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 -159:sc= 2.02 USER MOD Set 1.2: A 121 LYS NZ :NH3+ -176:sc= 2.99 (180deg=1.97) USER MOD Set 2.1: A 107 ASN : amide:sc= 0 X(o=0.85,f=0.75) USER MOD Set 2.2: A 109 SER OG : rot 19:sc= 0.849 USER MOD Set 3.1: A 11 ASN : amide:sc= 0.0426 K(o=0.93,f=-14!) USER MOD Set 3.2: A 105 LYS NZ :NH3+ -170:sc= 0.889 (180deg=0) USER MOD Set 4.1: A 85 ASN : amide:sc= -0.365 K(o=-2.4,f=-7.2!) USER MOD Set 4.2: A 86 HIS : no HE2:sc= -2.07 K(o=-2.4,f=-7.8!) USER MOD Set 5.1: A 60 MET CE :methyl 152:sc= -3.35! (180deg=-2.38) USER MOD Set 5.2: A 92 SER OG : rot 180:sc= -0.0134 USER MOD Set 6.1: A 48 TYR OH : rot -31:sc= 2.48 USER MOD Set 6.2: A 50 LYS NZ :NH3+ -169:sc= 1.12 (180deg=0) USER MOD Set 6.3: A 57 TYR OH : rot 180:sc= 0.00464 USER MOD Set 7.1: A 34 HIS : no HE2:sc= 0.794 K(o=1.6,f=-11!) USER MOD Set 7.2: A 52 THR OG1 : rot 124:sc= 0.816 USER MOD Set 8.1: A 40 SER OG : rot 20:sc= 0.952 USER MOD Set 8.2: A 132 SER OG : rot -90:sc= -0.886 USER MOD Set 9.1: A 36 GLN : amide:sc= 0.619 X(o=0.85,f=0.61) USER MOD Set 9.2: A 38 GLN : amide:sc= 0.235 K(o=0.85,f=-0.0055) USER MOD Set10.1: A 8 TYR OH : rot -133:sc= 0.725 USER MOD Set10.2: A 14 HIS : no HD1:sc= -1.27 X(o=-0.55,f=-0.11) USER MOD Set11.1: A 5 LYS NZ :NH3+ 177:sc= 0.177 (180deg=-0.847) USER MOD Set11.2: A 131 SER OG : rot 76:sc= 1.81 USER MOD Single : A 1 TYR N :NH3+ -138:sc= 0.741 (180deg=-0.0184) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.17) USER MOD Single : A 9 CYS SG : rot -150:sc= -0.025 USER MOD Single : A 10 SER OG : rot 170:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 27 THR OG1 : rot -24:sc= -3.3! USER MOD Single : A 31 SER OG : rot 180:sc= -0.0688 USER MOD Single : A 33 GLN : amide:sc= -1.73 K(o=-1.7,f=-9.9!) USER MOD Single : A 43 SER OG : rot -85:sc= 1.18 USER MOD Single : A 51 SER OG : rot -150:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0.13 K(o=0.13,f=-4.6!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -36:sc= 0.879 USER MOD Single : A 70 GLN : amide:sc= -0.518 K(o=-0.52,f=-3.8!) USER MOD Single : A 71 THR OG1 : rot -24:sc= 0.717 USER MOD Single : A 73 ASN : amide:sc= -0.733 K(o=-0.73,f=-6.6!) USER MOD Single : A 76 CYS SG : rot 78:sc= 0.354 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -4.32! K(o=-4.3!,f=-0.31) USER MOD Single : A 89 THR OG1 : rot -15:sc= -1.54! USER MOD Single : A 90 TYR OH : rot 24:sc= 0.483 USER MOD Single : A 93 LYS NZ :NH3+ -110:sc= 1.1 (180deg=0.112) USER MOD Single : A 94 LYS NZ :NH3+ 150:sc= 1.85 (180deg=-0.427!) USER MOD Single : A 95 HIS : no HD1:sc= 1 K(o=1,f=-6.7!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.478 K(o=-0.48,f=-5.2!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 CYS SG : rot 163:sc= -0.328 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -2.32! C(o=-2.3!,f=-2.2!) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.771 K(o=-0.77,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 16.797 -1.424 -9.362 1.00 0.54 N ATOM 2 CA TYR A 1 15.393 -1.896 -9.258 1.00 0.51 C ATOM 3 C TYR A 1 14.641 -1.196 -8.119 1.00 0.43 C ATOM 4 O TYR A 1 13.570 -0.631 -8.340 1.00 0.59 O ATOM 5 CB TYR A 1 15.339 -3.424 -9.066 1.00 0.57 C ATOM 6 CG TYR A 1 16.093 -3.932 -7.855 1.00 0.55 C ATOM 7 CD1 TYR A 1 17.450 -4.211 -7.930 1.00 0.77 C ATOM 8 CD2 TYR A 1 15.449 -4.125 -6.640 1.00 0.53 C ATOM 9 CE1 TYR A 1 18.145 -4.670 -6.830 1.00 0.93 C ATOM 10 CE2 TYR A 1 16.139 -4.580 -5.537 1.00 0.65 C ATOM 11 CZ TYR A 1 17.486 -4.851 -5.637 1.00 0.85 C ATOM 12 OH TYR A 1 18.176 -5.301 -4.538 1.00 1.08 O ATOM 0 H1 TYR A 1 17.046 -1.292 -10.363 1.00 0.54 H new ATOM 0 H2 TYR A 1 16.897 -0.520 -8.858 1.00 0.54 H new ATOM 0 H3 TYR A 1 17.433 -2.129 -8.937 1.00 0.54 H new ATOM 0 HA TYR A 1 14.899 -1.640 -10.195 1.00 0.51 H new ATOM 0 HB2 TYR A 1 14.296 -3.730 -8.984 1.00 0.57 H new ATOM 0 HB3 TYR A 1 15.743 -3.904 -9.957 1.00 0.57 H new ATOM 0 HD1 TYR A 1 17.971 -4.066 -8.865 1.00 0.77 H new ATOM 0 HD2 TYR A 1 14.393 -3.916 -6.558 1.00 0.53 H new ATOM 0 HE1 TYR A 1 19.201 -4.886 -6.906 1.00 0.93 H new ATOM 0 HE2 TYR A 1 15.626 -4.724 -4.598 1.00 0.65 H new ATOM 0 HH TYR A 1 17.565 -5.374 -3.775 1.00 1.08 H new ATOM 24 N LYS A 2 15.213 -1.212 -6.912 1.00 0.35 N ATOM 25 CA LYS A 2 14.565 -0.601 -5.756 1.00 0.39 C ATOM 26 C LYS A 2 14.958 0.868 -5.622 1.00 0.34 C ATOM 27 O LYS A 2 16.143 1.210 -5.596 1.00 0.48 O ATOM 28 CB LYS A 2 14.889 -1.383 -4.465 1.00 0.54 C ATOM 29 CG LYS A 2 16.139 -0.921 -3.724 1.00 0.73 C ATOM 30 CD LYS A 2 17.410 -1.242 -4.495 1.00 1.05 C ATOM 31 CE LYS A 2 18.649 -0.712 -3.783 1.00 1.15 C ATOM 32 NZ LYS A 2 19.035 -1.559 -2.619 1.00 1.40 N ATOM 0 H LYS A 2 16.118 -1.639 -6.714 1.00 0.35 H new ATOM 0 HA LYS A 2 13.487 -0.645 -5.912 1.00 0.39 H new ATOM 0 HB2 LYS A 2 14.037 -1.308 -3.790 1.00 0.54 H new ATOM 0 HB3 LYS A 2 15.004 -2.437 -4.717 1.00 0.54 H new ATOM 0 HG2 LYS A 2 16.082 0.154 -3.551 1.00 0.73 H new ATOM 0 HG3 LYS A 2 16.178 -1.400 -2.745 1.00 0.73 H new ATOM 0 HD2 LYS A 2 17.496 -2.321 -4.621 1.00 1.05 H new ATOM 0 HD3 LYS A 2 17.350 -0.808 -5.493 1.00 1.05 H new ATOM 0 HE2 LYS A 2 19.479 -0.666 -4.488 1.00 1.15 H new ATOM 0 HE3 LYS A 2 18.463 0.307 -3.443 1.00 1.15 H new ATOM 0 HZ1 LYS A 2 19.882 -1.161 -2.166 1.00 1.40 H new ATOM 0 HZ2 LYS A 2 18.254 -1.583 -1.933 1.00 1.40 H new ATOM 0 HZ3 LYS A 2 19.239 -2.525 -2.945 1.00 1.40 H new ATOM 46 N LYS A 3 13.954 1.727 -5.555 1.00 0.28 N ATOM 47 CA LYS A 3 14.165 3.159 -5.421 1.00 0.26 C ATOM 48 C LYS A 3 13.057 3.768 -4.571 1.00 0.26 C ATOM 49 O LYS A 3 12.044 3.113 -4.320 1.00 0.29 O ATOM 50 CB LYS A 3 14.203 3.822 -6.801 1.00 0.30 C ATOM 51 CG LYS A 3 15.603 3.941 -7.379 1.00 0.49 C ATOM 52 CD LYS A 3 15.578 4.390 -8.834 1.00 0.55 C ATOM 53 CE LYS A 3 16.944 4.884 -9.294 1.00 0.78 C ATOM 54 NZ LYS A 3 18.032 3.921 -8.964 1.00 1.18 N ATOM 0 H LYS A 3 12.972 1.452 -5.592 1.00 0.28 H new ATOM 0 HA LYS A 3 15.122 3.331 -4.929 1.00 0.26 H new ATOM 0 HB2 LYS A 3 13.583 3.247 -7.488 1.00 0.30 H new ATOM 0 HB3 LYS A 3 13.762 4.816 -6.730 1.00 0.30 H new ATOM 0 HG2 LYS A 3 16.181 4.653 -6.789 1.00 0.49 H new ATOM 0 HG3 LYS A 3 16.110 2.979 -7.304 1.00 0.49 H new ATOM 0 HD2 LYS A 3 15.259 3.561 -9.465 1.00 0.55 H new ATOM 0 HD3 LYS A 3 14.843 5.185 -8.957 1.00 0.55 H new ATOM 0 HE2 LYS A 3 16.924 5.052 -10.371 1.00 0.78 H new ATOM 0 HE3 LYS A 3 17.157 5.845 -8.826 1.00 0.78 H new ATOM 0 HZ1 LYS A 3 18.918 4.231 -9.412 1.00 1.18 H new ATOM 0 HZ2 LYS A 3 18.160 3.882 -7.933 1.00 1.18 H new ATOM 0 HZ3 LYS A 3 17.778 2.976 -9.317 1.00 1.18 H new ATOM 68 N PRO A 4 13.241 5.014 -4.107 1.00 0.28 N ATOM 69 CA PRO A 4 12.251 5.709 -3.277 1.00 0.30 C ATOM 70 C PRO A 4 10.880 5.789 -3.948 1.00 0.27 C ATOM 71 O PRO A 4 10.585 6.733 -4.689 1.00 0.35 O ATOM 72 CB PRO A 4 12.851 7.106 -3.092 1.00 0.35 C ATOM 73 CG PRO A 4 14.313 6.915 -3.296 1.00 0.43 C ATOM 74 CD PRO A 4 14.436 5.845 -4.340 1.00 0.37 C ATOM 0 HA PRO A 4 12.071 5.187 -2.337 1.00 0.30 H new ATOM 0 HB2 PRO A 4 12.439 7.813 -3.812 1.00 0.35 H new ATOM 0 HB3 PRO A 4 12.637 7.501 -2.099 1.00 0.35 H new ATOM 0 HG2 PRO A 4 14.787 7.840 -3.624 1.00 0.43 H new ATOM 0 HG3 PRO A 4 14.803 6.617 -2.369 1.00 0.43 H new ATOM 0 HD2 PRO A 4 14.447 6.263 -5.347 1.00 0.37 H new ATOM 0 HD3 PRO A 4 15.355 5.271 -4.223 1.00 0.37 H new ATOM 82 N LYS A 5 10.062 4.782 -3.689 1.00 0.24 N ATOM 83 CA LYS A 5 8.718 4.699 -4.240 1.00 0.22 C ATOM 84 C LYS A 5 7.717 5.341 -3.280 1.00 0.25 C ATOM 85 O LYS A 5 8.010 5.520 -2.096 1.00 0.48 O ATOM 86 CB LYS A 5 8.356 3.224 -4.495 1.00 0.24 C ATOM 87 CG LYS A 5 7.050 3.012 -5.247 1.00 0.24 C ATOM 88 CD LYS A 5 6.876 1.551 -5.657 1.00 0.34 C ATOM 89 CE LYS A 5 5.567 1.319 -6.403 1.00 0.35 C ATOM 90 NZ LYS A 5 5.565 0.038 -7.166 1.00 0.40 N ATOM 0 H LYS A 5 10.312 3.996 -3.089 1.00 0.24 H new ATOM 0 HA LYS A 5 8.680 5.239 -5.186 1.00 0.22 H new ATOM 0 HB2 LYS A 5 9.164 2.758 -5.059 1.00 0.24 H new ATOM 0 HB3 LYS A 5 8.296 2.708 -3.537 1.00 0.24 H new ATOM 0 HG2 LYS A 5 6.213 3.318 -4.619 1.00 0.24 H new ATOM 0 HG3 LYS A 5 7.032 3.645 -6.134 1.00 0.24 H new ATOM 0 HD2 LYS A 5 7.712 1.250 -6.289 1.00 0.34 H new ATOM 0 HD3 LYS A 5 6.904 0.919 -4.769 1.00 0.34 H new ATOM 0 HE2 LYS A 5 4.742 1.315 -5.691 1.00 0.35 H new ATOM 0 HE3 LYS A 5 5.392 2.147 -7.089 1.00 0.35 H new ATOM 0 HZ1 LYS A 5 4.636 -0.098 -7.614 1.00 0.40 H new ATOM 0 HZ2 LYS A 5 6.302 0.070 -7.899 1.00 0.40 H new ATOM 0 HZ3 LYS A 5 5.756 -0.753 -6.518 1.00 0.40 H new ATOM 104 N LEU A 6 6.547 5.702 -3.788 1.00 0.22 N ATOM 105 CA LEU A 6 5.518 6.315 -2.957 1.00 0.23 C ATOM 106 C LEU A 6 4.167 5.646 -3.200 1.00 0.22 C ATOM 107 O LEU A 6 3.973 4.978 -4.220 1.00 0.25 O ATOM 108 CB LEU A 6 5.429 7.830 -3.217 1.00 0.27 C ATOM 109 CG LEU A 6 4.448 8.270 -4.312 1.00 0.32 C ATOM 110 CD1 LEU A 6 4.248 9.779 -4.270 1.00 0.45 C ATOM 111 CD2 LEU A 6 4.943 7.835 -5.685 1.00 0.50 C ATOM 0 H LEU A 6 6.286 5.582 -4.767 1.00 0.22 H new ATOM 0 HA LEU A 6 5.793 6.169 -1.912 1.00 0.23 H new ATOM 0 HB2 LEU A 6 5.147 8.322 -2.286 1.00 0.27 H new ATOM 0 HB3 LEU A 6 6.423 8.192 -3.481 1.00 0.27 H new ATOM 0 HG LEU A 6 3.488 7.788 -4.127 1.00 0.32 H new ATOM 0 HD11 LEU A 6 3.550 10.075 -5.053 1.00 0.45 H new ATOM 0 HD12 LEU A 6 3.847 10.066 -3.298 1.00 0.45 H new ATOM 0 HD13 LEU A 6 5.204 10.277 -4.429 1.00 0.45 H new ATOM 0 HD21 LEU A 6 4.233 8.157 -6.447 1.00 0.50 H new ATOM 0 HD22 LEU A 6 5.915 8.287 -5.881 1.00 0.50 H new ATOM 0 HD23 LEU A 6 5.036 6.749 -5.711 1.00 0.50 H new ATOM 123 N LEU A 7 3.250 5.819 -2.256 1.00 0.24 N ATOM 124 CA LEU A 7 1.916 5.244 -2.357 1.00 0.26 C ATOM 125 C LEU A 7 0.874 6.358 -2.323 1.00 0.22 C ATOM 126 O LEU A 7 0.415 6.762 -1.251 1.00 0.24 O ATOM 127 CB LEU A 7 1.674 4.250 -1.213 1.00 0.32 C ATOM 128 CG LEU A 7 0.278 3.625 -1.175 1.00 0.36 C ATOM 129 CD1 LEU A 7 0.048 2.745 -2.396 1.00 0.44 C ATOM 130 CD2 LEU A 7 0.087 2.825 0.105 1.00 0.46 C ATOM 0 H LEU A 7 3.409 6.358 -1.405 1.00 0.24 H new ATOM 0 HA LEU A 7 1.831 4.706 -3.301 1.00 0.26 H new ATOM 0 HB2 LEU A 7 2.411 3.450 -1.287 1.00 0.32 H new ATOM 0 HB3 LEU A 7 1.852 4.760 -0.266 1.00 0.32 H new ATOM 0 HG LEU A 7 -0.457 4.429 -1.192 1.00 0.36 H new ATOM 0 HD11 LEU A 7 -0.951 2.311 -2.349 1.00 0.44 H new ATOM 0 HD12 LEU A 7 0.140 3.346 -3.300 1.00 0.44 H new ATOM 0 HD13 LEU A 7 0.790 1.947 -2.414 1.00 0.44 H new ATOM 0 HD21 LEU A 7 -0.911 2.388 0.115 1.00 0.46 H new ATOM 0 HD22 LEU A 7 0.832 2.031 0.152 1.00 0.46 H new ATOM 0 HD23 LEU A 7 0.204 3.483 0.966 1.00 0.46 H new ATOM 142 N TYR A 8 0.512 6.862 -3.495 1.00 0.22 N ATOM 143 CA TYR A 8 -0.454 7.942 -3.591 1.00 0.21 C ATOM 144 C TYR A 8 -1.868 7.404 -3.784 1.00 0.21 C ATOM 145 O TYR A 8 -2.096 6.490 -4.580 1.00 0.29 O ATOM 146 CB TYR A 8 -0.083 8.872 -4.748 1.00 0.24 C ATOM 147 CG TYR A 8 -0.507 10.305 -4.534 1.00 0.28 C ATOM 148 CD1 TYR A 8 0.323 11.198 -3.873 1.00 0.46 C ATOM 149 CD2 TYR A 8 -1.735 10.765 -4.991 1.00 0.37 C ATOM 150 CE1 TYR A 8 -0.056 12.508 -3.673 1.00 0.56 C ATOM 151 CE2 TYR A 8 -2.121 12.075 -4.796 1.00 0.46 C ATOM 152 CZ TYR A 8 -1.277 12.942 -4.136 1.00 0.50 C ATOM 153 OH TYR A 8 -1.657 14.248 -3.933 1.00 0.63 O ATOM 0 H TYR A 8 0.874 6.538 -4.392 1.00 0.22 H new ATOM 0 HA TYR A 8 -0.432 8.502 -2.656 1.00 0.21 H new ATOM 0 HB2 TYR A 8 0.996 8.840 -4.897 1.00 0.24 H new ATOM 0 HB3 TYR A 8 -0.542 8.499 -5.664 1.00 0.24 H new ATOM 0 HD1 TYR A 8 1.282 10.861 -3.509 1.00 0.46 H new ATOM 0 HD2 TYR A 8 -2.398 10.087 -5.507 1.00 0.37 H new ATOM 0 HE1 TYR A 8 0.602 13.190 -3.156 1.00 0.56 H new ATOM 0 HE2 TYR A 8 -3.079 12.419 -5.158 1.00 0.46 H new ATOM 0 HH TYR A 8 -2.576 14.272 -3.592 1.00 0.63 H new ATOM 163 N CYS A 9 -2.811 7.971 -3.044 1.00 0.23 N ATOM 164 CA CYS A 9 -4.208 7.571 -3.136 1.00 0.27 C ATOM 165 C CYS A 9 -5.042 8.730 -3.674 1.00 0.28 C ATOM 166 O CYS A 9 -5.001 9.836 -3.132 1.00 0.30 O ATOM 167 CB CYS A 9 -4.727 7.134 -1.765 1.00 0.30 C ATOM 168 SG CYS A 9 -3.749 5.823 -0.994 1.00 0.37 S ATOM 0 H CYS A 9 -2.632 8.714 -2.369 1.00 0.23 H new ATOM 0 HA CYS A 9 -4.291 6.727 -3.820 1.00 0.27 H new ATOM 0 HB2 CYS A 9 -4.744 7.999 -1.102 1.00 0.30 H new ATOM 0 HB3 CYS A 9 -5.757 6.792 -1.870 1.00 0.30 H new ATOM 0 HG CYS A 9 -4.517 5.098 -0.236 1.00 0.37 H new ATOM 174 N SER A 10 -5.786 8.479 -4.743 1.00 0.37 N ATOM 175 CA SER A 10 -6.609 9.515 -5.354 1.00 0.42 C ATOM 176 C SER A 10 -7.896 9.728 -4.558 1.00 0.39 C ATOM 177 O SER A 10 -8.978 9.304 -4.974 1.00 0.51 O ATOM 178 CB SER A 10 -6.927 9.154 -6.810 1.00 0.56 C ATOM 179 OG SER A 10 -7.622 10.202 -7.466 1.00 1.23 O ATOM 0 H SER A 10 -5.837 7.570 -5.204 1.00 0.37 H new ATOM 0 HA SER A 10 -6.048 10.449 -5.343 1.00 0.42 H new ATOM 0 HB2 SER A 10 -6.001 8.941 -7.344 1.00 0.56 H new ATOM 0 HB3 SER A 10 -7.528 8.245 -6.838 1.00 0.56 H new ATOM 0 HG SER A 10 -7.668 10.013 -8.426 1.00 1.23 H new ATOM 185 N ASN A 11 -7.775 10.370 -3.399 1.00 0.33 N ATOM 186 CA ASN A 11 -8.939 10.646 -2.565 1.00 0.36 C ATOM 187 C ASN A 11 -8.815 12.002 -1.864 1.00 0.35 C ATOM 188 O ASN A 11 -9.268 12.170 -0.730 1.00 0.47 O ATOM 189 CB ASN A 11 -9.142 9.526 -1.537 1.00 0.44 C ATOM 190 CG ASN A 11 -10.572 9.458 -1.017 1.00 0.55 C ATOM 191 OD1 ASN A 11 -10.801 9.261 0.180 1.00 0.63 O ATOM 192 ND2 ASN A 11 -11.549 9.590 -1.907 1.00 0.75 N ATOM 0 H ASN A 11 -6.890 10.706 -3.019 1.00 0.33 H new ATOM 0 HA ASN A 11 -9.813 10.686 -3.216 1.00 0.36 H new ATOM 0 HB2 ASN A 11 -8.879 8.570 -1.990 1.00 0.44 H new ATOM 0 HB3 ASN A 11 -8.462 9.680 -0.699 1.00 0.44 H new ATOM 0 HD21 ASN A 11 -12.522 9.529 -1.608 1.00 0.75 H new ATOM 0 HD22 ASN A 11 -11.326 9.752 -2.889 1.00 0.75 H new ATOM 199 N GLY A 12 -8.205 12.969 -2.551 1.00 0.38 N ATOM 200 CA GLY A 12 -8.046 14.300 -1.991 1.00 0.45 C ATOM 201 C GLY A 12 -6.851 14.413 -1.066 1.00 0.46 C ATOM 202 O GLY A 12 -6.816 13.791 -0.003 1.00 0.87 O ATOM 0 H GLY A 12 -7.818 12.852 -3.487 1.00 0.38 H new ATOM 0 HA2 GLY A 12 -7.940 15.020 -2.803 1.00 0.45 H new ATOM 0 HA3 GLY A 12 -8.949 14.568 -1.443 1.00 0.45 H new ATOM 206 N GLY A 13 -5.876 15.217 -1.471 1.00 0.38 N ATOM 207 CA GLY A 13 -4.686 15.416 -0.668 1.00 0.36 C ATOM 208 C GLY A 13 -3.514 14.592 -1.157 1.00 0.31 C ATOM 209 O GLY A 13 -3.508 14.126 -2.299 1.00 0.40 O ATOM 0 H GLY A 13 -5.889 15.738 -2.348 1.00 0.38 H new ATOM 0 HA2 GLY A 13 -4.415 16.472 -0.681 1.00 0.36 H new ATOM 0 HA3 GLY A 13 -4.903 15.155 0.368 1.00 0.36 H new ATOM 213 N HIS A 14 -2.514 14.420 -0.303 1.00 0.26 N ATOM 214 CA HIS A 14 -1.327 13.641 -0.648 1.00 0.24 C ATOM 215 C HIS A 14 -1.144 12.505 0.358 1.00 0.22 C ATOM 216 O HIS A 14 -1.565 12.626 1.507 1.00 0.30 O ATOM 217 CB HIS A 14 -0.080 14.538 -0.674 1.00 0.28 C ATOM 218 CG HIS A 14 -0.037 15.494 -1.833 1.00 0.38 C ATOM 219 ND1 HIS A 14 -0.938 16.526 -1.997 1.00 0.60 N ATOM 220 CD2 HIS A 14 0.816 15.576 -2.884 1.00 0.53 C ATOM 221 CE1 HIS A 14 -0.643 17.195 -3.097 1.00 0.72 C ATOM 222 NE2 HIS A 14 0.414 16.640 -3.654 1.00 0.66 N ATOM 0 H HIS A 14 -2.499 14.811 0.639 1.00 0.26 H new ATOM 0 HA HIS A 14 -1.462 13.217 -1.643 1.00 0.24 H new ATOM 0 HB2 HIS A 14 -0.035 15.107 0.255 1.00 0.28 H new ATOM 0 HB3 HIS A 14 0.808 13.907 -0.704 1.00 0.28 H new ATOM 0 HD2 HIS A 14 1.656 14.925 -3.079 1.00 0.53 H new ATOM 0 HE1 HIS A 14 -1.178 18.053 -3.476 1.00 0.72 H new ATOM 0 HE2 HIS A 14 0.861 16.950 -4.517 1.00 0.66 H new ATOM 231 N PHE A 15 -0.524 11.406 -0.068 1.00 0.20 N ATOM 232 CA PHE A 15 -0.313 10.254 0.811 1.00 0.21 C ATOM 233 C PHE A 15 1.114 9.733 0.696 1.00 0.21 C ATOM 234 O PHE A 15 1.591 9.471 -0.408 1.00 0.23 O ATOM 235 CB PHE A 15 -1.298 9.129 0.468 1.00 0.27 C ATOM 236 CG PHE A 15 -2.737 9.475 0.734 1.00 0.29 C ATOM 237 CD1 PHE A 15 -3.481 10.178 -0.203 1.00 0.31 C ATOM 238 CD2 PHE A 15 -3.344 9.095 1.920 1.00 0.43 C ATOM 239 CE1 PHE A 15 -4.805 10.492 0.039 1.00 0.37 C ATOM 240 CE2 PHE A 15 -4.666 9.406 2.167 1.00 0.50 C ATOM 241 CZ PHE A 15 -5.398 10.104 1.225 1.00 0.45 C ATOM 0 H PHE A 15 -0.159 11.288 -1.013 1.00 0.20 H new ATOM 0 HA PHE A 15 -0.485 10.583 1.836 1.00 0.21 H new ATOM 0 HB2 PHE A 15 -1.186 8.870 -0.585 1.00 0.27 H new ATOM 0 HB3 PHE A 15 -1.036 8.242 1.044 1.00 0.27 H new ATOM 0 HD1 PHE A 15 -3.021 10.483 -1.131 1.00 0.31 H new ATOM 0 HD2 PHE A 15 -2.777 8.549 2.659 1.00 0.43 H new ATOM 0 HE1 PHE A 15 -5.375 11.039 -0.697 1.00 0.37 H new ATOM 0 HE2 PHE A 15 -5.128 9.104 3.095 1.00 0.50 H new ATOM 0 HZ PHE A 15 -6.433 10.346 1.416 1.00 0.45 H new ATOM 251 N LEU A 16 1.794 9.598 1.837 1.00 0.20 N ATOM 252 CA LEU A 16 3.170 9.094 1.865 1.00 0.22 C ATOM 253 C LEU A 16 3.775 9.187 3.272 1.00 0.23 C ATOM 254 O LEU A 16 4.841 9.766 3.465 1.00 0.33 O ATOM 255 CB LEU A 16 4.054 9.842 0.846 1.00 0.23 C ATOM 256 CG LEU A 16 3.856 11.361 0.773 1.00 0.24 C ATOM 257 CD1 LEU A 16 4.740 12.074 1.786 1.00 0.46 C ATOM 258 CD2 LEU A 16 4.136 11.869 -0.635 1.00 0.45 C ATOM 0 H LEU A 16 1.414 9.831 2.755 1.00 0.20 H new ATOM 0 HA LEU A 16 3.136 8.041 1.584 1.00 0.22 H new ATOM 0 HB2 LEU A 16 5.099 9.643 1.085 1.00 0.23 H new ATOM 0 HB3 LEU A 16 3.868 9.423 -0.143 1.00 0.23 H new ATOM 0 HG LEU A 16 2.817 11.580 1.019 1.00 0.24 H new ATOM 0 HD11 LEU A 16 4.581 13.150 1.714 1.00 0.46 H new ATOM 0 HD12 LEU A 16 4.487 11.736 2.791 1.00 0.46 H new ATOM 0 HD13 LEU A 16 5.786 11.847 1.579 1.00 0.46 H new ATOM 0 HD21 LEU A 16 3.990 12.949 -0.668 1.00 0.45 H new ATOM 0 HD22 LEU A 16 5.164 11.633 -0.909 1.00 0.45 H new ATOM 0 HD23 LEU A 16 3.454 11.389 -1.337 1.00 0.45 H new ATOM 270 N ARG A 17 3.097 8.596 4.257 1.00 0.24 N ATOM 271 CA ARG A 17 3.588 8.609 5.634 1.00 0.26 C ATOM 272 C ARG A 17 3.149 7.358 6.385 1.00 0.22 C ATOM 273 O ARG A 17 2.086 6.801 6.112 1.00 0.29 O ATOM 274 CB ARG A 17 3.101 9.859 6.368 1.00 0.34 C ATOM 275 CG ARG A 17 3.419 9.872 7.856 1.00 0.47 C ATOM 276 CD ARG A 17 3.247 11.262 8.458 1.00 0.53 C ATOM 277 NE ARG A 17 1.853 11.721 8.438 1.00 0.54 N ATOM 278 CZ ARG A 17 1.477 12.991 8.623 1.00 0.72 C ATOM 279 NH1 ARG A 17 2.389 13.936 8.846 1.00 0.85 N ATOM 280 NH2 ARG A 17 0.190 13.324 8.576 1.00 0.86 N ATOM 0 H ARG A 17 2.212 8.106 4.128 1.00 0.24 H new ATOM 0 HA ARG A 17 4.677 8.623 5.598 1.00 0.26 H new ATOM 0 HB2 ARG A 17 3.550 10.737 5.904 1.00 0.34 H new ATOM 0 HB3 ARG A 17 2.022 9.946 6.238 1.00 0.34 H new ATOM 0 HG2 ARG A 17 2.767 9.168 8.373 1.00 0.47 H new ATOM 0 HG3 ARG A 17 4.443 9.532 8.012 1.00 0.47 H new ATOM 0 HD2 ARG A 17 3.608 11.255 9.487 1.00 0.53 H new ATOM 0 HD3 ARG A 17 3.866 11.971 7.908 1.00 0.53 H new ATOM 0 HE ARG A 17 1.124 11.027 8.272 1.00 0.54 H new ATOM 0 HH11 ARG A 17 3.379 13.692 8.876 1.00 0.85 H new ATOM 0 HH12 ARG A 17 2.097 14.903 8.986 1.00 0.85 H new ATOM 0 HH21 ARG A 17 -0.516 12.609 8.398 1.00 0.86 H new ATOM 0 HH22 ARG A 17 -0.091 14.294 8.718 1.00 0.86 H new ATOM 294 N ILE A 18 3.982 6.920 7.322 1.00 0.21 N ATOM 295 CA ILE A 18 3.695 5.745 8.132 1.00 0.20 C ATOM 296 C ILE A 18 4.235 5.944 9.544 1.00 0.20 C ATOM 297 O ILE A 18 5.367 6.404 9.723 1.00 0.26 O ATOM 298 CB ILE A 18 4.302 4.457 7.518 1.00 0.26 C ATOM 299 CG1 ILE A 18 3.868 3.219 8.308 1.00 0.29 C ATOM 300 CG2 ILE A 18 5.822 4.540 7.459 1.00 0.33 C ATOM 301 CD1 ILE A 18 2.475 2.736 7.966 1.00 0.33 C ATOM 0 H ILE A 18 4.872 7.368 7.540 1.00 0.21 H new ATOM 0 HA ILE A 18 2.612 5.622 8.162 1.00 0.20 H new ATOM 0 HB ILE A 18 3.925 4.367 6.499 1.00 0.26 H new ATOM 0 HG12 ILE A 18 4.578 2.413 8.122 1.00 0.29 H new ATOM 0 HG13 ILE A 18 3.913 3.445 9.373 1.00 0.29 H new ATOM 0 HG21 ILE A 18 6.220 3.623 7.024 1.00 0.33 H new ATOM 0 HG22 ILE A 18 6.116 5.391 6.844 1.00 0.33 H new ATOM 0 HG23 ILE A 18 6.219 4.666 8.466 1.00 0.33 H new ATOM 0 HD11 ILE A 18 2.238 1.857 8.565 1.00 0.33 H new ATOM 0 HD12 ILE A 18 1.754 3.525 8.179 1.00 0.33 H new ATOM 0 HD13 ILE A 18 2.429 2.478 6.908 1.00 0.33 H new ATOM 313 N LEU A 19 3.417 5.621 10.538 1.00 0.21 N ATOM 314 CA LEU A 19 3.812 5.761 11.932 1.00 0.24 C ATOM 315 C LEU A 19 4.195 4.402 12.513 1.00 0.23 C ATOM 316 O LEU A 19 3.442 3.434 12.372 1.00 0.22 O ATOM 317 CB LEU A 19 2.679 6.384 12.757 1.00 0.30 C ATOM 318 CG LEU A 19 2.292 7.821 12.381 1.00 0.40 C ATOM 319 CD1 LEU A 19 3.524 8.711 12.323 1.00 0.54 C ATOM 320 CD2 LEU A 19 1.541 7.858 11.055 1.00 0.48 C ATOM 0 H LEU A 19 2.473 5.259 10.403 1.00 0.21 H new ATOM 0 HA LEU A 19 4.677 6.422 11.977 1.00 0.24 H new ATOM 0 HB2 LEU A 19 1.796 5.753 12.661 1.00 0.30 H new ATOM 0 HB3 LEU A 19 2.969 6.369 13.808 1.00 0.30 H new ATOM 0 HG LEU A 19 1.627 8.203 13.156 1.00 0.40 H new ATOM 0 HD11 LEU A 19 3.228 9.725 12.055 1.00 0.54 H new ATOM 0 HD12 LEU A 19 4.012 8.721 13.298 1.00 0.54 H new ATOM 0 HD13 LEU A 19 4.216 8.325 11.575 1.00 0.54 H new ATOM 0 HD21 LEU A 19 1.279 8.888 10.814 1.00 0.48 H new ATOM 0 HD22 LEU A 19 2.174 7.450 10.267 1.00 0.48 H new ATOM 0 HD23 LEU A 19 0.632 7.262 11.135 1.00 0.48 H new ATOM 332 N PRO A 20 5.361 4.320 13.185 1.00 0.29 N ATOM 333 CA PRO A 20 5.864 3.078 13.785 1.00 0.33 C ATOM 334 C PRO A 20 4.779 2.311 14.537 1.00 0.30 C ATOM 335 O PRO A 20 4.745 1.079 14.505 1.00 0.36 O ATOM 336 CB PRO A 20 6.964 3.550 14.750 1.00 0.41 C ATOM 337 CG PRO A 20 6.914 5.045 14.731 1.00 0.55 C ATOM 338 CD PRO A 20 6.284 5.431 13.427 1.00 0.38 C ATOM 0 HA PRO A 20 6.224 2.384 13.026 1.00 0.33 H new ATOM 0 HB2 PRO A 20 6.792 3.166 15.756 1.00 0.41 H new ATOM 0 HB3 PRO A 20 7.942 3.188 14.434 1.00 0.41 H new ATOM 0 HG2 PRO A 20 6.332 5.425 15.571 1.00 0.55 H new ATOM 0 HG3 PRO A 20 7.915 5.468 14.819 1.00 0.55 H new ATOM 0 HD2 PRO A 20 5.762 6.386 13.494 1.00 0.38 H new ATOM 0 HD3 PRO A 20 7.023 5.527 12.631 1.00 0.38 H new ATOM 346 N ASP A 21 3.893 3.046 15.211 1.00 0.27 N ATOM 347 CA ASP A 21 2.789 2.442 15.962 1.00 0.30 C ATOM 348 C ASP A 21 1.974 1.507 15.072 1.00 0.29 C ATOM 349 O ASP A 21 1.285 0.611 15.566 1.00 0.41 O ATOM 350 CB ASP A 21 1.863 3.525 16.531 1.00 0.36 C ATOM 351 CG ASP A 21 2.470 4.265 17.704 1.00 0.64 C ATOM 352 OD1 ASP A 21 3.455 5.002 17.503 1.00 0.95 O ATOM 353 OD2 ASP A 21 1.953 4.131 18.834 1.00 0.96 O ATOM 0 H ASP A 21 3.918 4.065 15.253 1.00 0.27 H new ATOM 0 HA ASP A 21 3.224 1.870 16.782 1.00 0.30 H new ATOM 0 HB2 ASP A 21 1.621 4.239 15.744 1.00 0.36 H new ATOM 0 HB3 ASP A 21 0.925 3.066 16.844 1.00 0.36 H new ATOM 358 N GLY A 22 2.044 1.727 13.762 1.00 0.24 N ATOM 359 CA GLY A 22 1.311 0.911 12.827 1.00 0.27 C ATOM 360 C GLY A 22 0.138 1.663 12.235 1.00 0.27 C ATOM 361 O GLY A 22 -1.018 1.273 12.418 1.00 0.35 O ATOM 0 H GLY A 22 2.603 2.465 13.334 1.00 0.24 H new ATOM 0 HA2 GLY A 22 1.976 0.585 12.028 1.00 0.27 H new ATOM 0 HA3 GLY A 22 0.952 0.013 13.330 1.00 0.27 H new ATOM 365 N THR A 23 0.429 2.760 11.543 1.00 0.24 N ATOM 366 CA THR A 23 -0.608 3.578 10.922 1.00 0.27 C ATOM 367 C THR A 23 -0.059 4.352 9.722 1.00 0.22 C ATOM 368 O THR A 23 1.081 4.825 9.746 1.00 0.25 O ATOM 369 CB THR A 23 -1.218 4.568 11.943 1.00 0.34 C ATOM 370 OG1 THR A 23 -1.622 3.869 13.136 1.00 0.47 O ATOM 371 CG2 THR A 23 -2.421 5.284 11.349 1.00 0.43 C ATOM 0 H THR A 23 1.378 3.104 11.398 1.00 0.24 H new ATOM 0 HA THR A 23 -1.389 2.901 10.574 1.00 0.27 H new ATOM 0 HB THR A 23 -0.455 5.305 12.193 1.00 0.34 H new ATOM 0 HG1 THR A 23 -2.005 4.506 13.775 1.00 0.47 H new ATOM 0 HG21 THR A 23 -2.833 5.975 12.085 1.00 0.43 H new ATOM 0 HG22 THR A 23 -2.113 5.839 10.463 1.00 0.43 H new ATOM 0 HG23 THR A 23 -3.180 4.552 11.073 1.00 0.43 H new ATOM 379 N VAL A 24 -0.874 4.455 8.674 1.00 0.25 N ATOM 380 CA VAL A 24 -0.512 5.168 7.454 1.00 0.24 C ATOM 381 C VAL A 24 -1.556 6.246 7.165 1.00 0.28 C ATOM 382 O VAL A 24 -2.754 6.008 7.337 1.00 0.37 O ATOM 383 CB VAL A 24 -0.404 4.200 6.249 1.00 0.29 C ATOM 384 CG1 VAL A 24 -1.682 3.389 6.081 1.00 0.37 C ATOM 385 CG2 VAL A 24 -0.071 4.954 4.967 1.00 0.32 C ATOM 0 H VAL A 24 -1.807 4.044 8.649 1.00 0.25 H new ATOM 0 HA VAL A 24 0.464 5.630 7.602 1.00 0.24 H new ATOM 0 HB VAL A 24 0.412 3.507 6.454 1.00 0.29 H new ATOM 0 HG11 VAL A 24 -1.578 2.718 5.228 1.00 0.37 H new ATOM 0 HG12 VAL A 24 -1.863 2.804 6.983 1.00 0.37 H new ATOM 0 HG13 VAL A 24 -2.521 4.064 5.912 1.00 0.37 H new ATOM 0 HG21 VAL A 24 -0.001 4.250 4.138 1.00 0.32 H new ATOM 0 HG22 VAL A 24 -0.855 5.682 4.759 1.00 0.32 H new ATOM 0 HG23 VAL A 24 0.882 5.470 5.085 1.00 0.32 H new ATOM 395 N ASP A 25 -1.111 7.429 6.744 1.00 0.28 N ATOM 396 CA ASP A 25 -2.035 8.526 6.459 1.00 0.35 C ATOM 397 C ASP A 25 -1.509 9.448 5.350 1.00 0.27 C ATOM 398 O ASP A 25 -0.502 9.148 4.697 1.00 0.26 O ATOM 399 CB ASP A 25 -2.320 9.325 7.741 1.00 0.50 C ATOM 400 CG ASP A 25 -1.270 10.378 8.042 1.00 0.53 C ATOM 401 OD1 ASP A 25 -0.065 10.052 8.032 1.00 1.28 O ATOM 402 OD2 ASP A 25 -1.649 11.539 8.307 1.00 1.19 O ATOM 0 H ASP A 25 -0.127 7.651 6.594 1.00 0.28 H new ATOM 0 HA ASP A 25 -2.966 8.089 6.097 1.00 0.35 H new ATOM 0 HB2 ASP A 25 -3.293 9.808 7.650 1.00 0.50 H new ATOM 0 HB3 ASP A 25 -2.384 8.636 8.583 1.00 0.50 H new ATOM 407 N GLY A 26 -2.208 10.567 5.144 1.00 0.27 N ATOM 408 CA GLY A 26 -1.835 11.517 4.110 1.00 0.26 C ATOM 409 C GLY A 26 -0.672 12.410 4.503 1.00 0.32 C ATOM 410 O GLY A 26 -0.579 12.867 5.647 1.00 0.72 O ATOM 0 H GLY A 26 -3.033 10.831 5.682 1.00 0.27 H new ATOM 0 HA2 GLY A 26 -1.574 10.972 3.203 1.00 0.26 H new ATOM 0 HA3 GLY A 26 -2.697 12.140 3.871 1.00 0.26 H new ATOM 414 N THR A 27 0.204 12.679 3.545 1.00 0.25 N ATOM 415 CA THR A 27 1.377 13.514 3.769 1.00 0.23 C ATOM 416 C THR A 27 1.931 14.003 2.429 1.00 0.23 C ATOM 417 O THR A 27 1.584 13.459 1.378 1.00 0.26 O ATOM 418 CB THR A 27 2.473 12.731 4.530 1.00 0.30 C ATOM 419 OG1 THR A 27 1.921 12.129 5.710 1.00 0.60 O ATOM 420 CG2 THR A 27 3.635 13.634 4.922 1.00 0.65 C ATOM 0 H THR A 27 0.122 12.325 2.592 1.00 0.25 H new ATOM 0 HA THR A 27 1.078 14.370 4.374 1.00 0.23 H new ATOM 0 HB THR A 27 2.849 11.957 3.861 1.00 0.30 H new ATOM 0 HG1 THR A 27 1.127 12.630 5.992 1.00 0.60 H new ATOM 0 HG21 THR A 27 4.386 13.050 5.455 1.00 0.65 H new ATOM 0 HG22 THR A 27 4.080 14.065 4.025 1.00 0.65 H new ATOM 0 HG23 THR A 27 3.272 14.434 5.567 1.00 0.65 H new ATOM 428 N ARG A 28 2.767 15.039 2.465 1.00 0.26 N ATOM 429 CA ARG A 28 3.364 15.587 1.252 1.00 0.29 C ATOM 430 C ARG A 28 4.887 15.598 1.364 1.00 0.29 C ATOM 431 O ARG A 28 5.438 16.050 2.370 1.00 0.39 O ATOM 432 CB ARG A 28 2.849 17.007 0.991 1.00 0.36 C ATOM 433 CG ARG A 28 3.354 18.039 1.986 1.00 0.44 C ATOM 434 CD ARG A 28 2.740 19.404 1.735 1.00 0.57 C ATOM 435 NE ARG A 28 1.338 19.464 2.155 1.00 0.66 N ATOM 436 CZ ARG A 28 0.939 19.579 3.428 1.00 0.85 C ATOM 437 NH1 ARG A 28 1.834 19.585 4.414 1.00 1.04 N ATOM 438 NH2 ARG A 28 -0.359 19.676 3.710 1.00 1.12 N ATOM 0 H ARG A 28 3.046 15.515 3.323 1.00 0.26 H new ATOM 0 HA ARG A 28 3.077 14.951 0.415 1.00 0.29 H new ATOM 0 HB2 ARG A 28 3.144 17.311 -0.013 1.00 0.36 H new ATOM 0 HB3 ARG A 28 1.759 16.997 1.014 1.00 0.36 H new ATOM 0 HG2 ARG A 28 3.118 17.714 2.999 1.00 0.44 H new ATOM 0 HG3 ARG A 28 4.440 18.110 1.918 1.00 0.44 H new ATOM 0 HD2 ARG A 28 3.311 20.162 2.271 1.00 0.57 H new ATOM 0 HD3 ARG A 28 2.811 19.643 0.674 1.00 0.57 H new ATOM 0 HE ARG A 28 0.620 19.415 1.432 1.00 0.66 H new ATOM 0 HH11 ARG A 28 2.828 19.502 4.201 1.00 1.04 H new ATOM 0 HH12 ARG A 28 1.526 19.673 5.382 1.00 1.04 H new ATOM 0 HH21 ARG A 28 -1.047 19.663 2.957 1.00 1.12 H new ATOM 0 HH22 ARG A 28 -0.665 19.764 4.679 1.00 1.12 H new ATOM 452 N ASP A 29 5.562 15.094 0.339 1.00 0.27 N ATOM 453 CA ASP A 29 7.023 15.057 0.330 1.00 0.29 C ATOM 454 C ASP A 29 7.541 14.869 -1.096 1.00 0.30 C ATOM 455 O ASP A 29 6.762 14.930 -2.056 1.00 0.37 O ATOM 456 CB ASP A 29 7.538 13.936 1.242 1.00 0.31 C ATOM 457 CG ASP A 29 8.847 14.300 1.915 1.00 0.39 C ATOM 458 OD1 ASP A 29 9.841 14.538 1.199 1.00 0.47 O ATOM 459 OD2 ASP A 29 8.882 14.375 3.162 1.00 0.53 O ATOM 0 H ASP A 29 5.124 14.705 -0.496 1.00 0.27 H new ATOM 0 HA ASP A 29 7.396 16.008 0.711 1.00 0.29 H new ATOM 0 HB2 ASP A 29 6.789 13.716 2.003 1.00 0.31 H new ATOM 0 HB3 ASP A 29 7.673 13.027 0.656 1.00 0.31 H new ATOM 464 N ARG A 30 8.845 14.658 -1.240 1.00 0.35 N ATOM 465 CA ARG A 30 9.449 14.467 -2.550 1.00 0.39 C ATOM 466 C ARG A 30 9.583 12.979 -2.857 1.00 0.37 C ATOM 467 O ARG A 30 10.677 12.412 -2.808 1.00 0.41 O ATOM 468 CB ARG A 30 10.816 15.161 -2.626 1.00 0.48 C ATOM 469 CG ARG A 30 11.340 15.309 -4.045 1.00 0.53 C ATOM 470 CD ARG A 30 10.439 16.206 -4.883 1.00 0.62 C ATOM 471 NE ARG A 30 10.589 15.959 -6.318 1.00 0.72 N ATOM 472 CZ ARG A 30 9.636 16.187 -7.228 1.00 0.86 C ATOM 473 NH1 ARG A 30 8.466 16.714 -6.864 1.00 1.07 N ATOM 474 NH2 ARG A 30 9.859 15.896 -8.505 1.00 1.02 N ATOM 0 H ARG A 30 9.504 14.615 -0.462 1.00 0.35 H new ATOM 0 HA ARG A 30 8.799 14.919 -3.299 1.00 0.39 H new ATOM 0 HB2 ARG A 30 10.740 16.148 -2.170 1.00 0.48 H new ATOM 0 HB3 ARG A 30 11.537 14.593 -2.038 1.00 0.48 H new ATOM 0 HG2 ARG A 30 12.347 15.725 -4.020 1.00 0.53 H new ATOM 0 HG3 ARG A 30 11.412 14.327 -4.511 1.00 0.53 H new ATOM 0 HD2 ARG A 30 9.400 16.044 -4.595 1.00 0.62 H new ATOM 0 HD3 ARG A 30 10.670 17.250 -4.670 1.00 0.62 H new ATOM 0 HE ARG A 30 11.481 15.588 -6.646 1.00 0.72 H new ATOM 0 HH11 ARG A 30 8.293 16.946 -5.886 1.00 1.07 H new ATOM 0 HH12 ARG A 30 7.744 16.885 -7.564 1.00 1.07 H new ATOM 0 HH21 ARG A 30 10.755 15.500 -8.789 1.00 1.02 H new ATOM 0 HH22 ARG A 30 9.134 16.069 -9.202 1.00 1.02 H new ATOM 488 N SER A 31 8.449 12.348 -3.151 1.00 0.44 N ATOM 489 CA SER A 31 8.403 10.923 -3.473 1.00 0.51 C ATOM 490 C SER A 31 8.546 10.069 -2.209 1.00 0.51 C ATOM 491 O SER A 31 7.690 9.234 -1.916 1.00 0.86 O ATOM 492 CB SER A 31 9.500 10.556 -4.485 1.00 0.65 C ATOM 493 OG SER A 31 9.651 11.566 -5.477 1.00 0.74 O ATOM 0 H SER A 31 7.539 12.808 -3.173 1.00 0.44 H new ATOM 0 HA SER A 31 7.431 10.716 -3.921 1.00 0.51 H new ATOM 0 HB2 SER A 31 10.446 10.413 -3.963 1.00 0.65 H new ATOM 0 HB3 SER A 31 9.253 9.608 -4.963 1.00 0.65 H new ATOM 0 HG SER A 31 10.357 11.305 -6.105 1.00 0.74 H new ATOM 499 N ASP A 32 9.634 10.281 -1.471 1.00 0.47 N ATOM 500 CA ASP A 32 9.899 9.529 -0.249 1.00 0.47 C ATOM 501 C ASP A 32 8.734 9.631 0.734 1.00 0.49 C ATOM 502 O ASP A 32 8.159 10.702 0.926 1.00 1.05 O ATOM 503 CB ASP A 32 11.193 10.014 0.409 1.00 0.57 C ATOM 504 CG ASP A 32 12.425 9.624 -0.384 1.00 0.73 C ATOM 505 OD1 ASP A 32 12.964 8.524 -0.153 1.00 1.11 O ATOM 506 OD2 ASP A 32 12.863 10.419 -1.245 1.00 0.83 O ATOM 0 H ASP A 32 10.349 10.971 -1.701 1.00 0.47 H new ATOM 0 HA ASP A 32 10.014 8.481 -0.524 1.00 0.47 H new ATOM 0 HB2 ASP A 32 11.160 11.098 0.514 1.00 0.57 H new ATOM 0 HB3 ASP A 32 11.264 9.598 1.414 1.00 0.57 H new ATOM 511 N GLN A 33 8.400 8.497 1.348 1.00 0.35 N ATOM 512 CA GLN A 33 7.300 8.417 2.308 1.00 0.34 C ATOM 513 C GLN A 33 7.770 8.819 3.721 1.00 0.35 C ATOM 514 O GLN A 33 8.067 9.988 3.964 1.00 0.54 O ATOM 515 CB GLN A 33 6.719 6.994 2.275 1.00 0.45 C ATOM 516 CG GLN A 33 5.519 6.766 3.181 1.00 0.53 C ATOM 517 CD GLN A 33 5.669 5.514 4.022 1.00 0.71 C ATOM 518 OE1 GLN A 33 6.768 5.193 4.480 1.00 0.98 O ATOM 519 NE2 GLN A 33 4.576 4.795 4.224 1.00 0.82 N ATOM 0 H GLN A 33 8.882 7.611 1.195 1.00 0.35 H new ATOM 0 HA GLN A 33 6.515 9.122 2.033 1.00 0.34 H new ATOM 0 HB2 GLN A 33 6.431 6.760 1.250 1.00 0.45 H new ATOM 0 HB3 GLN A 33 7.504 6.291 2.554 1.00 0.45 H new ATOM 0 HG2 GLN A 33 5.390 7.628 3.835 1.00 0.53 H new ATOM 0 HG3 GLN A 33 4.617 6.689 2.574 1.00 0.53 H new ATOM 0 HE21 GLN A 33 3.686 5.097 3.827 1.00 0.82 H new ATOM 0 HE22 GLN A 33 4.623 3.939 4.777 1.00 0.82 H new ATOM 528 N HIS A 34 7.845 7.858 4.655 1.00 0.34 N ATOM 529 CA HIS A 34 8.288 8.149 6.019 1.00 0.39 C ATOM 530 C HIS A 34 9.771 8.511 6.018 1.00 0.37 C ATOM 531 O HIS A 34 10.244 9.257 6.873 1.00 0.50 O ATOM 532 CB HIS A 34 8.033 6.941 6.931 1.00 0.48 C ATOM 533 CG HIS A 34 8.799 6.965 8.222 1.00 0.63 C ATOM 534 ND1 HIS A 34 9.918 6.185 8.449 1.00 0.86 N ATOM 535 CD2 HIS A 34 8.599 7.667 9.363 1.00 0.83 C ATOM 536 CE1 HIS A 34 10.368 6.410 9.669 1.00 0.99 C ATOM 537 NE2 HIS A 34 9.587 7.303 10.244 1.00 0.95 N ATOM 0 H HIS A 34 7.605 6.881 4.488 1.00 0.34 H new ATOM 0 HA HIS A 34 7.719 8.996 6.402 1.00 0.39 H new ATOM 0 HB2 HIS A 34 6.968 6.890 7.156 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.289 6.031 6.388 1.00 0.48 H new ATOM 0 HD1 HIS A 34 10.331 5.537 7.778 1.00 0.86 H new ATOM 0 HD2 HIS A 34 7.809 8.380 9.546 1.00 0.83 H new ATOM 0 HE1 HIS A 34 11.230 5.942 10.120 1.00 0.99 H new ATOM 546 N ILE A 35 10.482 7.957 5.048 1.00 0.31 N ATOM 547 CA ILE A 35 11.909 8.189 4.877 1.00 0.34 C ATOM 548 C ILE A 35 12.298 7.790 3.459 1.00 0.33 C ATOM 549 O ILE A 35 12.934 8.555 2.737 1.00 0.40 O ATOM 550 CB ILE A 35 12.764 7.385 5.894 1.00 0.39 C ATOM 551 CG1 ILE A 35 12.670 8.003 7.296 1.00 0.42 C ATOM 552 CG2 ILE A 35 14.217 7.317 5.438 1.00 0.52 C ATOM 553 CD1 ILE A 35 13.612 7.382 8.310 1.00 0.51 C ATOM 0 H ILE A 35 10.082 7.328 4.351 1.00 0.31 H new ATOM 0 HA ILE A 35 12.105 9.246 5.055 1.00 0.34 H new ATOM 0 HB ILE A 35 12.368 6.370 5.941 1.00 0.39 H new ATOM 0 HG12 ILE A 35 12.881 9.070 7.226 1.00 0.42 H new ATOM 0 HG13 ILE A 35 11.647 7.903 7.658 1.00 0.42 H new ATOM 0 HG21 ILE A 35 14.800 6.750 6.164 1.00 0.52 H new ATOM 0 HG22 ILE A 35 14.271 6.826 4.466 1.00 0.52 H new ATOM 0 HG23 ILE A 35 14.621 8.326 5.358 1.00 0.52 H new ATOM 0 HD11 ILE A 35 13.484 7.874 9.274 1.00 0.51 H new ATOM 0 HD12 ILE A 35 13.388 6.320 8.412 1.00 0.51 H new ATOM 0 HD13 ILE A 35 14.641 7.505 7.973 1.00 0.51 H new ATOM 565 N GLN A 36 11.890 6.578 3.080 1.00 0.29 N ATOM 566 CA GLN A 36 12.157 6.028 1.759 1.00 0.30 C ATOM 567 C GLN A 36 11.383 4.724 1.590 1.00 0.30 C ATOM 568 O GLN A 36 11.620 3.766 2.324 1.00 0.64 O ATOM 569 CB GLN A 36 13.658 5.783 1.592 1.00 0.37 C ATOM 570 CG GLN A 36 14.043 5.109 0.287 1.00 0.40 C ATOM 571 CD GLN A 36 15.515 4.757 0.246 1.00 0.47 C ATOM 572 OE1 GLN A 36 16.336 5.519 -0.264 1.00 0.76 O ATOM 573 NE2 GLN A 36 15.860 3.606 0.803 1.00 0.61 N ATOM 0 H GLN A 36 11.363 5.951 3.687 1.00 0.29 H new ATOM 0 HA GLN A 36 11.834 6.736 0.995 1.00 0.30 H new ATOM 0 HB2 GLN A 36 14.179 6.738 1.661 1.00 0.37 H new ATOM 0 HB3 GLN A 36 14.008 5.168 2.421 1.00 0.37 H new ATOM 0 HG2 GLN A 36 13.450 4.204 0.157 1.00 0.40 H new ATOM 0 HG3 GLN A 36 13.804 5.769 -0.547 1.00 0.40 H new ATOM 0 HE21 GLN A 36 15.146 3.004 1.214 1.00 0.61 H new ATOM 0 HE22 GLN A 36 16.839 3.321 0.821 1.00 0.61 H new ATOM 582 N LEU A 37 10.439 4.693 0.657 1.00 0.27 N ATOM 583 CA LEU A 37 9.639 3.494 0.427 1.00 0.25 C ATOM 584 C LEU A 37 10.204 2.697 -0.745 1.00 0.22 C ATOM 585 O LEU A 37 10.594 3.271 -1.762 1.00 0.26 O ATOM 586 CB LEU A 37 8.175 3.865 0.163 1.00 0.33 C ATOM 587 CG LEU A 37 7.140 3.056 0.951 1.00 0.42 C ATOM 588 CD1 LEU A 37 5.781 3.733 0.888 1.00 0.57 C ATOM 589 CD2 LEU A 37 7.048 1.633 0.418 1.00 0.53 C ATOM 0 H LEU A 37 10.209 5.479 0.050 1.00 0.27 H new ATOM 0 HA LEU A 37 9.681 2.875 1.323 1.00 0.25 H new ATOM 0 HB2 LEU A 37 8.038 4.921 0.394 1.00 0.33 H new ATOM 0 HB3 LEU A 37 7.973 3.743 -0.901 1.00 0.33 H new ATOM 0 HG LEU A 37 7.461 3.011 1.992 1.00 0.42 H new ATOM 0 HD11 LEU A 37 5.056 3.147 1.452 1.00 0.57 H new ATOM 0 HD12 LEU A 37 5.852 4.732 1.317 1.00 0.57 H new ATOM 0 HD13 LEU A 37 5.459 3.806 -0.151 1.00 0.57 H new ATOM 0 HD21 LEU A 37 6.307 1.077 0.992 1.00 0.53 H new ATOM 0 HD22 LEU A 37 6.752 1.656 -0.631 1.00 0.53 H new ATOM 0 HD23 LEU A 37 8.019 1.146 0.510 1.00 0.53 H new ATOM 601 N GLN A 38 10.270 1.383 -0.586 1.00 0.23 N ATOM 602 CA GLN A 38 10.786 0.502 -1.625 1.00 0.27 C ATOM 603 C GLN A 38 9.795 -0.619 -1.921 1.00 0.24 C ATOM 604 O GLN A 38 9.036 -1.040 -1.040 1.00 0.32 O ATOM 605 CB GLN A 38 12.127 -0.103 -1.202 1.00 0.38 C ATOM 606 CG GLN A 38 13.176 0.930 -0.818 1.00 0.51 C ATOM 607 CD GLN A 38 14.425 0.297 -0.230 1.00 0.62 C ATOM 608 OE1 GLN A 38 14.369 -0.787 0.352 1.00 1.05 O ATOM 609 NE2 GLN A 38 15.558 0.970 -0.368 1.00 0.75 N ATOM 0 H GLN A 38 9.970 0.900 0.261 1.00 0.23 H new ATOM 0 HA GLN A 38 10.931 1.097 -2.526 1.00 0.27 H new ATOM 0 HB2 GLN A 38 11.962 -0.771 -0.356 1.00 0.38 H new ATOM 0 HB3 GLN A 38 12.513 -0.712 -2.019 1.00 0.38 H new ATOM 0 HG2 GLN A 38 13.447 1.513 -1.698 1.00 0.51 H new ATOM 0 HG3 GLN A 38 12.750 1.625 -0.095 1.00 0.51 H new ATOM 0 HE21 GLN A 38 15.563 1.865 -0.857 1.00 0.75 H new ATOM 0 HE22 GLN A 38 16.425 0.593 0.015 1.00 0.75 H new ATOM 618 N LEU A 39 9.813 -1.093 -3.160 1.00 0.24 N ATOM 619 CA LEU A 39 8.936 -2.173 -3.594 1.00 0.24 C ATOM 620 C LEU A 39 9.568 -2.896 -4.778 1.00 0.26 C ATOM 621 O LEU A 39 9.488 -2.427 -5.915 1.00 0.34 O ATOM 622 CB LEU A 39 7.552 -1.622 -3.969 1.00 0.26 C ATOM 623 CG LEU A 39 6.489 -2.679 -4.290 1.00 0.34 C ATOM 624 CD1 LEU A 39 5.093 -2.083 -4.191 1.00 0.38 C ATOM 625 CD2 LEU A 39 6.719 -3.266 -5.676 1.00 0.41 C ATOM 0 H LEU A 39 10.433 -0.742 -3.890 1.00 0.24 H new ATOM 0 HA LEU A 39 8.805 -2.881 -2.776 1.00 0.24 H new ATOM 0 HB2 LEU A 39 7.190 -1.005 -3.146 1.00 0.26 H new ATOM 0 HB3 LEU A 39 7.662 -0.968 -4.834 1.00 0.26 H new ATOM 0 HG LEU A 39 6.574 -3.481 -3.557 1.00 0.34 H new ATOM 0 HD11 LEU A 39 4.353 -2.849 -4.422 1.00 0.38 H new ATOM 0 HD12 LEU A 39 4.927 -1.712 -3.180 1.00 0.38 H new ATOM 0 HD13 LEU A 39 4.997 -1.260 -4.900 1.00 0.38 H new ATOM 0 HD21 LEU A 39 5.955 -4.014 -5.886 1.00 0.41 H new ATOM 0 HD22 LEU A 39 6.664 -2.472 -6.421 1.00 0.41 H new ATOM 0 HD23 LEU A 39 7.703 -3.732 -5.715 1.00 0.41 H new ATOM 637 N SER A 40 10.222 -4.024 -4.507 1.00 0.25 N ATOM 638 CA SER A 40 10.890 -4.797 -5.554 1.00 0.28 C ATOM 639 C SER A 40 11.475 -6.100 -4.997 1.00 0.29 C ATOM 640 O SER A 40 11.256 -6.436 -3.828 1.00 0.38 O ATOM 641 CB SER A 40 12.015 -3.957 -6.180 1.00 0.36 C ATOM 642 OG SER A 40 11.521 -3.042 -7.145 1.00 0.55 O ATOM 0 H SER A 40 10.304 -4.423 -3.572 1.00 0.25 H new ATOM 0 HA SER A 40 10.149 -5.051 -6.312 1.00 0.28 H new ATOM 0 HB2 SER A 40 12.538 -3.410 -5.396 1.00 0.36 H new ATOM 0 HB3 SER A 40 12.744 -4.619 -6.648 1.00 0.36 H new ATOM 0 HG SER A 40 10.563 -2.897 -6.998 1.00 0.55 H new ATOM 648 N ALA A 41 12.184 -6.839 -5.863 1.00 0.33 N ATOM 649 CA ALA A 41 12.855 -8.101 -5.514 1.00 0.37 C ATOM 650 C ALA A 41 11.992 -9.324 -5.822 1.00 0.36 C ATOM 651 O ALA A 41 12.504 -10.348 -6.280 1.00 0.76 O ATOM 652 CB ALA A 41 13.301 -8.122 -4.056 1.00 0.46 C ATOM 0 H ALA A 41 12.309 -6.573 -6.840 1.00 0.33 H new ATOM 0 HA ALA A 41 13.743 -8.154 -6.145 1.00 0.37 H new ATOM 0 HB1 ALA A 41 13.792 -9.071 -3.839 1.00 0.46 H new ATOM 0 HB2 ALA A 41 13.998 -7.304 -3.877 1.00 0.46 H new ATOM 0 HB3 ALA A 41 12.432 -8.007 -3.408 1.00 0.46 H new ATOM 658 N GLU A 42 10.693 -9.227 -5.578 1.00 0.35 N ATOM 659 CA GLU A 42 9.790 -10.345 -5.840 1.00 0.30 C ATOM 660 C GLU A 42 9.670 -10.597 -7.347 1.00 0.33 C ATOM 661 O GLU A 42 10.068 -9.754 -8.158 1.00 0.51 O ATOM 662 CB GLU A 42 8.422 -10.077 -5.216 1.00 0.32 C ATOM 663 CG GLU A 42 8.472 -9.872 -3.706 1.00 0.54 C ATOM 664 CD GLU A 42 9.106 -11.041 -2.971 1.00 0.76 C ATOM 665 OE1 GLU A 42 8.482 -12.117 -2.906 1.00 1.01 O ATOM 666 OE2 GLU A 42 10.235 -10.891 -2.456 1.00 1.05 O ATOM 0 H GLU A 42 10.241 -8.394 -5.202 1.00 0.35 H new ATOM 0 HA GLU A 42 10.202 -11.244 -5.382 1.00 0.30 H new ATOM 0 HB2 GLU A 42 7.987 -9.192 -5.681 1.00 0.32 H new ATOM 0 HB3 GLU A 42 7.759 -10.913 -5.439 1.00 0.32 H new ATOM 0 HG2 GLU A 42 9.033 -8.964 -3.486 1.00 0.54 H new ATOM 0 HG3 GLU A 42 7.460 -9.720 -3.331 1.00 0.54 H new ATOM 673 N SER A 43 9.133 -11.758 -7.723 1.00 0.31 N ATOM 674 CA SER A 43 8.995 -12.106 -9.134 1.00 0.38 C ATOM 675 C SER A 43 7.720 -11.508 -9.737 1.00 0.34 C ATOM 676 O SER A 43 6.822 -11.082 -9.009 1.00 0.61 O ATOM 677 CB SER A 43 9.030 -13.632 -9.317 1.00 0.52 C ATOM 678 OG SER A 43 7.855 -14.261 -8.823 1.00 1.04 O ATOM 0 H SER A 43 8.790 -12.467 -7.075 1.00 0.31 H new ATOM 0 HA SER A 43 9.840 -11.676 -9.671 1.00 0.38 H new ATOM 0 HB2 SER A 43 9.148 -13.866 -10.375 1.00 0.52 H new ATOM 0 HB3 SER A 43 9.901 -14.038 -8.802 1.00 0.52 H new ATOM 0 HG SER A 43 7.948 -14.418 -7.860 1.00 1.04 H new ATOM 684 N VAL A 44 7.661 -11.479 -11.072 1.00 0.39 N ATOM 685 CA VAL A 44 6.519 -10.932 -11.809 1.00 0.39 C ATOM 686 C VAL A 44 5.198 -11.129 -11.061 1.00 0.36 C ATOM 687 O VAL A 44 4.766 -12.256 -10.820 1.00 0.59 O ATOM 688 CB VAL A 44 6.408 -11.554 -13.223 1.00 0.52 C ATOM 689 CG1 VAL A 44 6.392 -13.075 -13.159 1.00 0.60 C ATOM 690 CG2 VAL A 44 5.176 -11.037 -13.949 1.00 0.58 C ATOM 0 H VAL A 44 8.405 -11.835 -11.672 1.00 0.39 H new ATOM 0 HA VAL A 44 6.703 -9.862 -11.902 1.00 0.39 H new ATOM 0 HB VAL A 44 7.291 -11.251 -13.786 1.00 0.52 H new ATOM 0 HG11 VAL A 44 6.313 -13.481 -14.168 1.00 0.60 H new ATOM 0 HG12 VAL A 44 7.313 -13.429 -12.696 1.00 0.60 H new ATOM 0 HG13 VAL A 44 5.538 -13.405 -12.567 1.00 0.60 H new ATOM 0 HG21 VAL A 44 5.121 -11.489 -14.939 1.00 0.58 H new ATOM 0 HG22 VAL A 44 4.283 -11.298 -13.381 1.00 0.58 H new ATOM 0 HG23 VAL A 44 5.240 -9.953 -14.048 1.00 0.58 H new ATOM 700 N GLY A 45 4.576 -10.018 -10.679 1.00 0.32 N ATOM 701 CA GLY A 45 3.316 -10.076 -9.970 1.00 0.33 C ATOM 702 C GLY A 45 3.494 -9.852 -8.483 1.00 0.28 C ATOM 703 O GLY A 45 2.772 -9.063 -7.877 1.00 0.33 O ATOM 0 H GLY A 45 4.926 -9.075 -10.850 1.00 0.32 H new ATOM 0 HA2 GLY A 45 2.638 -9.323 -10.372 1.00 0.33 H new ATOM 0 HA3 GLY A 45 2.849 -11.047 -10.138 1.00 0.33 H new ATOM 707 N GLU A 46 4.473 -10.534 -7.900 1.00 0.27 N ATOM 708 CA GLU A 46 4.746 -10.418 -6.473 1.00 0.28 C ATOM 709 C GLU A 46 5.439 -9.098 -6.167 1.00 0.24 C ATOM 710 O GLU A 46 6.267 -8.628 -6.950 1.00 0.31 O ATOM 711 CB GLU A 46 5.637 -11.565 -5.998 1.00 0.39 C ATOM 712 CG GLU A 46 5.073 -12.950 -6.252 1.00 0.51 C ATOM 713 CD GLU A 46 6.036 -14.033 -5.821 1.00 0.64 C ATOM 714 OE1 GLU A 46 7.149 -14.105 -6.387 1.00 0.86 O ATOM 715 OE2 GLU A 46 5.692 -14.812 -4.907 1.00 0.82 O ATOM 0 H GLU A 46 5.093 -11.175 -8.396 1.00 0.27 H new ATOM 0 HA GLU A 46 3.791 -10.460 -5.949 1.00 0.28 H new ATOM 0 HB2 GLU A 46 6.605 -11.485 -6.493 1.00 0.39 H new ATOM 0 HB3 GLU A 46 5.815 -11.450 -4.929 1.00 0.39 H new ATOM 0 HG2 GLU A 46 4.132 -13.064 -5.714 1.00 0.51 H new ATOM 0 HG3 GLU A 46 4.849 -13.063 -7.313 1.00 0.51 H new ATOM 722 N VAL A 47 5.103 -8.502 -5.030 1.00 0.22 N ATOM 723 CA VAL A 47 5.712 -7.248 -4.631 1.00 0.25 C ATOM 724 C VAL A 47 5.940 -7.195 -3.124 1.00 0.23 C ATOM 725 O VAL A 47 5.052 -7.529 -2.335 1.00 0.29 O ATOM 726 CB VAL A 47 4.872 -6.030 -5.069 1.00 0.32 C ATOM 727 CG1 VAL A 47 4.881 -5.901 -6.584 1.00 0.35 C ATOM 728 CG2 VAL A 47 3.446 -6.135 -4.550 1.00 0.35 C ATOM 0 H VAL A 47 4.414 -8.868 -4.373 1.00 0.22 H new ATOM 0 HA VAL A 47 6.675 -7.200 -5.138 1.00 0.25 H new ATOM 0 HB VAL A 47 5.320 -5.134 -4.639 1.00 0.32 H new ATOM 0 HG11 VAL A 47 4.285 -5.038 -6.879 1.00 0.35 H new ATOM 0 HG12 VAL A 47 5.906 -5.770 -6.932 1.00 0.35 H new ATOM 0 HG13 VAL A 47 4.459 -6.802 -7.028 1.00 0.35 H new ATOM 0 HG21 VAL A 47 2.876 -5.264 -4.873 1.00 0.35 H new ATOM 0 HG22 VAL A 47 2.981 -7.039 -4.943 1.00 0.35 H new ATOM 0 HG23 VAL A 47 3.457 -6.177 -3.461 1.00 0.35 H new ATOM 738 N TYR A 48 7.146 -6.796 -2.740 1.00 0.22 N ATOM 739 CA TYR A 48 7.522 -6.676 -1.339 1.00 0.22 C ATOM 740 C TYR A 48 7.641 -5.197 -0.983 1.00 0.22 C ATOM 741 O TYR A 48 8.501 -4.496 -1.520 1.00 0.29 O ATOM 742 CB TYR A 48 8.846 -7.405 -1.085 1.00 0.25 C ATOM 743 CG TYR A 48 9.393 -7.217 0.311 1.00 0.35 C ATOM 744 CD1 TYR A 48 8.963 -8.018 1.358 1.00 0.49 C ATOM 745 CD2 TYR A 48 10.345 -6.242 0.577 1.00 0.58 C ATOM 746 CE1 TYR A 48 9.466 -7.854 2.634 1.00 0.66 C ATOM 747 CE2 TYR A 48 10.852 -6.071 1.850 1.00 0.74 C ATOM 748 CZ TYR A 48 10.412 -6.878 2.874 1.00 0.72 C ATOM 749 OH TYR A 48 10.925 -6.708 4.146 1.00 0.92 O ATOM 0 H TYR A 48 7.890 -6.547 -3.392 1.00 0.22 H new ATOM 0 HA TYR A 48 6.759 -7.135 -0.710 1.00 0.22 H new ATOM 0 HB2 TYR A 48 8.703 -8.470 -1.268 1.00 0.25 H new ATOM 0 HB3 TYR A 48 9.586 -7.054 -1.804 1.00 0.25 H new ATOM 0 HD1 TYR A 48 8.223 -8.782 1.173 1.00 0.49 H new ATOM 0 HD2 TYR A 48 10.694 -5.608 -0.224 1.00 0.58 H new ATOM 0 HE1 TYR A 48 9.121 -8.486 3.439 1.00 0.66 H new ATOM 0 HE2 TYR A 48 11.591 -5.307 2.041 1.00 0.74 H new ATOM 0 HH TYR A 48 10.245 -6.952 4.808 1.00 0.92 H new ATOM 759 N ILE A 49 6.777 -4.730 -0.092 1.00 0.21 N ATOM 760 CA ILE A 49 6.768 -3.326 0.306 1.00 0.22 C ATOM 761 C ILE A 49 7.707 -3.065 1.481 1.00 0.23 C ATOM 762 O ILE A 49 7.662 -3.762 2.496 1.00 0.37 O ATOM 763 CB ILE A 49 5.344 -2.862 0.687 1.00 0.26 C ATOM 764 CG1 ILE A 49 4.362 -3.168 -0.448 1.00 0.31 C ATOM 765 CG2 ILE A 49 5.341 -1.373 1.008 1.00 0.30 C ATOM 766 CD1 ILE A 49 2.919 -2.872 -0.101 1.00 0.38 C ATOM 0 H ILE A 49 6.071 -5.303 0.371 1.00 0.21 H new ATOM 0 HA ILE A 49 7.116 -2.757 -0.556 1.00 0.22 H new ATOM 0 HB ILE A 49 5.026 -3.408 1.575 1.00 0.26 H new ATOM 0 HG12 ILE A 49 4.642 -2.585 -1.326 1.00 0.31 H new ATOM 0 HG13 ILE A 49 4.452 -4.219 -0.721 1.00 0.31 H new ATOM 0 HG21 ILE A 49 4.331 -1.060 1.275 1.00 0.30 H new ATOM 0 HG22 ILE A 49 6.013 -1.180 1.844 1.00 0.30 H new ATOM 0 HG23 ILE A 49 5.676 -0.812 0.136 1.00 0.30 H new ATOM 0 HD11 ILE A 49 2.283 -3.113 -0.953 1.00 0.38 H new ATOM 0 HD12 ILE A 49 2.620 -3.474 0.757 1.00 0.38 H new ATOM 0 HD13 ILE A 49 2.813 -1.815 0.143 1.00 0.38 H new ATOM 778 N LYS A 50 8.560 -2.056 1.335 1.00 0.21 N ATOM 779 CA LYS A 50 9.499 -1.691 2.383 1.00 0.25 C ATOM 780 C LYS A 50 9.476 -0.185 2.629 1.00 0.21 C ATOM 781 O LYS A 50 9.932 0.599 1.795 1.00 0.26 O ATOM 782 CB LYS A 50 10.914 -2.153 2.017 1.00 0.34 C ATOM 783 CG LYS A 50 11.957 -1.845 3.084 1.00 0.49 C ATOM 784 CD LYS A 50 11.468 -2.213 4.481 1.00 0.73 C ATOM 785 CE LYS A 50 11.075 -3.681 4.585 1.00 1.35 C ATOM 786 NZ LYS A 50 12.259 -4.576 4.604 1.00 1.74 N ATOM 0 H LYS A 50 8.618 -1.477 0.497 1.00 0.21 H new ATOM 0 HA LYS A 50 9.197 -2.191 3.303 1.00 0.25 H new ATOM 0 HB2 LYS A 50 10.900 -3.228 1.836 1.00 0.34 H new ATOM 0 HB3 LYS A 50 11.212 -1.676 1.083 1.00 0.34 H new ATOM 0 HG2 LYS A 50 12.874 -2.393 2.864 1.00 0.49 H new ATOM 0 HG3 LYS A 50 12.205 -0.784 3.054 1.00 0.49 H new ATOM 0 HD2 LYS A 50 12.251 -1.996 5.207 1.00 0.73 H new ATOM 0 HD3 LYS A 50 10.612 -1.590 4.740 1.00 0.73 H new ATOM 0 HE2 LYS A 50 10.490 -3.836 5.491 1.00 1.35 H new ATOM 0 HE3 LYS A 50 10.435 -3.945 3.743 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 11.950 -5.562 4.488 1.00 1.74 H new ATOM 0 HZ2 LYS A 50 12.900 -4.320 3.826 1.00 1.74 H new ATOM 0 HZ3 LYS A 50 12.757 -4.474 5.511 1.00 1.74 H new ATOM 800 N SER A 51 8.921 0.217 3.766 1.00 0.24 N ATOM 801 CA SER A 51 8.841 1.625 4.121 1.00 0.25 C ATOM 802 C SER A 51 10.002 2.003 5.045 1.00 0.25 C ATOM 803 O SER A 51 9.997 1.654 6.226 1.00 0.33 O ATOM 804 CB SER A 51 7.501 1.922 4.800 1.00 0.32 C ATOM 805 OG SER A 51 6.436 1.220 4.171 1.00 0.53 O ATOM 0 H SER A 51 8.519 -0.415 4.458 1.00 0.24 H new ATOM 0 HA SER A 51 8.911 2.222 3.212 1.00 0.25 H new ATOM 0 HB2 SER A 51 7.554 1.641 5.852 1.00 0.32 H new ATOM 0 HB3 SER A 51 7.303 2.993 4.766 1.00 0.32 H new ATOM 0 HG SER A 51 5.607 1.735 4.260 1.00 0.53 H new ATOM 811 N THR A 52 10.982 2.720 4.496 1.00 0.24 N ATOM 812 CA THR A 52 12.170 3.153 5.233 1.00 0.28 C ATOM 813 C THR A 52 13.259 2.088 5.129 1.00 0.28 C ATOM 814 O THR A 52 13.005 0.910 5.379 1.00 0.34 O ATOM 815 CB THR A 52 11.877 3.458 6.723 1.00 0.32 C ATOM 816 OG1 THR A 52 10.681 4.249 6.850 1.00 0.35 O ATOM 817 CG2 THR A 52 13.044 4.195 7.364 1.00 0.38 C ATOM 0 H THR A 52 10.974 3.019 3.521 1.00 0.24 H new ATOM 0 HA THR A 52 12.506 4.084 4.777 1.00 0.28 H new ATOM 0 HB THR A 52 11.735 2.507 7.237 1.00 0.32 H new ATOM 0 HG1 THR A 52 10.047 3.791 7.440 1.00 0.35 H new ATOM 0 HG21 THR A 52 12.815 4.398 8.410 1.00 0.38 H new ATOM 0 HG22 THR A 52 13.941 3.579 7.302 1.00 0.38 H new ATOM 0 HG23 THR A 52 13.212 5.136 6.840 1.00 0.38 H new ATOM 825 N GLU A 53 14.464 2.507 4.749 1.00 0.31 N ATOM 826 CA GLU A 53 15.587 1.582 4.598 1.00 0.35 C ATOM 827 C GLU A 53 15.748 0.704 5.839 1.00 0.31 C ATOM 828 O GLU A 53 15.954 -0.506 5.729 1.00 0.37 O ATOM 829 CB GLU A 53 16.881 2.355 4.331 1.00 0.43 C ATOM 830 CG GLU A 53 17.979 1.519 3.687 1.00 0.47 C ATOM 831 CD GLU A 53 17.886 1.494 2.172 1.00 0.57 C ATOM 832 OE1 GLU A 53 18.239 2.508 1.532 1.00 0.73 O ATOM 833 OE2 GLU A 53 17.471 0.461 1.610 1.00 0.74 O ATOM 0 H GLU A 53 14.689 3.480 4.540 1.00 0.31 H new ATOM 0 HA GLU A 53 15.377 0.935 3.747 1.00 0.35 H new ATOM 0 HB2 GLU A 53 16.658 3.204 3.685 1.00 0.43 H new ATOM 0 HB3 GLU A 53 17.252 2.760 5.273 1.00 0.43 H new ATOM 0 HG2 GLU A 53 18.951 1.916 3.980 1.00 0.47 H new ATOM 0 HG3 GLU A 53 17.923 0.499 4.067 1.00 0.47 H new ATOM 840 N THR A 54 15.652 1.316 7.016 1.00 0.28 N ATOM 841 CA THR A 54 15.783 0.585 8.269 1.00 0.31 C ATOM 842 C THR A 54 14.992 1.265 9.390 1.00 0.33 C ATOM 843 O THR A 54 14.820 2.488 9.389 1.00 0.52 O ATOM 844 CB THR A 54 17.267 0.455 8.676 1.00 0.40 C ATOM 845 OG1 THR A 54 17.970 1.678 8.391 1.00 0.63 O ATOM 846 CG2 THR A 54 17.926 -0.699 7.935 1.00 0.68 C ATOM 0 H THR A 54 15.484 2.316 7.126 1.00 0.28 H new ATOM 0 HA THR A 54 15.373 -0.413 8.112 1.00 0.31 H new ATOM 0 HB THR A 54 17.311 0.257 9.747 1.00 0.40 H new ATOM 0 HG1 THR A 54 18.909 1.585 8.655 1.00 0.63 H new ATOM 0 HG21 THR A 54 18.971 -0.775 8.235 1.00 0.68 H new ATOM 0 HG22 THR A 54 17.411 -1.629 8.177 1.00 0.68 H new ATOM 0 HG23 THR A 54 17.869 -0.522 6.861 1.00 0.68 H new ATOM 854 N GLY A 55 14.505 0.466 10.340 1.00 0.39 N ATOM 855 CA GLY A 55 13.747 1.001 11.459 1.00 0.44 C ATOM 856 C GLY A 55 12.240 0.904 11.271 1.00 0.42 C ATOM 857 O GLY A 55 11.480 1.234 12.185 1.00 0.76 O ATOM 0 H GLY A 55 14.624 -0.547 10.353 1.00 0.39 H new ATOM 0 HA2 GLY A 55 14.027 0.466 12.367 1.00 0.44 H new ATOM 0 HA3 GLY A 55 14.021 2.046 11.607 1.00 0.44 H new ATOM 861 N GLN A 56 11.800 0.458 10.097 1.00 0.34 N ATOM 862 CA GLN A 56 10.374 0.326 9.812 1.00 0.30 C ATOM 863 C GLN A 56 10.108 -0.889 8.924 1.00 0.27 C ATOM 864 O GLN A 56 10.973 -1.304 8.153 1.00 0.38 O ATOM 865 CB GLN A 56 9.842 1.595 9.144 1.00 0.37 C ATOM 866 CG GLN A 56 9.698 2.771 10.096 1.00 0.49 C ATOM 867 CD GLN A 56 8.643 2.535 11.158 1.00 0.76 C ATOM 868 OE1 GLN A 56 7.484 2.900 10.986 1.00 1.02 O ATOM 869 NE2 GLN A 56 9.038 1.912 12.259 1.00 0.89 N ATOM 0 H GLN A 56 12.410 0.182 9.328 1.00 0.34 H new ATOM 0 HA GLN A 56 9.851 0.182 10.758 1.00 0.30 H new ATOM 0 HB2 GLN A 56 10.512 1.876 8.332 1.00 0.37 H new ATOM 0 HB3 GLN A 56 8.872 1.380 8.696 1.00 0.37 H new ATOM 0 HG2 GLN A 56 10.657 2.963 10.578 1.00 0.49 H new ATOM 0 HG3 GLN A 56 9.442 3.665 9.527 1.00 0.49 H new ATOM 0 HE21 GLN A 56 10.012 1.625 12.361 1.00 0.89 H new ATOM 0 HE22 GLN A 56 8.368 1.719 13.004 1.00 0.89 H new ATOM 878 N TYR A 57 8.910 -1.453 9.048 1.00 0.24 N ATOM 879 CA TYR A 57 8.518 -2.622 8.268 1.00 0.23 C ATOM 880 C TYR A 57 7.027 -2.548 7.937 1.00 0.25 C ATOM 881 O TYR A 57 6.208 -2.256 8.807 1.00 0.42 O ATOM 882 CB TYR A 57 8.828 -3.891 9.062 1.00 0.26 C ATOM 883 CG TYR A 57 8.926 -5.146 8.222 1.00 0.35 C ATOM 884 CD1 TYR A 57 7.802 -5.914 7.947 1.00 0.54 C ATOM 885 CD2 TYR A 57 10.147 -5.569 7.718 1.00 0.53 C ATOM 886 CE1 TYR A 57 7.894 -7.066 7.190 1.00 0.73 C ATOM 887 CE2 TYR A 57 10.247 -6.718 6.963 1.00 0.73 C ATOM 888 CZ TYR A 57 9.121 -7.465 6.700 1.00 0.79 C ATOM 889 OH TYR A 57 9.224 -8.615 5.948 1.00 1.03 O ATOM 0 H TYR A 57 8.189 -1.116 9.686 1.00 0.24 H new ATOM 0 HA TYR A 57 9.080 -2.644 7.334 1.00 0.23 H new ATOM 0 HB2 TYR A 57 9.768 -3.751 9.595 1.00 0.26 H new ATOM 0 HB3 TYR A 57 8.053 -4.032 9.815 1.00 0.26 H new ATOM 0 HD1 TYR A 57 6.841 -5.606 8.331 1.00 0.54 H new ATOM 0 HD2 TYR A 57 11.035 -4.988 7.921 1.00 0.53 H new ATOM 0 HE1 TYR A 57 7.010 -7.651 6.983 1.00 0.73 H new ATOM 0 HE2 TYR A 57 11.206 -7.031 6.579 1.00 0.73 H new ATOM 0 HH TYR A 57 10.158 -8.749 5.682 1.00 1.03 H new ATOM 899 N LEU A 58 6.683 -2.808 6.680 1.00 0.20 N ATOM 900 CA LEU A 58 5.291 -2.756 6.242 1.00 0.22 C ATOM 901 C LEU A 58 4.658 -4.143 6.307 1.00 0.23 C ATOM 902 O LEU A 58 5.206 -5.108 5.767 1.00 0.30 O ATOM 903 CB LEU A 58 5.205 -2.197 4.814 1.00 0.27 C ATOM 904 CG LEU A 58 3.850 -1.597 4.411 1.00 0.32 C ATOM 905 CD1 LEU A 58 2.759 -2.660 4.388 1.00 0.39 C ATOM 906 CD2 LEU A 58 3.464 -0.460 5.348 1.00 0.38 C ATOM 0 H LEU A 58 7.347 -3.057 5.947 1.00 0.20 H new ATOM 0 HA LEU A 58 4.741 -2.094 6.911 1.00 0.22 H new ATOM 0 HB2 LEU A 58 5.970 -1.429 4.698 1.00 0.27 H new ATOM 0 HB3 LEU A 58 5.449 -2.998 4.116 1.00 0.27 H new ATOM 0 HG LEU A 58 3.952 -1.197 3.402 1.00 0.32 H new ATOM 0 HD11 LEU A 58 1.812 -2.204 4.099 1.00 0.39 H new ATOM 0 HD12 LEU A 58 3.022 -3.436 3.669 1.00 0.39 H new ATOM 0 HD13 LEU A 58 2.661 -3.102 5.379 1.00 0.39 H new ATOM 0 HD21 LEU A 58 2.501 -0.049 5.044 1.00 0.38 H new ATOM 0 HD22 LEU A 58 3.392 -0.838 6.368 1.00 0.38 H new ATOM 0 HD23 LEU A 58 4.222 0.322 5.303 1.00 0.38 H new ATOM 918 N ALA A 59 3.515 -4.241 6.974 1.00 0.23 N ATOM 919 CA ALA A 59 2.816 -5.511 7.105 1.00 0.27 C ATOM 920 C ALA A 59 1.305 -5.312 7.109 1.00 0.24 C ATOM 921 O ALA A 59 0.802 -4.258 7.515 1.00 0.26 O ATOM 922 CB ALA A 59 3.259 -6.229 8.373 1.00 0.35 C ATOM 0 H ALA A 59 3.053 -3.456 7.432 1.00 0.23 H new ATOM 0 HA ALA A 59 3.071 -6.126 6.242 1.00 0.27 H new ATOM 0 HB1 ALA A 59 2.728 -7.177 8.458 1.00 0.35 H new ATOM 0 HB2 ALA A 59 4.332 -6.416 8.329 1.00 0.35 H new ATOM 0 HB3 ALA A 59 3.034 -5.608 9.240 1.00 0.35 H new ATOM 928 N MET A 60 0.584 -6.323 6.647 1.00 0.28 N ATOM 929 CA MET A 60 -0.867 -6.267 6.613 1.00 0.30 C ATOM 930 C MET A 60 -1.445 -7.204 7.665 1.00 0.26 C ATOM 931 O MET A 60 -1.058 -8.369 7.747 1.00 0.44 O ATOM 932 CB MET A 60 -1.403 -6.624 5.219 1.00 0.40 C ATOM 933 CG MET A 60 -1.375 -8.113 4.900 1.00 0.73 C ATOM 934 SD MET A 60 -1.999 -8.478 3.245 1.00 0.93 S ATOM 935 CE MET A 60 -3.560 -7.598 3.267 1.00 1.97 C ATOM 0 H MET A 60 0.982 -7.192 6.291 1.00 0.28 H new ATOM 0 HA MET A 60 -1.178 -5.246 6.836 1.00 0.30 H new ATOM 0 HB2 MET A 60 -2.429 -6.265 5.134 1.00 0.40 H new ATOM 0 HB3 MET A 60 -0.816 -6.093 4.470 1.00 0.40 H new ATOM 0 HG2 MET A 60 -0.353 -8.481 4.989 1.00 0.73 H new ATOM 0 HG3 MET A 60 -1.972 -8.650 5.637 1.00 0.73 H new ATOM 0 HE1 MET A 60 -3.823 -7.298 2.253 1.00 1.97 H new ATOM 0 HE2 MET A 60 -4.338 -8.248 3.667 1.00 1.97 H new ATOM 0 HE3 MET A 60 -3.469 -6.712 3.895 1.00 1.97 H new ATOM 945 N ASP A 61 -2.361 -6.689 8.469 1.00 0.30 N ATOM 946 CA ASP A 61 -2.986 -7.483 9.518 1.00 0.31 C ATOM 947 C ASP A 61 -3.855 -8.575 8.906 1.00 0.29 C ATOM 948 O ASP A 61 -4.466 -8.368 7.850 1.00 0.34 O ATOM 949 CB ASP A 61 -3.832 -6.595 10.435 1.00 0.42 C ATOM 950 CG ASP A 61 -4.245 -7.312 11.705 1.00 0.68 C ATOM 951 OD1 ASP A 61 -5.184 -8.133 11.649 1.00 0.96 O ATOM 952 OD2 ASP A 61 -3.627 -7.058 12.761 1.00 0.94 O ATOM 0 H ASP A 61 -2.689 -5.725 8.416 1.00 0.30 H new ATOM 0 HA ASP A 61 -2.198 -7.947 10.112 1.00 0.31 H new ATOM 0 HB2 ASP A 61 -3.267 -5.699 10.693 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -4.723 -6.267 9.899 1.00 0.42 H new ATOM 957 N THR A 62 -3.908 -9.727 9.564 1.00 0.37 N ATOM 958 CA THR A 62 -4.704 -10.850 9.079 1.00 0.44 C ATOM 959 C THR A 62 -6.178 -10.465 8.945 1.00 0.41 C ATOM 960 O THR A 62 -6.877 -10.977 8.074 1.00 0.50 O ATOM 961 CB THR A 62 -4.575 -12.089 10.001 1.00 0.59 C ATOM 962 OG1 THR A 62 -5.344 -13.185 9.477 1.00 0.85 O ATOM 963 CG2 THR A 62 -5.037 -11.774 11.419 1.00 0.74 C ATOM 0 H THR A 62 -3.409 -9.909 10.435 1.00 0.37 H new ATOM 0 HA THR A 62 -4.312 -11.110 8.096 1.00 0.44 H new ATOM 0 HB THR A 62 -3.522 -12.368 10.034 1.00 0.59 H new ATOM 0 HG1 THR A 62 -5.252 -13.961 10.068 1.00 0.85 H new ATOM 0 HG21 THR A 62 -4.934 -12.663 12.041 1.00 0.74 H new ATOM 0 HG22 THR A 62 -4.426 -10.970 11.831 1.00 0.74 H new ATOM 0 HG23 THR A 62 -6.081 -11.463 11.401 1.00 0.74 H new ATOM 971 N ASP A 63 -6.644 -9.552 9.798 1.00 0.36 N ATOM 972 CA ASP A 63 -8.039 -9.124 9.762 1.00 0.41 C ATOM 973 C ASP A 63 -8.337 -8.318 8.492 1.00 0.40 C ATOM 974 O ASP A 63 -8.661 -8.897 7.454 1.00 0.65 O ATOM 975 CB ASP A 63 -8.386 -8.323 11.024 1.00 0.47 C ATOM 976 CG ASP A 63 -9.791 -7.754 10.994 1.00 0.62 C ATOM 977 OD1 ASP A 63 -10.760 -8.534 10.909 1.00 0.82 O ATOM 978 OD2 ASP A 63 -9.933 -6.520 11.074 1.00 0.75 O ATOM 0 H ASP A 63 -6.079 -9.099 10.516 1.00 0.36 H new ATOM 0 HA ASP A 63 -8.670 -10.013 9.740 1.00 0.41 H new ATOM 0 HB2 ASP A 63 -8.279 -8.966 11.897 1.00 0.47 H new ATOM 0 HB3 ASP A 63 -7.672 -7.508 11.139 1.00 0.47 H new ATOM 983 N GLY A 64 -8.204 -6.997 8.558 1.00 0.45 N ATOM 984 CA GLY A 64 -8.479 -6.176 7.392 1.00 0.50 C ATOM 985 C GLY A 64 -7.815 -4.815 7.456 1.00 0.43 C ATOM 986 O GLY A 64 -8.388 -3.820 7.002 1.00 0.64 O ATOM 0 H GLY A 64 -7.913 -6.484 9.390 1.00 0.45 H new ATOM 0 HA2 GLY A 64 -8.139 -6.699 6.498 1.00 0.50 H new ATOM 0 HA3 GLY A 64 -9.556 -6.044 7.293 1.00 0.50 H new ATOM 990 N LEU A 65 -6.591 -4.771 7.982 1.00 0.40 N ATOM 991 CA LEU A 65 -5.859 -3.516 8.124 1.00 0.34 C ATOM 992 C LEU A 65 -4.404 -3.668 7.664 1.00 0.33 C ATOM 993 O LEU A 65 -3.872 -4.779 7.618 1.00 0.60 O ATOM 994 CB LEU A 65 -5.903 -3.068 9.595 1.00 0.37 C ATOM 995 CG LEU A 65 -6.272 -1.602 9.848 1.00 0.71 C ATOM 996 CD1 LEU A 65 -5.114 -0.681 9.501 1.00 1.23 C ATOM 997 CD2 LEU A 65 -7.520 -1.217 9.064 1.00 1.16 C ATOM 0 H LEU A 65 -6.086 -5.592 8.317 1.00 0.40 H new ATOM 0 HA LEU A 65 -6.331 -2.763 7.493 1.00 0.34 H new ATOM 0 HB2 LEU A 65 -6.620 -3.697 10.123 1.00 0.37 H new ATOM 0 HB3 LEU A 65 -4.926 -3.256 10.039 1.00 0.37 H new ATOM 0 HG LEU A 65 -6.487 -1.488 10.911 1.00 0.71 H new ATOM 0 HD11 LEU A 65 -5.402 0.353 9.690 1.00 1.23 H new ATOM 0 HD12 LEU A 65 -4.250 -0.935 10.116 1.00 1.23 H new ATOM 0 HD13 LEU A 65 -4.857 -0.800 8.448 1.00 1.23 H new ATOM 0 HD21 LEU A 65 -7.764 -0.173 9.258 1.00 1.16 H new ATOM 0 HD22 LEU A 65 -7.337 -1.355 7.998 1.00 1.16 H new ATOM 0 HD23 LEU A 65 -8.353 -1.848 9.374 1.00 1.16 H new ATOM 1009 N LEU A 66 -3.787 -2.555 7.281 1.00 0.37 N ATOM 1010 CA LEU A 66 -2.389 -2.534 6.859 1.00 0.36 C ATOM 1011 C LEU A 66 -1.644 -1.533 7.727 1.00 0.34 C ATOM 1012 O LEU A 66 -2.173 -0.454 8.011 1.00 0.45 O ATOM 1013 CB LEU A 66 -2.258 -2.153 5.382 1.00 0.41 C ATOM 1014 CG LEU A 66 -2.827 -3.171 4.384 1.00 0.50 C ATOM 1015 CD1 LEU A 66 -4.331 -2.995 4.235 1.00 0.57 C ATOM 1016 CD2 LEU A 66 -2.134 -3.037 3.034 1.00 0.61 C ATOM 0 H LEU A 66 -4.241 -1.642 7.254 1.00 0.37 H new ATOM 0 HA LEU A 66 -1.963 -3.531 6.976 1.00 0.36 H new ATOM 0 HB2 LEU A 66 -2.759 -1.198 5.225 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -1.203 -2.000 5.156 1.00 0.41 H new ATOM 0 HG LEU A 66 -2.639 -4.173 4.770 1.00 0.50 H new ATOM 0 HD11 LEU A 66 -4.714 -3.726 3.523 1.00 0.57 H new ATOM 0 HD12 LEU A 66 -4.812 -3.143 5.202 1.00 0.57 H new ATOM 0 HD13 LEU A 66 -4.546 -1.989 3.873 1.00 0.57 H new ATOM 0 HD21 LEU A 66 -2.549 -3.766 2.338 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -2.291 -2.032 2.643 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -1.066 -3.217 3.154 1.00 0.61 H new ATOM 1028 N TYR A 67 -0.437 -1.875 8.158 1.00 0.28 N ATOM 1029 CA TYR A 67 0.318 -0.981 9.028 1.00 0.33 C ATOM 1030 C TYR A 67 1.828 -1.150 8.878 1.00 0.30 C ATOM 1031 O TYR A 67 2.308 -2.060 8.195 1.00 0.32 O ATOM 1032 CB TYR A 67 -0.088 -1.221 10.485 1.00 0.43 C ATOM 1033 CG TYR A 67 0.125 -2.645 10.958 1.00 0.41 C ATOM 1034 CD1 TYR A 67 -0.715 -3.671 10.537 1.00 0.45 C ATOM 1035 CD2 TYR A 67 1.163 -2.961 11.827 1.00 0.55 C ATOM 1036 CE1 TYR A 67 -0.523 -4.968 10.964 1.00 0.55 C ATOM 1037 CE2 TYR A 67 1.361 -4.260 12.259 1.00 0.65 C ATOM 1038 CZ TYR A 67 0.513 -5.259 11.826 1.00 0.63 C ATOM 1039 OH TYR A 67 0.700 -6.555 12.255 1.00 0.80 O ATOM 0 H TYR A 67 0.034 -2.749 7.925 1.00 0.28 H new ATOM 0 HA TYR A 67 0.079 0.040 8.731 1.00 0.33 H new ATOM 0 HB2 TYR A 67 0.481 -0.547 11.126 1.00 0.43 H new ATOM 0 HB3 TYR A 67 -1.140 -0.963 10.606 1.00 0.43 H new ATOM 0 HD1 TYR A 67 -1.531 -3.448 9.865 1.00 0.45 H new ATOM 0 HD2 TYR A 67 1.825 -2.180 12.170 1.00 0.55 H new ATOM 0 HE1 TYR A 67 -1.182 -5.753 10.624 1.00 0.55 H new ATOM 0 HE2 TYR A 67 2.174 -4.491 12.931 1.00 0.65 H new ATOM 0 HH TYR A 67 1.473 -6.592 12.857 1.00 0.80 H new ATOM 1049 N GLY A 68 2.566 -0.254 9.528 1.00 0.34 N ATOM 1050 CA GLY A 68 4.010 -0.295 9.496 1.00 0.38 C ATOM 1051 C GLY A 68 4.580 -0.526 10.880 1.00 0.52 C ATOM 1052 O GLY A 68 4.432 0.316 11.766 1.00 1.27 O ATOM 0 H GLY A 68 2.178 0.509 10.083 1.00 0.34 H new ATOM 0 HA2 GLY A 68 4.340 -1.089 8.826 1.00 0.38 H new ATOM 0 HA3 GLY A 68 4.395 0.642 9.093 1.00 0.38 H new ATOM 1056 N SER A 69 5.203 -1.675 11.072 1.00 0.36 N ATOM 1057 CA SER A 69 5.798 -2.034 12.349 1.00 0.39 C ATOM 1058 C SER A 69 6.847 -3.117 12.137 1.00 0.32 C ATOM 1059 O SER A 69 6.655 -4.012 11.315 1.00 0.37 O ATOM 1060 CB SER A 69 4.723 -2.517 13.328 1.00 0.51 C ATOM 1061 OG SER A 69 3.857 -1.459 13.726 1.00 1.23 O ATOM 0 H SER A 69 5.311 -2.386 10.348 1.00 0.36 H new ATOM 0 HA SER A 69 6.275 -1.152 12.777 1.00 0.39 H new ATOM 0 HB2 SER A 69 4.138 -3.310 12.863 1.00 0.51 H new ATOM 0 HB3 SER A 69 5.200 -2.947 14.209 1.00 0.51 H new ATOM 0 HG SER A 69 4.370 -0.627 13.801 1.00 1.23 H new ATOM 1067 N GLN A 70 7.954 -3.028 12.863 1.00 0.31 N ATOM 1068 CA GLN A 70 9.031 -4.000 12.729 1.00 0.33 C ATOM 1069 C GLN A 70 8.532 -5.408 13.055 1.00 0.32 C ATOM 1070 O GLN A 70 8.473 -5.810 14.220 1.00 0.45 O ATOM 1071 CB GLN A 70 10.220 -3.623 13.625 1.00 0.43 C ATOM 1072 CG GLN A 70 11.568 -3.778 12.938 1.00 0.61 C ATOM 1073 CD GLN A 70 11.783 -5.171 12.373 1.00 0.93 C ATOM 1074 OE1 GLN A 70 11.326 -6.161 12.941 1.00 1.14 O ATOM 1075 NE2 GLN A 70 12.467 -5.254 11.241 1.00 1.29 N ATOM 0 H GLN A 70 8.129 -2.294 13.549 1.00 0.31 H new ATOM 0 HA GLN A 70 9.371 -3.990 11.693 1.00 0.33 H new ATOM 0 HB2 GLN A 70 10.105 -2.590 13.953 1.00 0.43 H new ATOM 0 HB3 GLN A 70 10.203 -4.246 14.520 1.00 0.43 H new ATOM 0 HG2 GLN A 70 11.646 -3.048 12.132 1.00 0.61 H new ATOM 0 HG3 GLN A 70 12.362 -3.553 13.650 1.00 0.61 H new ATOM 0 HE21 GLN A 70 12.830 -4.408 10.801 1.00 1.29 H new ATOM 0 HE22 GLN A 70 12.631 -6.164 10.810 1.00 1.29 H new ATOM 1084 N THR A 71 8.132 -6.138 12.024 1.00 0.29 N ATOM 1085 CA THR A 71 7.643 -7.496 12.188 1.00 0.33 C ATOM 1086 C THR A 71 7.773 -8.270 10.877 1.00 0.30 C ATOM 1087 O THR A 71 6.908 -8.178 10.005 1.00 0.38 O ATOM 1088 CB THR A 71 6.166 -7.517 12.650 1.00 0.43 C ATOM 1089 OG1 THR A 71 5.996 -6.702 13.828 1.00 0.52 O ATOM 1090 CG2 THR A 71 5.710 -8.940 12.944 1.00 0.58 C ATOM 0 H THR A 71 8.137 -5.808 11.059 1.00 0.29 H new ATOM 0 HA THR A 71 8.252 -7.970 12.957 1.00 0.33 H new ATOM 0 HB THR A 71 5.556 -7.113 11.842 1.00 0.43 H new ATOM 0 HG1 THR A 71 6.852 -6.625 14.299 1.00 0.52 H new ATOM 0 HG21 THR A 71 4.669 -8.929 13.267 1.00 0.58 H new ATOM 0 HG22 THR A 71 5.804 -9.546 12.043 1.00 0.58 H new ATOM 0 HG23 THR A 71 6.330 -9.365 13.733 1.00 0.58 H new ATOM 1098 N PRO A 72 8.875 -9.020 10.707 1.00 0.30 N ATOM 1099 CA PRO A 72 9.108 -9.816 9.498 1.00 0.33 C ATOM 1100 C PRO A 72 8.144 -10.997 9.424 1.00 0.31 C ATOM 1101 O PRO A 72 8.022 -11.763 10.383 1.00 0.44 O ATOM 1102 CB PRO A 72 10.550 -10.306 9.665 1.00 0.44 C ATOM 1103 CG PRO A 72 10.785 -10.303 11.136 1.00 0.50 C ATOM 1104 CD PRO A 72 9.976 -9.160 11.683 1.00 0.41 C ATOM 0 HA PRO A 72 8.952 -9.246 8.582 1.00 0.33 H new ATOM 0 HB2 PRO A 72 10.680 -11.304 9.246 1.00 0.44 H new ATOM 0 HB3 PRO A 72 11.253 -9.650 9.151 1.00 0.44 H new ATOM 0 HG2 PRO A 72 10.476 -11.248 11.582 1.00 0.50 H new ATOM 0 HG3 PRO A 72 11.844 -10.175 11.362 1.00 0.50 H new ATOM 0 HD2 PRO A 72 9.601 -9.376 12.683 1.00 0.41 H new ATOM 0 HD3 PRO A 72 10.568 -8.247 11.755 1.00 0.41 H new ATOM 1112 N ASN A 73 7.445 -11.137 8.300 1.00 0.28 N ATOM 1113 CA ASN A 73 6.492 -12.231 8.131 1.00 0.31 C ATOM 1114 C ASN A 73 5.965 -12.289 6.702 1.00 0.28 C ATOM 1115 O ASN A 73 6.047 -11.307 5.959 1.00 0.31 O ATOM 1116 CB ASN A 73 5.318 -12.070 9.104 1.00 0.38 C ATOM 1117 CG ASN A 73 4.585 -13.376 9.348 1.00 0.72 C ATOM 1118 OD1 ASN A 73 3.952 -13.926 8.448 1.00 1.01 O ATOM 1119 ND2 ASN A 73 4.664 -13.878 10.568 1.00 1.26 N ATOM 0 H ASN A 73 7.520 -10.511 7.498 1.00 0.28 H new ATOM 0 HA ASN A 73 7.016 -13.163 8.345 1.00 0.31 H new ATOM 0 HB2 ASN A 73 5.687 -11.681 10.053 1.00 0.38 H new ATOM 0 HB3 ASN A 73 4.620 -11.333 8.707 1.00 0.38 H new ATOM 0 HD21 ASN A 73 4.189 -14.753 10.791 1.00 1.26 H new ATOM 0 HD22 ASN A 73 5.200 -13.391 11.286 1.00 1.26 H new ATOM 1126 N GLU A 74 5.414 -13.443 6.333 1.00 0.28 N ATOM 1127 CA GLU A 74 4.862 -13.657 4.997 1.00 0.30 C ATOM 1128 C GLU A 74 3.812 -12.601 4.659 1.00 0.28 C ATOM 1129 O GLU A 74 3.618 -12.255 3.495 1.00 0.31 O ATOM 1130 CB GLU A 74 4.228 -15.043 4.901 1.00 0.37 C ATOM 1131 CG GLU A 74 5.185 -16.190 5.191 1.00 0.45 C ATOM 1132 CD GLU A 74 4.481 -17.531 5.189 1.00 0.56 C ATOM 1133 OE1 GLU A 74 3.735 -17.816 6.151 1.00 0.66 O ATOM 1134 OE2 GLU A 74 4.658 -18.299 4.223 1.00 0.79 O ATOM 0 H GLU A 74 5.338 -14.253 6.948 1.00 0.28 H new ATOM 0 HA GLU A 74 5.683 -13.578 4.284 1.00 0.30 H new ATOM 0 HB2 GLU A 74 3.393 -15.097 5.599 1.00 0.37 H new ATOM 0 HB3 GLU A 74 3.816 -15.173 3.900 1.00 0.37 H new ATOM 0 HG2 GLU A 74 5.980 -16.197 4.445 1.00 0.45 H new ATOM 0 HG3 GLU A 74 5.659 -16.031 6.160 1.00 0.45 H new ATOM 1141 N GLU A 75 3.138 -12.094 5.689 1.00 0.28 N ATOM 1142 CA GLU A 75 2.104 -11.069 5.522 1.00 0.30 C ATOM 1143 C GLU A 75 2.611 -9.882 4.691 1.00 0.34 C ATOM 1144 O GLU A 75 1.813 -9.091 4.182 1.00 0.60 O ATOM 1145 CB GLU A 75 1.618 -10.578 6.892 1.00 0.37 C ATOM 1146 CG GLU A 75 1.332 -11.698 7.889 1.00 0.49 C ATOM 1147 CD GLU A 75 0.620 -12.888 7.271 1.00 0.53 C ATOM 1148 OE1 GLU A 75 -0.613 -12.821 7.081 1.00 1.21 O ATOM 1149 OE2 GLU A 75 1.286 -13.905 6.981 1.00 1.26 O ATOM 0 H GLU A 75 3.290 -12.378 6.657 1.00 0.28 H new ATOM 0 HA GLU A 75 1.273 -11.524 4.984 1.00 0.30 H new ATOM 0 HB2 GLU A 75 2.370 -9.912 7.315 1.00 0.37 H new ATOM 0 HB3 GLU A 75 0.712 -9.988 6.754 1.00 0.37 H new ATOM 0 HG2 GLU A 75 2.272 -12.034 8.327 1.00 0.49 H new ATOM 0 HG3 GLU A 75 0.724 -11.303 8.703 1.00 0.49 H new ATOM 1156 N CYS A 76 3.933 -9.752 4.566 1.00 0.25 N ATOM 1157 CA CYS A 76 4.533 -8.676 3.787 1.00 0.28 C ATOM 1158 C CYS A 76 4.463 -8.968 2.275 1.00 0.28 C ATOM 1159 O CYS A 76 4.826 -8.117 1.459 1.00 0.36 O ATOM 1160 CB CYS A 76 5.989 -8.475 4.220 1.00 0.31 C ATOM 1161 SG CYS A 76 6.590 -6.779 4.050 1.00 0.49 S ATOM 0 H CYS A 76 4.608 -10.383 4.998 1.00 0.25 H new ATOM 0 HA CYS A 76 3.968 -7.763 3.975 1.00 0.28 H new ATOM 0 HB2 CYS A 76 6.091 -8.781 5.261 1.00 0.31 H new ATOM 0 HB3 CYS A 76 6.625 -9.134 3.630 1.00 0.31 H new ATOM 0 HG CYS A 76 6.141 -6.059 5.034 1.00 0.49 H new ATOM 1167 N LEU A 77 4.011 -10.168 1.903 1.00 0.27 N ATOM 1168 CA LEU A 77 3.902 -10.539 0.496 1.00 0.31 C ATOM 1169 C LEU A 77 2.636 -9.954 -0.123 1.00 0.25 C ATOM 1170 O LEU A 77 1.522 -10.424 0.145 1.00 0.31 O ATOM 1171 CB LEU A 77 3.906 -12.063 0.334 1.00 0.41 C ATOM 1172 CG LEU A 77 5.291 -12.715 0.280 1.00 0.54 C ATOM 1173 CD1 LEU A 77 6.084 -12.188 -0.905 1.00 0.76 C ATOM 1174 CD2 LEU A 77 6.046 -12.477 1.578 1.00 0.58 C ATOM 0 H LEU A 77 3.716 -10.894 2.556 1.00 0.27 H new ATOM 0 HA LEU A 77 4.767 -10.129 -0.025 1.00 0.31 H new ATOM 0 HB2 LEU A 77 3.349 -12.501 1.163 1.00 0.41 H new ATOM 0 HB3 LEU A 77 3.368 -12.316 -0.580 1.00 0.41 H new ATOM 0 HG LEU A 77 5.159 -13.790 0.153 1.00 0.54 H new ATOM 0 HD11 LEU A 77 7.065 -12.663 -0.926 1.00 0.76 H new ATOM 0 HD12 LEU A 77 5.551 -12.414 -1.829 1.00 0.76 H new ATOM 0 HD13 LEU A 77 6.205 -11.109 -0.811 1.00 0.76 H new ATOM 0 HD21 LEU A 77 7.027 -12.948 1.520 1.00 0.58 H new ATOM 0 HD22 LEU A 77 6.167 -11.406 1.738 1.00 0.58 H new ATOM 0 HD23 LEU A 77 5.486 -12.907 2.409 1.00 0.58 H new ATOM 1186 N PHE A 78 2.808 -8.936 -0.956 1.00 0.21 N ATOM 1187 CA PHE A 78 1.682 -8.287 -1.614 1.00 0.21 C ATOM 1188 C PHE A 78 1.730 -8.499 -3.124 1.00 0.19 C ATOM 1189 O PHE A 78 2.743 -8.958 -3.667 1.00 0.23 O ATOM 1190 CB PHE A 78 1.672 -6.787 -1.306 1.00 0.26 C ATOM 1191 CG PHE A 78 1.519 -6.467 0.155 1.00 0.29 C ATOM 1192 CD1 PHE A 78 0.265 -6.417 0.738 1.00 0.46 C ATOM 1193 CD2 PHE A 78 2.631 -6.214 0.943 1.00 0.32 C ATOM 1194 CE1 PHE A 78 0.122 -6.121 2.080 1.00 0.53 C ATOM 1195 CE2 PHE A 78 2.494 -5.917 2.285 1.00 0.38 C ATOM 1196 CZ PHE A 78 1.238 -5.870 2.855 1.00 0.45 C ATOM 0 H PHE A 78 3.718 -8.541 -1.192 1.00 0.21 H new ATOM 0 HA PHE A 78 0.768 -8.739 -1.228 1.00 0.21 H new ATOM 0 HB2 PHE A 78 2.600 -6.345 -1.670 1.00 0.26 H new ATOM 0 HB3 PHE A 78 0.858 -6.318 -1.858 1.00 0.26 H new ATOM 0 HD1 PHE A 78 -0.611 -6.611 0.138 1.00 0.46 H new ATOM 0 HD2 PHE A 78 3.616 -6.250 0.502 1.00 0.32 H new ATOM 0 HE1 PHE A 78 -0.862 -6.086 2.523 1.00 0.53 H new ATOM 0 HE2 PHE A 78 3.369 -5.722 2.888 1.00 0.38 H new ATOM 0 HZ PHE A 78 1.128 -5.638 3.904 1.00 0.45 H new ATOM 1206 N LEU A 79 0.622 -8.185 -3.783 1.00 0.21 N ATOM 1207 CA LEU A 79 0.512 -8.309 -5.231 1.00 0.21 C ATOM 1208 C LEU A 79 0.161 -6.947 -5.825 1.00 0.20 C ATOM 1209 O LEU A 79 -0.908 -6.398 -5.536 1.00 0.21 O ATOM 1210 CB LEU A 79 -0.566 -9.340 -5.593 1.00 0.24 C ATOM 1211 CG LEU A 79 -0.303 -10.174 -6.851 1.00 0.30 C ATOM 1212 CD1 LEU A 79 -0.149 -9.281 -8.073 1.00 0.34 C ATOM 1213 CD2 LEU A 79 0.923 -11.056 -6.662 1.00 0.35 C ATOM 0 H LEU A 79 -0.224 -7.838 -3.330 1.00 0.21 H new ATOM 0 HA LEU A 79 1.464 -8.648 -5.640 1.00 0.21 H new ATOM 0 HB2 LEU A 79 -0.688 -10.020 -4.750 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -1.513 -8.816 -5.720 1.00 0.24 H new ATOM 0 HG LEU A 79 -1.164 -10.821 -7.017 1.00 0.30 H new ATOM 0 HD11 LEU A 79 0.037 -9.897 -8.953 1.00 0.34 H new ATOM 0 HD12 LEU A 79 -1.062 -8.705 -8.220 1.00 0.34 H new ATOM 0 HD13 LEU A 79 0.689 -8.600 -7.923 1.00 0.34 H new ATOM 0 HD21 LEU A 79 1.093 -11.641 -7.566 1.00 0.35 H new ATOM 0 HD22 LEU A 79 1.794 -10.431 -6.464 1.00 0.35 H new ATOM 0 HD23 LEU A 79 0.761 -11.729 -5.820 1.00 0.35 H new ATOM 1225 N GLU A 80 1.066 -6.402 -6.632 1.00 0.21 N ATOM 1226 CA GLU A 80 0.861 -5.095 -7.251 1.00 0.22 C ATOM 1227 C GLU A 80 0.440 -5.249 -8.708 1.00 0.22 C ATOM 1228 O GLU A 80 1.221 -5.698 -9.550 1.00 0.35 O ATOM 1229 CB GLU A 80 2.143 -4.252 -7.157 1.00 0.28 C ATOM 1230 CG GLU A 80 2.054 -2.899 -7.858 1.00 0.33 C ATOM 1231 CD GLU A 80 3.258 -2.007 -7.591 1.00 0.36 C ATOM 1232 OE1 GLU A 80 4.403 -2.499 -7.631 1.00 0.57 O ATOM 1233 OE2 GLU A 80 3.067 -0.791 -7.352 1.00 0.45 O ATOM 0 H GLU A 80 1.952 -6.846 -6.874 1.00 0.21 H new ATOM 0 HA GLU A 80 0.063 -4.584 -6.713 1.00 0.22 H new ATOM 0 HB2 GLU A 80 2.381 -4.089 -6.106 1.00 0.28 H new ATOM 0 HB3 GLU A 80 2.969 -4.818 -7.587 1.00 0.28 H new ATOM 0 HG2 GLU A 80 1.959 -3.059 -8.932 1.00 0.33 H new ATOM 0 HG3 GLU A 80 1.150 -2.386 -7.531 1.00 0.33 H new ATOM 1240 N ARG A 81 -0.804 -4.894 -8.998 1.00 0.20 N ATOM 1241 CA ARG A 81 -1.322 -4.980 -10.352 1.00 0.23 C ATOM 1242 C ARG A 81 -1.509 -3.579 -10.925 1.00 0.20 C ATOM 1243 O ARG A 81 -2.539 -2.933 -10.701 1.00 0.24 O ATOM 1244 CB ARG A 81 -2.639 -5.760 -10.378 1.00 0.29 C ATOM 1245 CG ARG A 81 -3.329 -5.756 -11.738 1.00 0.39 C ATOM 1246 CD ARG A 81 -4.655 -6.497 -11.696 1.00 0.50 C ATOM 1247 NE ARG A 81 -5.397 -6.373 -12.953 1.00 0.69 N ATOM 1248 CZ ARG A 81 -6.721 -6.528 -13.063 1.00 0.81 C ATOM 1249 NH1 ARG A 81 -7.455 -6.824 -11.992 1.00 1.12 N ATOM 1250 NH2 ARG A 81 -7.310 -6.386 -14.244 1.00 1.02 N ATOM 0 H ARG A 81 -1.472 -4.544 -8.312 1.00 0.20 H new ATOM 0 HA ARG A 81 -0.604 -5.517 -10.971 1.00 0.23 H new ATOM 0 HB2 ARG A 81 -2.446 -6.791 -10.082 1.00 0.29 H new ATOM 0 HB3 ARG A 81 -3.316 -5.337 -9.636 1.00 0.29 H new ATOM 0 HG2 ARG A 81 -3.496 -4.728 -12.058 1.00 0.39 H new ATOM 0 HG3 ARG A 81 -2.677 -6.218 -12.479 1.00 0.39 H new ATOM 0 HD2 ARG A 81 -4.474 -7.551 -11.485 1.00 0.50 H new ATOM 0 HD3 ARG A 81 -5.261 -6.108 -10.878 1.00 0.50 H new ATOM 0 HE ARG A 81 -4.870 -6.154 -13.799 1.00 0.69 H new ATOM 0 HH11 ARG A 81 -7.008 -6.934 -11.082 1.00 1.12 H new ATOM 0 HH12 ARG A 81 -8.464 -6.941 -12.082 1.00 1.12 H new ATOM 0 HH21 ARG A 81 -6.753 -6.159 -15.068 1.00 1.02 H new ATOM 0 HH22 ARG A 81 -8.320 -6.504 -14.328 1.00 1.02 H new ATOM 1264 N LEU A 82 -0.497 -3.107 -11.640 1.00 0.22 N ATOM 1265 CA LEU A 82 -0.526 -1.785 -12.249 1.00 0.24 C ATOM 1266 C LEU A 82 -1.042 -1.859 -13.683 1.00 0.27 C ATOM 1267 O LEU A 82 -0.394 -2.440 -14.552 1.00 0.40 O ATOM 1268 CB LEU A 82 0.877 -1.164 -12.228 1.00 0.32 C ATOM 1269 CG LEU A 82 1.022 0.154 -12.996 1.00 0.36 C ATOM 1270 CD1 LEU A 82 0.191 1.255 -12.351 1.00 0.43 C ATOM 1271 CD2 LEU A 82 2.485 0.562 -13.077 1.00 0.54 C ATOM 0 H LEU A 82 0.363 -3.627 -11.814 1.00 0.22 H new ATOM 0 HA LEU A 82 -1.204 -1.157 -11.671 1.00 0.24 H new ATOM 0 HB2 LEU A 82 1.166 -0.994 -11.191 1.00 0.32 H new ATOM 0 HB3 LEU A 82 1.582 -1.886 -12.641 1.00 0.32 H new ATOM 0 HG LEU A 82 0.648 0.002 -14.009 1.00 0.36 H new ATOM 0 HD11 LEU A 82 0.312 2.180 -12.915 1.00 0.43 H new ATOM 0 HD12 LEU A 82 -0.860 0.965 -12.350 1.00 0.43 H new ATOM 0 HD13 LEU A 82 0.525 1.410 -11.325 1.00 0.43 H new ATOM 0 HD21 LEU A 82 2.571 1.500 -13.625 1.00 0.54 H new ATOM 0 HD22 LEU A 82 2.883 0.692 -12.071 1.00 0.54 H new ATOM 0 HD23 LEU A 82 3.051 -0.213 -13.593 1.00 0.54 H new ATOM 1283 N GLU A 83 -2.217 -1.285 -13.918 1.00 0.28 N ATOM 1284 CA GLU A 83 -2.798 -1.276 -15.257 1.00 0.36 C ATOM 1285 C GLU A 83 -1.943 -0.405 -16.171 1.00 0.44 C ATOM 1286 O GLU A 83 -1.600 -0.815 -17.277 1.00 1.00 O ATOM 1287 CB GLU A 83 -4.239 -0.754 -15.224 1.00 0.42 C ATOM 1288 CG GLU A 83 -4.982 -0.939 -16.540 1.00 0.67 C ATOM 1289 CD GLU A 83 -5.315 0.374 -17.222 1.00 0.91 C ATOM 1290 OE1 GLU A 83 -4.380 1.115 -17.592 1.00 1.24 O ATOM 1291 OE2 GLU A 83 -6.519 0.667 -17.396 1.00 1.19 O ATOM 0 H GLU A 83 -2.782 -0.823 -13.206 1.00 0.28 H new ATOM 0 HA GLU A 83 -2.819 -2.296 -15.640 1.00 0.36 H new ATOM 0 HB2 GLU A 83 -4.785 -1.267 -14.432 1.00 0.42 H new ATOM 0 HB3 GLU A 83 -4.228 0.305 -14.968 1.00 0.42 H new ATOM 0 HG2 GLU A 83 -4.375 -1.547 -17.211 1.00 0.67 H new ATOM 0 HG3 GLU A 83 -5.904 -1.491 -16.356 1.00 0.67 H new ATOM 1298 N GLU A 84 -1.612 0.790 -15.665 1.00 0.37 N ATOM 1299 CA GLU A 84 -0.781 1.796 -16.349 1.00 0.38 C ATOM 1300 C GLU A 84 -1.509 3.139 -16.409 1.00 0.31 C ATOM 1301 O GLU A 84 -0.881 4.194 -16.302 1.00 0.32 O ATOM 1302 CB GLU A 84 -0.325 1.374 -17.758 1.00 0.50 C ATOM 1303 CG GLU A 84 -1.401 1.456 -18.834 1.00 0.90 C ATOM 1304 CD GLU A 84 -0.832 1.836 -20.182 1.00 0.94 C ATOM 1305 OE1 GLU A 84 0.014 1.084 -20.710 1.00 1.14 O ATOM 1306 OE2 GLU A 84 -1.220 2.896 -20.713 1.00 1.23 O ATOM 0 H GLU A 84 -1.922 1.095 -14.742 1.00 0.37 H new ATOM 0 HA GLU A 84 0.126 1.892 -15.752 1.00 0.38 H new ATOM 0 HB2 GLU A 84 0.514 2.003 -18.056 1.00 0.50 H new ATOM 0 HB3 GLU A 84 0.045 0.350 -17.712 1.00 0.50 H new ATOM 0 HG2 GLU A 84 -1.907 0.494 -18.913 1.00 0.90 H new ATOM 0 HG3 GLU A 84 -2.152 2.188 -18.539 1.00 0.90 H new ATOM 1313 N ASN A 85 -2.835 3.095 -16.566 1.00 0.34 N ATOM 1314 CA ASN A 85 -3.652 4.308 -16.628 1.00 0.37 C ATOM 1315 C ASN A 85 -3.648 5.046 -15.285 1.00 0.29 C ATOM 1316 O ASN A 85 -4.664 5.110 -14.592 1.00 0.33 O ATOM 1317 CB ASN A 85 -5.090 3.965 -17.048 1.00 0.49 C ATOM 1318 CG ASN A 85 -6.007 5.179 -17.074 1.00 0.58 C ATOM 1319 OD1 ASN A 85 -5.555 6.316 -17.236 1.00 0.64 O ATOM 1320 ND2 ASN A 85 -7.305 4.950 -16.918 1.00 0.79 N ATOM 0 H ASN A 85 -3.366 2.229 -16.653 1.00 0.34 H new ATOM 0 HA ASN A 85 -3.217 4.970 -17.377 1.00 0.37 H new ATOM 0 HB2 ASN A 85 -5.074 3.507 -18.037 1.00 0.49 H new ATOM 0 HB3 ASN A 85 -5.497 3.224 -16.360 1.00 0.49 H new ATOM 0 HD21 ASN A 85 -7.965 5.728 -16.930 1.00 0.79 H new ATOM 0 HD22 ASN A 85 -7.642 3.996 -16.786 1.00 0.79 H new ATOM 1327 N HIS A 86 -2.483 5.575 -14.921 1.00 0.28 N ATOM 1328 CA HIS A 86 -2.299 6.335 -13.682 1.00 0.33 C ATOM 1329 C HIS A 86 -2.957 5.666 -12.466 1.00 0.30 C ATOM 1330 O HIS A 86 -3.392 6.353 -11.542 1.00 0.38 O ATOM 1331 CB HIS A 86 -2.832 7.768 -13.851 1.00 0.45 C ATOM 1332 CG HIS A 86 -4.328 7.873 -13.876 1.00 0.50 C ATOM 1333 ND1 HIS A 86 -5.072 7.772 -15.032 1.00 0.69 N ATOM 1334 CD2 HIS A 86 -5.219 8.075 -12.875 1.00 0.58 C ATOM 1335 CE1 HIS A 86 -6.352 7.910 -14.742 1.00 0.78 C ATOM 1336 NE2 HIS A 86 -6.470 8.094 -13.442 1.00 0.71 N ATOM 0 H HIS A 86 -1.633 5.490 -15.479 1.00 0.28 H new ATOM 0 HA HIS A 86 -1.227 6.362 -13.487 1.00 0.33 H new ATOM 0 HB2 HIS A 86 -2.450 8.383 -13.036 1.00 0.45 H new ATOM 0 HB3 HIS A 86 -2.435 8.184 -14.777 1.00 0.45 H new ATOM 0 HD1 HIS A 86 -4.692 7.615 -15.966 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -4.988 8.198 -11.827 1.00 0.58 H new ATOM 0 HE1 HIS A 86 -7.166 7.878 -15.451 1.00 0.78 H new ATOM 1345 N TYR A 87 -3.019 4.336 -12.454 1.00 0.26 N ATOM 1346 CA TYR A 87 -3.617 3.622 -11.329 1.00 0.34 C ATOM 1347 C TYR A 87 -3.212 2.152 -11.322 1.00 0.24 C ATOM 1348 O TYR A 87 -2.944 1.560 -12.374 1.00 0.23 O ATOM 1349 CB TYR A 87 -5.150 3.756 -11.348 1.00 0.53 C ATOM 1350 CG TYR A 87 -5.878 2.604 -12.016 1.00 0.48 C ATOM 1351 CD1 TYR A 87 -5.937 2.495 -13.401 1.00 0.83 C ATOM 1352 CD2 TYR A 87 -6.514 1.626 -11.256 1.00 0.51 C ATOM 1353 CE1 TYR A 87 -6.604 1.451 -14.007 1.00 1.03 C ATOM 1354 CE2 TYR A 87 -7.182 0.577 -11.857 1.00 0.75 C ATOM 1355 CZ TYR A 87 -7.224 0.495 -13.233 1.00 0.95 C ATOM 1356 OH TYR A 87 -7.895 -0.546 -13.839 1.00 1.27 O ATOM 0 H TYR A 87 -2.667 3.737 -13.201 1.00 0.26 H new ATOM 0 HA TYR A 87 -3.239 4.078 -10.414 1.00 0.34 H new ATOM 0 HB2 TYR A 87 -5.506 3.847 -10.322 1.00 0.53 H new ATOM 0 HB3 TYR A 87 -5.414 4.681 -11.860 1.00 0.53 H new ATOM 0 HD1 TYR A 87 -5.452 3.241 -14.013 1.00 0.83 H new ATOM 0 HD2 TYR A 87 -6.485 1.689 -10.178 1.00 0.51 H new ATOM 0 HE1 TYR A 87 -6.640 1.383 -15.084 1.00 1.03 H new ATOM 0 HE2 TYR A 87 -7.669 -0.175 -11.253 1.00 0.75 H new ATOM 0 HH TYR A 87 -8.275 -1.133 -13.153 1.00 1.27 H new ATOM 1366 N ASN A 88 -3.167 1.579 -10.126 1.00 0.24 N ATOM 1367 CA ASN A 88 -2.807 0.179 -9.938 1.00 0.20 C ATOM 1368 C ASN A 88 -3.711 -0.453 -8.881 1.00 0.20 C ATOM 1369 O ASN A 88 -4.569 0.226 -8.310 1.00 0.24 O ATOM 1370 CB ASN A 88 -1.336 0.056 -9.517 1.00 0.21 C ATOM 1371 CG ASN A 88 -1.139 0.154 -8.014 1.00 0.20 C ATOM 1372 OD1 ASN A 88 -1.004 -0.855 -7.329 1.00 0.24 O ATOM 1373 ND2 ASN A 88 -1.159 1.370 -7.487 1.00 0.24 N ATOM 0 H ASN A 88 -3.379 2.072 -9.258 1.00 0.24 H new ATOM 0 HA ASN A 88 -2.942 -0.348 -10.883 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -0.942 -0.898 -9.868 1.00 0.21 H new ATOM 0 HB3 ASN A 88 -0.757 0.840 -10.006 1.00 0.21 H new ATOM 0 HD21 ASN A 88 -1.060 1.491 -6.479 1.00 0.24 H new ATOM 0 HD22 ASN A 88 -1.273 2.185 -8.089 1.00 0.24 H new ATOM 1380 N THR A 89 -3.515 -1.737 -8.620 1.00 0.23 N ATOM 1381 CA THR A 89 -4.309 -2.451 -7.634 1.00 0.26 C ATOM 1382 C THR A 89 -3.425 -3.344 -6.765 1.00 0.21 C ATOM 1383 O THR A 89 -2.641 -4.145 -7.280 1.00 0.25 O ATOM 1384 CB THR A 89 -5.413 -3.302 -8.299 1.00 0.34 C ATOM 1385 OG1 THR A 89 -4.917 -3.952 -9.480 1.00 0.57 O ATOM 1386 CG2 THR A 89 -6.611 -2.438 -8.658 1.00 0.72 C ATOM 0 H THR A 89 -2.807 -2.308 -9.082 1.00 0.23 H new ATOM 0 HA THR A 89 -4.787 -1.700 -7.005 1.00 0.26 H new ATOM 0 HB THR A 89 -5.723 -4.063 -7.583 1.00 0.34 H new ATOM 0 HG1 THR A 89 -4.070 -3.539 -9.750 1.00 0.57 H new ATOM 0 HG21 THR A 89 -7.378 -3.056 -9.125 1.00 0.72 H new ATOM 0 HG22 THR A 89 -7.014 -1.981 -7.754 1.00 0.72 H new ATOM 0 HG23 THR A 89 -6.301 -1.657 -9.352 1.00 0.72 H new ATOM 1394 N TYR A 90 -3.547 -3.187 -5.453 1.00 0.21 N ATOM 1395 CA TYR A 90 -2.767 -3.974 -4.507 1.00 0.21 C ATOM 1396 C TYR A 90 -3.648 -5.008 -3.823 1.00 0.23 C ATOM 1397 O TYR A 90 -4.629 -4.655 -3.163 1.00 0.28 O ATOM 1398 CB TYR A 90 -2.129 -3.075 -3.442 1.00 0.27 C ATOM 1399 CG TYR A 90 -1.044 -2.162 -3.965 1.00 0.25 C ATOM 1400 CD1 TYR A 90 0.199 -2.665 -4.328 1.00 0.26 C ATOM 1401 CD2 TYR A 90 -1.256 -0.796 -4.086 1.00 0.29 C ATOM 1402 CE1 TYR A 90 1.197 -1.834 -4.798 1.00 0.29 C ATOM 1403 CE2 TYR A 90 -0.262 0.042 -4.558 1.00 0.31 C ATOM 1404 CZ TYR A 90 0.962 -0.480 -4.913 1.00 0.31 C ATOM 1405 OH TYR A 90 1.954 0.354 -5.381 1.00 0.36 O ATOM 0 H TYR A 90 -4.182 -2.518 -5.018 1.00 0.21 H new ATOM 0 HA TYR A 90 -1.979 -4.478 -5.066 1.00 0.21 H new ATOM 0 HB2 TYR A 90 -2.908 -2.467 -2.983 1.00 0.27 H new ATOM 0 HB3 TYR A 90 -1.710 -3.704 -2.656 1.00 0.27 H new ATOM 0 HD1 TYR A 90 0.388 -3.725 -4.241 1.00 0.26 H new ATOM 0 HD2 TYR A 90 -2.213 -0.380 -3.807 1.00 0.29 H new ATOM 0 HE1 TYR A 90 2.158 -2.243 -5.074 1.00 0.29 H new ATOM 0 HE2 TYR A 90 -0.445 1.103 -4.648 1.00 0.31 H new ATOM 0 HH TYR A 90 2.584 -0.161 -5.927 1.00 0.36 H new ATOM 1415 N ILE A 91 -3.301 -6.277 -3.983 1.00 0.22 N ATOM 1416 CA ILE A 91 -4.058 -7.360 -3.367 1.00 0.26 C ATOM 1417 C ILE A 91 -3.150 -8.241 -2.515 1.00 0.27 C ATOM 1418 O ILE A 91 -1.928 -8.258 -2.701 1.00 0.27 O ATOM 1419 CB ILE A 91 -4.790 -8.233 -4.413 1.00 0.28 C ATOM 1420 CG1 ILE A 91 -3.799 -8.819 -5.422 1.00 0.26 C ATOM 1421 CG2 ILE A 91 -5.868 -7.423 -5.123 1.00 0.33 C ATOM 1422 CD1 ILE A 91 -4.430 -9.781 -6.409 1.00 0.31 C ATOM 0 H ILE A 91 -2.499 -6.583 -4.535 1.00 0.22 H new ATOM 0 HA ILE A 91 -4.811 -6.891 -2.733 1.00 0.26 H new ATOM 0 HB ILE A 91 -5.270 -9.061 -3.892 1.00 0.28 H new ATOM 0 HG12 ILE A 91 -3.330 -8.004 -5.973 1.00 0.26 H new ATOM 0 HG13 ILE A 91 -3.006 -9.336 -4.881 1.00 0.26 H new ATOM 0 HG21 ILE A 91 -6.373 -8.053 -5.856 1.00 0.33 H new ATOM 0 HG22 ILE A 91 -6.593 -7.063 -4.393 1.00 0.33 H new ATOM 0 HG23 ILE A 91 -5.410 -6.573 -5.629 1.00 0.33 H new ATOM 0 HD11 ILE A 91 -3.667 -10.155 -7.091 1.00 0.31 H new ATOM 0 HD12 ILE A 91 -4.875 -10.617 -5.869 1.00 0.31 H new ATOM 0 HD13 ILE A 91 -5.203 -9.264 -6.977 1.00 0.31 H new ATOM 1434 N SER A 92 -3.753 -8.956 -1.578 1.00 0.33 N ATOM 1435 CA SER A 92 -3.017 -9.841 -0.685 1.00 0.37 C ATOM 1436 C SER A 92 -2.488 -11.053 -1.451 1.00 0.31 C ATOM 1437 O SER A 92 -3.263 -11.824 -2.013 1.00 0.44 O ATOM 1438 CB SER A 92 -3.925 -10.291 0.466 1.00 0.50 C ATOM 1439 OG SER A 92 -4.761 -9.228 0.910 1.00 0.82 O ATOM 0 H SER A 92 -4.760 -8.941 -1.415 1.00 0.33 H new ATOM 0 HA SER A 92 -2.166 -9.298 -0.273 1.00 0.37 H new ATOM 0 HB2 SER A 92 -4.541 -11.129 0.140 1.00 0.50 H new ATOM 0 HB3 SER A 92 -3.315 -10.648 1.296 1.00 0.50 H new ATOM 0 HG SER A 92 -5.330 -9.544 1.643 1.00 0.82 H new ATOM 1445 N LYS A 93 -1.168 -11.213 -1.472 1.00 0.31 N ATOM 1446 CA LYS A 93 -0.548 -12.332 -2.173 1.00 0.31 C ATOM 1447 C LYS A 93 -0.732 -13.628 -1.383 1.00 0.29 C ATOM 1448 O LYS A 93 -1.394 -14.557 -1.844 1.00 0.35 O ATOM 1449 CB LYS A 93 0.941 -12.047 -2.413 1.00 0.42 C ATOM 1450 CG LYS A 93 1.674 -13.138 -3.181 1.00 0.55 C ATOM 1451 CD LYS A 93 2.116 -14.272 -2.266 1.00 0.74 C ATOM 1452 CE LYS A 93 3.483 -14.810 -2.665 1.00 0.80 C ATOM 1453 NZ LYS A 93 3.449 -15.551 -3.955 1.00 0.80 N ATOM 0 H LYS A 93 -0.509 -10.584 -1.013 1.00 0.31 H new ATOM 0 HA LYS A 93 -1.036 -12.453 -3.140 1.00 0.31 H new ATOM 0 HB2 LYS A 93 1.035 -11.109 -2.960 1.00 0.42 H new ATOM 0 HB3 LYS A 93 1.431 -11.905 -1.450 1.00 0.42 H new ATOM 0 HG2 LYS A 93 1.024 -13.533 -3.962 1.00 0.55 H new ATOM 0 HG3 LYS A 93 2.545 -12.711 -3.678 1.00 0.55 H new ATOM 0 HD2 LYS A 93 2.150 -13.918 -1.236 1.00 0.74 H new ATOM 0 HD3 LYS A 93 1.382 -15.077 -2.302 1.00 0.74 H new ATOM 0 HE2 LYS A 93 4.187 -13.982 -2.744 1.00 0.80 H new ATOM 0 HE3 LYS A 93 3.854 -15.470 -1.880 1.00 0.80 H new ATOM 0 HZ1 LYS A 93 3.595 -16.565 -3.777 1.00 0.80 H new ATOM 0 HZ2 LYS A 93 2.526 -15.409 -4.413 1.00 0.80 H new ATOM 0 HZ3 LYS A 93 4.203 -15.197 -4.578 1.00 0.80 H new ATOM 1467 N LYS A 94 -0.162 -13.673 -0.180 1.00 0.28 N ATOM 1468 CA LYS A 94 -0.261 -14.860 0.669 1.00 0.31 C ATOM 1469 C LYS A 94 -1.721 -15.226 0.937 1.00 0.31 C ATOM 1470 O LYS A 94 -2.092 -16.400 0.910 1.00 0.56 O ATOM 1471 CB LYS A 94 0.464 -14.634 2.000 1.00 0.36 C ATOM 1472 CG LYS A 94 0.333 -15.797 2.969 1.00 0.55 C ATOM 1473 CD LYS A 94 1.009 -15.500 4.293 1.00 0.55 C ATOM 1474 CE LYS A 94 0.779 -16.621 5.290 1.00 0.63 C ATOM 1475 NZ LYS A 94 1.522 -16.413 6.563 1.00 0.69 N ATOM 0 H LYS A 94 0.371 -12.905 0.228 1.00 0.28 H new ATOM 0 HA LYS A 94 0.214 -15.685 0.138 1.00 0.31 H new ATOM 0 HB2 LYS A 94 1.521 -14.454 1.803 1.00 0.36 H new ATOM 0 HB3 LYS A 94 0.070 -13.733 2.471 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -0.722 -16.013 3.139 1.00 0.55 H new ATOM 0 HG3 LYS A 94 0.774 -16.691 2.527 1.00 0.55 H new ATOM 0 HD2 LYS A 94 2.079 -15.364 4.136 1.00 0.55 H new ATOM 0 HD3 LYS A 94 0.625 -14.564 4.699 1.00 0.55 H new ATOM 0 HE2 LYS A 94 -0.287 -16.700 5.504 1.00 0.63 H new ATOM 0 HE3 LYS A 94 1.085 -17.568 4.845 1.00 0.63 H new ATOM 0 HZ1 LYS A 94 0.996 -16.850 7.347 1.00 0.69 H new ATOM 0 HZ2 LYS A 94 2.463 -16.850 6.491 1.00 0.69 H new ATOM 0 HZ3 LYS A 94 1.626 -15.394 6.742 1.00 0.69 H new ATOM 1489 N HIS A 95 -2.550 -14.213 1.183 1.00 0.27 N ATOM 1490 CA HIS A 95 -3.963 -14.441 1.471 1.00 0.28 C ATOM 1491 C HIS A 95 -4.801 -14.365 0.197 1.00 0.27 C ATOM 1492 O HIS A 95 -5.862 -13.740 0.180 1.00 0.33 O ATOM 1493 CB HIS A 95 -4.472 -13.425 2.502 1.00 0.36 C ATOM 1494 CG HIS A 95 -3.820 -13.552 3.846 1.00 0.41 C ATOM 1495 ND1 HIS A 95 -4.106 -14.566 4.732 1.00 0.64 N ATOM 1496 CD2 HIS A 95 -2.878 -12.786 4.449 1.00 0.46 C ATOM 1497 CE1 HIS A 95 -3.372 -14.417 5.821 1.00 0.65 C ATOM 1498 NE2 HIS A 95 -2.620 -13.344 5.672 1.00 0.50 N ATOM 0 H HIS A 95 -2.269 -13.232 1.189 1.00 0.27 H new ATOM 0 HA HIS A 95 -4.064 -15.444 1.887 1.00 0.28 H new ATOM 0 HB2 HIS A 95 -4.304 -12.418 2.120 1.00 0.36 H new ATOM 0 HB3 HIS A 95 -5.549 -13.546 2.618 1.00 0.36 H new ATOM 0 HD2 HIS A 95 -2.416 -11.899 4.040 1.00 0.46 H new ATOM 0 HE1 HIS A 95 -3.386 -15.064 6.686 1.00 0.65 H new ATOM 0 HE2 HIS A 95 -1.954 -12.988 6.357 1.00 0.50 H new ATOM 1507 N ALA A 96 -4.326 -15.017 -0.865 1.00 0.31 N ATOM 1508 CA ALA A 96 -5.033 -15.030 -2.146 1.00 0.35 C ATOM 1509 C ALA A 96 -6.510 -15.391 -1.964 1.00 0.34 C ATOM 1510 O ALA A 96 -7.370 -14.901 -2.698 1.00 0.41 O ATOM 1511 CB ALA A 96 -4.362 -15.998 -3.110 1.00 0.44 C ATOM 0 H ALA A 96 -3.453 -15.544 -0.863 1.00 0.31 H new ATOM 0 HA ALA A 96 -4.986 -14.025 -2.566 1.00 0.35 H new ATOM 0 HB1 ALA A 96 -4.899 -15.997 -4.059 1.00 0.44 H new ATOM 0 HB2 ALA A 96 -3.330 -15.689 -3.277 1.00 0.44 H new ATOM 0 HB3 ALA A 96 -4.376 -17.002 -2.686 1.00 0.44 H new ATOM 1517 N GLU A 97 -6.797 -16.252 -0.990 1.00 0.34 N ATOM 1518 CA GLU A 97 -8.170 -16.665 -0.708 1.00 0.38 C ATOM 1519 C GLU A 97 -9.056 -15.460 -0.385 1.00 0.37 C ATOM 1520 O GLU A 97 -10.263 -15.488 -0.638 1.00 0.50 O ATOM 1521 CB GLU A 97 -8.207 -17.652 0.462 1.00 0.46 C ATOM 1522 CG GLU A 97 -7.743 -19.052 0.097 1.00 0.57 C ATOM 1523 CD GLU A 97 -8.632 -19.707 -0.941 1.00 0.73 C ATOM 1524 OE1 GLU A 97 -9.664 -20.295 -0.561 1.00 0.97 O ATOM 1525 OE2 GLU A 97 -8.304 -19.640 -2.141 1.00 0.93 O ATOM 0 H GLU A 97 -6.097 -16.677 -0.383 1.00 0.34 H new ATOM 0 HA GLU A 97 -8.555 -17.152 -1.604 1.00 0.38 H new ATOM 0 HB2 GLU A 97 -7.580 -17.270 1.268 1.00 0.46 H new ATOM 0 HB3 GLU A 97 -9.225 -17.706 0.848 1.00 0.46 H new ATOM 0 HG2 GLU A 97 -6.722 -19.005 -0.281 1.00 0.57 H new ATOM 0 HG3 GLU A 97 -7.722 -19.670 0.995 1.00 0.57 H new ATOM 1532 N LYS A 98 -8.452 -14.407 0.159 1.00 0.33 N ATOM 1533 CA LYS A 98 -9.182 -13.201 0.527 1.00 0.38 C ATOM 1534 C LYS A 98 -8.448 -11.967 0.001 1.00 0.37 C ATOM 1535 O LYS A 98 -8.036 -11.091 0.768 1.00 0.47 O ATOM 1536 CB LYS A 98 -9.348 -13.134 2.050 1.00 0.48 C ATOM 1537 CG LYS A 98 -9.994 -14.381 2.639 1.00 0.60 C ATOM 1538 CD LYS A 98 -9.823 -14.454 4.150 1.00 0.70 C ATOM 1539 CE LYS A 98 -10.742 -13.480 4.869 1.00 0.78 C ATOM 1540 NZ LYS A 98 -10.791 -13.738 6.333 1.00 0.89 N ATOM 0 H LYS A 98 -7.452 -14.367 0.355 1.00 0.33 H new ATOM 0 HA LYS A 98 -10.174 -13.227 0.076 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -8.370 -12.988 2.509 1.00 0.48 H new ATOM 0 HB3 LYS A 98 -9.953 -12.264 2.305 1.00 0.48 H new ATOM 0 HG2 LYS A 98 -11.056 -14.389 2.394 1.00 0.60 H new ATOM 0 HG3 LYS A 98 -9.554 -15.267 2.181 1.00 0.60 H new ATOM 0 HD2 LYS A 98 -10.030 -15.468 4.491 1.00 0.70 H new ATOM 0 HD3 LYS A 98 -8.787 -14.236 4.410 1.00 0.70 H new ATOM 0 HE2 LYS A 98 -10.400 -12.460 4.692 1.00 0.78 H new ATOM 0 HE3 LYS A 98 -11.747 -13.556 4.454 1.00 0.78 H new ATOM 0 HZ1 LYS A 98 -11.429 -13.052 6.785 1.00 0.89 H new ATOM 0 HZ2 LYS A 98 -11.142 -14.702 6.504 1.00 0.89 H new ATOM 0 HZ3 LYS A 98 -9.837 -13.641 6.735 1.00 0.89 H new ATOM 1554 N ASN A 99 -8.283 -11.915 -1.316 1.00 0.40 N ATOM 1555 CA ASN A 99 -7.591 -10.806 -1.967 1.00 0.48 C ATOM 1556 C ASN A 99 -8.434 -9.533 -1.938 1.00 0.44 C ATOM 1557 O ASN A 99 -9.081 -9.174 -2.922 1.00 0.78 O ATOM 1558 CB ASN A 99 -7.221 -11.163 -3.417 1.00 0.64 C ATOM 1559 CG ASN A 99 -8.426 -11.502 -4.286 1.00 0.72 C ATOM 1560 OD1 ASN A 99 -9.396 -12.112 -3.830 1.00 0.82 O ATOM 1561 ND2 ASN A 99 -8.370 -11.113 -5.552 1.00 1.07 N ATOM 0 H ASN A 99 -8.621 -12.632 -1.958 1.00 0.40 H new ATOM 0 HA ASN A 99 -6.673 -10.622 -1.409 1.00 0.48 H new ATOM 0 HB2 ASN A 99 -6.685 -10.325 -3.864 1.00 0.64 H new ATOM 0 HB3 ASN A 99 -6.537 -12.012 -3.411 1.00 0.64 H new ATOM 0 HD21 ASN A 99 -9.145 -11.316 -6.183 1.00 1.07 H new ATOM 0 HD22 ASN A 99 -7.552 -10.610 -5.895 1.00 1.07 H new ATOM 1568 N TRP A 100 -8.424 -8.857 -0.797 1.00 0.33 N ATOM 1569 CA TRP A 100 -9.182 -7.621 -0.633 1.00 0.32 C ATOM 1570 C TRP A 100 -8.313 -6.401 -0.930 1.00 0.32 C ATOM 1571 O TRP A 100 -7.266 -6.208 -0.306 1.00 0.46 O ATOM 1572 CB TRP A 100 -9.761 -7.518 0.780 1.00 0.38 C ATOM 1573 CG TRP A 100 -10.908 -8.452 1.024 1.00 0.41 C ATOM 1574 CD1 TRP A 100 -11.027 -9.366 2.034 1.00 0.54 C ATOM 1575 CD2 TRP A 100 -12.103 -8.565 0.238 1.00 0.57 C ATOM 1576 NE1 TRP A 100 -12.221 -10.038 1.921 1.00 0.59 N ATOM 1577 CE2 TRP A 100 -12.898 -9.564 0.830 1.00 0.63 C ATOM 1578 CE3 TRP A 100 -12.576 -7.917 -0.907 1.00 0.83 C ATOM 1579 CZ2 TRP A 100 -14.139 -9.930 0.314 1.00 0.85 C ATOM 1580 CZ3 TRP A 100 -13.806 -8.281 -1.419 1.00 1.09 C ATOM 1581 CH2 TRP A 100 -14.576 -9.279 -0.807 1.00 1.08 C ATOM 0 H TRP A 100 -7.900 -9.143 0.030 1.00 0.33 H new ATOM 0 HA TRP A 100 -10.005 -7.643 -1.347 1.00 0.32 H new ATOM 0 HB2 TRP A 100 -8.973 -7.726 1.504 1.00 0.38 H new ATOM 0 HB3 TRP A 100 -10.092 -6.494 0.955 1.00 0.38 H new ATOM 0 HD1 TRP A 100 -10.291 -9.535 2.807 1.00 0.54 H new ATOM 0 HE1 TRP A 100 -12.549 -10.772 2.549 1.00 0.59 H new ATOM 0 HE3 TRP A 100 -11.990 -7.145 -1.383 1.00 0.83 H new ATOM 0 HZ2 TRP A 100 -14.735 -10.700 0.782 1.00 0.85 H new ATOM 0 HZ3 TRP A 100 -14.180 -7.789 -2.305 1.00 1.09 H new ATOM 0 HH2 TRP A 100 -15.535 -9.540 -1.229 1.00 1.08 H new ATOM 1592 N PHE A 101 -8.754 -5.589 -1.891 1.00 0.28 N ATOM 1593 CA PHE A 101 -8.031 -4.376 -2.277 1.00 0.29 C ATOM 1594 C PHE A 101 -7.806 -3.467 -1.069 1.00 0.29 C ATOM 1595 O PHE A 101 -8.691 -3.302 -0.217 1.00 0.38 O ATOM 1596 CB PHE A 101 -8.794 -3.609 -3.367 1.00 0.34 C ATOM 1597 CG PHE A 101 -8.997 -4.392 -4.636 1.00 0.41 C ATOM 1598 CD1 PHE A 101 -7.970 -4.522 -5.558 1.00 0.49 C ATOM 1599 CD2 PHE A 101 -10.217 -4.993 -4.908 1.00 0.54 C ATOM 1600 CE1 PHE A 101 -8.158 -5.237 -6.727 1.00 0.60 C ATOM 1601 CE2 PHE A 101 -10.409 -5.707 -6.075 1.00 0.64 C ATOM 1602 CZ PHE A 101 -9.380 -5.830 -6.985 1.00 0.64 C ATOM 0 H PHE A 101 -9.612 -5.750 -2.419 1.00 0.28 H new ATOM 0 HA PHE A 101 -7.062 -4.681 -2.672 1.00 0.29 H new ATOM 0 HB2 PHE A 101 -9.767 -3.312 -2.975 1.00 0.34 H new ATOM 0 HB3 PHE A 101 -8.251 -2.693 -3.600 1.00 0.34 H new ATOM 0 HD1 PHE A 101 -7.014 -4.060 -5.362 1.00 0.49 H new ATOM 0 HD2 PHE A 101 -11.027 -4.902 -4.199 1.00 0.54 H new ATOM 0 HE1 PHE A 101 -7.351 -5.332 -7.438 1.00 0.60 H new ATOM 0 HE2 PHE A 101 -11.365 -6.169 -6.275 1.00 0.64 H new ATOM 0 HZ PHE A 101 -9.528 -6.388 -7.897 1.00 0.64 H new ATOM 1612 N VAL A 102 -6.619 -2.875 -1.008 1.00 0.30 N ATOM 1613 CA VAL A 102 -6.251 -1.983 0.089 1.00 0.35 C ATOM 1614 C VAL A 102 -6.969 -0.626 -0.025 1.00 0.55 C ATOM 1615 O VAL A 102 -8.017 -0.521 -0.674 1.00 1.36 O ATOM 1616 CB VAL A 102 -4.719 -1.771 0.138 1.00 0.57 C ATOM 1617 CG1 VAL A 102 -4.001 -3.104 0.303 1.00 0.67 C ATOM 1618 CG2 VAL A 102 -4.232 -1.045 -1.113 1.00 0.82 C ATOM 0 H VAL A 102 -5.889 -2.997 -1.710 1.00 0.30 H new ATOM 0 HA VAL A 102 -6.569 -2.460 1.016 1.00 0.35 H new ATOM 0 HB VAL A 102 -4.487 -1.147 1.001 1.00 0.57 H new ATOM 0 HG11 VAL A 102 -2.925 -2.936 0.336 1.00 0.67 H new ATOM 0 HG12 VAL A 102 -4.322 -3.578 1.230 1.00 0.67 H new ATOM 0 HG13 VAL A 102 -4.242 -3.753 -0.539 1.00 0.67 H new ATOM 0 HG21 VAL A 102 -3.152 -0.907 -1.056 1.00 0.82 H new ATOM 0 HG22 VAL A 102 -4.477 -1.636 -1.995 1.00 0.82 H new ATOM 0 HG23 VAL A 102 -4.719 -0.072 -1.182 1.00 0.82 H new ATOM 1628 N GLY A 103 -6.423 0.402 0.626 1.00 0.48 N ATOM 1629 CA GLY A 103 -7.019 1.724 0.574 1.00 0.46 C ATOM 1630 C GLY A 103 -7.140 2.350 1.949 1.00 0.41 C ATOM 1631 O GLY A 103 -7.697 1.738 2.866 1.00 0.59 O ATOM 0 H GLY A 103 -5.575 0.339 1.190 1.00 0.48 H new ATOM 0 HA2 GLY A 103 -6.415 2.368 -0.065 1.00 0.46 H new ATOM 0 HA3 GLY A 103 -8.007 1.658 0.118 1.00 0.46 H new ATOM 1635 N LEU A 104 -6.616 3.560 2.096 1.00 0.37 N ATOM 1636 CA LEU A 104 -6.668 4.269 3.369 1.00 0.34 C ATOM 1637 C LEU A 104 -7.335 5.629 3.197 1.00 0.34 C ATOM 1638 O LEU A 104 -7.474 6.127 2.079 1.00 0.49 O ATOM 1639 CB LEU A 104 -5.260 4.449 3.955 1.00 0.38 C ATOM 1640 CG LEU A 104 -4.299 5.288 3.105 1.00 0.46 C ATOM 1641 CD1 LEU A 104 -3.423 6.159 3.992 1.00 0.69 C ATOM 1642 CD2 LEU A 104 -3.438 4.392 2.222 1.00 0.66 C ATOM 0 H LEU A 104 -6.149 4.072 1.348 1.00 0.37 H new ATOM 0 HA LEU A 104 -7.258 3.669 4.062 1.00 0.34 H new ATOM 0 HB2 LEU A 104 -5.350 4.913 4.937 1.00 0.38 H new ATOM 0 HB3 LEU A 104 -4.819 3.464 4.107 1.00 0.38 H new ATOM 0 HG LEU A 104 -4.892 5.937 2.461 1.00 0.46 H new ATOM 0 HD11 LEU A 104 -2.747 6.747 3.371 1.00 0.69 H new ATOM 0 HD12 LEU A 104 -4.052 6.828 4.579 1.00 0.69 H new ATOM 0 HD13 LEU A 104 -2.841 5.526 4.662 1.00 0.69 H new ATOM 0 HD21 LEU A 104 -2.763 5.008 1.627 1.00 0.66 H new ATOM 0 HD22 LEU A 104 -2.856 3.716 2.848 1.00 0.66 H new ATOM 0 HD23 LEU A 104 -4.079 3.811 1.559 1.00 0.66 H new ATOM 1654 N LYS A 105 -7.757 6.213 4.310 1.00 0.39 N ATOM 1655 CA LYS A 105 -8.400 7.516 4.298 1.00 0.41 C ATOM 1656 C LYS A 105 -7.459 8.562 4.882 1.00 0.32 C ATOM 1657 O LYS A 105 -6.873 8.348 5.947 1.00 0.34 O ATOM 1658 CB LYS A 105 -9.707 7.477 5.098 1.00 0.58 C ATOM 1659 CG LYS A 105 -10.814 8.336 4.509 1.00 0.58 C ATOM 1660 CD LYS A 105 -11.320 7.758 3.198 1.00 0.61 C ATOM 1661 CE LYS A 105 -12.579 8.462 2.716 1.00 0.73 C ATOM 1662 NZ LYS A 105 -12.289 9.801 2.137 1.00 0.60 N ATOM 0 H LYS A 105 -7.664 5.800 5.238 1.00 0.39 H new ATOM 0 HA LYS A 105 -8.634 7.782 3.267 1.00 0.41 H new ATOM 0 HB2 LYS A 105 -10.054 6.445 5.159 1.00 0.58 H new ATOM 0 HB3 LYS A 105 -9.508 7.807 6.118 1.00 0.58 H new ATOM 0 HG2 LYS A 105 -11.638 8.409 5.219 1.00 0.58 H new ATOM 0 HG3 LYS A 105 -10.444 9.348 4.344 1.00 0.58 H new ATOM 0 HD2 LYS A 105 -10.542 7.845 2.439 1.00 0.61 H new ATOM 0 HD3 LYS A 105 -11.525 6.695 3.325 1.00 0.61 H new ATOM 0 HE2 LYS A 105 -13.074 7.844 1.967 1.00 0.73 H new ATOM 0 HE3 LYS A 105 -13.273 8.571 3.549 1.00 0.73 H new ATOM 0 HZ1 LYS A 105 -13.181 10.311 1.979 1.00 0.60 H new ATOM 0 HZ2 LYS A 105 -11.693 10.342 2.795 1.00 0.60 H new ATOM 0 HZ3 LYS A 105 -11.790 9.687 1.232 1.00 0.60 H new ATOM 1676 N LYS A 106 -7.322 9.685 4.181 1.00 0.36 N ATOM 1677 CA LYS A 106 -6.445 10.780 4.610 1.00 0.46 C ATOM 1678 C LYS A 106 -6.534 11.021 6.117 1.00 0.51 C ATOM 1679 O LYS A 106 -5.528 11.314 6.766 1.00 0.67 O ATOM 1680 CB LYS A 106 -6.785 12.063 3.851 1.00 0.60 C ATOM 1681 CG LYS A 106 -8.220 12.526 4.039 1.00 0.67 C ATOM 1682 CD LYS A 106 -8.498 13.794 3.251 1.00 0.90 C ATOM 1683 CE LYS A 106 -9.913 14.294 3.475 1.00 1.14 C ATOM 1684 NZ LYS A 106 -10.259 15.411 2.557 1.00 1.43 N ATOM 0 H LYS A 106 -7.811 9.865 3.304 1.00 0.36 H new ATOM 0 HA LYS A 106 -5.420 10.488 4.380 1.00 0.46 H new ATOM 0 HB2 LYS A 106 -6.112 12.856 4.177 1.00 0.60 H new ATOM 0 HB3 LYS A 106 -6.601 11.905 2.788 1.00 0.60 H new ATOM 0 HG2 LYS A 106 -8.903 11.739 3.719 1.00 0.67 H new ATOM 0 HG3 LYS A 106 -8.412 12.704 5.097 1.00 0.67 H new ATOM 0 HD2 LYS A 106 -7.788 14.568 3.544 1.00 0.90 H new ATOM 0 HD3 LYS A 106 -8.343 13.604 2.189 1.00 0.90 H new ATOM 0 HE2 LYS A 106 -10.615 13.473 3.329 1.00 1.14 H new ATOM 0 HE3 LYS A 106 -10.021 14.626 4.508 1.00 1.14 H new ATOM 0 HZ1 LYS A 106 -11.233 15.724 2.742 1.00 1.43 H new ATOM 0 HZ2 LYS A 106 -9.605 16.204 2.714 1.00 1.43 H new ATOM 0 HZ3 LYS A 106 -10.181 15.088 1.572 1.00 1.43 H new ATOM 1698 N ASN A 107 -7.743 10.900 6.663 1.00 0.53 N ATOM 1699 CA ASN A 107 -7.980 11.081 8.097 1.00 0.70 C ATOM 1700 C ASN A 107 -6.979 10.280 8.937 1.00 0.65 C ATOM 1701 O ASN A 107 -6.625 10.686 10.046 1.00 0.82 O ATOM 1702 CB ASN A 107 -9.422 10.674 8.439 1.00 0.83 C ATOM 1703 CG ASN A 107 -9.540 9.874 9.730 1.00 1.04 C ATOM 1704 OD1 ASN A 107 -9.573 8.643 9.704 1.00 1.17 O ATOM 1705 ND2 ASN A 107 -9.608 10.563 10.858 1.00 1.38 N ATOM 0 H ASN A 107 -8.582 10.675 6.129 1.00 0.53 H new ATOM 0 HA ASN A 107 -7.837 12.134 8.338 1.00 0.70 H new ATOM 0 HB2 ASN A 107 -10.034 11.572 8.521 1.00 0.83 H new ATOM 0 HB3 ASN A 107 -9.829 10.084 7.617 1.00 0.83 H new ATOM 0 HD21 ASN A 107 -9.691 10.075 11.750 1.00 1.38 H new ATOM 0 HD22 ASN A 107 -9.577 11.582 10.836 1.00 1.38 H new ATOM 1712 N GLY A 108 -6.521 9.149 8.401 1.00 0.49 N ATOM 1713 CA GLY A 108 -5.570 8.316 9.113 1.00 0.55 C ATOM 1714 C GLY A 108 -6.159 6.972 9.490 1.00 0.52 C ATOM 1715 O GLY A 108 -6.147 6.585 10.660 1.00 1.00 O ATOM 0 H GLY A 108 -6.794 8.796 7.484 1.00 0.49 H new ATOM 0 HA2 GLY A 108 -4.687 8.163 8.492 1.00 0.55 H new ATOM 0 HA3 GLY A 108 -5.240 8.832 10.014 1.00 0.55 H new ATOM 1719 N SER A 109 -6.695 6.267 8.501 1.00 0.52 N ATOM 1720 CA SER A 109 -7.299 4.958 8.721 1.00 0.56 C ATOM 1721 C SER A 109 -7.345 4.166 7.416 1.00 0.51 C ATOM 1722 O SER A 109 -7.634 4.724 6.354 1.00 0.81 O ATOM 1723 CB SER A 109 -8.715 5.111 9.295 1.00 0.75 C ATOM 1724 OG SER A 109 -8.691 5.457 10.674 1.00 0.97 O ATOM 0 H SER A 109 -6.724 6.583 7.532 1.00 0.52 H new ATOM 0 HA SER A 109 -6.687 4.413 9.440 1.00 0.56 H new ATOM 0 HB2 SER A 109 -9.252 5.878 8.737 1.00 0.75 H new ATOM 0 HB3 SER A 109 -9.263 4.178 9.164 1.00 0.75 H new ATOM 0 HG SER A 109 -7.808 5.814 10.906 1.00 0.97 H new ATOM 1730 N CYS A 110 -7.040 2.876 7.498 1.00 0.37 N ATOM 1731 CA CYS A 110 -7.053 2.003 6.329 1.00 0.38 C ATOM 1732 C CYS A 110 -8.391 1.274 6.238 1.00 0.36 C ATOM 1733 O CYS A 110 -8.942 0.854 7.256 1.00 0.54 O ATOM 1734 CB CYS A 110 -5.908 0.990 6.419 1.00 0.47 C ATOM 1735 SG CYS A 110 -4.342 1.693 6.997 1.00 0.61 S ATOM 0 H CYS A 110 -6.779 2.409 8.367 1.00 0.37 H new ATOM 0 HA CYS A 110 -6.919 2.609 5.433 1.00 0.38 H new ATOM 0 HB2 CYS A 110 -6.202 0.184 7.091 1.00 0.47 H new ATOM 0 HB3 CYS A 110 -5.753 0.545 5.436 1.00 0.47 H new ATOM 0 HG CYS A 110 -3.552 0.735 7.381 1.00 0.61 H new ATOM 1741 N LYS A 111 -8.920 1.134 5.028 1.00 0.38 N ATOM 1742 CA LYS A 111 -10.193 0.452 4.834 1.00 0.44 C ATOM 1743 C LYS A 111 -10.059 -0.678 3.823 1.00 0.47 C ATOM 1744 O LYS A 111 -10.198 -0.475 2.613 1.00 0.88 O ATOM 1745 CB LYS A 111 -11.290 1.435 4.405 1.00 0.60 C ATOM 1746 CG LYS A 111 -11.610 2.480 5.463 1.00 0.69 C ATOM 1747 CD LYS A 111 -12.005 1.834 6.785 1.00 0.79 C ATOM 1748 CE LYS A 111 -12.241 2.872 7.871 1.00 0.94 C ATOM 1749 NZ LYS A 111 -12.347 2.256 9.220 1.00 1.27 N ATOM 0 H LYS A 111 -8.490 1.482 4.171 1.00 0.38 H new ATOM 0 HA LYS A 111 -10.484 0.019 5.791 1.00 0.44 H new ATOM 0 HB2 LYS A 111 -10.979 1.938 3.490 1.00 0.60 H new ATOM 0 HB3 LYS A 111 -12.196 0.877 4.170 1.00 0.60 H new ATOM 0 HG2 LYS A 111 -10.743 3.122 5.616 1.00 0.69 H new ATOM 0 HG3 LYS A 111 -12.421 3.118 5.112 1.00 0.69 H new ATOM 0 HD2 LYS A 111 -12.910 1.242 6.645 1.00 0.79 H new ATOM 0 HD3 LYS A 111 -11.221 1.147 7.103 1.00 0.79 H new ATOM 0 HE2 LYS A 111 -11.424 3.594 7.866 1.00 0.94 H new ATOM 0 HE3 LYS A 111 -13.155 3.424 7.652 1.00 0.94 H new ATOM 0 HZ1 LYS A 111 -12.508 2.999 9.929 1.00 1.27 H new ATOM 0 HZ2 LYS A 111 -13.142 1.586 9.234 1.00 1.27 H new ATOM 0 HZ3 LYS A 111 -11.465 1.751 9.441 1.00 1.27 H new ATOM 1763 N ARG A 112 -9.759 -1.864 4.337 1.00 0.36 N ATOM 1764 CA ARG A 112 -9.621 -3.061 3.515 1.00 0.36 C ATOM 1765 C ARG A 112 -10.614 -4.118 3.995 1.00 0.37 C ATOM 1766 O ARG A 112 -11.403 -4.645 3.213 1.00 0.47 O ATOM 1767 CB ARG A 112 -8.185 -3.597 3.587 1.00 0.39 C ATOM 1768 CG ARG A 112 -7.941 -4.846 2.748 1.00 0.42 C ATOM 1769 CD ARG A 112 -7.725 -6.080 3.618 1.00 0.55 C ATOM 1770 NE ARG A 112 -6.541 -5.964 4.485 1.00 0.81 N ATOM 1771 CZ ARG A 112 -6.121 -6.924 5.330 1.00 1.24 C ATOM 1772 NH1 ARG A 112 -6.768 -8.087 5.408 1.00 1.69 N ATOM 1773 NH2 ARG A 112 -5.051 -6.718 6.097 1.00 1.57 N ATOM 0 H ARG A 112 -9.605 -2.024 5.333 1.00 0.36 H new ATOM 0 HA ARG A 112 -9.836 -2.813 2.476 1.00 0.36 H new ATOM 0 HB2 ARG A 112 -7.500 -2.814 3.261 1.00 0.39 H new ATOM 0 HB3 ARG A 112 -7.944 -3.818 4.627 1.00 0.39 H new ATOM 0 HG2 ARG A 112 -8.792 -5.012 2.087 1.00 0.42 H new ATOM 0 HG3 ARG A 112 -7.069 -4.692 2.112 1.00 0.42 H new ATOM 0 HD2 ARG A 112 -8.608 -6.243 4.236 1.00 0.55 H new ATOM 0 HD3 ARG A 112 -7.617 -6.956 2.978 1.00 0.55 H new ATOM 0 HE ARG A 112 -6.003 -5.098 4.443 1.00 0.81 H new ATOM 0 HH11 ARG A 112 -7.588 -8.255 4.825 1.00 1.69 H new ATOM 0 HH12 ARG A 112 -6.443 -8.809 6.051 1.00 1.69 H new ATOM 0 HH21 ARG A 112 -4.549 -5.832 6.044 1.00 1.57 H new ATOM 0 HH22 ARG A 112 -4.734 -7.447 6.737 1.00 1.57 H new ATOM 1787 N GLY A 113 -10.569 -4.404 5.295 1.00 0.36 N ATOM 1788 CA GLY A 113 -11.462 -5.383 5.887 1.00 0.43 C ATOM 1789 C GLY A 113 -12.908 -4.915 5.950 1.00 0.41 C ATOM 1790 O GLY A 113 -13.802 -5.651 5.525 1.00 0.46 O ATOM 0 H GLY A 113 -9.922 -3.969 5.953 1.00 0.36 H new ATOM 0 HA2 GLY A 113 -11.411 -6.307 5.311 1.00 0.43 H new ATOM 0 HA3 GLY A 113 -11.118 -5.616 6.895 1.00 0.43 H new ATOM 1794 N PRO A 114 -13.182 -3.694 6.478 1.00 0.44 N ATOM 1795 CA PRO A 114 -14.543 -3.163 6.599 1.00 0.50 C ATOM 1796 C PRO A 114 -15.393 -3.436 5.362 1.00 0.41 C ATOM 1797 O PRO A 114 -16.482 -4.003 5.467 1.00 0.45 O ATOM 1798 CB PRO A 114 -14.339 -1.648 6.802 1.00 0.62 C ATOM 1799 CG PRO A 114 -12.868 -1.420 6.682 1.00 0.71 C ATOM 1800 CD PRO A 114 -12.211 -2.730 7.002 1.00 0.52 C ATOM 0 HA PRO A 114 -15.084 -3.637 7.418 1.00 0.50 H new ATOM 0 HB2 PRO A 114 -14.887 -1.075 6.054 1.00 0.62 H new ATOM 0 HB3 PRO A 114 -14.706 -1.331 7.778 1.00 0.62 H new ATOM 0 HG2 PRO A 114 -12.607 -1.089 5.677 1.00 0.71 H new ATOM 0 HG3 PRO A 114 -12.538 -0.641 7.370 1.00 0.71 H new ATOM 0 HD2 PRO A 114 -11.238 -2.827 6.519 1.00 0.52 H new ATOM 0 HD3 PRO A 114 -12.049 -2.855 8.073 1.00 0.52 H new ATOM 1808 N ARG A 115 -14.888 -3.039 4.195 1.00 0.38 N ATOM 1809 CA ARG A 115 -15.597 -3.244 2.937 1.00 0.39 C ATOM 1810 C ARG A 115 -14.852 -2.583 1.778 1.00 0.44 C ATOM 1811 O ARG A 115 -14.863 -1.358 1.643 1.00 0.81 O ATOM 1812 CB ARG A 115 -17.025 -2.686 3.017 1.00 0.51 C ATOM 1813 CG ARG A 115 -17.806 -2.819 1.719 1.00 0.57 C ATOM 1814 CD ARG A 115 -19.028 -1.918 1.707 1.00 0.69 C ATOM 1815 NE ARG A 115 -18.679 -0.513 1.951 1.00 0.90 N ATOM 1816 CZ ARG A 115 -19.563 0.489 1.986 1.00 1.11 C ATOM 1817 NH1 ARG A 115 -20.855 0.259 1.753 1.00 1.30 N ATOM 1818 NH2 ARG A 115 -19.143 1.727 2.238 1.00 1.47 N ATOM 0 H ARG A 115 -13.987 -2.572 4.097 1.00 0.38 H new ATOM 0 HA ARG A 115 -15.647 -4.318 2.758 1.00 0.39 H new ATOM 0 HB2 ARG A 115 -17.564 -3.204 3.810 1.00 0.51 H new ATOM 0 HB3 ARG A 115 -16.979 -1.634 3.297 1.00 0.51 H new ATOM 0 HG2 ARG A 115 -17.160 -2.568 0.878 1.00 0.57 H new ATOM 0 HG3 ARG A 115 -18.116 -3.855 1.585 1.00 0.57 H new ATOM 0 HD2 ARG A 115 -19.532 -2.004 0.745 1.00 0.69 H new ATOM 0 HD3 ARG A 115 -19.733 -2.254 2.467 1.00 0.69 H new ATOM 0 HE ARG A 115 -17.696 -0.286 2.104 1.00 0.90 H new ATOM 0 HH11 ARG A 115 -21.175 -0.687 1.546 1.00 1.30 H new ATOM 0 HH12 ARG A 115 -21.523 1.029 1.782 1.00 1.30 H new ATOM 0 HH21 ARG A 115 -18.152 1.906 2.403 1.00 1.47 H new ATOM 0 HH22 ARG A 115 -19.812 2.497 2.266 1.00 1.47 H new ATOM 1832 N THR A 116 -14.197 -3.396 0.961 1.00 0.36 N ATOM 1833 CA THR A 116 -13.467 -2.898 -0.196 1.00 0.38 C ATOM 1834 C THR A 116 -14.217 -3.272 -1.480 1.00 0.39 C ATOM 1835 O THR A 116 -14.441 -4.453 -1.748 1.00 0.51 O ATOM 1836 CB THR A 116 -12.012 -3.449 -0.220 1.00 0.45 C ATOM 1837 OG1 THR A 116 -11.070 -2.376 -0.074 1.00 0.57 O ATOM 1838 CG2 THR A 116 -11.706 -4.218 -1.500 1.00 0.58 C ATOM 0 H THR A 116 -14.156 -4.408 1.079 1.00 0.36 H new ATOM 0 HA THR A 116 -13.403 -1.812 -0.129 1.00 0.38 H new ATOM 0 HB THR A 116 -11.922 -4.141 0.617 1.00 0.45 H new ATOM 0 HG1 THR A 116 -10.198 -2.657 -0.420 1.00 0.57 H new ATOM 0 HG21 THR A 116 -10.679 -4.582 -1.469 1.00 0.58 H new ATOM 0 HG22 THR A 116 -12.388 -5.063 -1.589 1.00 0.58 H new ATOM 0 HG23 THR A 116 -11.831 -3.559 -2.359 1.00 0.58 H new ATOM 1846 N HIS A 117 -14.625 -2.262 -2.250 1.00 0.37 N ATOM 1847 CA HIS A 117 -15.358 -2.482 -3.501 1.00 0.39 C ATOM 1848 C HIS A 117 -15.773 -1.154 -4.123 1.00 0.36 C ATOM 1849 O HIS A 117 -15.415 -0.854 -5.261 1.00 0.42 O ATOM 1850 CB HIS A 117 -16.610 -3.342 -3.270 1.00 0.43 C ATOM 1851 CG HIS A 117 -16.396 -4.811 -3.489 1.00 0.57 C ATOM 1852 ND1 HIS A 117 -16.947 -5.779 -2.679 1.00 0.85 N ATOM 1853 CD2 HIS A 117 -15.681 -5.476 -4.430 1.00 0.77 C ATOM 1854 CE1 HIS A 117 -16.583 -6.972 -3.108 1.00 0.95 C ATOM 1855 NE2 HIS A 117 -15.814 -6.817 -4.168 1.00 0.89 N ATOM 0 H HIS A 117 -14.460 -1.280 -2.029 1.00 0.37 H new ATOM 0 HA HIS A 117 -14.688 -3.009 -4.180 1.00 0.39 H new ATOM 0 HB2 HIS A 117 -16.961 -3.186 -2.250 1.00 0.43 H new ATOM 0 HB3 HIS A 117 -17.401 -2.998 -3.936 1.00 0.43 H new ATOM 0 HD2 HIS A 117 -15.113 -5.033 -5.235 1.00 0.77 H new ATOM 0 HE1 HIS A 117 -16.867 -7.916 -2.666 1.00 0.95 H new ATOM 0 HE2 HIS A 117 -15.387 -7.571 -4.706 1.00 0.89 H new ATOM 1864 N TYR A 118 -16.528 -0.368 -3.366 1.00 0.38 N ATOM 1865 CA TYR A 118 -17.005 0.927 -3.835 1.00 0.41 C ATOM 1866 C TYR A 118 -16.029 2.027 -3.450 1.00 0.39 C ATOM 1867 O TYR A 118 -15.239 1.869 -2.513 1.00 0.48 O ATOM 1868 CB TYR A 118 -18.383 1.232 -3.245 1.00 0.51 C ATOM 1869 CG TYR A 118 -19.391 0.123 -3.447 1.00 0.56 C ATOM 1870 CD1 TYR A 118 -20.172 0.069 -4.592 1.00 0.79 C ATOM 1871 CD2 TYR A 118 -19.557 -0.870 -2.491 1.00 0.75 C ATOM 1872 CE1 TYR A 118 -21.088 -0.945 -4.780 1.00 0.92 C ATOM 1873 CE2 TYR A 118 -20.472 -1.886 -2.672 1.00 0.87 C ATOM 1874 CZ TYR A 118 -21.237 -1.920 -3.817 1.00 0.86 C ATOM 1875 OH TYR A 118 -22.148 -2.937 -4.012 1.00 1.05 O ATOM 0 H TYR A 118 -16.825 -0.606 -2.420 1.00 0.38 H new ATOM 0 HA TYR A 118 -17.082 0.888 -4.922 1.00 0.41 H new ATOM 0 HB2 TYR A 118 -18.277 1.424 -2.177 1.00 0.51 H new ATOM 0 HB3 TYR A 118 -18.767 2.147 -3.697 1.00 0.51 H new ATOM 0 HD1 TYR A 118 -20.061 0.832 -5.348 1.00 0.79 H new ATOM 0 HD2 TYR A 118 -18.960 -0.846 -1.591 1.00 0.75 H new ATOM 0 HE1 TYR A 118 -21.686 -0.975 -5.679 1.00 0.92 H new ATOM 0 HE2 TYR A 118 -20.588 -2.652 -1.919 1.00 0.87 H new ATOM 0 HH TYR A 118 -22.131 -3.543 -3.242 1.00 1.05 H new ATOM 1885 N GLY A 119 -16.090 3.138 -4.170 1.00 0.38 N ATOM 1886 CA GLY A 119 -15.216 4.255 -3.891 1.00 0.39 C ATOM 1887 C GLY A 119 -13.854 4.101 -4.538 1.00 0.37 C ATOM 1888 O GLY A 119 -13.205 3.061 -4.396 1.00 0.44 O ATOM 0 H GLY A 119 -16.734 3.284 -4.947 1.00 0.38 H new ATOM 0 HA2 GLY A 119 -15.682 5.174 -4.246 1.00 0.39 H new ATOM 0 HA3 GLY A 119 -15.093 4.356 -2.813 1.00 0.39 H new ATOM 1892 N GLN A 120 -13.418 5.141 -5.243 1.00 0.37 N ATOM 1893 CA GLN A 120 -12.123 5.137 -5.924 1.00 0.38 C ATOM 1894 C GLN A 120 -11.031 4.521 -5.047 1.00 0.37 C ATOM 1895 O GLN A 120 -10.186 3.776 -5.535 1.00 0.34 O ATOM 1896 CB GLN A 120 -11.732 6.563 -6.319 1.00 0.50 C ATOM 1897 CG GLN A 120 -12.508 7.095 -7.511 1.00 0.64 C ATOM 1898 CD GLN A 120 -12.252 8.567 -7.768 1.00 0.80 C ATOM 1899 OE1 GLN A 120 -11.314 8.934 -8.472 1.00 0.99 O ATOM 1900 NE2 GLN A 120 -13.086 9.424 -7.202 1.00 1.00 N ATOM 0 H GLN A 120 -13.947 6.006 -5.359 1.00 0.37 H new ATOM 0 HA GLN A 120 -12.220 4.526 -6.821 1.00 0.38 H new ATOM 0 HB2 GLN A 120 -11.891 7.224 -5.467 1.00 0.50 H new ATOM 0 HB3 GLN A 120 -10.667 6.589 -6.548 1.00 0.50 H new ATOM 0 HG2 GLN A 120 -12.238 6.523 -8.399 1.00 0.64 H new ATOM 0 HG3 GLN A 120 -13.574 6.940 -7.344 1.00 0.64 H new ATOM 0 HE21 GLN A 120 -13.854 9.082 -6.624 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -12.961 10.426 -7.344 1.00 1.00 H new ATOM 1909 N LYS A 121 -11.077 4.814 -3.747 1.00 0.51 N ATOM 1910 CA LYS A 121 -10.092 4.293 -2.797 1.00 0.61 C ATOM 1911 C LYS A 121 -9.927 2.772 -2.923 1.00 0.58 C ATOM 1912 O LYS A 121 -8.873 2.232 -2.591 1.00 0.70 O ATOM 1913 CB LYS A 121 -10.494 4.657 -1.358 1.00 0.89 C ATOM 1914 CG LYS A 121 -11.398 3.633 -0.676 1.00 1.06 C ATOM 1915 CD LYS A 121 -10.588 2.512 -0.037 1.00 1.39 C ATOM 1916 CE LYS A 121 -11.287 1.168 -0.172 1.00 1.34 C ATOM 1917 NZ LYS A 121 -10.385 0.026 0.142 1.00 1.70 N ATOM 0 H LYS A 121 -11.788 5.412 -3.326 1.00 0.51 H new ATOM 0 HA LYS A 121 -9.134 4.755 -3.035 1.00 0.61 H new ATOM 0 HB2 LYS A 121 -9.590 4.779 -0.761 1.00 0.89 H new ATOM 0 HB3 LYS A 121 -11.002 5.621 -1.369 1.00 0.89 H new ATOM 0 HG2 LYS A 121 -12.000 4.128 0.086 1.00 1.06 H new ATOM 0 HG3 LYS A 121 -12.090 3.213 -1.406 1.00 1.06 H new ATOM 0 HD2 LYS A 121 -9.605 2.460 -0.505 1.00 1.39 H new ATOM 0 HD3 LYS A 121 -10.427 2.735 1.018 1.00 1.39 H new ATOM 0 HE2 LYS A 121 -12.149 1.141 0.495 1.00 1.34 H new ATOM 0 HE3 LYS A 121 -11.667 1.059 -1.188 1.00 1.34 H new ATOM 0 HZ1 LYS A 121 -10.886 -0.869 -0.029 1.00 1.70 H new ATOM 0 HZ2 LYS A 121 -9.542 0.073 -0.465 1.00 1.70 H new ATOM 0 HZ3 LYS A 121 -10.096 0.076 1.140 1.00 1.70 H new ATOM 1931 N ALA A 122 -10.975 2.087 -3.380 1.00 0.54 N ATOM 1932 CA ALA A 122 -10.937 0.638 -3.521 1.00 0.65 C ATOM 1933 C ALA A 122 -10.149 0.196 -4.753 1.00 0.57 C ATOM 1934 O ALA A 122 -9.581 -0.896 -4.759 1.00 0.72 O ATOM 1935 CB ALA A 122 -12.352 0.076 -3.569 1.00 0.77 C ATOM 0 H ALA A 122 -11.858 2.515 -3.658 1.00 0.54 H new ATOM 0 HA ALA A 122 -10.419 0.241 -2.648 1.00 0.65 H new ATOM 0 HB1 ALA A 122 -12.310 -1.008 -3.675 1.00 0.77 H new ATOM 0 HB2 ALA A 122 -12.876 0.331 -2.648 1.00 0.77 H new ATOM 0 HB3 ALA A 122 -12.884 0.503 -4.419 1.00 0.77 H new ATOM 1941 N ILE A 123 -10.105 1.034 -5.790 1.00 0.43 N ATOM 1942 CA ILE A 123 -9.393 0.684 -7.019 1.00 0.48 C ATOM 1943 C ILE A 123 -8.779 1.922 -7.682 1.00 0.41 C ATOM 1944 O ILE A 123 -9.013 2.187 -8.863 1.00 0.61 O ATOM 1945 CB ILE A 123 -10.323 -0.019 -8.043 1.00 0.61 C ATOM 1946 CG1 ILE A 123 -11.194 -1.085 -7.367 1.00 0.74 C ATOM 1947 CG2 ILE A 123 -9.504 -0.650 -9.161 1.00 0.77 C ATOM 1948 CD1 ILE A 123 -12.505 -0.552 -6.832 1.00 0.79 C ATOM 0 H ILE A 123 -10.550 1.952 -5.804 1.00 0.43 H new ATOM 0 HA ILE A 123 -8.599 -0.004 -6.727 1.00 0.48 H new ATOM 0 HB ILE A 123 -10.981 0.740 -8.467 1.00 0.61 H new ATOM 0 HG12 ILE A 123 -11.401 -1.880 -8.084 1.00 0.74 H new ATOM 0 HG13 ILE A 123 -10.633 -1.533 -6.547 1.00 0.74 H new ATOM 0 HG21 ILE A 123 -10.172 -1.139 -9.870 1.00 0.77 H new ATOM 0 HG22 ILE A 123 -8.933 0.123 -9.674 1.00 0.77 H new ATOM 0 HG23 ILE A 123 -8.820 -1.387 -8.740 1.00 0.77 H new ATOM 0 HD11 ILE A 123 -13.066 -1.364 -6.369 1.00 0.79 H new ATOM 0 HD12 ILE A 123 -12.308 0.222 -6.091 1.00 0.79 H new ATOM 0 HD13 ILE A 123 -13.088 -0.130 -7.651 1.00 0.79 H new ATOM 1960 N LEU A 124 -7.995 2.685 -6.925 1.00 0.31 N ATOM 1961 CA LEU A 124 -7.361 3.881 -7.470 1.00 0.29 C ATOM 1962 C LEU A 124 -6.131 4.286 -6.655 1.00 0.26 C ATOM 1963 O LEU A 124 -6.156 5.260 -5.896 1.00 0.38 O ATOM 1964 CB LEU A 124 -8.364 5.038 -7.544 1.00 0.33 C ATOM 1965 CG LEU A 124 -7.898 6.254 -8.355 1.00 0.50 C ATOM 1966 CD1 LEU A 124 -7.464 5.839 -9.754 1.00 0.63 C ATOM 1967 CD2 LEU A 124 -9.002 7.294 -8.428 1.00 0.58 C ATOM 0 H LEU A 124 -7.785 2.500 -5.944 1.00 0.31 H new ATOM 0 HA LEU A 124 -7.026 3.646 -8.480 1.00 0.29 H new ATOM 0 HB2 LEU A 124 -9.292 4.666 -7.978 1.00 0.33 H new ATOM 0 HB3 LEU A 124 -8.594 5.364 -6.530 1.00 0.33 H new ATOM 0 HG LEU A 124 -7.038 6.693 -7.849 1.00 0.50 H new ATOM 0 HD11 LEU A 124 -7.138 6.718 -10.310 1.00 0.63 H new ATOM 0 HD12 LEU A 124 -6.641 5.128 -9.684 1.00 0.63 H new ATOM 0 HD13 LEU A 124 -8.302 5.373 -10.272 1.00 0.63 H new ATOM 0 HD21 LEU A 124 -8.657 8.151 -9.006 1.00 0.58 H new ATOM 0 HD22 LEU A 124 -9.879 6.861 -8.909 1.00 0.58 H new ATOM 0 HD23 LEU A 124 -9.264 7.618 -7.421 1.00 0.58 H new ATOM 1979 N PHE A 125 -5.055 3.522 -6.819 1.00 0.20 N ATOM 1980 CA PHE A 125 -3.803 3.791 -6.122 1.00 0.23 C ATOM 1981 C PHE A 125 -2.733 4.216 -7.127 1.00 0.17 C ATOM 1982 O PHE A 125 -2.567 3.574 -8.172 1.00 0.18 O ATOM 1983 CB PHE A 125 -3.337 2.550 -5.345 1.00 0.33 C ATOM 1984 CG PHE A 125 -4.450 1.813 -4.651 1.00 0.30 C ATOM 1985 CD1 PHE A 125 -4.960 2.266 -3.445 1.00 0.40 C ATOM 1986 CD2 PHE A 125 -4.986 0.663 -5.210 1.00 0.41 C ATOM 1987 CE1 PHE A 125 -5.988 1.590 -2.815 1.00 0.51 C ATOM 1988 CE2 PHE A 125 -6.012 -0.018 -4.583 1.00 0.51 C ATOM 1989 CZ PHE A 125 -6.512 0.446 -3.382 1.00 0.54 C ATOM 0 H PHE A 125 -5.026 2.707 -7.432 1.00 0.20 H new ATOM 0 HA PHE A 125 -3.967 4.599 -5.409 1.00 0.23 H new ATOM 0 HB2 PHE A 125 -2.837 1.869 -6.033 1.00 0.33 H new ATOM 0 HB3 PHE A 125 -2.598 2.854 -4.604 1.00 0.33 H new ATOM 0 HD1 PHE A 125 -4.550 3.157 -2.992 1.00 0.40 H new ATOM 0 HD2 PHE A 125 -4.597 0.295 -6.148 1.00 0.41 H new ATOM 0 HE1 PHE A 125 -6.381 1.957 -1.879 1.00 0.51 H new ATOM 0 HE2 PHE A 125 -6.422 -0.911 -5.031 1.00 0.51 H new ATOM 0 HZ PHE A 125 -7.312 -0.085 -2.887 1.00 0.54 H new ATOM 1999 N LEU A 126 -2.011 5.286 -6.812 1.00 0.18 N ATOM 2000 CA LEU A 126 -0.972 5.802 -7.696 1.00 0.19 C ATOM 2001 C LEU A 126 0.406 5.682 -7.042 1.00 0.20 C ATOM 2002 O LEU A 126 0.740 6.441 -6.131 1.00 0.33 O ATOM 2003 CB LEU A 126 -1.266 7.264 -8.051 1.00 0.32 C ATOM 2004 CG LEU A 126 -0.271 7.921 -9.012 1.00 0.39 C ATOM 2005 CD1 LEU A 126 -0.309 7.237 -10.369 1.00 0.44 C ATOM 2006 CD2 LEU A 126 -0.565 9.410 -9.150 1.00 0.59 C ATOM 0 H LEU A 126 -2.127 5.815 -5.947 1.00 0.18 H new ATOM 0 HA LEU A 126 -0.968 5.208 -8.610 1.00 0.19 H new ATOM 0 HB2 LEU A 126 -2.261 7.320 -8.492 1.00 0.32 H new ATOM 0 HB3 LEU A 126 -1.293 7.845 -7.129 1.00 0.32 H new ATOM 0 HG LEU A 126 0.732 7.808 -8.601 1.00 0.39 H new ATOM 0 HD11 LEU A 126 0.404 7.717 -11.039 1.00 0.44 H new ATOM 0 HD12 LEU A 126 -0.047 6.185 -10.254 1.00 0.44 H new ATOM 0 HD13 LEU A 126 -1.312 7.317 -10.789 1.00 0.44 H new ATOM 0 HD21 LEU A 126 0.152 9.860 -9.837 1.00 0.59 H new ATOM 0 HD22 LEU A 126 -1.574 9.547 -9.538 1.00 0.59 H new ATOM 0 HD23 LEU A 126 -0.483 9.889 -8.174 1.00 0.59 H new ATOM 2018 N PRO A 127 1.209 4.703 -7.478 1.00 0.21 N ATOM 2019 CA PRO A 127 2.544 4.468 -6.962 1.00 0.29 C ATOM 2020 C PRO A 127 3.626 5.028 -7.886 1.00 0.25 C ATOM 2021 O PRO A 127 3.327 5.535 -8.970 1.00 0.38 O ATOM 2022 CB PRO A 127 2.592 2.942 -6.948 1.00 0.42 C ATOM 2023 CG PRO A 127 1.738 2.516 -8.108 1.00 0.43 C ATOM 2024 CD PRO A 127 0.885 3.705 -8.502 1.00 0.32 C ATOM 0 HA PRO A 127 2.728 4.945 -5.999 1.00 0.29 H new ATOM 0 HB2 PRO A 127 3.614 2.578 -7.056 1.00 0.42 H new ATOM 0 HB3 PRO A 127 2.209 2.544 -6.008 1.00 0.42 H new ATOM 0 HG2 PRO A 127 2.359 2.195 -8.944 1.00 0.43 H new ATOM 0 HG3 PRO A 127 1.111 1.668 -7.832 1.00 0.43 H new ATOM 0 HD2 PRO A 127 1.128 4.061 -9.503 1.00 0.32 H new ATOM 0 HD3 PRO A 127 -0.176 3.457 -8.501 1.00 0.32 H new ATOM 2032 N LEU A 128 4.880 4.932 -7.460 1.00 0.22 N ATOM 2033 CA LEU A 128 5.992 5.413 -8.271 1.00 0.21 C ATOM 2034 C LEU A 128 6.487 4.288 -9.178 1.00 0.23 C ATOM 2035 O LEU A 128 6.564 3.135 -8.750 1.00 0.26 O ATOM 2036 CB LEU A 128 7.136 5.926 -7.390 1.00 0.23 C ATOM 2037 CG LEU A 128 8.126 6.861 -8.094 1.00 0.30 C ATOM 2038 CD1 LEU A 128 7.443 8.159 -8.503 1.00 0.38 C ATOM 2039 CD2 LEU A 128 9.322 7.148 -7.200 1.00 0.37 C ATOM 0 H LEU A 128 5.151 4.528 -6.563 1.00 0.22 H new ATOM 0 HA LEU A 128 5.642 6.245 -8.882 1.00 0.21 H new ATOM 0 HB2 LEU A 128 6.709 6.450 -6.535 1.00 0.23 H new ATOM 0 HB3 LEU A 128 7.684 5.070 -6.997 1.00 0.23 H new ATOM 0 HG LEU A 128 8.482 6.362 -8.995 1.00 0.30 H new ATOM 0 HD11 LEU A 128 8.163 8.808 -9.001 1.00 0.38 H new ATOM 0 HD12 LEU A 128 6.621 7.939 -9.185 1.00 0.38 H new ATOM 0 HD13 LEU A 128 7.055 8.661 -7.617 1.00 0.38 H new ATOM 0 HD21 LEU A 128 10.012 7.813 -7.718 1.00 0.37 H new ATOM 0 HD22 LEU A 128 8.983 7.623 -6.280 1.00 0.37 H new ATOM 0 HD23 LEU A 128 9.830 6.214 -6.960 1.00 0.37 H new ATOM 2051 N PRO A 129 6.822 4.608 -10.440 1.00 0.27 N ATOM 2052 CA PRO A 129 7.298 3.618 -11.412 1.00 0.33 C ATOM 2053 C PRO A 129 8.321 2.644 -10.826 1.00 0.33 C ATOM 2054 O PRO A 129 8.201 1.432 -11.009 1.00 0.67 O ATOM 2055 CB PRO A 129 7.940 4.484 -12.496 1.00 0.45 C ATOM 2056 CG PRO A 129 7.170 5.757 -12.460 1.00 0.47 C ATOM 2057 CD PRO A 129 6.757 5.962 -11.026 1.00 0.30 C ATOM 0 HA PRO A 129 6.490 2.979 -11.768 1.00 0.33 H new ATOM 0 HB2 PRO A 129 8.998 4.654 -12.294 1.00 0.45 H new ATOM 0 HB3 PRO A 129 7.875 4.008 -13.475 1.00 0.45 H new ATOM 0 HG2 PRO A 129 7.779 6.590 -12.812 1.00 0.47 H new ATOM 0 HG3 PRO A 129 6.298 5.702 -13.112 1.00 0.47 H new ATOM 0 HD2 PRO A 129 7.426 6.652 -10.512 1.00 0.30 H new ATOM 0 HD3 PRO A 129 5.753 6.380 -10.955 1.00 0.30 H new ATOM 2065 N VAL A 130 9.314 3.181 -10.114 1.00 0.37 N ATOM 2066 CA VAL A 130 10.373 2.371 -9.503 1.00 0.35 C ATOM 2067 C VAL A 130 9.818 1.109 -8.833 1.00 0.38 C ATOM 2068 O VAL A 130 9.333 1.148 -7.702 1.00 0.57 O ATOM 2069 CB VAL A 130 11.193 3.189 -8.473 1.00 0.40 C ATOM 2070 CG1 VAL A 130 12.011 4.263 -9.178 1.00 0.47 C ATOM 2071 CG2 VAL A 130 10.290 3.811 -7.411 1.00 0.44 C ATOM 0 H VAL A 130 9.408 4.182 -9.945 1.00 0.37 H new ATOM 0 HA VAL A 130 11.032 2.066 -10.316 1.00 0.35 H new ATOM 0 HB VAL A 130 11.875 2.505 -7.968 1.00 0.40 H new ATOM 0 HG11 VAL A 130 12.581 4.829 -8.441 1.00 0.47 H new ATOM 0 HG12 VAL A 130 12.696 3.794 -9.884 1.00 0.47 H new ATOM 0 HG13 VAL A 130 11.342 4.936 -9.714 1.00 0.47 H new ATOM 0 HG21 VAL A 130 10.896 4.378 -6.704 1.00 0.44 H new ATOM 0 HG22 VAL A 130 9.572 4.477 -7.889 1.00 0.44 H new ATOM 0 HG23 VAL A 130 9.756 3.023 -6.880 1.00 0.44 H new ATOM 2081 N SER A 131 9.887 -0.007 -9.551 1.00 0.34 N ATOM 2082 CA SER A 131 9.396 -1.285 -9.052 1.00 0.40 C ATOM 2083 C SER A 131 10.130 -2.432 -9.755 1.00 0.39 C ATOM 2084 O SER A 131 10.996 -2.189 -10.600 1.00 0.47 O ATOM 2085 CB SER A 131 7.882 -1.397 -9.287 1.00 0.50 C ATOM 2086 OG SER A 131 7.218 -0.168 -9.010 1.00 0.88 O ATOM 0 H SER A 131 10.283 -0.051 -10.490 1.00 0.34 H new ATOM 0 HA SER A 131 9.586 -1.348 -7.981 1.00 0.40 H new ATOM 0 HB2 SER A 131 7.694 -1.688 -10.320 1.00 0.50 H new ATOM 0 HB3 SER A 131 7.472 -2.184 -8.654 1.00 0.50 H new ATOM 0 HG SER A 131 7.375 0.461 -9.744 1.00 0.88 H new ATOM 2092 N SER A 132 9.790 -3.671 -9.412 1.00 0.48 N ATOM 2093 CA SER A 132 10.420 -4.833 -10.029 1.00 0.54 C ATOM 2094 C SER A 132 9.625 -5.294 -11.246 1.00 0.49 C ATOM 2095 O SER A 132 8.401 -5.421 -11.188 1.00 0.96 O ATOM 2096 CB SER A 132 10.547 -5.981 -9.019 1.00 0.76 C ATOM 2097 OG SER A 132 11.717 -5.841 -8.222 1.00 1.03 O ATOM 0 H SER A 132 9.083 -3.896 -8.712 1.00 0.48 H new ATOM 0 HA SER A 132 11.419 -4.542 -10.354 1.00 0.54 H new ATOM 0 HB2 SER A 132 9.667 -6.002 -8.376 1.00 0.76 H new ATOM 0 HB3 SER A 132 10.577 -6.933 -9.549 1.00 0.76 H new ATOM 0 HG SER A 132 12.466 -6.301 -8.656 1.00 1.03 H new ATOM 2103 N ASP A 133 10.324 -5.527 -12.349 1.00 0.56 N ATOM 2104 CA ASP A 133 9.685 -5.980 -13.576 1.00 0.58 C ATOM 2105 C ASP A 133 9.577 -7.499 -13.575 1.00 0.63 C ATOM 2106 O ASP A 133 10.579 -8.174 -13.886 1.00 0.80 O ATOM 2107 CB ASP A 133 10.459 -5.494 -14.808 1.00 0.80 C ATOM 2108 CG ASP A 133 9.925 -6.079 -16.103 1.00 0.92 C ATOM 2109 OD1 ASP A 133 8.752 -5.815 -16.439 1.00 1.06 O ATOM 2110 OD2 ASP A 133 10.682 -6.786 -16.799 1.00 1.07 O ATOM 2111 OXT ASP A 133 8.497 -8.016 -13.232 1.00 0.75 O ATOM 0 H ASP A 133 11.335 -5.409 -12.418 1.00 0.56 H new ATOM 0 HA ASP A 133 8.682 -5.555 -13.622 1.00 0.58 H new ATOM 0 HB2 ASP A 133 10.409 -4.406 -14.858 1.00 0.80 H new ATOM 0 HB3 ASP A 133 11.510 -5.760 -14.700 1.00 0.80 H new TER 2116 ASP A 133 HETATM 2117 C1 IHP A 134 -16.545 4.095 3.725 1.00 3.43 C HETATM 2118 C2 IHP A 134 -16.482 3.701 2.243 1.00 3.47 C HETATM 2119 C3 IHP A 134 -17.129 4.810 1.377 1.00 3.73 C HETATM 2120 C4 IHP A 134 -16.352 6.116 1.581 1.00 3.79 C HETATM 2121 C5 IHP A 134 -16.390 6.530 3.058 1.00 3.74 C HETATM 2122 C6 IHP A 134 -15.790 5.421 3.933 1.00 3.46 C HETATM 2123 O11 IHP A 134 -15.941 3.081 4.538 1.00 3.86 O HETATM 2124 P1 IHP A 134 -16.786 2.352 5.711 1.00 4.66 P HETATM 2125 O21 IHP A 134 -18.041 1.721 5.239 1.00 4.95 O HETATM 2126 O31 IHP A 134 -17.081 3.481 6.809 1.00 4.87 O HETATM 2127 O41 IHP A 134 -15.808 1.284 6.404 1.00 5.52 O HETATM 2128 O12 IHP A 134 -15.152 3.494 1.823 1.00 3.50 O HETATM 2129 P2 IHP A 134 -14.685 2.053 1.271 1.00 4.17 P HETATM 2130 O22 IHP A 134 -13.698 1.463 2.207 1.00 4.60 O HETATM 2131 O32 IHP A 134 -16.011 1.149 1.164 1.00 4.76 O HETATM 2132 O42 IHP A 134 -14.077 2.302 -0.183 1.00 4.45 O HETATM 2133 O13 IHP A 134 -17.066 4.448 -0.003 1.00 4.32 O HETATM 2134 P3 IHP A 134 -18.403 4.333 -0.892 1.00 5.22 P HETATM 2135 O23 IHP A 134 -19.339 5.414 -0.502 1.00 5.53 O HETATM 2136 O33 IHP A 134 -19.003 2.872 -0.589 1.00 5.46 O HETATM 2137 O43 IHP A 134 -17.994 4.446 -2.444 1.00 6.00 O HETATM 2138 O14 IHP A 134 -16.943 7.167 0.808 1.00 4.60 O HETATM 2139 P4 IHP A 134 -16.081 7.947 -0.309 1.00 5.38 P HETATM 2140 O24 IHP A 134 -16.150 7.220 -1.599 1.00 5.62 O HETATM 2141 O34 IHP A 134 -14.586 7.985 0.287 1.00 5.44 O HETATM 2142 O44 IHP A 134 -16.643 9.448 -0.426 1.00 6.32 O HETATM 2143 O15 IHP A 134 -15.643 7.727 3.248 1.00 4.36 O HETATM 2144 P5 IHP A 134 -16.338 9.050 3.843 1.00 5.27 P HETATM 2145 O25 IHP A 134 -17.477 9.450 2.988 1.00 5.62 O HETATM 2146 O35 IHP A 134 -16.826 8.683 5.338 1.00 5.32 O HETATM 2147 O45 IHP A 134 -15.215 10.192 3.912 1.00 6.16 O HETATM 2148 O16 IHP A 134 -15.837 5.822 5.306 1.00 4.02 O HETATM 2149 P6 IHP A 134 -14.490 5.999 6.167 1.00 4.66 P HETATM 2150 O26 IHP A 134 -14.769 6.416 7.566 1.00 5.55 O HETATM 2151 O36 IHP A 134 -13.669 7.125 5.364 1.00 4.84 O HETATM 2152 O46 IHP A 134 -13.680 4.621 6.110 1.00 4.67 O HETATM 0 H6 IHP A 134 -14.751 5.260 3.644 1.00 3.46 H new HETATM 0 H5 IHP A 134 -17.428 6.697 3.344 1.00 3.74 H new HETATM 0 H4 IHP A 134 -15.322 5.950 1.265 1.00 3.79 H new HETATM 0 H3 IHP A 134 -18.171 4.937 1.672 1.00 3.73 H new HETATM 0 H2 IHP A 134 -17.030 2.767 2.120 1.00 3.47 H new HETATM 0 H1 IHP A 134 -17.590 4.208 4.014 1.00 3.43 H new