE22 GLN A 56 8.057 1.355 12.804 1.00 0.89 H new ATOM 878 N TYR A 57 8.541 -1.773 8.667 1.00 0.24 N ATOM 879 CA TYR A 57 8.253 -3.020 7.979 1.00 0.23 C ATOM 880 C TYR A 57 6.787 -3.041 7.554 1.00 0.25 C ATOM 881 O TYR A 57 5.895 -3.223 8.384 1.00 0.42 O ATOM 882 CB TYR A 57 8.561 -4.198 8.908 1.00 0.26 C ATOM 883 CG TYR A 57 8.447 -5.568 8.269 1.00 0.35 C ATOM 884 CD1 TYR A 57 7.207 -6.160 8.052 1.00 0.54 C ATOM 885 CD2 TYR A 57 9.586 -6.280 7.910 1.00 0.53 C ATOM 886 CE1 TYR A 57 7.107 -7.419 7.491 1.00 0.73 C ATOM 887 CE2 TYR A 57 9.493 -7.543 7.356 1.00 0.73 C ATOM 888 CZ TYR A 57 8.253 -8.107 7.147 1.00 0.79 C ATOM 889 OH TYR A 57 8.163 -9.374 6.612 1.00 1.03 O ATOM 0 H TYR A 57 7.795 -1.467 9.292 1.00 0.24 H new ATOM 0 HA TYR A 57 8.876 -3.104 7.089 1.00 0.23 H new ATOM 0 HB2 TYR A 57 9.572 -4.079 9.297 1.00 0.26 H new ATOM 0 HB3 TYR A 57 7.884 -4.155 9.761 1.00 0.26 H new ATOM 0 HD1 TYR A 57 6.308 -5.627 8.326 1.00 0.54 H new ATOM 0 HD2 TYR A 57 10.559 -5.839 8.067 1.00 0.53 H new ATOM 0 HE1 TYR A 57 6.137 -7.862 7.323 1.00 0.73 H new ATOM 0 HE2 TYR A 57 10.388 -8.085 7.088 1.00 0.73 H new ATOM 0 HH TYR A 57 9.063 -9.715 6.426 1.00 1.03 H new ATOM 899 N LEU A 58 6.543 -2.828 6.267 1.00 0.20 N ATOM 900 CA LEU A 58 5.184 -2.813 5.737 1.00 0.22 C ATOM 901 C LEU A 58 4.536 -4.186 5.887 1.00 0.23 C ATOM 902 O LEU A 58 4.925 -5.146 5.213 1.00 0.30 O ATOM 903 CB LEU A 58 5.186 -2.389 4.261 1.00 0.27 C ATOM 904 CG LEU A 58 3.888 -1.749 3.754 1.00 0.32 C ATOM 905 CD1 LEU A 58 2.711 -2.699 3.928 1.00 0.39 C ATOM 906 CD2 LEU A 58 3.627 -0.431 4.473 1.00 0.38 C ATOM 0 H LEU A 58 7.269 -2.663 5.570 1.00 0.20 H new ATOM 0 HA LEU A 58 4.603 -2.088 6.308 1.00 0.22 H new ATOM 0 HB2 LEU A 58 6.003 -1.684 4.105 1.00 0.27 H new ATOM 0 HB3 LEU A 58 5.401 -3.266 3.650 1.00 0.27 H new ATOM 0 HG LEU A 58 4.002 -1.544 2.689 1.00 0.32 H new ATOM 0 HD11 LEU A 58 1.802 -2.223 3.561 1.00 0.39 H new ATOM 0 HD12 LEU A 58 2.895 -3.613 3.364 1.00 0.39 H new ATOM 0 HD13 LEU A 58 2.593 -2.942 4.984 1.00 0.39 H new ATOM 0 HD21 LEU A 58 2.702 0.009 4.101 1.00 0.38 H new ATOM 0 HD22 LEU A 58 3.537 -0.612 5.544 1.00 0.38 H new ATOM 0 HD23 LEU A 58 4.455 0.254 4.289 1.00 0.38 H new ATOM 918 N ALA A 59 3.559 -4.276 6.778 1.00 0.23 N ATOM 919 CA ALA A 59 2.850 -5.522 7.021 1.00 0.27 C ATOM 920 C ALA A 59 1.347 -5.282 7.112 1.00 0.24 C ATOM 921 O ALA A 59 0.891 -4.366 7.808 1.00 0.26 O ATOM 922 CB ALA A 59 3.359 -6.181 8.293 1.00 0.35 C ATOM 0 H ALA A 59 3.238 -3.494 7.348 1.00 0.23 H new ATOM 0 HA ALA A 59 3.038 -6.191 6.181 1.00 0.27 H new ATOM 0 HB1 ALA A 59 2.819 -7.113 8.461 1.00 0.35 H new ATOM 0 HB2 ALA A 59 4.424 -6.392 8.192 1.00 0.35 H new ATOM 0 HB3 ALA A 59 3.200 -5.511 9.138 1.00 0.35 H new ATOM 928 N MET A 60 0.577 -6.098 6.404 1.00 0.28 N ATOM 929 CA MET A 60 -0.874 -5.968 6.415 1.00 0.30 C ATOM 930 C MET A 60 -1.468 -6.782 7.556 1.00 0.26 C ATOM 931 O MET A 60 -0.871 -7.764 8.007 1.00 0.44 O ATOM 932 CB MET A 60 -1.485 -6.423 5.082 1.00 0.40 C ATOM 933 CG MET A 60 -1.445 -7.931 4.862 1.00 0.73 C ATOM 934 SD MET A 60 -2.582 -8.477 3.568 1.00 0.93 S ATOM 935 CE MET A 60 -4.163 -8.135 4.337 1.00 1.97 C ATOM 0 H MET A 60 0.931 -6.854 5.817 1.00 0.28 H new ATOM 0 HA MET A 60 -1.112 -4.914 6.560 1.00 0.30 H new ATOM 0 HB2 MET A 60 -2.521 -6.087 5.036 1.00 0.40 H new ATOM 0 HB3 MET A 60 -0.955 -5.933 4.265 1.00 0.40 H new ATOM 0 HG2 MET A 60 -0.430 -8.229 4.598 1.00 0.73 H new ATOM 0 HG3 MET A 60 -1.693 -8.437 5.795 1.00 0.73 H new ATOM 0 HE1 MET A 60 -4.732 -9.060 4.426 1.00 1.97 H new ATOM 0 HE2 MET A 60 -4.001 -7.711 5.328 1.00 1.97 H new ATOM 0 HE3 MET A 60 -4.719 -7.425 3.725 1.00 1.97 H new ATOM 945 N ASP A 61 -2.636 -6.373 8.021 1.00 0.30 N ATOM 946 CA ASP A 61 -3.318 -7.076 9.093 1.00 0.31 C ATOM 947 C ASP A 61 -4.284 -8.101 8.500 1.00 0.29 C ATOM 948 O ASP A 61 -4.998 -7.816 7.530 1.00 0.34 O ATOM 949 CB ASP A 61 -4.049 -6.089 10.011 1.00 0.42 C ATOM 950 CG ASP A 61 -5.327 -6.658 10.591 1.00 0.68 C ATOM 951 OD1 ASP A 61 -5.252 -7.566 11.443 1.00 0.94 O ATOM 952 OD2 ASP A 61 -6.412 -6.208 10.185 1.00 0.96 O ATOM 0 H ASP A 61 -3.133 -5.554 7.671 1.00 0.30 H new ATOM 0 HA ASP A 61 -2.582 -7.602 9.701 1.00 0.31 H new ATOM 0 HB2 ASP A 61 -3.385 -5.798 10.825 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -4.282 -5.184 9.450 1.00 0.42 H new ATOM 957 N THR A 62 -4.293 -9.292 9.082 1.00 0.37 N ATOM 958 CA THR A 62 -5.137 -10.376 8.609 1.00 0.44 C ATOM 959 C THR A 62 -6.613 -9.970 8.542 1.00 0.41 C ATOM 960 O THR A 62 -7.309 -10.326 7.589 1.00 0.50 O ATOM 961 CB THR A 62 -4.971 -11.638 9.493 1.00 0.59 C ATOM 962 OG1 THR A 62 -5.371 -12.814 8.771 1.00 0.85 O ATOM 963 CG2 THR A 62 -5.777 -11.530 10.780 1.00 0.74 C ATOM 0 H THR A 62 -3.719 -9.532 9.890 1.00 0.37 H new ATOM 0 HA THR A 62 -4.810 -10.610 7.596 1.00 0.44 H new ATOM 0 HB THR A 62 -3.916 -11.715 9.755 1.00 0.59 H new ATOM 0 HG1 THR A 62 -5.259 -13.602 9.342 1.00 0.85 H new ATOM 0 HG21 THR A 62 -5.636 -12.433 11.374 1.00 0.74 H new ATOM 0 HG22 THR A 62 -5.439 -10.664 11.349 1.00 0.74 H new ATOM 0 HG23 THR A 62 -6.834 -11.416 10.539 1.00 0.74 H new ATOM 971 N ASP A 63 -7.085 -9.209 9.528 1.00 0.36 N ATOM 972 CA ASP A 63 -8.485 -8.796 9.551 1.00 0.41 C ATOM 973 C ASP A 63 -8.802 -7.841 8.404 1.00 0.40 C ATOM 974 O ASP A 63 -9.497 -8.217 7.459 1.00 0.65 O ATOM 975 CB ASP A 63 -8.865 -8.152 10.884 1.00 0.47 C ATOM 976 CG ASP A 63 -10.277 -7.600 10.856 1.00 0.62 C ATOM 977 OD1 ASP A 63 -11.233 -8.403 10.835 1.00 0.82 O ATOM 978 OD2 ASP A 63 -10.434 -6.366 10.850 1.00 0.75 O ATOM 0 H ASP A 63 -6.526 -8.870 10.311 1.00 0.36 H new ATOM 0 HA ASP A 63 -9.080 -9.701 9.427 1.00 0.41 H new ATOM 0 HB2 ASP A 63 -8.778 -8.889 11.682 1.00 0.47 H new ATOM 0 HB3 ASP A 63 -8.164 -7.349 11.113 1.00 0.47 H new ATOM 983 N GLY A 64 -8.295 -6.616 8.480 1.00 0.45 N ATOM 984 CA GLY A 64 -8.557 -5.653 7.429 1.00 0.50 C ATOM 985 C GLY A 64 -7.786 -4.349 7.553 1.00 0.43 C ATOM 986 O GLY A 64 -8.216 -3.330 7.004 1.00 0.64 O ATOM 0 H GLY A 64 -7.712 -6.275 9.244 1.00 0.45 H new ATOM 0 HA2 GLY A 64 -8.318 -6.110 6.469 1.00 0.50 H new ATOM 0 HA3 GLY A 64 -9.624 -5.429 7.419 1.00 0.50 H new ATOM 990 N LEU A 65 -6.654 -4.371 8.252 1.00 0.40 N ATOM 991 CA LEU A 65 -5.832 -3.177 8.432 1.00 0.34 C ATOM 992 C LEU A 65 -4.435 -3.374 7.836 1.00 0.33 C ATOM 993 O LEU A 65 -4.127 -4.436 7.285 1.00 0.60 O ATOM 994 CB LEU A 65 -5.721 -2.833 9.923 1.00 0.37 C ATOM 995 CG LEU A 65 -6.826 -1.929 10.480 1.00 0.71 C ATOM 996 CD1 LEU A 65 -6.782 -0.559 9.821 1.00 1.23 C ATOM 997 CD2 LEU A 65 -8.192 -2.574 10.296 1.00 1.16 C ATOM 0 H LEU A 65 -6.284 -5.207 8.705 1.00 0.40 H new ATOM 0 HA LEU A 65 -6.314 -2.352 7.907 1.00 0.34 H new ATOM 0 HB2 LEU A 65 -5.716 -3.763 10.492 1.00 0.37 H new ATOM 0 HB3 LEU A 65 -4.760 -2.349 10.095 1.00 0.37 H new ATOM 0 HG LEU A 65 -6.654 -1.798 11.548 1.00 0.71 H new ATOM 0 HD11 LEU A 65 -7.575 0.067 10.230 1.00 1.23 H new ATOM 0 HD12 LEU A 65 -5.815 -0.093 10.014 1.00 1.23 H new ATOM 0 HD13 LEU A 65 -6.924 -0.668 8.746 1.00 1.23 H new ATOM 0 HD21 LEU A 65 -8.962 -1.916 10.698 1.00 1.16 H new ATOM 0 HD22 LEU A 65 -8.375 -2.741 9.235 1.00 1.16 H new ATOM 0 HD23 LEU A 65 -8.218 -3.528 10.823 1.00 1.16 H new ATOM 1009 N LEU A 66 -3.604 -2.342 7.936 1.00 0.37 N ATOM 1010 CA LEU A 66 -2.234 -2.384 7.430 1.00 0.36 C ATOM 1011 C LEU A 66 -1.334 -1.530 8.321 1.00 0.34 C ATOM 1012 O LEU A 66 -1.775 -0.507 8.848 1.00 0.45 O ATOM 1013 CB LEU A 66 -2.167 -1.878 5.983 1.00 0.41 C ATOM 1014 CG LEU A 66 -3.030 -2.644 4.972 1.00 0.50 C ATOM 1015 CD1 LEU A 66 -4.433 -2.059 4.903 1.00 0.57 C ATOM 1016 CD2 LEU A 66 -2.380 -2.635 3.597 1.00 0.61 C ATOM 0 H LEU A 66 -3.859 -1.454 8.369 1.00 0.37 H new ATOM 0 HA LEU A 66 -1.890 -3.418 7.445 1.00 0.36 H new ATOM 0 HB2 LEU A 66 -2.467 -0.830 5.969 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -1.129 -1.917 5.651 1.00 0.41 H new ATOM 0 HG LEU A 66 -3.109 -3.677 5.309 1.00 0.50 H new ATOM 0 HD11 LEU A 66 -5.026 -2.619 4.180 1.00 0.57 H new ATOM 0 HD12 LEU A 66 -4.903 -2.124 5.884 1.00 0.57 H new ATOM 0 HD13 LEU A 66 -4.377 -1.015 4.596 1.00 0.57 H new ATOM 0 HD21 LEU A 66 -3.007 -3.183 2.894 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -2.266 -1.606 3.255 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -1.400 -3.109 3.655 1.00 0.61 H new ATOM 1028 N TYR A 67 -0.085 -1.947 8.499 1.00 0.28 N ATOM 1029 CA TYR A 67 0.849 -1.200 9.334 1.00 0.33 C ATOM 1030 C TYR A 67 2.290 -1.361 8.847 1.00 0.30 C ATOM 1031 O TYR A 67 2.579 -2.206 7.997 1.00 0.32 O ATOM 1032 CB TYR A 67 0.732 -1.642 10.798 1.00 0.43 C ATOM 1033 CG TYR A 67 0.875 -3.136 11.011 1.00 0.41 C ATOM 1034 CD1 TYR A 67 -0.221 -3.983 10.892 1.00 0.45 C ATOM 1035 CD2 TYR A 67 2.105 -3.697 11.332 1.00 0.55 C ATOM 1036 CE1 TYR A 67 -0.094 -5.345 11.092 1.00 0.55 C ATOM 1037 CE2 TYR A 67 2.239 -5.057 11.531 1.00 0.65 C ATOM 1038 CZ TYR A 67 1.138 -5.876 11.409 1.00 0.63 C ATOM 1039 OH TYR A 67 1.269 -7.232 11.610 1.00 0.80 O ATOM 0 H TYR A 67 0.302 -2.792 8.080 1.00 0.28 H new ATOM 0 HA TYR A 67 0.586 -0.145 9.260 1.00 0.33 H new ATOM 0 HB2 TYR A 67 1.495 -1.129 11.383 1.00 0.43 H new ATOM 0 HB3 TYR A 67 -0.235 -1.322 11.186 1.00 0.43 H new ATOM 0 HD1 TYR A 67 -1.187 -3.571 10.639 1.00 0.45 H new ATOM 0 HD2 TYR A 67 2.971 -3.059 11.427 1.00 0.55 H new ATOM 0 HE1 TYR A 67 -0.956 -5.990 11.000 1.00 0.55 H new ATOM 0 HE2 TYR A 67 3.202 -5.476 11.781 1.00 0.65 H new ATOM 0 HH TYR A 67 2.202 -7.442 11.824 1.00 0.80 H new ATOM 1049 N GLY A 68 3.183 -0.534 9.385 1.00 0.34 N ATOM 1050 CA GLY A 68 4.588 -0.589 9.010 1.00 0.38 C ATOM 1051 C GLY A 68 5.500 -0.918 10.184 1.00 0.52 C ATOM 1052 O GLY A 68 6.720 -0.756 10.093 1.00 1.27 O ATOM 0 H GLY A 68 2.957 0.179 10.079 1.00 0.34 H new ATOM 0 HA2 GLY A 68 4.722 -1.339 8.230 1.00 0.38 H new ATOM 0 HA3 GLY A 68 4.883 0.370 8.584 1.00 0.38 H new ATOM 1056 N SER A 69 4.916 -1.380 11.283 1.00 0.36 N ATOM 1057 CA SER A 69 5.683 -1.728 12.470 1.00 0.39 C ATOM 1058 C SER A 69 6.673 -2.854 12.168 1.00 0.32 C ATOM 1059 O SER A 69 6.302 -3.894 11.620 1.00 0.37 O ATOM 1060 CB SER A 69 4.734 -2.135 13.597 1.00 0.51 C ATOM 1061 OG SER A 69 3.611 -1.264 13.645 1.00 1.23 O ATOM 0 H SER A 69 3.910 -1.522 11.376 1.00 0.36 H new ATOM 0 HA SER A 69 6.255 -0.855 12.785 1.00 0.39 H new ATOM 0 HB2 SER A 69 4.399 -3.161 13.445 1.00 0.51 H new ATOM 0 HB3 SER A 69 5.261 -2.110 14.551 1.00 0.51 H new ATOM 0 HG SER A 69 3.915 -0.334 13.583 1.00 1.23 H new ATOM 1067 N GLN A 70 7.934 -2.635 12.527 1.00 0.31 N ATOM 1068 CA GLN A 70 8.990 -3.612 12.289 1.00 0.33 C ATOM 1069 C GLN A 70 8.618 -4.979 12.862 1.00 0.32 C ATOM 1070 O GLN A 70 8.616 -5.179 14.081 1.00 0.45 O ATOM 1071 CB GLN A 70 10.310 -3.124 12.891 1.00 0.43 C ATOM 1072 CG GLN A 70 11.491 -3.246 11.941 1.00 0.61 C ATOM 1073 CD GLN A 70 11.805 -4.686 11.576 1.00 0.93 C ATOM 1074 OE1 GLN A 70 11.581 -5.604 12.366 1.00 1.14 O ATOM 1075 NE2 GLN A 70 12.337 -4.894 10.384 1.00 1.29 N ATOM 0 H GLN A 70 8.251 -1.782 12.988 1.00 0.31 H new ATOM 0 HA GLN A 70 9.112 -3.721 11.211 1.00 0.33 H new ATOM 0 HB2 GLN A 70 10.200 -2.082 13.190 1.00 0.43 H new ATOM 0 HB3 GLN A 70 10.521 -3.695 13.795 1.00 0.43 H new ATOM 0 HG2 GLN A 70 11.280 -2.683 11.032 1.00 0.61 H new ATOM 0 HG3 GLN A 70 12.369 -2.792 12.400 1.00 0.61 H new ATOM 0 HE21 GLN A 70 12.508 -4.107 9.757 1.00 1.29 H new ATOM 0 HE22 GLN A 70 12.577 -5.841 10.091 1.00 1.29 H new ATOM 1084 N THR A 71 8.266 -5.901 11.977 1.00 0.29 N ATOM 1085 CA THR A 71 7.898 -7.259 12.355 1.00 0.33 C ATOM 1086 C THR A 71 7.897 -8.164 11.119 1.00 0.30 C ATOM 1087 O THR A 71 6.963 -8.132 10.320 1.00 0.38 O ATOM 1088 CB THR A 71 6.509 -7.302 13.045 1.00 0.43 C ATOM 1089 OG1 THR A 71 6.597 -6.757 14.375 1.00 0.52 O ATOM 1090 CG2 THR A 71 5.964 -8.724 13.118 1.00 0.58 C ATOM 0 H THR A 71 8.227 -5.728 10.973 1.00 0.29 H new ATOM 0 HA THR A 71 8.638 -7.620 13.070 1.00 0.33 H new ATOM 0 HB THR A 71 5.826 -6.701 12.444 1.00 0.43 H new ATOM 0 HG1 THR A 71 7.511 -6.445 14.541 1.00 0.52 H new ATOM 0 HG21 THR A 71 4.990 -8.716 13.607 1.00 0.58 H new ATOM 0 HG22 THR A 71 5.860 -9.126 12.110 1.00 0.58 H new ATOM 0 HG23 THR A 71 6.651 -9.348 13.689 1.00 0.58 H new ATOM 1098 N PRO A 72 8.960 -8.967 10.941 1.00 0.30 N ATOM 1099 CA PRO A 72 9.086 -9.871 9.792 1.00 0.33 C ATOM 1100 C PRO A 72 7.984 -10.923 9.753 1.00 0.31 C ATOM 1101 O PRO A 72 7.676 -11.548 10.771 1.00 0.44 O ATOM 1102 CB PRO A 72 10.450 -10.536 9.995 1.00 0.44 C ATOM 1103 CG PRO A 72 10.753 -10.368 11.442 1.00 0.50 C ATOM 1104 CD PRO A 72 10.118 -9.070 11.850 1.00 0.41 C ATOM 0 HA PRO A 72 8.999 -9.332 8.849 1.00 0.33 H new ATOM 0 HB2 PRO A 72 10.420 -11.590 9.719 1.00 0.44 H new ATOM 0 HB3 PRO A 72 11.214 -10.066 9.375 1.00 0.44 H new ATOM 0 HG2 PRO A 72 10.352 -11.198 12.023 1.00 0.50 H new ATOM 0 HG3 PRO A 72 11.829 -10.348 11.616 1.00 0.50 H new ATOM 0 HD2 PRO A 72 9.810 -9.082 12.896 1.00 0.41 H new ATOM 0 HD3 PRO A 72 10.802 -8.230 11.729 1.00 0.41 H new ATOM 1112 N ASN A 73 7.386 -11.114 8.580 1.00 0.28 N ATOM 1113 CA ASN A 73 6.324 -12.105 8.421 1.00 0.31 C ATOM 1114 C ASN A 73 5.887 -12.226 6.963 1.00 0.28 C ATOM 1115 O ASN A 73 6.056 -11.294 6.169 1.00 0.31 O ATOM 1116 CB ASN A 73 5.114 -11.757 9.291 1.00 0.38 C ATOM 1117 CG ASN A 73 4.257 -12.974 9.579 1.00 0.72 C ATOM 1118 OD1 ASN A 73 3.452 -13.390 8.746 1.00 1.01 O ATOM 1119 ND2 ASN A 73 4.425 -13.557 10.756 1.00 1.26 N ATOM 0 H ASN A 73 7.616 -10.599 7.730 1.00 0.28 H new ATOM 0 HA ASN A 73 6.730 -13.064 8.743 1.00 0.31 H new ATOM 0 HB2 ASN A 73 5.455 -11.323 10.231 1.00 0.38 H new ATOM 0 HB3 ASN A 73 4.512 -10.999 8.789 1.00 0.38 H new ATOM 0 HD21 ASN A 73 3.877 -14.382 10.999 1.00 1.26 H new ATOM 0 HD22 ASN A 73 5.103 -13.181 11.419 1.00 1.26 H new ATOM 1126 N GLU A 74 5.312 -13.378 6.626 1.00 0.28 N ATOM 1127 CA GLU A 74 4.848 -13.657 5.268 1.00 0.30 C ATOM 1128 C GLU A 74 3.756 -12.682 4.832 1.00 0.28 C ATOM 1129 O GLU A 74 3.584 -12.424 3.637 1.00 0.31 O ATOM 1130 CB GLU A 74 4.312 -15.083 5.177 1.00 0.37 C ATOM 1131 CG GLU A 74 5.306 -16.139 5.623 1.00 0.45 C ATOM 1132 CD GLU A 74 4.688 -17.516 5.685 1.00 0.56 C ATOM 1133 OE1 GLU A 74 3.687 -17.687 6.415 1.00 0.66 O ATOM 1134 OE2 GLU A 74 5.196 -18.431 5.006 1.00 0.79 O ATOM 0 H GLU A 74 5.155 -14.142 7.283 1.00 0.28 H new ATOM 0 HA GLU A 74 5.702 -13.537 4.602 1.00 0.30 H new ATOM 0 HB2 GLU A 74 3.412 -15.163 5.787 1.00 0.37 H new ATOM 0 HB3 GLU A 74 4.018 -15.286 4.147 1.00 0.37 H new ATOM 0 HG2 GLU A 74 6.151 -16.153 4.935 1.00 0.45 H new ATOM 0 HG3 GLU A 74 5.698 -15.874 6.605 1.00 0.45 H new ATOM 1141 N GLU A 75 3.015 -12.145 5.799 1.00 0.28 N ATOM 1142 CA GLU A 75 1.939 -11.198 5.503 1.00 0.30 C ATOM 1143 C GLU A 75 2.444 -10.016 4.658 1.00 0.34 C ATOM 1144 O GLU A 75 1.645 -9.261 4.103 1.00 0.60 O ATOM 1145 CB GLU A 75 1.298 -10.676 6.796 1.00 0.37 C ATOM 1146 CG GLU A 75 0.965 -11.762 7.814 1.00 0.49 C ATOM 1147 CD GLU A 75 0.361 -13.010 7.192 1.00 0.53 C ATOM 1148 OE1 GLU A 75 -0.820 -12.970 6.796 1.00 1.26 O ATOM 1149 OE2 GLU A 75 1.061 -14.043 7.110 1.00 1.21 O ATOM 0 H GLU A 75 3.138 -12.348 6.791 1.00 0.28 H new ATOM 0 HA GLU A 75 1.187 -11.736 4.926 1.00 0.30 H new ATOM 0 HB2 GLU A 75 1.974 -9.956 7.258 1.00 0.37 H new ATOM 0 HB3 GLU A 75 0.384 -10.138 6.543 1.00 0.37 H new ATOM 0 HG2 GLU A 75 1.873 -12.036 8.351 1.00 0.49 H new ATOM 0 HG3 GLU A 75 0.269 -11.359 8.549 1.00 0.49 H new ATOM 1156 N CYS A 76 3.767 -9.848 4.577 1.00 0.25 N ATOM 1157 CA CYS A 76 4.367 -8.769 3.795 1.00 0.28 C ATOM 1158 C CYS A 76 4.354 -9.075 2.285 1.00 0.28 C ATOM 1159 O CYS A 76 4.714 -8.220 1.475 1.00 0.36 O ATOM 1160 CB CYS A 76 5.804 -8.538 4.272 1.00 0.31 C ATOM 1161 SG CYS A 76 6.503 -6.932 3.825 1.00 0.49 S ATOM 0 H CYS A 76 4.444 -10.450 5.047 1.00 0.25 H new ATOM 0 HA CYS A 76 3.772 -7.868 3.948 1.00 0.28 H new ATOM 0 HB2 CYS A 76 5.833 -8.642 5.357 1.00 0.31 H new ATOM 0 HB3 CYS A 76 6.439 -9.322 3.860 1.00 0.31 H new ATOM 0 HG CYS A 76 5.660 -5.991 4.131 1.00 0.49 H new ATOM 1167 N LEU A 77 3.955 -10.292 1.903 1.00 0.27 N ATOM 1168 CA LEU A 77 3.909 -10.674 0.491 1.00 0.31 C ATOM 1169 C LEU A 77 2.654 -10.118 -0.180 1.00 0.25 C ATOM 1170 O LEU A 77 1.535 -10.572 0.086 1.00 0.31 O ATOM 1171 CB LEU A 77 3.965 -12.203 0.337 1.00 0.41 C ATOM 1172 CG LEU A 77 5.368 -12.820 0.412 1.00 0.54 C ATOM 1173 CD1 LEU A 77 6.271 -12.224 -0.658 1.00 0.76 C ATOM 1174 CD2 LEU A 77 5.978 -12.632 1.798 1.00 0.58 C ATOM 0 H LEU A 77 3.661 -11.025 2.549 1.00 0.27 H new ATOM 0 HA LEU A 77 4.782 -10.246 -0.002 1.00 0.31 H new ATOM 0 HB2 LEU A 77 3.347 -12.653 1.114 1.00 0.41 H new ATOM 0 HB3 LEU A 77 3.519 -12.472 -0.621 1.00 0.41 H new ATOM 0 HG LEU A 77 5.276 -13.891 0.230 1.00 0.54 H new ATOM 0 HD11 LEU A 77 7.262 -12.673 -0.590 1.00 0.76 H new ATOM 0 HD12 LEU A 77 5.849 -12.424 -1.643 1.00 0.76 H new ATOM 0 HD13 LEU A 77 6.350 -11.147 -0.509 1.00 0.76 H new ATOM 0 HD21 LEU A 77 6.972 -13.079 1.822 1.00 0.58 H new ATOM 0 HD22 LEU A 77 6.053 -11.568 2.021 1.00 0.58 H new ATOM 0 HD23 LEU A 77 5.345 -13.115 2.543 1.00 0.58 H new ATOM 1186 N PHE A 78 2.846 -9.131 -1.051 1.00 0.21 N ATOM 1187 CA PHE A 78 1.736 -8.504 -1.757 1.00 0.21 C ATOM 1188 C PHE A 78 1.890 -8.644 -3.271 1.00 0.19 C ATOM 1189 O PHE A 78 2.978 -8.940 -3.775 1.00 0.23 O ATOM 1190 CB PHE A 78 1.646 -7.020 -1.398 1.00 0.26 C ATOM 1191 CG PHE A 78 1.598 -6.754 0.081 1.00 0.29 C ATOM 1192 CD1 PHE A 78 0.450 -7.011 0.807 1.00 0.46 C ATOM 1193 CD2 PHE A 78 2.702 -6.245 0.742 1.00 0.32 C ATOM 1194 CE1 PHE A 78 0.403 -6.768 2.165 1.00 0.53 C ATOM 1195 CE2 PHE A 78 2.663 -6.000 2.101 1.00 0.38 C ATOM 1196 CZ PHE A 78 1.511 -6.260 2.814 1.00 0.45 C ATOM 0 H PHE A 78 3.762 -8.749 -1.284 1.00 0.21 H new ATOM 0 HA PHE A 78 0.823 -9.013 -1.449 1.00 0.21 H new ATOM 0 HB2 PHE A 78 2.505 -6.500 -1.823 1.00 0.26 H new ATOM 0 HB3 PHE A 78 0.755 -6.597 -1.863 1.00 0.26 H new ATOM 0 HD1 PHE A 78 -0.421 -7.407 0.306 1.00 0.46 H new ATOM 0 HD2 PHE A 78 3.606 -6.037 0.188 1.00 0.32 H new ATOM 0 HE1 PHE A 78 -0.500 -6.975 2.720 1.00 0.53 H new ATOM 0 HE2 PHE A 78 3.533 -5.605 2.605 1.00 0.38 H new ATOM 0 HZ PHE A 78 1.476 -6.067 3.876 1.00 0.45 H new ATOM 1206 N LEU A 79 0.786 -8.436 -3.980 1.00 0.21 N ATOM 1207 CA LEU A 79 0.765 -8.507 -5.437 1.00 0.21 C ATOM 1208 C LEU A 79 0.458 -7.120 -6.008 1.00 0.20 C ATOM 1209 O LEU A 79 -0.582 -6.535 -5.690 1.00 0.21 O ATOM 1210 CB LEU A 79 -0.300 -9.513 -5.894 1.00 0.24 C ATOM 1211 CG LEU A 79 -0.048 -10.202 -7.242 1.00 0.30 C ATOM 1212 CD1 LEU A 79 0.095 -9.177 -8.361 1.00 0.34 C ATOM 1213 CD2 LEU A 79 1.181 -11.097 -7.164 1.00 0.35 C ATOM 0 H LEU A 79 -0.118 -8.214 -3.562 1.00 0.21 H new ATOM 0 HA LEU A 79 1.738 -8.838 -5.800 1.00 0.21 H new ATOM 0 HB2 LEU A 79 -0.395 -10.283 -5.128 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -1.258 -8.997 -5.947 1.00 0.24 H new ATOM 0 HG LEU A 79 -0.911 -10.827 -7.471 1.00 0.30 H new ATOM 0 HD11 LEU A 79 0.273 -9.692 -9.305 1.00 0.34 H new ATOM 0 HD12 LEU A 79 -0.820 -8.589 -8.435 1.00 0.34 H new ATOM 0 HD13 LEU A 79 0.934 -8.516 -8.144 1.00 0.34 H new ATOM 0 HD21 LEU A 79 1.343 -11.577 -8.129 1.00 0.35 H new ATOM 0 HD22 LEU A 79 2.053 -10.496 -6.906 1.00 0.35 H new ATOM 0 HD23 LEU A 79 1.028 -11.860 -6.401 1.00 0.35 H new ATOM 1225 N GLU A 80 1.363 -6.598 -6.836 1.00 0.21 N ATOM 1226 CA GLU A 80 1.186 -5.278 -7.438 1.00 0.22 C ATOM 1227 C GLU A 80 0.716 -5.406 -8.884 1.00 0.22 C ATOM 1228 O GLU A 80 1.425 -5.951 -9.734 1.00 0.35 O ATOM 1229 CB GLU A 80 2.497 -4.476 -7.378 1.00 0.28 C ATOM 1230 CG GLU A 80 2.393 -3.078 -7.984 1.00 0.33 C ATOM 1231 CD GLU A 80 3.673 -2.267 -7.858 1.00 0.36 C ATOM 1232 OE1 GLU A 80 4.626 -2.512 -8.626 1.00 0.57 O ATOM 1233 OE2 GLU A 80 3.734 -1.361 -6.995 1.00 0.45 O ATOM 0 H GLU A 80 2.226 -7.070 -7.105 1.00 0.21 H new ATOM 0 HA GLU A 80 0.424 -4.745 -6.869 1.00 0.22 H new ATOM 0 HB2 GLU A 80 2.811 -4.388 -6.338 1.00 0.28 H new ATOM 0 HB3 GLU A 80 3.276 -5.031 -7.901 1.00 0.28 H new ATOM 0 HG2 GLU A 80 2.130 -3.166 -9.038 1.00 0.33 H new ATOM 0 HG3 GLU A 80 1.581 -2.539 -7.497 1.00 0.33 H new ATOM 1240 N ARG A 81 -0.493 -4.925 -9.154 1.00 0.20 N ATOM 1241 CA ARG A 81 -1.050 -4.967 -10.497 1.00 0.23 C ATOM 1242 C ARG A 81 -1.167 -3.550 -11.052 1.00 0.20 C ATOM 1243 O ARG A 81 -2.056 -2.790 -10.664 1.00 0.24 O ATOM 1244 CB ARG A 81 -2.419 -5.655 -10.491 1.00 0.29 C ATOM 1245 CG ARG A 81 -2.849 -6.149 -11.860 1.00 0.39 C ATOM 1246 CD ARG A 81 -4.282 -6.658 -11.851 1.00 0.50 C ATOM 1247 NE ARG A 81 -4.643 -7.310 -13.113 1.00 0.69 N ATOM 1248 CZ ARG A 81 -5.855 -7.255 -13.677 1.00 0.81 C ATOM 1249 NH1 ARG A 81 -6.859 -6.615 -13.072 1.00 1.12 N ATOM 1250 NH2 ARG A 81 -6.066 -7.857 -14.843 1.00 1.02 N ATOM 0 H ARG A 81 -1.105 -4.501 -8.457 1.00 0.20 H new ATOM 0 HA ARG A 81 -0.383 -5.544 -11.137 1.00 0.23 H new ATOM 0 HB2 ARG A 81 -2.391 -6.498 -9.801 1.00 0.29 H new ATOM 0 HB3 ARG A 81 -3.167 -4.958 -10.113 1.00 0.29 H new ATOM 0 HG2 ARG A 81 -2.755 -5.340 -12.585 1.00 0.39 H new ATOM 0 HG3 ARG A 81 -2.182 -6.947 -12.185 1.00 0.39 H new ATOM 0 HD2 ARG A 81 -4.411 -7.363 -11.029 1.00 0.50 H new ATOM 0 HD3 ARG A 81 -4.961 -5.825 -11.666 1.00 0.50 H new ATOM 0 HE ARG A 81 -3.919 -7.843 -13.595 1.00 0.69 H new ATOM 0 HH11 ARG A 81 -6.706 -6.162 -12.171 1.00 1.12 H new ATOM 0 HH12 ARG A 81 -7.779 -6.579 -13.511 1.00 1.12 H new ATOM 0 HH21 ARG A 81 -5.306 -8.358 -15.303 1.00 1.02 H new ATOM 0 HH22 ARG A 81 -6.988 -7.818 -15.277 1.00 1.02 H new ATOM 1264 N LEU A 82 -0.264 -3.191 -11.954 1.00 0.22 N ATOM 1265 CA LEU A 82 -0.265 -1.858 -12.542 1.00 0.24 C ATOM 1266 C LEU A 82 -0.901 -1.864 -13.929 1.00 0.27 C ATOM 1267 O LEU A 82 -0.353 -2.442 -14.867 1.00 0.40 O ATOM 1268 CB LEU A 82 1.168 -1.317 -12.627 1.00 0.32 C ATOM 1269 CG LEU A 82 1.302 0.095 -13.210 1.00 0.36 C ATOM 1270 CD1 LEU A 82 0.689 1.130 -12.271 1.00 0.43 C ATOM 1271 CD2 LEU A 82 2.763 0.422 -13.489 1.00 0.54 C ATOM 0 H LEU A 82 0.478 -3.803 -12.294 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.859 -1.209 -11.899 1.00 0.24 H new ATOM 0 HB2 LEU A 82 1.600 -1.322 -11.626 1.00 0.32 H new ATOM 0 HB3 LEU A 82 1.761 -2.001 -13.234 1.00 0.32 H new ATOM 0 HG LEU A 82 0.756 0.127 -14.153 1.00 0.36 H new ATOM 0 HD11 LEU A 82 0.796 2.124 -12.705 1.00 0.43 H new ATOM 0 HD12 LEU A 82 -0.369 0.909 -12.126 1.00 0.43 H new ATOM 0 HD13 LEU A 82 1.201 1.097 -11.309 1.00 0.43 H new ATOM 0 HD21 LEU A 82 2.838 1.428 -13.902 1.00 0.54 H new ATOM 0 HD22 LEU A 82 3.332 0.368 -12.561 1.00 0.54 H new ATOM 0 HD23 LEU A 82 3.166 -0.295 -14.204 1.00 0.54 H new ATOM 1283 N GLU A 83 -2.065 -1.228 -14.052 1.00 0.28 N ATOM 1284 CA GLU A 83 -2.752 -1.147 -15.339 1.00 0.36 C ATOM 1285 C GLU A 83 -2.082 -0.103 -16.237 1.00 0.44 C ATOM 1286 O GLU A 83 -2.268 -0.112 -17.455 1.00 1.00 O ATOM 1287 CB GLU A 83 -4.233 -0.793 -15.151 1.00 0.42 C ATOM 1288 CG GLU A 83 -5.022 -0.817 -16.452 1.00 0.67 C ATOM 1289 CD GLU A 83 -6.447 -0.327 -16.298 1.00 0.91 C ATOM 1290 OE1 GLU A 83 -7.302 -1.108 -15.834 1.00 1.19 O ATOM 1291 OE2 GLU A 83 -6.727 0.834 -16.655 1.00 1.24 O ATOM 0 H GLU A 83 -2.549 -0.765 -13.283 1.00 0.28 H new ATOM 0 HA GLU A 83 -2.686 -2.125 -15.815 1.00 0.36 H new ATOM 0 HB2 GLU A 83 -4.682 -1.495 -14.448 1.00 0.42 H new ATOM 0 HB3 GLU A 83 -4.310 0.198 -14.705 1.00 0.42 H new ATOM 0 HG2 GLU A 83 -4.511 -0.199 -17.190 1.00 0.67 H new ATOM 0 HG3 GLU A 83 -5.035 -1.835 -16.842 1.00 0.67 H new ATOM 1298 N GLU A 84 -1.325 0.811 -15.614 1.00 0.37 N ATOM 1299 CA GLU A 84 -0.618 1.881 -16.321 1.00 0.38 C ATOM 1300 C GLU A 84 -1.518 3.106 -16.491 1.00 0.31 C ATOM 1301 O GLU A 84 -1.029 4.235 -16.575 1.00 0.32 O ATOM 1302 CB GLU A 84 -0.099 1.413 -17.684 1.00 0.50 C ATOM 1303 CG GLU A 84 1.030 2.269 -18.225 1.00 0.90 C ATOM 1304 CD GLU A 84 1.065 2.280 -19.732 1.00 0.94 C ATOM 1305 OE1 GLU A 84 1.508 1.278 -20.329 1.00 1.23 O ATOM 1306 OE2 GLU A 84 0.637 3.288 -20.331 1.00 1.14 O ATOM 0 H GLU A 84 -1.187 0.827 -14.603 1.00 0.37 H new ATOM 0 HA GLU A 84 0.243 2.158 -15.712 1.00 0.38 H new ATOM 0 HB2 GLU A 84 0.245 0.382 -17.599 1.00 0.50 H new ATOM 0 HB3 GLU A 84 -0.922 1.416 -18.399 1.00 0.50 H new ATOM 0 HG2 GLU A 84 0.918 3.289 -17.859 1.00 0.90 H new ATOM 0 HG3 GLU A 84 1.981 1.896 -17.844 1.00 0.90 H new ATOM 1313 N ASN A 85 -2.831 2.885 -16.537 1.00 0.34 N ATOM 1314 CA ASN A 85 -3.797 3.972 -16.682 1.00 0.37 C ATOM 1315 C ASN A 85 -3.831 4.829 -15.411 1.00 0.29 C ATOM 1316 O ASN A 85 -4.834 4.870 -14.699 1.00 0.33 O ATOM 1317 CB ASN A 85 -5.187 3.396 -16.985 1.00 0.49 C ATOM 1318 CG ASN A 85 -6.271 4.455 -17.085 1.00 0.58 C ATOM 1319 OD1 ASN A 85 -6.010 5.602 -17.445 1.00 0.64 O ATOM 1320 ND2 ASN A 85 -7.499 4.070 -16.770 1.00 0.79 N ATOM 0 H ASN A 85 -3.251 1.958 -16.476 1.00 0.34 H new ATOM 0 HA ASN A 85 -3.494 4.609 -17.513 1.00 0.37 H new ATOM 0 HB2 ASN A 85 -5.145 2.840 -17.922 1.00 0.49 H new ATOM 0 HB3 ASN A 85 -5.455 2.685 -16.204 1.00 0.49 H new ATOM 0 HD21 ASN A 85 -8.271 4.735 -16.822 1.00 0.79 H new ATOM 0 HD22 ASN A 85 -7.672 3.109 -16.476 1.00 0.79 H new ATOM 1327 N HIS A 86 -2.706 5.485 -15.124 1.00 0.28 N ATOM 1328 CA HIS A 86 -2.564 6.352 -13.950 1.00 0.33 C ATOM 1329 C HIS A 86 -3.112 5.705 -12.673 1.00 0.30 C ATOM 1330 O HIS A 86 -3.622 6.403 -11.797 1.00 0.38 O ATOM 1331 CB HIS A 86 -3.247 7.710 -14.188 1.00 0.45 C ATOM 1332 CG HIS A 86 -4.732 7.634 -14.373 1.00 0.50 C ATOM 1333 ND1 HIS A 86 -5.336 7.641 -15.612 1.00 0.69 N ATOM 1334 CD2 HIS A 86 -5.737 7.555 -13.467 1.00 0.58 C ATOM 1335 CE1 HIS A 86 -6.646 7.573 -15.462 1.00 0.78 C ATOM 1336 NE2 HIS A 86 -6.915 7.517 -14.172 1.00 0.71 N ATOM 0 H HIS A 86 -1.865 5.431 -15.699 1.00 0.28 H new ATOM 0 HA HIS A 86 -1.495 6.508 -13.805 1.00 0.33 H new ATOM 0 HB2 HIS A 86 -3.032 8.364 -13.343 1.00 0.45 H new ATOM 0 HB3 HIS A 86 -2.807 8.174 -15.070 1.00 0.45 H new ATOM 0 HD2 HIS A 86 -5.631 7.527 -12.393 1.00 0.58 H new ATOM 0 HE1 HIS A 86 -7.374 7.565 -16.260 1.00 0.78 H new ATOM 0 HE2 HIS A 86 -7.848 7.455 -13.764 1.00 0.71 H new ATOM 1345 N TYR A 87 -3.004 4.380 -12.561 1.00 0.26 N ATOM 1346 CA TYR A 87 -3.485 3.680 -11.371 1.00 0.34 C ATOM 1347 C TYR A 87 -3.029 2.222 -11.363 1.00 0.24 C ATOM 1348 O TYR A 87 -2.693 1.656 -12.410 1.00 0.23 O ATOM 1349 CB TYR A 87 -5.019 3.779 -11.255 1.00 0.53 C ATOM 1350 CG TYR A 87 -5.789 2.606 -11.832 1.00 0.48 C ATOM 1351 CD1 TYR A 87 -5.949 1.433 -11.104 1.00 0.51 C ATOM 1352 CD2 TYR A 87 -6.367 2.679 -13.091 1.00 0.83 C ATOM 1353 CE1 TYR A 87 -6.659 0.365 -11.616 1.00 0.75 C ATOM 1354 CE2 TYR A 87 -7.083 1.615 -13.610 1.00 1.03 C ATOM 1355 CZ TYR A 87 -7.226 0.459 -12.868 1.00 0.95 C ATOM 1356 OH TYR A 87 -7.941 -0.607 -13.374 1.00 1.27 O ATOM 0 H TYR A 87 -2.592 3.776 -13.272 1.00 0.26 H new ATOM 0 HA TYR A 87 -3.048 4.169 -10.500 1.00 0.34 H new ATOM 0 HB2 TYR A 87 -5.282 3.882 -10.202 1.00 0.53 H new ATOM 0 HB3 TYR A 87 -5.347 4.690 -11.756 1.00 0.53 H new ATOM 0 HD1 TYR A 87 -5.510 1.355 -10.120 1.00 0.51 H new ATOM 0 HD2 TYR A 87 -6.256 3.581 -13.675 1.00 0.83 H new ATOM 0 HE1 TYR A 87 -6.769 -0.540 -11.037 1.00 0.75 H new ATOM 0 HE2 TYR A 87 -7.528 1.688 -14.591 1.00 1.03 H new ATOM 0 HH TYR A 87 -8.057 -0.494 -14.340 1.00 1.27 H new ATOM 1366 N ASN A 88 -3.015 1.634 -10.171 1.00 0.24 N ATOM 1367 CA ASN A 88 -2.611 0.244 -9.979 1.00 0.20 C ATOM 1368 C ASN A 88 -3.474 -0.410 -8.899 1.00 0.20 C ATOM 1369 O ASN A 88 -4.184 0.284 -8.165 1.00 0.24 O ATOM 1370 CB ASN A 88 -1.132 0.172 -9.578 1.00 0.21 C ATOM 1371 CG ASN A 88 -0.925 0.206 -8.071 1.00 0.20 C ATOM 1372 OD1 ASN A 88 -1.087 1.375 -7.469 1.00 0.24 O flip ATOM 1373 ND2 ASN A 88 -0.646 -0.815 -7.452 1.00 0.24 N flip ATOM 0 H ASN A 88 -3.284 2.108 -9.309 1.00 0.24 H new ATOM 0 HA ASN A 88 -2.749 -0.292 -10.918 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -0.696 -0.743 -9.979 1.00 0.21 H new ATOM 0 HB3 ASN A 88 -0.597 1.006 -10.032 1.00 0.21 H new ATOM 0 HD21 ASN A 88 -0.529 -1.697 -7.950 1.00 0.24 H new ATOM 0 HD22 ASN A 88 -0.531 -0.782 -6.439 1.00 0.24 H new ATOM 1380 N THR A 89 -3.406 -1.731 -8.806 1.00 0.23 N ATOM 1381 CA THR A 89 -4.172 -2.472 -7.814 1.00 0.26 C ATOM 1382 C THR A 89 -3.273 -3.397 -6.992 1.00 0.21 C ATOM 1383 O THR A 89 -2.474 -4.160 -7.544 1.00 0.25 O ATOM 1384 CB THR A 89 -5.291 -3.304 -8.478 1.00 0.34 C ATOM 1385 OG1 THR A 89 -5.039 -3.442 -9.891 1.00 0.57 O ATOM 1386 CG2 THR A 89 -6.649 -2.653 -8.249 1.00 0.72 C ATOM 0 H THR A 89 -2.825 -2.314 -9.409 1.00 0.23 H new ATOM 0 HA THR A 89 -4.623 -1.736 -7.149 1.00 0.26 H new ATOM 0 HB THR A 89 -5.300 -4.295 -8.023 1.00 0.34 H new ATOM 0 HG1 THR A 89 -5.754 -3.973 -10.301 1.00 0.57 H new ATOM 0 HG21 THR A 89 -7.425 -3.253 -8.724 1.00 0.72 H new ATOM 0 HG22 THR A 89 -6.845 -2.587 -7.179 1.00 0.72 H new ATOM 0 HG23 THR A 89 -6.650 -1.652 -8.680 1.00 0.72 H new ATOM 1394 N TYR A 90 -3.400 -3.312 -5.669 1.00 0.21 N ATOM 1395 CA TYR A 90 -2.619 -4.141 -4.756 1.00 0.21 C ATOM 1396 C TYR A 90 -3.509 -5.199 -4.109 1.00 0.23 C ATOM 1397 O TYR A 90 -4.597 -4.884 -3.621 1.00 0.28 O ATOM 1398 CB TYR A 90 -1.986 -3.284 -3.655 1.00 0.27 C ATOM 1399 CG TYR A 90 -0.810 -2.443 -4.103 1.00 0.25 C ATOM 1400 CD1 TYR A 90 0.430 -3.019 -4.349 1.00 0.26 C ATOM 1401 CD2 TYR A 90 -0.933 -1.066 -4.258 1.00 0.29 C ATOM 1402 CE1 TYR A 90 1.512 -2.253 -4.737 1.00 0.29 C ATOM 1403 CE2 TYR A 90 0.143 -0.291 -4.651 1.00 0.31 C ATOM 1404 CZ TYR A 90 1.363 -0.889 -4.888 1.00 0.31 C ATOM 1405 OH TYR A 90 2.437 -0.118 -5.271 1.00 0.36 O ATOM 0 H TYR A 90 -4.043 -2.671 -5.203 1.00 0.21 H new ATOM 0 HA TYR A 90 -1.832 -4.626 -5.333 1.00 0.21 H new ATOM 0 HB2 TYR A 90 -2.750 -2.625 -3.243 1.00 0.27 H new ATOM 0 HB3 TYR A 90 -1.660 -3.939 -2.847 1.00 0.27 H new ATOM 0 HD1 TYR A 90 0.550 -4.086 -4.235 1.00 0.26 H new ATOM 0 HD2 TYR A 90 -1.886 -0.594 -4.068 1.00 0.29 H new ATOM 0 HE1 TYR A 90 2.469 -2.719 -4.921 1.00 0.29 H new ATOM 0 HE2 TYR A 90 0.029 0.776 -4.772 1.00 0.31 H new ATOM 0 HH TYR A 90 2.655 -0.304 -6.208 1.00 0.36 H new ATOM 1415 N ILE A 91 -3.049 -6.443 -4.105 1.00 0.22 N ATOM 1416 CA ILE A 91 -3.808 -7.531 -3.501 1.00 0.26 C ATOM 1417 C ILE A 91 -2.909 -8.422 -2.647 1.00 0.27 C ATOM 1418 O ILE A 91 -1.712 -8.562 -2.918 1.00 0.27 O ATOM 1419 CB ILE A 91 -4.535 -8.390 -4.563 1.00 0.28 C ATOM 1420 CG1 ILE A 91 -3.537 -8.965 -5.577 1.00 0.26 C ATOM 1421 CG2 ILE A 91 -5.607 -7.567 -5.267 1.00 0.33 C ATOM 1422 CD1 ILE A 91 -4.177 -9.831 -6.642 1.00 0.31 C ATOM 0 H ILE A 91 -2.157 -6.724 -4.512 1.00 0.22 H new ATOM 0 HA ILE A 91 -4.562 -7.069 -2.863 1.00 0.26 H new ATOM 0 HB ILE A 91 -5.018 -9.226 -4.057 1.00 0.28 H new ATOM 0 HG12 ILE A 91 -3.009 -8.142 -6.060 1.00 0.26 H new ATOM 0 HG13 ILE A 91 -2.790 -9.553 -5.044 1.00 0.26 H new ATOM 0 HG21 ILE A 91 -6.110 -8.185 -6.011 1.00 0.33 H new ATOM 0 HG22 ILE A 91 -6.335 -7.216 -4.536 1.00 0.33 H new ATOM 0 HG23 ILE A 91 -5.144 -6.711 -5.759 1.00 0.33 H new ATOM 0 HD11 ILE A 91 -3.408 -10.200 -7.321 1.00 0.31 H new ATOM 0 HD12 ILE A 91 -4.681 -10.675 -6.171 1.00 0.31 H new ATOM 0 HD13 ILE A 91 -4.903 -9.242 -7.202 1.00 0.31 H new ATOM 1434 N SER A 92 -3.491 -9.008 -1.604 1.00 0.33 N ATOM 1435 CA SER A 92 -2.757 -9.886 -0.702 1.00 0.37 C ATOM 1436 C SER A 92 -2.295 -11.147 -1.431 1.00 0.31 C ATOM 1437 O SER A 92 -3.113 -11.893 -1.972 1.00 0.44 O ATOM 1438 CB SER A 92 -3.640 -10.255 0.492 1.00 0.50 C ATOM 1439 OG SER A 92 -4.417 -9.144 0.911 1.00 0.82 O ATOM 0 H SER A 92 -4.475 -8.888 -1.363 1.00 0.33 H new ATOM 0 HA SER A 92 -1.873 -9.359 -0.343 1.00 0.37 H new ATOM 0 HB2 SER A 92 -4.297 -11.082 0.222 1.00 0.50 H new ATOM 0 HB3 SER A 92 -3.017 -10.600 1.317 1.00 0.50 H new ATOM 0 HG SER A 92 -4.025 -8.758 1.722 1.00 0.82 H new ATOM 1445 N LYS A 93 -0.984 -11.380 -1.444 1.00 0.31 N ATOM 1446 CA LYS A 93 -0.418 -12.547 -2.114 1.00 0.31 C ATOM 1447 C LYS A 93 -0.655 -13.811 -1.291 1.00 0.29 C ATOM 1448 O LYS A 93 -1.308 -14.747 -1.750 1.00 0.35 O ATOM 1449 CB LYS A 93 1.083 -12.333 -2.366 1.00 0.42 C ATOM 1450 CG LYS A 93 1.793 -13.511 -3.021 1.00 0.55 C ATOM 1451 CD LYS A 93 2.167 -14.578 -2.003 1.00 0.74 C ATOM 1452 CE LYS A 93 3.255 -15.505 -2.527 1.00 0.80 C ATOM 1453 NZ LYS A 93 2.855 -16.193 -3.784 1.00 0.80 N ATOM 0 H LYS A 93 -0.294 -10.775 -0.998 1.00 0.31 H new ATOM 0 HA LYS A 93 -0.917 -12.675 -3.074 1.00 0.31 H new ATOM 0 HB2 LYS A 93 1.210 -11.453 -2.997 1.00 0.42 H new ATOM 0 HB3 LYS A 93 1.570 -12.116 -1.415 1.00 0.42 H new ATOM 0 HG2 LYS A 93 1.148 -13.946 -3.784 1.00 0.55 H new ATOM 0 HG3 LYS A 93 2.692 -13.159 -3.526 1.00 0.55 H new ATOM 0 HD2 LYS A 93 2.508 -14.100 -1.085 1.00 0.74 H new ATOM 0 HD3 LYS A 93 1.283 -15.163 -1.748 1.00 0.74 H new ATOM 0 HE2 LYS A 93 4.164 -14.931 -2.704 1.00 0.80 H new ATOM 0 HE3 LYS A 93 3.491 -16.250 -1.767 1.00 0.80 H new ATOM 0 HZ1 LYS A 93 3.030 -17.214 -3.692 1.00 0.80 H new ATOM 0 HZ2 LYS A 93 1.844 -16.030 -3.963 1.00 0.80 H new ATOM 0 HZ3 LYS A 93 3.412 -15.817 -4.578 1.00 0.80 H new ATOM 1467 N LYS A 94 -0.141 -13.825 -0.062 1.00 0.28 N ATOM 1468 CA LYS A 94 -0.293 -14.988 0.811 1.00 0.31 C ATOM 1469 C LYS A 94 -1.766 -15.298 1.086 1.00 0.31 C ATOM 1470 O LYS A 94 -2.137 -16.457 1.235 1.00 0.56 O ATOM 1471 CB LYS A 94 0.448 -14.782 2.138 1.00 0.36 C ATOM 1472 CG LYS A 94 0.322 -15.969 3.081 1.00 0.55 C ATOM 1473 CD LYS A 94 1.056 -15.738 4.390 1.00 0.55 C ATOM 1474 CE LYS A 94 0.702 -16.804 5.415 1.00 0.63 C ATOM 1475 NZ LYS A 94 1.361 -16.559 6.723 1.00 0.69 N ATOM 0 H LYS A 94 0.380 -13.051 0.349 1.00 0.28 H new ATOM 0 HA LYS A 94 0.146 -15.838 0.288 1.00 0.31 H new ATOM 0 HB2 LYS A 94 1.503 -14.598 1.934 1.00 0.36 H new ATOM 0 HB3 LYS A 94 0.058 -13.891 2.631 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -0.732 -16.159 3.285 1.00 0.55 H new ATOM 0 HG3 LYS A 94 0.719 -16.861 2.596 1.00 0.55 H new ATOM 0 HD2 LYS A 94 2.131 -15.743 4.213 1.00 0.55 H new ATOM 0 HD3 LYS A 94 0.803 -14.753 4.783 1.00 0.55 H new ATOM 0 HE2 LYS A 94 -0.379 -16.830 5.553 1.00 0.63 H new ATOM 0 HE3 LYS A 94 0.998 -17.783 5.037 1.00 0.63 H new ATOM 0 HZ1 LYS A 94 0.702 -16.793 7.493 1.00 0.69 H new ATOM 0 HZ2 LYS A 94 2.210 -17.154 6.801 1.00 0.69 H new ATOM 0 HZ3 LYS A 94 1.633 -15.558 6.793 1.00 0.69 H new ATOM 1489 N HIS A 95 -2.602 -14.262 1.147 1.00 0.27 N ATOM 1490 CA HIS A 95 -4.028 -14.450 1.414 1.00 0.28 C ATOM 1491 C HIS A 95 -4.829 -14.549 0.115 1.00 0.27 C ATOM 1492 O HIS A 95 -5.973 -14.098 0.056 1.00 0.33 O ATOM 1493 CB HIS A 95 -4.579 -13.309 2.279 1.00 0.36 C ATOM 1494 CG HIS A 95 -4.089 -13.328 3.694 1.00 0.41 C ATOM 1495 ND1 HIS A 95 -4.820 -13.853 4.737 1.00 0.64 N ATOM 1496 CD2 HIS A 95 -2.936 -12.875 4.237 1.00 0.46 C ATOM 1497 CE1 HIS A 95 -4.139 -13.721 5.859 1.00 0.65 C ATOM 1498 NE2 HIS A 95 -2.993 -13.129 5.583 1.00 0.50 N ATOM 0 H HIS A 95 -2.320 -13.291 1.016 1.00 0.27 H new ATOM 0 HA HIS A 95 -4.135 -15.388 1.958 1.00 0.28 H new ATOM 0 HB2 HIS A 95 -4.307 -12.357 1.823 1.00 0.36 H new ATOM 0 HB3 HIS A 95 -5.668 -13.361 2.281 1.00 0.36 H new ATOM 0 HD2 HIS A 95 -2.122 -12.401 3.709 1.00 0.46 H new ATOM 0 HE1 HIS A 95 -4.464 -14.043 6.837 1.00 0.65 H new ATOM 0 HE2 HIS A 95 -2.267 -12.898 6.261 1.00 0.50 H new ATOM 1507 N ALA A 96 -4.239 -15.152 -0.917 1.00 0.31 N ATOM 1508 CA ALA A 96 -4.915 -15.308 -2.205 1.00 0.35 C ATOM 1509 C ALA A 96 -6.337 -15.837 -2.007 1.00 0.34 C ATOM 1510 O ALA A 96 -7.270 -15.423 -2.696 1.00 0.41 O ATOM 1511 CB ALA A 96 -4.117 -16.234 -3.117 1.00 0.44 C ATOM 0 H ALA A 96 -3.296 -15.540 -0.887 1.00 0.31 H new ATOM 0 HA ALA A 96 -4.980 -14.330 -2.681 1.00 0.35 H new ATOM 0 HB1 ALA A 96 -4.634 -16.339 -4.071 1.00 0.44 H new ATOM 0 HB2 ALA A 96 -3.126 -15.813 -3.286 1.00 0.44 H new ATOM 0 HB3 ALA A 96 -4.020 -17.213 -2.647 1.00 0.44 H new ATOM 1517 N GLU A 97 -6.493 -16.743 -1.043 1.00 0.34 N ATOM 1518 CA GLU A 97 -7.793 -17.329 -0.733 1.00 0.38 C ATOM 1519 C GLU A 97 -8.833 -16.256 -0.409 1.00 0.37 C ATOM 1520 O GLU A 97 -10.027 -16.450 -0.653 1.00 0.50 O ATOM 1521 CB GLU A 97 -7.670 -18.312 0.437 1.00 0.46 C ATOM 1522 CG GLU A 97 -7.259 -19.709 0.007 1.00 0.57 C ATOM 1523 CD GLU A 97 -8.296 -20.361 -0.880 1.00 0.73 C ATOM 1524 OE1 GLU A 97 -9.347 -20.783 -0.358 1.00 0.97 O ATOM 1525 OE2 GLU A 97 -8.069 -20.454 -2.104 1.00 0.93 O ATOM 0 H GLU A 97 -5.730 -17.088 -0.461 1.00 0.34 H new ATOM 0 HA GLU A 97 -8.131 -17.866 -1.619 1.00 0.38 H new ATOM 0 HB2 GLU A 97 -6.939 -17.929 1.149 1.00 0.46 H new ATOM 0 HB3 GLU A 97 -8.625 -18.366 0.959 1.00 0.46 H new ATOM 0 HG2 GLU A 97 -6.308 -19.659 -0.524 1.00 0.57 H new ATOM 0 HG3 GLU A 97 -7.098 -20.327 0.890 1.00 0.57 H new ATOM 1532 N LYS A 98 -8.386 -15.128 0.126 1.00 0.33 N ATOM 1533 CA LYS A 98 -9.286 -14.042 0.480 1.00 0.38 C ATOM 1534 C LYS A 98 -8.635 -12.693 0.181 1.00 0.37 C ATOM 1535 O LYS A 98 -8.537 -11.826 1.049 1.00 0.47 O ATOM 1536 CB LYS A 98 -9.686 -14.138 1.957 1.00 0.48 C ATOM 1537 CG LYS A 98 -10.426 -15.422 2.308 1.00 0.60 C ATOM 1538 CD LYS A 98 -10.897 -15.420 3.757 1.00 0.70 C ATOM 1539 CE LYS A 98 -11.931 -14.330 4.008 1.00 0.78 C ATOM 1540 NZ LYS A 98 -12.713 -14.575 5.250 1.00 0.89 N ATOM 0 H LYS A 98 -7.403 -14.942 0.324 1.00 0.33 H new ATOM 0 HA LYS A 98 -10.189 -14.127 -0.124 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -8.789 -14.066 2.573 1.00 0.48 H new ATOM 0 HB3 LYS A 98 -10.316 -13.285 2.210 1.00 0.48 H new ATOM 0 HG2 LYS A 98 -11.284 -15.541 1.646 1.00 0.60 H new ATOM 0 HG3 LYS A 98 -9.772 -16.277 2.139 1.00 0.60 H new ATOM 0 HD2 LYS A 98 -11.325 -16.392 4.003 1.00 0.70 H new ATOM 0 HD3 LYS A 98 -10.043 -15.272 4.418 1.00 0.70 H new ATOM 0 HE2 LYS A 98 -11.429 -13.365 4.081 1.00 0.78 H new ATOM 0 HE3 LYS A 98 -12.611 -14.273 3.158 1.00 0.78 H new ATOM 0 HZ1 LYS A 98 -13.404 -13.809 5.382 1.00 0.89 H new ATOM 0 HZ2 LYS A 98 -13.213 -15.483 5.172 1.00 0.89 H new ATOM 0 HZ3 LYS A 98 -12.069 -14.604 6.066 1.00 0.89 H new ATOM 1554 N ASN A 99 -8.178 -12.531 -1.055 1.00 0.40 N ATOM 1555 CA ASN A 99 -7.543 -11.288 -1.476 1.00 0.48 C ATOM 1556 C ASN A 99 -8.573 -10.159 -1.535 1.00 0.44 C ATOM 1557 O ASN A 99 -9.688 -10.354 -2.024 1.00 0.78 O ATOM 1558 CB ASN A 99 -6.863 -11.454 -2.844 1.00 0.64 C ATOM 1559 CG ASN A 99 -7.807 -11.206 -4.012 1.00 0.72 C ATOM 1560 OD1 ASN A 99 -8.474 -12.123 -4.492 1.00 0.82 O ATOM 1561 ND2 ASN A 99 -7.867 -9.966 -4.480 1.00 1.07 N ATOM 0 H ASN A 99 -8.235 -13.244 -1.782 1.00 0.40 H new ATOM 0 HA ASN A 99 -6.779 -11.033 -0.742 1.00 0.48 H new ATOM 0 HB2 ASN A 99 -6.022 -10.764 -2.911 1.00 0.64 H new ATOM 0 HB3 ASN A 99 -6.456 -12.462 -2.921 1.00 0.64 H new ATOM 0 HD21 ASN A 99 -8.481 -9.746 -5.264 1.00 1.07 H new ATOM 0 HD22 ASN A 99 -7.299 -9.233 -4.056 1.00 1.07 H new ATOM 1568 N TRP A 100 -8.200 -8.988 -1.026 1.00 0.33 N ATOM 1569 CA TRP A 100 -9.090 -7.831 -1.029 1.00 0.32 C ATOM 1570 C TRP A 100 -8.321 -6.563 -1.388 1.00 0.32 C ATOM 1571 O TRP A 100 -7.094 -6.518 -1.264 1.00 0.46 O ATOM 1572 CB TRP A 100 -9.766 -7.673 0.335 1.00 0.38 C ATOM 1573 CG TRP A 100 -10.702 -8.792 0.668 1.00 0.41 C ATOM 1574 CD1 TRP A 100 -10.525 -9.749 1.624 1.00 0.54 C ATOM 1575 CD2 TRP A 100 -11.957 -9.078 0.041 1.00 0.57 C ATOM 1576 NE1 TRP A 100 -11.592 -10.616 1.629 1.00 0.59 N ATOM 1577 CE2 TRP A 100 -12.485 -10.223 0.664 1.00 0.63 C ATOM 1578 CE3 TRP A 100 -12.682 -8.474 -0.990 1.00 0.83 C ATOM 1579 CZ2 TRP A 100 -13.708 -10.774 0.293 1.00 0.85 C ATOM 1580 CZ3 TRP A 100 -13.897 -9.023 -1.358 1.00 1.09 C ATOM 1581 CH2 TRP A 100 -14.398 -10.162 -0.719 1.00 1.08 C ATOM 0 H TRP A 100 -7.287 -8.815 -0.606 1.00 0.33 H new ATOM 0 HA TRP A 100 -9.860 -7.993 -1.783 1.00 0.32 H new ATOM 0 HB2 TRP A 100 -8.999 -7.609 1.107 1.00 0.38 H new ATOM 0 HB3 TRP A 100 -10.316 -6.732 0.353 1.00 0.38 H new ATOM 0 HD1 TRP A 100 -9.671 -9.816 2.281 1.00 0.54 H new ATOM 0 HE1 TRP A 100 -11.702 -11.419 2.248 1.00 0.59 H new ATOM 0 HE3 TRP A 100 -12.301 -7.596 -1.490 1.00 0.83 H new ATOM 0 HZ2 TRP A 100 -14.099 -11.652 0.785 1.00 0.85 H new ATOM 0 HZ3 TRP A 100 -14.468 -8.565 -2.152 1.00 1.09 H new ATOM 0 HH2 TRP A 100 -15.349 -10.567 -1.031 1.00 1.08 H new ATOM 1592 N PHE A 101 -9.045 -5.545 -1.835 1.00 0.28 N ATOM 1593 CA PHE A 101 -8.438 -4.275 -2.218 1.00 0.29 C ATOM 1594 C PHE A 101 -8.163 -3.414 -0.989 1.00 0.29 C ATOM 1595 O PHE A 101 -9.038 -3.239 -0.136 1.00 0.38 O ATOM 1596 CB PHE A 101 -9.350 -3.515 -3.185 1.00 0.34 C ATOM 1597 CG PHE A 101 -9.631 -4.248 -4.469 1.00 0.41 C ATOM 1598 CD1 PHE A 101 -8.697 -4.266 -5.493 1.00 0.49 C ATOM 1599 CD2 PHE A 101 -10.833 -4.916 -4.652 1.00 0.54 C ATOM 1600 CE1 PHE A 101 -8.956 -4.936 -6.675 1.00 0.60 C ATOM 1601 CE2 PHE A 101 -11.098 -5.585 -5.830 1.00 0.64 C ATOM 1602 CZ PHE A 101 -10.160 -5.595 -6.842 1.00 0.64 C ATOM 0 H PHE A 101 -10.059 -5.574 -1.942 1.00 0.28 H new ATOM 0 HA PHE A 101 -7.492 -4.491 -2.715 1.00 0.29 H new ATOM 0 HB2 PHE A 101 -10.295 -3.304 -2.685 1.00 0.34 H new ATOM 0 HB3 PHE A 101 -8.892 -2.554 -3.420 1.00 0.34 H new ATOM 0 HD1 PHE A 101 -7.756 -3.751 -5.366 1.00 0.49 H new ATOM 0 HD2 PHE A 101 -11.571 -4.913 -3.863 1.00 0.54 H new ATOM 0 HE1 PHE A 101 -8.220 -4.944 -7.465 1.00 0.60 H new ATOM 0 HE2 PHE A 101 -12.038 -6.100 -5.959 1.00 0.64 H new ATOM 0 HZ PHE A 101 -10.366 -6.118 -7.764 1.00 0.64 H new ATOM 1612 N VAL A 102 -6.951 -2.878 -0.903 1.00 0.30 N ATOM 1613 CA VAL A 102 -6.561 -2.032 0.220 1.00 0.35 C ATOM 1614 C VAL A 102 -7.207 -0.643 0.110 1.00 0.55 C ATOM 1615 O VAL A 102 -8.197 -0.464 -0.609 1.00 1.36 O ATOM 1616 CB VAL A 102 -5.019 -1.897 0.310 1.00 0.57 C ATOM 1617 CG1 VAL A 102 -4.379 -3.252 0.574 1.00 0.67 C ATOM 1618 CG2 VAL A 102 -4.448 -1.271 -0.955 1.00 0.82 C ATOM 0 H VAL A 102 -6.219 -3.015 -1.600 1.00 0.30 H new ATOM 0 HA VAL A 102 -6.918 -2.511 1.132 1.00 0.35 H new ATOM 0 HB VAL A 102 -4.787 -1.236 1.145 1.00 0.57 H new ATOM 0 HG11 VAL A 102 -3.297 -3.138 0.634 1.00 0.67 H new ATOM 0 HG12 VAL A 102 -4.754 -3.654 1.515 1.00 0.67 H new ATOM 0 HG13 VAL A 102 -4.627 -3.936 -0.238 1.00 0.67 H new ATOM 0 HG21 VAL A 102 -3.365 -1.189 -0.863 1.00 0.82 H new ATOM 0 HG22 VAL A 102 -4.693 -1.897 -1.813 1.00 0.82 H new ATOM 0 HG23 VAL A 102 -4.877 -0.279 -1.095 1.00 0.82 H new ATOM 1628 N GLY A 103 -6.672 0.331 0.842 1.00 0.48 N ATOM 1629 CA GLY A 103 -7.214 1.675 0.791 1.00 0.46 C ATOM 1630 C GLY A 103 -7.202 2.350 2.148 1.00 0.41 C ATOM 1631 O GLY A 103 -7.697 1.786 3.130 1.00 0.59 O ATOM 0 H GLY A 103 -5.875 0.212 1.467 1.00 0.48 H new ATOM 0 HA2 GLY A 103 -6.636 2.271 0.085 1.00 0.46 H new ATOM 0 HA3 GLY A 103 -8.236 1.638 0.414 1.00 0.46 H new ATOM 1635 N LEU A 104 -6.636 3.550 2.204 1.00 0.37 N ATOM 1636 CA LEU A 104 -6.559 4.314 3.443 1.00 0.34 C ATOM 1637 C LEU A 104 -7.196 5.687 3.263 1.00 0.34 C ATOM 1638 O LEU A 104 -7.319 6.180 2.139 1.00 0.49 O ATOM 1639 CB LEU A 104 -5.103 4.476 3.896 1.00 0.38 C ATOM 1640 CG LEU A 104 -4.247 5.442 3.063 1.00 0.46 C ATOM 1641 CD1 LEU A 104 -3.279 6.203 3.958 1.00 0.69 C ATOM 1642 CD2 LEU A 104 -3.493 4.684 1.978 1.00 0.66 C ATOM 0 H LEU A 104 -6.221 4.018 1.398 1.00 0.37 H new ATOM 0 HA LEU A 104 -7.105 3.764 4.210 1.00 0.34 H new ATOM 0 HB2 LEU A 104 -5.100 4.818 4.931 1.00 0.38 H new ATOM 0 HB3 LEU A 104 -4.627 3.495 3.883 1.00 0.38 H new ATOM 0 HG LEU A 104 -4.907 6.163 2.582 1.00 0.46 H new ATOM 0 HD11 LEU A 104 -2.680 6.883 3.352 1.00 0.69 H new ATOM 0 HD12 LEU A 104 -3.840 6.775 4.697 1.00 0.69 H new ATOM 0 HD13 LEU A 104 -2.622 5.497 4.467 1.00 0.69 H new ATOM 0 HD21 LEU A 104 -2.891 5.383 1.397 1.00 0.66 H new ATOM 0 HD22 LEU A 104 -2.842 3.941 2.439 1.00 0.66 H new ATOM 0 HD23 LEU A 104 -4.205 4.185 1.321 1.00 0.66 H new ATOM 1654 N LYS A 105 -7.601 6.299 4.367 1.00 0.39 N ATOM 1655 CA LYS A 105 -8.217 7.616 4.326 1.00 0.41 C ATOM 1656 C LYS A 105 -7.258 8.660 4.887 1.00 0.32 C ATOM 1657 O LYS A 105 -6.522 8.378 5.830 1.00 0.34 O ATOM 1658 CB LYS A 105 -9.526 7.623 5.122 1.00 0.58 C ATOM 1659 CG LYS A 105 -10.386 8.851 4.869 1.00 0.58 C ATOM 1660 CD LYS A 105 -10.783 8.953 3.404 1.00 0.61 C ATOM 1661 CE LYS A 105 -11.651 10.170 3.139 1.00 0.73 C ATOM 1662 NZ LYS A 105 -12.277 10.105 1.794 1.00 0.60 N ATOM 0 H LYS A 105 -7.513 5.903 5.303 1.00 0.39 H new ATOM 0 HA LYS A 105 -8.442 7.861 3.288 1.00 0.41 H new ATOM 0 HB2 LYS A 105 -10.099 6.730 4.871 1.00 0.58 H new ATOM 0 HB3 LYS A 105 -9.295 7.564 6.186 1.00 0.58 H new ATOM 0 HG2 LYS A 105 -11.282 8.805 5.489 1.00 0.58 H new ATOM 0 HG3 LYS A 105 -9.840 9.747 5.164 1.00 0.58 H new ATOM 0 HD2 LYS A 105 -9.886 9.005 2.787 1.00 0.61 H new ATOM 0 HD3 LYS A 105 -11.321 8.052 3.109 1.00 0.61 H new ATOM 0 HE2 LYS A 105 -12.428 10.238 3.901 1.00 0.73 H new ATOM 0 HE3 LYS A 105 -11.047 11.074 3.218 1.00 0.73 H new ATOM 0 HZ1 LYS A 105 -12.723 11.019 1.574 1.00 0.60 H new ATOM 0 HZ2 LYS A 105 -11.549 9.895 1.082 1.00 0.60 H new ATOM 0 HZ3 LYS A 105 -12.999 9.356 1.783 1.00 0.60 H new ATOM 1676 N LYS A 106 -7.275 9.859 4.309 1.00 0.36 N ATOM 1677 CA LYS A 106 -6.402 10.953 4.753 1.00 0.46 C ATOM 1678 C LYS A 106 -6.364 11.063 6.280 1.00 0.51 C ATOM 1679 O LYS A 106 -5.330 11.398 6.861 1.00 0.67 O ATOM 1680 CB LYS A 106 -6.857 12.282 4.138 1.00 0.60 C ATOM 1681 CG LYS A 106 -8.328 12.601 4.371 1.00 0.67 C ATOM 1682 CD LYS A 106 -8.815 13.705 3.442 1.00 0.90 C ATOM 1683 CE LYS A 106 -10.227 14.155 3.792 1.00 1.14 C ATOM 1684 NZ LYS A 106 -10.715 15.232 2.886 1.00 1.43 N ATOM 0 H LYS A 106 -7.885 10.102 3.529 1.00 0.36 H new ATOM 0 HA LYS A 106 -5.392 10.727 4.411 1.00 0.46 H new ATOM 0 HB2 LYS A 106 -6.251 13.088 4.551 1.00 0.60 H new ATOM 0 HB3 LYS A 106 -6.666 12.258 3.065 1.00 0.60 H new ATOM 0 HG2 LYS A 106 -8.925 11.703 4.214 1.00 0.67 H new ATOM 0 HG3 LYS A 106 -8.475 12.905 5.407 1.00 0.67 H new ATOM 0 HD2 LYS A 106 -8.137 14.556 3.502 1.00 0.90 H new ATOM 0 HD3 LYS A 106 -8.791 13.350 2.412 1.00 0.90 H new ATOM 0 HE2 LYS A 106 -10.903 13.302 3.736 1.00 1.14 H new ATOM 0 HE3 LYS A 106 -10.248 14.512 4.822 1.00 1.14 H new ATOM 0 HZ1 LYS A 106 -11.679 15.507 3.161 1.00 1.43 H new ATOM 0 HZ2 LYS A 106 -10.086 16.057 2.957 1.00 1.43 H new ATOM 0 HZ3 LYS A 106 -10.721 14.885 1.906 1.00 1.43 H new ATOM 1698 N ASN A 107 -7.498 10.790 6.920 1.00 0.53 N ATOM 1699 CA ASN A 107 -7.601 10.839 8.378 1.00 0.70 C ATOM 1700 C ASN A 107 -6.666 9.815 9.040 1.00 0.65 C ATOM 1701 O ASN A 107 -6.275 9.983 10.199 1.00 0.82 O ATOM 1702 CB ASN A 107 -9.056 10.586 8.807 1.00 0.83 C ATOM 1703 CG ASN A 107 -9.177 9.648 9.998 1.00 1.04 C ATOM 1704 OD1 ASN A 107 -9.154 8.425 9.842 1.00 1.17 O ATOM 1705 ND2 ASN A 107 -9.312 10.207 11.190 1.00 1.38 N ATOM 0 H ASN A 107 -8.365 10.531 6.449 1.00 0.53 H new ATOM 0 HA ASN A 107 -7.294 11.832 8.708 1.00 0.70 H new ATOM 0 HB2 ASN A 107 -9.526 11.538 9.054 1.00 0.83 H new ATOM 0 HB3 ASN A 107 -9.608 10.167 7.966 1.00 0.83 H new ATOM 0 HD21 ASN A 107 -9.402 9.622 12.021 1.00 1.38 H new ATOM 0 HD22 ASN A 107 -9.326 11.223 11.278 1.00 1.38 H new ATOM 1712 N GLY A 108 -6.313 8.762 8.303 1.00 0.49 N ATOM 1713 CA GLY A 108 -5.444 7.727 8.830 1.00 0.55 C ATOM 1714 C GLY A 108 -6.108 6.361 8.799 1.00 0.52 C ATOM 1715 O GLY A 108 -5.460 5.343 8.545 1.00 1.00 O ATOM 0 H GLY A 108 -6.618 8.609 7.342 1.00 0.49 H new ATOM 0 HA2 GLY A 108 -4.522 7.696 8.249 1.00 0.55 H new ATOM 0 HA3 GLY A 108 -5.167 7.973 9.855 1.00 0.55 H new ATOM 1719 N SER A 109 -7.411 6.338 9.055 1.00 0.52 N ATOM 1720 CA SER A 109 -8.172 5.099 9.056 1.00 0.56 C ATOM 1721 C SER A 109 -8.094 4.415 7.691 1.00 0.51 C ATOM 1722 O SER A 109 -8.264 5.059 6.650 1.00 0.81 O ATOM 1723 CB SER A 109 -9.629 5.381 9.422 1.00 0.75 C ATOM 1724 OG SER A 109 -9.719 6.167 10.601 1.00 0.97 O ATOM 0 H SER A 109 -7.963 7.170 9.265 1.00 0.52 H new ATOM 0 HA SER A 109 -7.741 4.429 9.800 1.00 0.56 H new ATOM 0 HB2 SER A 109 -10.120 5.899 8.598 1.00 0.75 H new ATOM 0 HB3 SER A 109 -10.159 4.440 9.568 1.00 0.75 H new ATOM 0 HG SER A 109 -9.759 7.116 10.359 1.00 0.97 H new ATOM 1730 N CYS A 110 -7.832 3.115 7.700 1.00 0.37 N ATOM 1731 CA CYS A 110 -7.737 2.339 6.468 1.00 0.38 C ATOM 1732 C CYS A 110 -8.972 1.456 6.304 1.00 0.36 C ATOM 1733 O CYS A 110 -9.667 1.166 7.285 1.00 0.54 O ATOM 1734 CB CYS A 110 -6.467 1.487 6.476 1.00 0.47 C ATOM 1735 SG CYS A 110 -4.959 2.421 6.829 1.00 0.61 S ATOM 0 H CYS A 110 -7.681 2.572 8.550 1.00 0.37 H new ATOM 0 HA CYS A 110 -7.688 3.026 5.623 1.00 0.38 H new ATOM 0 HB2 CYS A 110 -6.576 0.697 7.220 1.00 0.47 H new ATOM 0 HB3 CYS A 110 -6.362 1.000 5.507 1.00 0.47 H new ATOM 0 HG CYS A 110 -5.264 3.516 7.459 1.00 0.61 H new ATOM 1741 N LYS A 111 -9.255 1.043 5.072 1.00 0.38 N ATOM 1742 CA LYS A 111 -10.414 0.197 4.793 1.00 0.44 C ATOM 1743 C LYS A 111 -10.053 -0.925 3.820 1.00 0.47 C ATOM 1744 O LYS A 111 -9.979 -0.707 2.605 1.00 0.88 O ATOM 1745 CB LYS A 111 -11.569 1.032 4.231 1.00 0.60 C ATOM 1746 CG LYS A 111 -11.991 2.180 5.137 1.00 0.69 C ATOM 1747 CD LYS A 111 -12.517 1.678 6.476 1.00 0.79 C ATOM 1748 CE LYS A 111 -12.289 2.696 7.584 1.00 0.94 C ATOM 1749 NZ LYS A 111 -11.588 2.094 8.748 1.00 1.27 N ATOM 0 H LYS A 111 -8.699 1.280 4.250 1.00 0.38 H new ATOM 0 HA LYS A 111 -10.732 -0.254 5.733 1.00 0.44 H new ATOM 0 HB2 LYS A 111 -11.276 1.435 3.261 1.00 0.60 H new ATOM 0 HB3 LYS A 111 -12.427 0.381 4.060 1.00 0.60 H new ATOM 0 HG2 LYS A 111 -11.142 2.842 5.305 1.00 0.69 H new ATOM 0 HG3 LYS A 111 -12.762 2.770 4.641 1.00 0.69 H new ATOM 0 HD2 LYS A 111 -13.582 1.463 6.392 1.00 0.79 H new ATOM 0 HD3 LYS A 111 -12.023 0.742 6.734 1.00 0.79 H new ATOM 0 HE2 LYS A 111 -11.703 3.529 7.197 1.00 0.94 H new ATOM 0 HE3 LYS A 111 -13.247 3.103 7.907 1.00 0.94 H new ATOM 0 HZ1 LYS A 111 -11.450 2.817 9.482 1.00 1.27 H new ATOM 0 HZ2 LYS A 111 -12.159 1.315 9.132 1.00 1.27 H new ATOM 0 HZ3 LYS A 111 -10.663 1.728 8.445 1.00 1.27 H new ATOM 1763 N ARG A 112 -9.808 -2.113 4.367 1.00 0.36 N ATOM 1764 CA ARG A 112 -9.464 -3.286 3.566 1.00 0.36 C ATOM 1765 C ARG A 112 -10.361 -4.470 3.930 1.00 0.37 C ATOM 1766 O ARG A 112 -10.954 -5.098 3.055 1.00 0.47 O ATOM 1767 CB ARG A 112 -7.991 -3.663 3.777 1.00 0.39 C ATOM 1768 CG ARG A 112 -7.449 -4.665 2.762 1.00 0.42 C ATOM 1769 CD ARG A 112 -7.927 -6.087 3.033 1.00 0.55 C ATOM 1770 NE ARG A 112 -7.333 -6.666 4.246 1.00 0.81 N ATOM 1771 CZ ARG A 112 -7.810 -7.752 4.873 1.00 1.24 C ATOM 1772 NH1 ARG A 112 -8.925 -8.346 4.443 1.00 1.69 N ATOM 1773 NH2 ARG A 112 -7.181 -8.238 5.942 1.00 1.57 N ATOM 0 H ARG A 112 -9.842 -2.290 5.371 1.00 0.36 H new ATOM 0 HA ARG A 112 -9.621 -3.039 2.516 1.00 0.36 H new ATOM 0 HB2 ARG A 112 -7.386 -2.757 3.735 1.00 0.39 H new ATOM 0 HB3 ARG A 112 -7.874 -4.078 4.778 1.00 0.39 H new ATOM 0 HG2 ARG A 112 -7.758 -4.366 1.760 1.00 0.42 H new ATOM 0 HG3 ARG A 112 -6.359 -4.642 2.780 1.00 0.42 H new ATOM 0 HD2 ARG A 112 -9.013 -6.088 3.129 1.00 0.55 H new ATOM 0 HD3 ARG A 112 -7.682 -6.717 2.178 1.00 0.55 H new ATOM 0 HE ARG A 112 -6.506 -6.214 4.636 1.00 0.81 H new ATOM 0 HH11 ARG A 112 -9.421 -7.975 3.632 1.00 1.69 H new ATOM 0 HH12 ARG A 112 -9.282 -9.171 4.925 1.00 1.69 H new ATOM 0 HH21 ARG A 112 -6.335 -7.784 6.286 1.00 1.57 H new ATOM 0 HH22 ARG A 112 -7.546 -9.064 6.417 1.00 1.57 H new ATOM 1787 N GLY A 113 -10.454 -4.766 5.223 1.00 0.36 N ATOM 1788 CA GLY A 113 -11.261 -5.887 5.679 1.00 0.43 C ATOM 1789 C GLY A 113 -12.736 -5.553 5.805 1.00 0.41 C ATOM 1790 O GLY A 113 -13.555 -6.118 5.079 1.00 0.46 O ATOM 0 H GLY A 113 -9.984 -4.249 5.966 1.00 0.36 H new ATOM 0 HA2 GLY A 113 -11.142 -6.718 4.984 1.00 0.43 H new ATOM 0 HA3 GLY A 113 -10.888 -6.225 6.646 1.00 0.43 H new ATOM 1794 N PRO A 114 -13.109 -4.637 6.726 1.00 0.44 N ATOM 1795 CA PRO A 114 -14.502 -4.235 6.944 1.00 0.50 C ATOM 1796 C PRO A 114 -15.323 -4.216 5.656 1.00 0.41 C ATOM 1797 O PRO A 114 -16.379 -4.848 5.569 1.00 0.45 O ATOM 1798 CB PRO A 114 -14.346 -2.829 7.517 1.00 0.62 C ATOM 1799 CG PRO A 114 -13.079 -2.887 8.305 1.00 0.71 C ATOM 1800 CD PRO A 114 -12.198 -3.924 7.643 1.00 0.52 C ATOM 0 HA PRO A 114 -15.042 -4.927 7.591 1.00 0.50 H new ATOM 0 HB2 PRO A 114 -14.288 -2.082 6.726 1.00 0.62 H new ATOM 0 HB3 PRO A 114 -15.194 -2.560 8.147 1.00 0.62 H new ATOM 0 HG2 PRO A 114 -12.587 -1.914 8.318 1.00 0.71 H new ATOM 0 HG3 PRO A 114 -13.281 -3.156 9.342 1.00 0.71 H new ATOM 0 HD2 PRO A 114 -11.372 -3.460 7.104 1.00 0.52 H new ATOM 0 HD3 PRO A 114 -11.760 -4.601 8.376 1.00 0.52 H new ATOM 1808 N ARG A 115 -14.830 -3.496 4.657 1.00 0.38 N ATOM 1809 CA ARG A 115 -15.497 -3.401 3.367 1.00 0.39 C ATOM 1810 C ARG A 115 -14.616 -2.652 2.379 1.00 0.44 C ATOM 1811 O ARG A 115 -14.112 -1.569 2.683 1.00 0.81 O ATOM 1812 CB ARG A 115 -16.851 -2.695 3.494 1.00 0.51 C ATOM 1813 CG ARG A 115 -17.694 -2.770 2.228 1.00 0.57 C ATOM 1814 CD ARG A 115 -18.988 -1.981 2.366 1.00 0.69 C ATOM 1815 NE ARG A 115 -18.740 -0.545 2.523 1.00 0.90 N ATOM 1816 CZ ARG A 115 -19.563 0.418 2.095 1.00 1.11 C ATOM 1817 NH1 ARG A 115 -20.729 0.110 1.520 1.00 1.30 N ATOM 1818 NH2 ARG A 115 -19.220 1.697 2.255 1.00 1.47 N ATOM 0 H ARG A 115 -13.962 -2.965 4.718 1.00 0.38 H new ATOM 0 HA ARG A 115 -15.672 -4.413 3.003 1.00 0.39 H new ATOM 0 HB2 ARG A 115 -17.408 -3.139 4.319 1.00 0.51 H new ATOM 0 HB3 ARG A 115 -16.684 -1.648 3.749 1.00 0.51 H new ATOM 0 HG2 ARG A 115 -17.120 -2.384 1.385 1.00 0.57 H new ATOM 0 HG3 ARG A 115 -17.925 -3.812 2.006 1.00 0.57 H new ATOM 0 HD2 ARG A 115 -19.610 -2.148 1.487 1.00 0.69 H new ATOM 0 HD3 ARG A 115 -19.547 -2.349 3.226 1.00 0.69 H new ATOM 0 HE ARG A 115 -17.880 -0.260 2.991 1.00 0.90 H new ATOM 0 HH11 ARG A 115 -20.998 -0.867 1.404 1.00 1.30 H new ATOM 0 HH12 ARG A 115 -21.350 0.852 1.197 1.00 1.30 H new ATOM 0 HH21 ARG A 115 -18.334 1.936 2.702 1.00 1.47 H new ATOM 0 HH22 ARG A 115 -19.843 2.437 1.931 1.00 1.47 H new ATOM 1832 N THR A 116 -14.427 -3.227 1.204 1.00 0.36 N ATOM 1833 CA THR A 116 -13.606 -2.615 0.183 1.00 0.38 C ATOM 1834 C THR A 116 -14.132 -2.983 -1.207 1.00 0.39 C ATOM 1835 O THR A 116 -14.209 -4.160 -1.561 1.00 0.51 O ATOM 1836 CB THR A 116 -12.125 -3.036 0.347 1.00 0.45 C ATOM 1837 OG1 THR A 116 -11.266 -2.137 -0.369 1.00 0.57 O ATOM 1838 CG2 THR A 116 -11.888 -4.465 -0.131 1.00 0.58 C ATOM 0 H THR A 116 -14.835 -4.122 0.936 1.00 0.36 H new ATOM 0 HA THR A 116 -13.658 -1.532 0.294 1.00 0.38 H new ATOM 0 HB THR A 116 -11.891 -2.992 1.411 1.00 0.45 H new ATOM 0 HG1 THR A 116 -10.346 -2.474 -0.343 1.00 0.57 H new ATOM 0 HG21 THR A 116 -10.837 -4.723 0.000 1.00 0.58 H new ATOM 0 HG22 THR A 116 -12.505 -5.150 0.450 1.00 0.58 H new ATOM 0 HG23 THR A 116 -12.152 -4.544 -1.186 1.00 0.58 H new ATOM 1846 N HIS A 117 -14.530 -1.968 -1.967 1.00 0.37 N ATOM 1847 CA HIS A 117 -15.066 -2.158 -3.319 1.00 0.39 C ATOM 1848 C HIS A 117 -15.630 -0.840 -3.830 1.00 0.36 C ATOM 1849 O HIS A 117 -15.173 -0.305 -4.838 1.00 0.42 O ATOM 1850 CB HIS A 117 -16.167 -3.233 -3.345 1.00 0.43 C ATOM 1851 CG HIS A 117 -15.711 -4.572 -3.851 1.00 0.57 C ATOM 1852 ND1 HIS A 117 -15.925 -5.750 -3.165 1.00 0.85 N ATOM 1853 CD2 HIS A 117 -15.067 -4.921 -4.991 1.00 0.77 C ATOM 1854 CE1 HIS A 117 -15.433 -6.757 -3.859 1.00 0.95 C ATOM 1855 NE2 HIS A 117 -14.907 -6.285 -4.970 1.00 0.89 N ATOM 0 H HIS A 117 -14.492 -0.993 -1.669 1.00 0.37 H new ATOM 0 HA HIS A 117 -14.252 -2.493 -3.962 1.00 0.39 H new ATOM 0 HB2 HIS A 117 -16.564 -3.354 -2.337 1.00 0.43 H new ATOM 0 HB3 HIS A 117 -16.987 -2.881 -3.971 1.00 0.43 H new ATOM 0 HD2 HIS A 117 -14.740 -4.250 -5.772 1.00 0.77 H new ATOM 0 HE1 HIS A 117 -15.457 -7.796 -3.565 1.00 0.95 H new ATOM 0 HE2 HIS A 117 -14.455 -6.841 -5.696 1.00 0.89 H new ATOM 1864 N TYR A 118 -16.624 -0.322 -3.117 1.00 0.38 N ATOM 1865 CA TYR A 118 -17.251 0.942 -3.477 1.00 0.41 C ATOM 1866 C TYR A 118 -16.263 2.086 -3.290 1.00 0.39 C ATOM 1867 O TYR A 118 -15.436 2.054 -2.376 1.00 0.48 O ATOM 1868 CB TYR A 118 -18.490 1.192 -2.613 1.00 0.51 C ATOM 1869 CG TYR A 118 -19.657 0.278 -2.927 1.00 0.56 C ATOM 1870 CD1 TYR A 118 -19.770 -0.969 -2.324 1.00 0.75 C ATOM 1871 CD2 TYR A 118 -20.647 0.665 -3.821 1.00 0.79 C ATOM 1872 CE1 TYR A 118 -20.835 -1.802 -2.607 1.00 0.87 C ATOM 1873 CE2 TYR A 118 -21.713 -0.165 -4.109 1.00 0.92 C ATOM 1874 CZ TYR A 118 -21.803 -1.396 -3.499 1.00 0.86 C ATOM 1875 OH TYR A 118 -22.867 -2.227 -3.784 1.00 1.05 O ATOM 0 H TYR A 118 -17.013 -0.761 -2.283 1.00 0.38 H new ATOM 0 HA TYR A 118 -17.553 0.890 -4.523 1.00 0.41 H new ATOM 0 HB2 TYR A 118 -18.219 1.071 -1.564 1.00 0.51 H new ATOM 0 HB3 TYR A 118 -18.807 2.227 -2.742 1.00 0.51 H new ATOM 0 HD1 TYR A 118 -19.014 -1.292 -1.624 1.00 0.75 H new ATOM 0 HD2 TYR A 118 -20.582 1.631 -4.299 1.00 0.79 H new ATOM 0 HE1 TYR A 118 -20.908 -2.768 -2.130 1.00 0.87 H new ATOM 0 HE2 TYR A 118 -22.472 0.150 -4.809 1.00 0.92 H new ATOM 0 HH TYR A 118 -23.459 -1.790 -4.431 1.00 1.05 H new ATOM 1885 N GLY A 119 -16.359 3.092 -4.146 1.00 0.38 N ATOM 1886 CA GLY A 119 -15.465 4.227 -4.056 1.00 0.39 C ATOM 1887 C GLY A 119 -14.131 3.957 -4.722 1.00 0.37 C ATOM 1888 O GLY A 119 -13.473 2.952 -4.429 1.00 0.44 O ATOM 0 H GLY A 119 -17.041 3.142 -4.903 1.00 0.38 H new ATOM 0 HA2 GLY A 119 -15.933 5.094 -4.522 1.00 0.39 H new ATOM 0 HA3 GLY A 119 -15.302 4.477 -3.008 1.00 0.39 H new ATOM 1892 N GLN A 120 -13.724 4.860 -5.611 1.00 0.37 N ATOM 1893 CA GLN A 120 -12.458 4.731 -6.329 1.00 0.38 C ATOM 1894 C GLN A 120 -11.315 4.343 -5.389 1.00 0.37 C ATOM 1895 O GLN A 120 -10.371 3.675 -5.805 1.00 0.34 O ATOM 1896 CB GLN A 120 -12.115 6.034 -7.059 1.00 0.50 C ATOM 1897 CG GLN A 120 -13.023 6.323 -8.242 1.00 0.64 C ATOM 1898 CD GLN A 120 -12.535 7.482 -9.094 1.00 0.80 C ATOM 1899 OE1 GLN A 120 -11.768 7.293 -10.038 1.00 0.99 O ATOM 1900 NE2 GLN A 120 -12.980 8.688 -8.772 1.00 1.00 N ATOM 0 H GLN A 120 -14.257 5.695 -5.853 1.00 0.37 H new ATOM 0 HA GLN A 120 -12.580 3.933 -7.062 1.00 0.38 H new ATOM 0 HB2 GLN A 120 -12.175 6.863 -6.354 1.00 0.50 H new ATOM 0 HB3 GLN A 120 -11.083 5.986 -7.407 1.00 0.50 H new ATOM 0 HG2 GLN A 120 -13.098 5.430 -8.862 1.00 0.64 H new ATOM 0 HG3 GLN A 120 -14.026 6.544 -7.878 1.00 0.64 H new ATOM 0 HE21 GLN A 120 -13.615 8.803 -7.982 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -12.688 9.501 -9.314 1.00 1.00 H new ATOM 1909 N LYS A 121 -11.409 4.756 -4.123 1.00 0.51 N ATOM 1910 CA LYS A 121 -10.383 4.439 -3.126 1.00 0.61 C ATOM 1911 C LYS A 121 -9.978 2.962 -3.190 1.00 0.58 C ATOM 1912 O LYS A 121 -8.833 2.614 -2.912 1.00 0.70 O ATOM 1913 CB LYS A 121 -10.883 4.777 -1.709 1.00 0.89 C ATOM 1914 CG LYS A 121 -11.698 3.666 -1.047 1.00 1.06 C ATOM 1915 CD LYS A 121 -10.804 2.648 -0.343 1.00 1.39 C ATOM 1916 CE LYS A 121 -11.494 1.296 -0.202 1.00 1.34 C ATOM 1917 NZ LYS A 121 -10.548 0.203 0.169 1.00 1.70 N ATOM 0 H LYS A 121 -12.186 5.311 -3.764 1.00 0.51 H new ATOM 0 HA LYS A 121 -9.507 5.047 -3.354 1.00 0.61 H new ATOM 0 HB2 LYS A 121 -10.024 5.006 -1.078 1.00 0.89 H new ATOM 0 HB3 LYS A 121 -11.493 5.679 -1.757 1.00 0.89 H new ATOM 0 HG2 LYS A 121 -12.389 4.103 -0.326 1.00 1.06 H new ATOM 0 HG3 LYS A 121 -12.301 3.160 -1.800 1.00 1.06 H new ATOM 0 HD2 LYS A 121 -9.878 2.527 -0.904 1.00 1.39 H new ATOM 0 HD3 LYS A 121 -10.532 3.023 0.644 1.00 1.39 H new ATOM 0 HE2 LYS A 121 -12.275 1.368 0.555 1.00 1.34 H new ATOM 0 HE3 LYS A 121 -11.984 1.043 -1.142 1.00 1.34 H new ATOM 0 HZ1 LYS A 121 -10.989 -0.719 -0.026 1.00 1.70 H new ATOM 0 HZ2 LYS A 121 -9.676 0.295 -0.390 1.00 1.70 H new ATOM 0 HZ3 LYS A 121 -10.320 0.270 1.181 1.00 1.70 H new ATOM 1931 N ALA A 122 -10.925 2.096 -3.554 1.00 0.54 N ATOM 1932 CA ALA A 122 -10.664 0.664 -3.630 1.00 0.65 C ATOM 1933 C ALA A 122 -9.855 0.275 -4.872 1.00 0.57 C ATOM 1934 O ALA A 122 -9.284 -0.814 -4.913 1.00 0.72 O ATOM 1935 CB ALA A 122 -11.974 -0.108 -3.597 1.00 0.77 C ATOM 0 H ALA A 122 -11.878 2.364 -3.800 1.00 0.54 H new ATOM 0 HA ALA A 122 -10.060 0.403 -2.761 1.00 0.65 H new ATOM 0 HB1 ALA A 122 -11.768 -1.177 -3.654 1.00 0.77 H new ATOM 0 HB2 ALA A 122 -12.502 0.111 -2.669 1.00 0.77 H new ATOM 0 HB3 ALA A 122 -12.592 0.188 -4.444 1.00 0.77 H new ATOM 1941 N ILE A 123 -9.793 1.154 -5.873 1.00 0.43 N ATOM 1942 CA ILE A 123 -9.062 0.847 -7.103 1.00 0.48 C ATOM 1943 C ILE A 123 -8.433 2.103 -7.720 1.00 0.41 C ATOM 1944 O ILE A 123 -8.357 2.225 -8.944 1.00 0.61 O ATOM 1945 CB ILE A 123 -9.981 0.184 -8.169 1.00 0.61 C ATOM 1946 CG1 ILE A 123 -11.098 -0.646 -7.519 1.00 0.74 C ATOM 1947 CG2 ILE A 123 -9.160 -0.694 -9.105 1.00 0.77 C ATOM 1948 CD1 ILE A 123 -12.315 0.169 -7.129 1.00 0.79 C ATOM 0 H ILE A 123 -10.234 2.073 -5.858 1.00 0.43 H new ATOM 0 HA ILE A 123 -8.274 0.150 -6.817 1.00 0.48 H new ATOM 0 HB ILE A 123 -10.448 0.985 -8.742 1.00 0.61 H new ATOM 0 HG12 ILE A 123 -11.404 -1.431 -8.210 1.00 0.74 H new ATOM 0 HG13 ILE A 123 -10.702 -1.139 -6.631 1.00 0.74 H new ATOM 0 HG21 ILE A 123 -9.817 -1.151 -9.845 1.00 0.77 H new ATOM 0 HG22 ILE A 123 -8.411 -0.085 -9.611 1.00 0.77 H new ATOM 0 HG23 ILE A 123 -8.664 -1.475 -8.529 1.00 0.77 H new ATOM 0 HD11 ILE A 123 -13.061 -0.485 -6.677 1.00 0.79 H new ATOM 0 HD12 ILE A 123 -12.024 0.938 -6.413 1.00 0.79 H new ATOM 0 HD13 ILE A 123 -12.737 0.641 -8.017 1.00 0.79 H new ATOM 1960 N LEU A 124 -7.971 3.032 -6.887 1.00 0.31 N ATOM 1961 CA LEU A 124 -7.366 4.260 -7.393 1.00 0.29 C ATOM 1962 C LEU A 124 -6.066 4.582 -6.653 1.00 0.26 C ATOM 1963 O LEU A 124 -5.975 5.579 -5.932 1.00 0.38 O ATOM 1964 CB LEU A 124 -8.360 5.423 -7.281 1.00 0.33 C ATOM 1965 CG LEU A 124 -8.145 6.563 -8.282 1.00 0.50 C ATOM 1966 CD1 LEU A 124 -8.355 6.075 -9.709 1.00 0.63 C ATOM 1967 CD2 LEU A 124 -9.078 7.724 -7.978 1.00 0.58 C ATOM 0 H LEU A 124 -8.003 2.960 -5.870 1.00 0.31 H new ATOM 0 HA LEU A 124 -7.118 4.112 -8.444 1.00 0.29 H new ATOM 0 HB2 LEU A 124 -9.369 5.032 -7.412 1.00 0.33 H new ATOM 0 HB3 LEU A 124 -8.305 5.831 -6.272 1.00 0.33 H new ATOM 0 HG LEU A 124 -7.116 6.910 -8.185 1.00 0.50 H new ATOM 0 HD11 LEU A 124 -8.197 6.901 -10.403 1.00 0.63 H new ATOM 0 HD12 LEU A 124 -7.646 5.276 -9.928 1.00 0.63 H new ATOM 0 HD13 LEU A 124 -9.372 5.698 -9.819 1.00 0.63 H new ATOM 0 HD21 LEU A 124 -8.911 8.524 -8.699 1.00 0.58 H new ATOM 0 HD22 LEU A 124 -10.112 7.386 -8.044 1.00 0.58 H new ATOM 0 HD23 LEU A 124 -8.881 8.095 -6.972 1.00 0.58 H new ATOM 1979 N PHE A 125 -5.063 3.725 -6.841 1.00 0.20 N ATOM 1980 CA PHE A 125 -3.761 3.902 -6.207 1.00 0.23 C ATOM 1981 C PHE A 125 -2.715 4.260 -7.257 1.00 0.17 C ATOM 1982 O PHE A 125 -2.580 3.563 -8.269 1.00 0.18 O ATOM 1983 CB PHE A 125 -3.346 2.621 -5.475 1.00 0.33 C ATOM 1984 CG PHE A 125 -4.367 2.135 -4.487 1.00 0.30 C ATOM 1985 CD1 PHE A 125 -4.403 2.646 -3.200 1.00 0.40 C ATOM 1986 CD2 PHE A 125 -5.290 1.166 -4.848 1.00 0.41 C ATOM 1987 CE1 PHE A 125 -5.342 2.198 -2.291 1.00 0.51 C ATOM 1988 CE2 PHE A 125 -6.229 0.715 -3.944 1.00 0.51 C ATOM 1989 CZ PHE A 125 -6.256 1.233 -2.663 1.00 0.54 C ATOM 0 H PHE A 125 -5.130 2.896 -7.432 1.00 0.20 H new ATOM 0 HA PHE A 125 -3.833 4.713 -5.482 1.00 0.23 H new ATOM 0 HB2 PHE A 125 -3.161 1.837 -6.209 1.00 0.33 H new ATOM 0 HB3 PHE A 125 -2.405 2.799 -4.955 1.00 0.33 H new ATOM 0 HD1 PHE A 125 -3.690 3.402 -2.904 1.00 0.40 H new ATOM 0 HD2 PHE A 125 -5.274 0.760 -5.848 1.00 0.41 H new ATOM 0 HE1 PHE A 125 -5.361 2.603 -1.290 1.00 0.51 H new ATOM 0 HE2 PHE A 125 -6.942 -0.042 -4.237 1.00 0.51 H new ATOM 0 HZ PHE A 125 -6.992 0.883 -1.954 1.00 0.54 H new ATOM 1999 N LEU A 126 -1.974 5.337 -7.016 1.00 0.18 N ATOM 2000 CA LEU A 126 -0.948 5.784 -7.950 1.00 0.19 C ATOM 2001 C LEU A 126 0.412 5.902 -7.255 1.00 0.20 C ATOM 2002 O LEU A 126 0.660 6.853 -6.516 1.00 0.33 O ATOM 2003 CB LEU A 126 -1.347 7.131 -8.564 1.00 0.32 C ATOM 2004 CG LEU A 126 -0.384 7.689 -9.617 1.00 0.39 C ATOM 2005 CD1 LEU A 126 -0.185 6.687 -10.745 1.00 0.44 C ATOM 2006 CD2 LEU A 126 -0.905 9.010 -10.167 1.00 0.59 C ATOM 0 H LEU A 126 -2.065 5.916 -6.181 1.00 0.18 H new ATOM 0 HA LEU A 126 -0.861 5.042 -8.744 1.00 0.19 H new ATOM 0 HB2 LEU A 126 -2.332 7.026 -9.018 1.00 0.32 H new ATOM 0 HB3 LEU A 126 -1.443 7.862 -7.761 1.00 0.32 H new ATOM 0 HG LEU A 126 0.580 7.867 -9.141 1.00 0.39 H new ATOM 0 HD11 LEU A 126 0.502 7.101 -11.483 1.00 0.44 H new ATOM 0 HD12 LEU A 126 0.230 5.763 -10.342 1.00 0.44 H new ATOM 0 HD13 LEU A 126 -1.144 6.478 -11.219 1.00 0.44 H new ATOM 0 HD21 LEU A 126 -0.209 9.393 -10.914 1.00 0.59 H new ATOM 0 HD22 LEU A 126 -1.881 8.853 -10.627 1.00 0.59 H new ATOM 0 HD23 LEU A 126 -0.998 9.731 -9.355 1.00 0.59 H new ATOM 2018 N PRO A 127 1.295 4.911 -7.457 1.00 0.21 N ATOM 2019 CA PRO A 127 2.629 4.888 -6.881 1.00 0.29 C ATOM 2020 C PRO A 127 3.695 5.350 -7.879 1.00 0.25 C ATOM 2021 O PRO A 127 3.375 5.723 -9.011 1.00 0.38 O ATOM 2022 CB PRO A 127 2.794 3.401 -6.564 1.00 0.42 C ATOM 2023 CG PRO A 127 2.010 2.688 -7.629 1.00 0.43 C ATOM 2024 CD PRO A 127 1.067 3.700 -8.250 1.00 0.32 C ATOM 0 HA PRO A 127 2.745 5.554 -6.026 1.00 0.29 H new ATOM 0 HB2 PRO A 127 3.844 3.107 -6.583 1.00 0.42 H new ATOM 0 HB3 PRO A 127 2.415 3.165 -5.570 1.00 0.42 H new ATOM 0 HG2 PRO A 127 2.678 2.272 -8.383 1.00 0.43 H new ATOM 0 HG3 PRO A 127 1.452 1.855 -7.202 1.00 0.43 H new ATOM 0 HD2 PRO A 127 1.290 3.863 -9.304 1.00 0.32 H new ATOM 0 HD3 PRO A 127 0.030 3.371 -8.191 1.00 0.32 H new ATOM 2032 N LEU A 128 4.956 5.322 -7.461 1.00 0.22 N ATOM 2033 CA LEU A 128 6.050 5.722 -8.337 1.00 0.21 C ATOM 2034 C LEU A 128 6.434 4.559 -9.251 1.00 0.23 C ATOM 2035 O LEU A 128 6.445 3.403 -8.814 1.00 0.26 O ATOM 2036 CB LEU A 128 7.270 6.177 -7.524 1.00 0.23 C ATOM 2037 CG LEU A 128 8.373 6.863 -8.339 1.00 0.30 C ATOM 2038 CD1 LEU A 128 7.905 8.221 -8.839 1.00 0.38 C ATOM 2039 CD2 LEU A 128 9.640 7.011 -7.509 1.00 0.37 C ATOM 0 H LEU A 128 5.244 5.029 -6.528 1.00 0.22 H new ATOM 0 HA LEU A 128 5.714 6.563 -8.943 1.00 0.21 H new ATOM 0 HB2 LEU A 128 6.934 6.863 -6.746 1.00 0.23 H new ATOM 0 HB3 LEU A 128 7.697 5.309 -7.021 1.00 0.23 H new ATOM 0 HG LEU A 128 8.597 6.237 -9.202 1.00 0.30 H new ATOM 0 HD11 LEU A 128 8.702 8.691 -9.415 1.00 0.38 H new ATOM 0 HD12 LEU A 128 7.027 8.093 -9.472 1.00 0.38 H new ATOM 0 HD13 LEU A 128 7.650 8.854 -7.989 1.00 0.38 H new ATOM 0 HD21 LEU A 128 10.410 7.500 -8.105 1.00 0.37 H new ATOM 0 HD22 LEU A 128 9.428 7.613 -6.626 1.00 0.37 H new ATOM 0 HD23 LEU A 128 9.990 6.026 -7.201 1.00 0.37 H new ATOM 2051 N PRO A 129 6.747 4.845 -10.529 1.00 0.27 N ATOM 2052 CA PRO A 129 7.128 3.819 -11.517 1.00 0.33 C ATOM 2053 C PRO A 129 8.443 3.108 -11.170 1.00 0.33 C ATOM 2054 O PRO A 129 9.370 3.055 -11.981 1.00 0.67 O ATOM 2055 CB PRO A 129 7.273 4.613 -12.829 1.00 0.45 C ATOM 2056 CG PRO A 129 6.568 5.904 -12.588 1.00 0.47 C ATOM 2057 CD PRO A 129 6.732 6.190 -11.127 1.00 0.30 C ATOM 0 HA PRO A 129 6.388 3.020 -11.564 1.00 0.33 H new ATOM 0 HB2 PRO A 129 8.322 4.778 -13.075 1.00 0.45 H new ATOM 0 HB3 PRO A 129 6.830 4.073 -13.666 1.00 0.45 H new ATOM 0 HG2 PRO A 129 6.996 6.703 -13.194 1.00 0.47 H new ATOM 0 HG3 PRO A 129 5.514 5.830 -12.856 1.00 0.47 H new ATOM 0 HD2 PRO A 129 7.655 6.733 -10.923 1.00 0.30 H new ATOM 0 HD3 PRO A 129 5.913 6.796 -10.739 1.00 0.30 H new ATOM 2065 N VAL A 130 8.513 2.547 -9.969 1.00 0.37 N ATOM 2066 CA VAL A 130 9.701 1.837 -9.521 1.00 0.35 C ATOM 2067 C VAL A 130 9.317 0.491 -8.918 1.00 0.38 C ATOM 2068 O VAL A 130 8.865 0.406 -7.775 1.00 0.57 O ATOM 2069 CB VAL A 130 10.522 2.661 -8.503 1.00 0.40 C ATOM 2070 CG1 VAL A 130 11.341 3.719 -9.217 1.00 0.47 C ATOM 2071 CG2 VAL A 130 9.623 3.302 -7.460 1.00 0.44 C ATOM 0 H VAL A 130 7.756 2.571 -9.286 1.00 0.37 H new ATOM 0 HA VAL A 130 10.331 1.675 -10.396 1.00 0.35 H new ATOM 0 HB VAL A 130 11.199 1.979 -7.989 1.00 0.40 H new ATOM 0 HG11 VAL A 130 11.913 4.291 -8.486 1.00 0.47 H new ATOM 0 HG12 VAL A 130 12.024 3.239 -9.918 1.00 0.47 H new ATOM 0 HG13 VAL A 130 10.675 4.389 -9.761 1.00 0.47 H new ATOM 0 HG21 VAL A 130 10.230 3.874 -6.759 1.00 0.44 H new ATOM 0 HG22 VAL A 130 8.912 3.967 -7.951 1.00 0.44 H new ATOM 0 HG23 VAL A 130 9.081 2.526 -6.921 1.00 0.44 H new ATOM 2081 N SER A 131 9.471 -0.555 -9.714 1.00 0.34 N ATOM 2082 CA SER A 131 9.151 -1.909 -9.290 1.00 0.40 C ATOM 2083 C SER A 131 10.034 -2.914 -10.026 1.00 0.39 C ATOM 2084 O SER A 131 10.819 -2.536 -10.903 1.00 0.47 O ATOM 2085 CB SER A 131 7.678 -2.218 -9.570 1.00 0.50 C ATOM 2086 OG SER A 131 6.812 -1.327 -8.889 1.00 0.88 O ATOM 0 H SER A 131 9.820 -0.490 -10.670 1.00 0.34 H new ATOM 0 HA SER A 131 9.335 -1.988 -8.219 1.00 0.40 H new ATOM 0 HB2 SER A 131 7.492 -2.157 -10.642 1.00 0.50 H new ATOM 0 HB3 SER A 131 7.458 -3.241 -9.266 1.00 0.50 H new ATOM 0 HG SER A 131 5.881 -1.567 -9.078 1.00 0.88 H new ATOM 2092 N SER A 132 9.908 -4.187 -9.670 1.00 0.48 N ATOM 2093 CA SER A 132 10.683 -5.240 -10.313 1.00 0.54 C ATOM 2094 C SER A 132 9.903 -5.800 -11.503 1.00 0.49 C ATOM 2095 O SER A 132 9.115 -6.734 -11.356 1.00 0.96 O ATOM 2096 CB SER A 132 11.016 -6.350 -9.307 1.00 0.76 C ATOM 2097 OG SER A 132 11.580 -5.814 -8.114 1.00 1.03 O ATOM 0 H SER A 132 9.276 -4.515 -8.939 1.00 0.48 H new ATOM 0 HA SER A 132 11.622 -4.822 -10.676 1.00 0.54 H new ATOM 0 HB2 SER A 132 10.112 -6.908 -9.065 1.00 0.76 H new ATOM 0 HB3 SER A 132 11.715 -7.055 -9.758 1.00 0.76 H new ATOM 0 HG SER A 132 11.561 -4.835 -8.154 1.00 1.03 H new ATOM 2103 N ASP A 133 10.106 -5.199 -12.670 1.00 0.56 N ATOM 2104 CA ASP A 133 9.417 -5.623 -13.889 1.00 0.58 C ATOM 2105 C ASP A 133 9.742 -7.071 -14.232 1.00 0.63 C ATOM 2106 O ASP A 133 10.937 -7.429 -14.245 1.00 0.80 O ATOM 2107 CB ASP A 133 9.787 -4.720 -15.066 1.00 0.80 C ATOM 2108 CG ASP A 133 9.111 -5.156 -16.351 1.00 0.92 C ATOM 2109 OD1 ASP A 133 7.895 -4.912 -16.501 1.00 1.06 O ATOM 2110 OD2 ASP A 133 9.792 -5.738 -17.219 1.00 1.07 O ATOM 2111 OXT ASP A 133 8.800 -7.845 -14.489 1.00 0.75 O ATOM 0 H ASP A 133 10.744 -4.414 -12.800 1.00 0.56 H new ATOM 0 HA ASP A 133 8.346 -5.542 -13.702 1.00 0.58 H new ATOM 0 HB2 ASP A 133 9.503 -3.693 -14.838 1.00 0.80 H new ATOM 0 HB3 ASP A 133 10.868 -4.729 -15.204 1.00 0.80 H new TER 2116 ASP A 133 HETATM 2117 C1 IHP A 134 -16.753 4.363 3.760 1.00 3.43 C HETATM 2118 C2 IHP A 134 -16.717 3.855 2.311 1.00 3.47 C HETATM 2119 C3 IHP A 134 -17.193 4.981 1.357 1.00 3.73 C HETATM 2120 C4 IHP A 134 -16.252 6.185 1.495 1.00 3.79 C HETATM 2121 C5 IHP A 134 -16.258 6.701 2.942 1.00 3.74 C HETATM 2122 C6 IHP A 134 -15.830 5.585 3.903 1.00 3.46 C HETATM 2123 O11 IHP A 134 -16.308 3.349 4.667 1.00 3.86 O HETATM 2124 P1 IHP A 134 -17.273 2.850 5.867 1.00 4.66 P HETATM 2125 O21 IHP A 134 -18.596 2.363 5.409 1.00 4.95 O HETATM 2126 O31 IHP A 134 -17.432 4.103 6.855 1.00 4.87 O HETATM 2127 O41 IHP A 134 -16.470 1.726 6.677 1.00 5.52 O HETATM 2128 O12 IHP A 134 -15.410 3.443 1.940 1.00 3.50 O HETATM 2129 P2 IHP A 134 -15.105 1.918 1.498 1.00 4.17 P HETATM 2130 O22 IHP A 134 -14.162 1.306 2.462 1.00 4.60 O HETATM 2131 O32 IHP A 134 -16.512 1.145 1.476 1.00 4.76 O HETATM 2132 O42 IHP A 134 -14.498 1.991 0.023 1.00 4.45 O HETATM 2133 O13 IHP A 134 -17.164 4.526 0.006 1.00 4.32 O HETATM 2134 P3 IHP A 134 -18.504 4.537 -0.892 1.00 5.22 P HETATM 2135 O23 IHP A 134 -19.340 5.695 -0.500 1.00 5.53 O HETATM 2136 O33 IHP A 134 -19.238 3.137 -0.596 1.00 5.46 O HETATM 2137 O43 IHP A 134 -18.081 4.617 -2.442 1.00 6.00 O HETATM 2138 O14 IHP A 134 -16.684 7.247 0.637 1.00 4.60 O HETATM 2139 P4 IHP A 134 -15.707 7.820 -0.507 1.00 5.38 P HETATM 2140 O24 IHP A 134 -15.174 6.701 -1.321 1.00 5.62 O HETATM 2141 O34 IHP A 134 -14.547 8.586 0.305 1.00 5.44 O HETATM 2142 O44 IHP A 134 -16.525 8.878 -1.392 1.00 6.32 O HETATM 2143 O15 IHP A 134 -15.365 7.800 3.081 1.00 4.36 O HETATM 2144 P5 IHP A 134 -15.914 9.229 3.585 1.00 5.27 P HETATM 2145 O25 IHP A 134 -16.973 9.709 2.674 1.00 5.62 O HETATM 2146 O35 IHP A 134 -16.486 9.002 5.076 1.00 5.32 O HETATM 2147 O45 IHP A 134 -14.671 10.239 3.635 1.00 6.16 O HETATM 2148 O16 IHP A 134 -15.849 6.085 5.241 1.00 4.02 O HETATM 2149 P6 IHP A 134 -14.509 6.122 6.132 1.00 4.66 P HETATM 2150 O26 IHP A 134 -14.760 6.679 7.489 1.00 5.55 O HETATM 2151 O36 IHP A 134 -13.506 7.047 5.277 1.00 4.84 O HETATM 2152 O46 IHP A 134 -13.921 4.632 6.206 1.00 4.67 O HETATM 0 H6 IHP A 134 -14.818 5.264 3.657 1.00 3.46 H new HETATM 0 H5 IHP A 134 -17.270 7.025 3.184 1.00 3.74 H new HETATM 0 H4 IHP A 134 -15.247 5.865 1.219 1.00 3.79 H new HETATM 0 H3 IHP A 134 -18.212 5.263 1.620 1.00 3.73 H new HETATM 0 H2 IHP A 134 -17.380 2.993 2.236 1.00 3.47 H new HETATM 0 H1 IHP A 134 -17.782 4.632 3.999 1.00 3.43 H new