USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1001 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 THR OG1 : rot 180:sc= 0.0213 USER MOD Set 1.2: A 115 ASN : amide:sc= 0 K(o=0.021,f=0.8) USER MOD Set 2.1: A 40 SER OG : rot 87:sc= 1.31 USER MOD Set 2.2: A 43 THR OG1 : rot 180:sc= 1.04 USER MOD Set 3.1: A 24 GLN : amide:sc= -0.907 K(o=-1.1,f=-0.031) USER MOD Set 3.2: A 82 GLN : amide:sc= -0.22 K(o=-1.1,f=-0.031) USER MOD Single : A 10 THR OG1 : rot 99:sc= 1.08 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 88:sc= 0.58 USER MOD Single : A 19 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -36:sc= 0.632 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -160:sc= -0.249 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0216 USER MOD Single : A 32 THR OG1 : rot 24:sc= 0.276 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0652) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 67:sc= -0.31 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00516 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 60 TYR OH : rot 130:sc= 0.374 USER MOD Single : A 61 SER OG : rot 77:sc= 0.933 USER MOD Single : A 62 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-0.47) USER MOD Single : A 63 HIS : no HD1:sc= -2.79 K(o=-2.8,f=-1.3) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0424 USER MOD Single : A 73 THR OG1 : rot -167:sc= -0.0132 USER MOD Single : A 75 GLN : amide:sc= -2.99! C(o=-3!,f=-7.1!) USER MOD Single : A 76 GLN : amide:sc= -0.448 K(o=-0.45,f=-3!) USER MOD Single : A 78 HIS : no HD1:sc= -0.774 K(o=-0.77,f=-0.13) USER MOD Single : A 80 HIS : no HE2:sc= -2.79 K(o=-2.8,f=-5!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -4.52! K(o=-4.5!,f=-2.4) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.082 X(o=-0.082,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 152:sc= -0.0105 (180deg=-1.12) USER MOD Single : A 122 THR OG1 : rot 83:sc= 0.935 USER MOD Single : A 124 MET CE :methyl 170:sc= -0.0288 (180deg=-0.184) USER MOD Single : A 127 LYS NZ :NH3+ -175:sc= 0.203 (180deg=0.196) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ASP A 8 -17.204 6.198 0.820 1.00 0.78 N ATOM 103 CA ASP A 8 -16.180 6.427 1.879 1.00 0.55 C ATOM 104 C ASP A 8 -15.149 7.440 1.382 1.00 0.54 C ATOM 105 O ASP A 8 -14.689 7.372 0.259 1.00 0.65 O ATOM 106 CB ASP A 8 -15.482 5.106 2.206 1.00 0.48 C ATOM 107 CG ASP A 8 -14.799 5.213 3.571 1.00 0.47 C ATOM 108 OD1 ASP A 8 -13.684 5.707 3.617 1.00 1.43 O ATOM 109 OD2 ASP A 8 -15.403 4.800 4.548 1.00 0.53 O ATOM 0 HA ASP A 8 -16.664 6.814 2.776 1.00 0.55 H new ATOM 0 HB2 ASP A 8 -16.207 4.292 2.213 1.00 0.48 H new ATOM 0 HB3 ASP A 8 -14.746 4.871 1.437 1.00 0.48 H new ATOM 114 N ILE A 9 -14.780 8.380 2.208 1.00 0.46 N ATOM 115 CA ILE A 9 -13.777 9.397 1.782 1.00 0.55 C ATOM 116 C ILE A 9 -12.372 8.796 1.874 1.00 0.51 C ATOM 117 O ILE A 9 -11.462 9.215 1.187 1.00 0.55 O ATOM 118 CB ILE A 9 -13.870 10.619 2.696 1.00 0.62 C ATOM 119 CG1 ILE A 9 -12.818 11.649 2.277 1.00 0.84 C ATOM 120 CG2 ILE A 9 -13.619 10.196 4.144 1.00 0.55 C ATOM 121 CD1 ILE A 9 -13.325 13.057 2.595 1.00 0.83 C ATOM 0 H ILE A 9 -15.130 8.488 3.160 1.00 0.46 H new ATOM 0 HA ILE A 9 -13.978 9.697 0.754 1.00 0.55 H new ATOM 0 HB ILE A 9 -14.864 11.058 2.614 1.00 0.62 H new ATOM 0 HG12 ILE A 9 -11.881 11.461 2.802 1.00 0.84 H new ATOM 0 HG13 ILE A 9 -12.610 11.558 1.211 1.00 0.84 H new ATOM 0 HG21 ILE A 9 -13.686 11.068 4.795 1.00 0.55 H new ATOM 0 HG22 ILE A 9 -14.367 9.462 4.443 1.00 0.55 H new ATOM 0 HG23 ILE A 9 -12.625 9.756 4.227 1.00 0.55 H new ATOM 0 HD11 ILE A 9 -12.575 13.790 2.296 1.00 0.83 H new ATOM 0 HD12 ILE A 9 -14.251 13.242 2.050 1.00 0.83 H new ATOM 0 HD13 ILE A 9 -13.511 13.144 3.666 1.00 0.83 H new ATOM 133 N THR A 10 -12.189 7.818 2.719 1.00 0.44 N ATOM 134 CA THR A 10 -10.845 7.193 2.854 1.00 0.42 C ATOM 135 C THR A 10 -10.395 6.653 1.495 1.00 0.42 C ATOM 136 O THR A 10 -9.359 7.024 0.981 1.00 0.42 O ATOM 137 CB THR A 10 -10.915 6.042 3.861 1.00 0.42 C ATOM 138 OG1 THR A 10 -11.748 6.420 4.950 1.00 0.47 O ATOM 139 CG2 THR A 10 -9.510 5.727 4.378 1.00 0.49 C ATOM 0 H THR A 10 -12.913 7.426 3.321 1.00 0.44 H new ATOM 0 HA THR A 10 -10.132 7.939 3.204 1.00 0.42 H new ATOM 0 HB THR A 10 -11.327 5.158 3.375 1.00 0.42 H new ATOM 0 HG1 THR A 10 -12.641 6.036 4.827 1.00 0.47 H new ATOM 0 HG21 THR A 10 -9.561 4.907 5.095 1.00 0.49 H new ATOM 0 HG22 THR A 10 -8.871 5.439 3.543 1.00 0.49 H new ATOM 0 HG23 THR A 10 -9.095 6.610 4.865 1.00 0.49 H new ATOM 147 N LEU A 11 -11.167 5.780 0.908 1.00 0.47 N ATOM 148 CA LEU A 11 -10.782 5.219 -0.417 1.00 0.52 C ATOM 149 C LEU A 11 -10.496 6.365 -1.391 1.00 0.53 C ATOM 150 O LEU A 11 -9.942 6.166 -2.453 1.00 0.50 O ATOM 151 CB LEU A 11 -11.928 4.362 -0.960 1.00 0.57 C ATOM 152 CG LEU A 11 -12.343 3.334 0.093 1.00 0.53 C ATOM 153 CD1 LEU A 11 -13.484 2.475 -0.452 1.00 0.74 C ATOM 154 CD2 LEU A 11 -11.148 2.438 0.429 1.00 0.55 C ATOM 0 H LEU A 11 -12.047 5.431 1.289 1.00 0.47 H new ATOM 0 HA LEU A 11 -9.889 4.604 -0.307 1.00 0.52 H new ATOM 0 HB2 LEU A 11 -12.777 4.994 -1.220 1.00 0.57 H new ATOM 0 HB3 LEU A 11 -11.616 3.856 -1.874 1.00 0.57 H new ATOM 0 HG LEU A 11 -12.676 3.851 0.993 1.00 0.53 H new ATOM 0 HD11 LEU A 11 -13.779 1.743 0.299 1.00 0.74 H new ATOM 0 HD12 LEU A 11 -14.336 3.111 -0.692 1.00 0.74 H new ATOM 0 HD13 LEU A 11 -13.152 1.958 -1.352 1.00 0.74 H new ATOM 0 HD21 LEU A 11 -11.443 1.705 1.180 1.00 0.55 H new ATOM 0 HD22 LEU A 11 -10.816 1.922 -0.472 1.00 0.55 H new ATOM 0 HD23 LEU A 11 -10.334 3.049 0.819 1.00 0.55 H new ATOM 166 N GLN A 12 -10.872 7.563 -1.037 1.00 0.65 N ATOM 167 CA GLN A 12 -10.623 8.720 -1.942 1.00 0.73 C ATOM 168 C GLN A 12 -9.183 9.206 -1.768 1.00 0.73 C ATOM 169 O GLN A 12 -8.368 9.092 -2.662 1.00 0.69 O ATOM 170 CB GLN A 12 -11.589 9.855 -1.595 1.00 0.86 C ATOM 171 CG GLN A 12 -11.811 10.732 -2.829 1.00 0.71 C ATOM 172 CD GLN A 12 -12.735 11.897 -2.468 1.00 0.96 C ATOM 173 OE1 GLN A 12 -12.555 12.539 -1.452 1.00 2.04 O ATOM 174 NE2 GLN A 12 -13.724 12.200 -3.264 1.00 0.58 N ATOM 0 H GLN A 12 -11.341 7.791 -0.160 1.00 0.65 H new ATOM 0 HA GLN A 12 -10.779 8.412 -2.976 1.00 0.73 H new ATOM 0 HB2 GLN A 12 -12.539 9.446 -1.251 1.00 0.86 H new ATOM 0 HB3 GLN A 12 -11.185 10.453 -0.778 1.00 0.86 H new ATOM 0 HG2 GLN A 12 -10.857 11.111 -3.195 1.00 0.71 H new ATOM 0 HG3 GLN A 12 -12.250 10.142 -3.634 1.00 0.71 H new ATOM 0 HE21 GLN A 12 -13.876 11.662 -4.117 1.00 0.58 H new ATOM 0 HE22 GLN A 12 -14.345 12.975 -3.033 1.00 0.58 H new ATOM 183 N GLU A 13 -8.862 9.747 -0.624 1.00 0.78 N ATOM 184 CA GLU A 13 -7.474 10.239 -0.397 1.00 0.81 C ATOM 185 C GLU A 13 -6.478 9.113 -0.689 1.00 0.71 C ATOM 186 O GLU A 13 -5.307 9.350 -0.907 1.00 0.76 O ATOM 187 CB GLU A 13 -7.323 10.691 1.059 1.00 0.91 C ATOM 188 CG GLU A 13 -7.187 9.466 1.967 1.00 0.89 C ATOM 189 CD GLU A 13 -5.713 9.077 2.084 1.00 2.02 C ATOM 190 OE1 GLU A 13 -4.957 9.859 2.637 1.00 2.35 O ATOM 191 OE2 GLU A 13 -5.365 8.005 1.619 1.00 3.15 O ATOM 0 H GLU A 13 -9.500 9.869 0.162 1.00 0.78 H new ATOM 0 HA GLU A 13 -7.275 11.081 -1.060 1.00 0.81 H new ATOM 0 HB2 GLU A 13 -6.447 11.331 1.162 1.00 0.91 H new ATOM 0 HB3 GLU A 13 -8.188 11.283 1.358 1.00 0.91 H new ATOM 0 HG2 GLU A 13 -7.595 9.685 2.954 1.00 0.89 H new ATOM 0 HG3 GLU A 13 -7.762 8.634 1.561 1.00 0.89 H new ATOM 198 N ILE A 14 -6.936 7.891 -0.696 1.00 0.61 N ATOM 199 CA ILE A 14 -6.016 6.753 -0.975 1.00 0.59 C ATOM 200 C ILE A 14 -5.760 6.661 -2.481 1.00 0.52 C ATOM 201 O ILE A 14 -4.641 6.776 -2.939 1.00 0.55 O ATOM 202 CB ILE A 14 -6.651 5.451 -0.485 1.00 0.60 C ATOM 203 CG1 ILE A 14 -6.695 5.450 1.045 1.00 0.49 C ATOM 204 CG2 ILE A 14 -5.821 4.261 -0.970 1.00 0.63 C ATOM 205 CD1 ILE A 14 -7.606 4.320 1.529 1.00 0.52 C ATOM 0 H ILE A 14 -7.907 7.632 -0.521 1.00 0.61 H new ATOM 0 HA ILE A 14 -5.072 6.914 -0.455 1.00 0.59 H new ATOM 0 HB ILE A 14 -7.664 5.372 -0.880 1.00 0.60 H new ATOM 0 HG12 ILE A 14 -5.691 5.320 1.448 1.00 0.49 H new ATOM 0 HG13 ILE A 14 -7.063 6.409 1.409 1.00 0.49 H new ATOM 0 HG21 ILE A 14 -6.275 3.334 -0.620 1.00 0.63 H new ATOM 0 HG22 ILE A 14 -5.788 4.260 -2.060 1.00 0.63 H new ATOM 0 HG23 ILE A 14 -4.808 4.340 -0.577 1.00 0.63 H new ATOM 0 HD11 ILE A 14 -7.637 4.319 2.619 1.00 0.52 H new ATOM 0 HD12 ILE A 14 -8.612 4.470 1.137 1.00 0.52 H new ATOM 0 HD13 ILE A 14 -7.219 3.364 1.177 1.00 0.52 H new ATOM 217 N ILE A 15 -6.790 6.453 -3.255 1.00 0.46 N ATOM 218 CA ILE A 15 -6.605 6.352 -4.730 1.00 0.45 C ATOM 219 C ILE A 15 -5.725 7.507 -5.216 1.00 0.44 C ATOM 220 O ILE A 15 -4.822 7.321 -6.008 1.00 0.48 O ATOM 221 CB ILE A 15 -7.967 6.426 -5.421 1.00 0.45 C ATOM 222 CG1 ILE A 15 -8.752 5.143 -5.137 1.00 0.44 C ATOM 223 CG2 ILE A 15 -7.768 6.577 -6.930 1.00 0.45 C ATOM 224 CD1 ILE A 15 -10.225 5.356 -5.490 1.00 0.50 C ATOM 0 H ILE A 15 -7.751 6.349 -2.930 1.00 0.46 H new ATOM 0 HA ILE A 15 -6.125 5.403 -4.970 1.00 0.45 H new ATOM 0 HB ILE A 15 -8.521 7.284 -5.041 1.00 0.45 H new ATOM 0 HG12 ILE A 15 -8.343 4.318 -5.720 1.00 0.44 H new ATOM 0 HG13 ILE A 15 -8.655 4.870 -4.086 1.00 0.44 H new ATOM 0 HG21 ILE A 15 -8.739 6.630 -7.422 1.00 0.45 H new ATOM 0 HG22 ILE A 15 -7.208 7.490 -7.134 1.00 0.45 H new ATOM 0 HG23 ILE A 15 -7.214 5.719 -7.312 1.00 0.45 H new ATOM 0 HD11 ILE A 15 -10.783 4.442 -5.288 1.00 0.50 H new ATOM 0 HD12 ILE A 15 -10.630 6.169 -4.888 1.00 0.50 H new ATOM 0 HD13 ILE A 15 -10.313 5.609 -6.547 1.00 0.50 H new ATOM 236 N LYS A 16 -5.980 8.698 -4.748 1.00 0.49 N ATOM 237 CA LYS A 16 -5.159 9.862 -5.186 1.00 0.50 C ATOM 238 C LYS A 16 -3.717 9.680 -4.709 1.00 0.49 C ATOM 239 O LYS A 16 -2.776 9.967 -5.424 1.00 0.50 O ATOM 240 CB LYS A 16 -5.735 11.148 -4.585 1.00 0.52 C ATOM 241 CG LYS A 16 -7.023 11.526 -5.322 1.00 0.18 C ATOM 242 CD LYS A 16 -7.519 12.885 -4.822 1.00 0.48 C ATOM 243 CE LYS A 16 -7.815 12.805 -3.323 1.00 1.41 C ATOM 244 NZ LYS A 16 -8.833 13.833 -2.963 1.00 1.92 N ATOM 0 H LYS A 16 -6.721 8.915 -4.082 1.00 0.49 H new ATOM 0 HA LYS A 16 -5.176 9.928 -6.274 1.00 0.50 H new ATOM 0 HB2 LYS A 16 -5.939 11.006 -3.524 1.00 0.52 H new ATOM 0 HB3 LYS A 16 -5.008 11.956 -4.664 1.00 0.52 H new ATOM 0 HG2 LYS A 16 -6.841 11.566 -6.396 1.00 0.18 H new ATOM 0 HG3 LYS A 16 -7.786 10.765 -5.156 1.00 0.18 H new ATOM 0 HD2 LYS A 16 -6.767 13.651 -5.014 1.00 0.48 H new ATOM 0 HD3 LYS A 16 -8.418 13.177 -5.365 1.00 0.48 H new ATOM 0 HE2 LYS A 16 -8.180 11.811 -3.066 1.00 1.41 H new ATOM 0 HE3 LYS A 16 -6.901 12.967 -2.752 1.00 1.41 H new ATOM 0 HZ1 LYS A 16 -9.035 13.780 -1.944 1.00 1.92 H new ATOM 0 HZ2 LYS A 16 -8.468 14.779 -3.194 1.00 1.92 H new ATOM 0 HZ3 LYS A 16 -9.707 13.659 -3.499 1.00 1.92 H new ATOM 258 N THR A 17 -3.532 9.205 -3.508 1.00 0.47 N ATOM 259 CA THR A 17 -2.149 9.007 -2.991 1.00 0.47 C ATOM 260 C THR A 17 -1.395 8.042 -3.909 1.00 0.48 C ATOM 261 O THR A 17 -0.330 8.348 -4.407 1.00 0.48 O ATOM 262 CB THR A 17 -2.209 8.426 -1.576 1.00 0.46 C ATOM 263 OG1 THR A 17 -2.417 9.476 -0.643 1.00 1.09 O ATOM 264 CG2 THR A 17 -0.894 7.712 -1.260 1.00 0.85 C ATOM 0 H THR A 17 -4.278 8.946 -2.863 1.00 0.47 H new ATOM 0 HA THR A 17 -1.630 9.965 -2.966 1.00 0.47 H new ATOM 0 HB THR A 17 -3.031 7.713 -1.510 1.00 0.46 H new ATOM 0 HG1 THR A 17 -3.378 9.631 -0.534 1.00 1.09 H new ATOM 0 HG21 THR A 17 -0.937 7.299 -0.252 1.00 0.85 H new ATOM 0 HG22 THR A 17 -0.736 6.906 -1.976 1.00 0.85 H new ATOM 0 HG23 THR A 17 -0.070 8.422 -1.326 1.00 0.85 H new ATOM 272 N LEU A 18 -1.939 6.877 -4.136 1.00 0.52 N ATOM 273 CA LEU A 18 -1.252 5.897 -5.023 1.00 0.53 C ATOM 274 C LEU A 18 -0.807 6.597 -6.308 1.00 0.51 C ATOM 275 O LEU A 18 0.322 6.466 -6.739 1.00 0.59 O ATOM 276 CB LEU A 18 -2.216 4.759 -5.370 1.00 0.54 C ATOM 277 CG LEU A 18 -2.786 4.157 -4.083 1.00 0.45 C ATOM 278 CD1 LEU A 18 -3.754 3.026 -4.433 1.00 0.50 C ATOM 279 CD2 LEU A 18 -1.643 3.601 -3.228 1.00 0.49 C ATOM 0 H LEU A 18 -2.828 6.563 -3.746 1.00 0.52 H new ATOM 0 HA LEU A 18 -0.380 5.491 -4.509 1.00 0.53 H new ATOM 0 HB2 LEU A 18 -3.025 5.133 -5.998 1.00 0.54 H new ATOM 0 HB3 LEU A 18 -1.697 3.991 -5.943 1.00 0.54 H new ATOM 0 HG LEU A 18 -3.315 4.930 -3.526 1.00 0.45 H new ATOM 0 HD11 LEU A 18 -4.160 2.598 -3.516 1.00 0.50 H new ATOM 0 HD12 LEU A 18 -4.569 3.419 -5.041 1.00 0.50 H new ATOM 0 HD13 LEU A 18 -3.225 2.254 -4.991 1.00 0.50 H new ATOM 0 HD21 LEU A 18 -2.049 3.172 -2.312 1.00 0.49 H new ATOM 0 HD22 LEU A 18 -1.114 2.829 -3.786 1.00 0.49 H new ATOM 0 HD23 LEU A 18 -0.952 4.406 -2.977 1.00 0.49 H new ATOM 291 N ASN A 19 -1.684 7.343 -6.923 1.00 0.42 N ATOM 292 CA ASN A 19 -1.308 8.051 -8.178 1.00 0.40 C ATOM 293 C ASN A 19 -0.034 8.864 -7.942 1.00 0.41 C ATOM 294 O ASN A 19 0.850 8.908 -8.774 1.00 0.40 O ATOM 295 CB ASN A 19 -2.443 8.991 -8.593 1.00 0.41 C ATOM 296 CG ASN A 19 -3.479 8.213 -9.405 1.00 0.57 C ATOM 297 OD1 ASN A 19 -3.402 8.158 -10.616 1.00 1.66 O ATOM 298 ND2 ASN A 19 -4.453 7.605 -8.784 1.00 0.67 N ATOM 0 H ASN A 19 -2.643 7.492 -6.610 1.00 0.42 H new ATOM 0 HA ASN A 19 -1.133 7.321 -8.969 1.00 0.40 H new ATOM 0 HB2 ASN A 19 -2.910 9.426 -7.710 1.00 0.41 H new ATOM 0 HB3 ASN A 19 -2.048 9.817 -9.184 1.00 0.41 H new ATOM 0 HD21 ASN A 19 -5.150 7.083 -9.316 1.00 0.67 H new ATOM 0 HD22 ASN A 19 -4.517 7.651 -7.767 1.00 0.67 H new ATOM 305 N SER A 20 0.070 9.506 -6.810 1.00 0.44 N ATOM 306 CA SER A 20 1.288 10.314 -6.521 1.00 0.46 C ATOM 307 C SER A 20 2.524 9.416 -6.600 1.00 0.47 C ATOM 308 O SER A 20 3.528 9.775 -7.182 1.00 0.47 O ATOM 309 CB SER A 20 1.182 10.913 -5.119 1.00 0.55 C ATOM 310 OG SER A 20 -0.061 11.591 -4.990 1.00 0.53 O ATOM 0 H SER A 20 -0.636 9.506 -6.074 1.00 0.44 H new ATOM 0 HA SER A 20 1.374 11.117 -7.253 1.00 0.46 H new ATOM 0 HB2 SER A 20 1.260 10.127 -4.368 1.00 0.55 H new ATOM 0 HB3 SER A 20 2.006 11.604 -4.943 1.00 0.55 H new ATOM 0 HG SER A 20 -0.133 11.975 -4.091 1.00 0.53 H new ATOM 316 N LEU A 21 2.459 8.250 -6.018 1.00 0.53 N ATOM 317 CA LEU A 21 3.632 7.330 -6.061 1.00 0.58 C ATOM 318 C LEU A 21 3.876 6.883 -7.504 1.00 0.48 C ATOM 319 O LEU A 21 4.986 6.920 -7.996 1.00 0.57 O ATOM 320 CB LEU A 21 3.352 6.104 -5.188 1.00 0.65 C ATOM 321 CG LEU A 21 2.985 6.554 -3.771 1.00 0.35 C ATOM 322 CD1 LEU A 21 2.691 5.326 -2.908 1.00 0.55 C ATOM 323 CD2 LEU A 21 4.151 7.336 -3.162 1.00 0.81 C ATOM 0 H LEU A 21 1.646 7.894 -5.515 1.00 0.53 H new ATOM 0 HA LEU A 21 4.514 7.849 -5.686 1.00 0.58 H new ATOM 0 HB2 LEU A 21 2.539 5.518 -5.616 1.00 0.65 H new ATOM 0 HB3 LEU A 21 4.229 5.458 -5.159 1.00 0.65 H new ATOM 0 HG LEU A 21 2.103 7.193 -3.811 1.00 0.35 H new ATOM 0 HD11 LEU A 21 2.430 5.645 -1.899 1.00 0.55 H new ATOM 0 HD12 LEU A 21 1.860 4.769 -3.339 1.00 0.55 H new ATOM 0 HD13 LEU A 21 3.574 4.688 -2.870 1.00 0.55 H new ATOM 0 HD21 LEU A 21 3.888 7.655 -2.154 1.00 0.81 H new ATOM 0 HD22 LEU A 21 5.035 6.699 -3.122 1.00 0.81 H new ATOM 0 HD23 LEU A 21 4.362 8.211 -3.776 1.00 0.81 H new ATOM 335 N THR A 22 2.846 6.461 -8.187 1.00 0.33 N ATOM 336 CA THR A 22 3.021 6.013 -9.597 1.00 0.26 C ATOM 337 C THR A 22 3.815 7.066 -10.372 1.00 0.33 C ATOM 338 O THR A 22 4.557 6.752 -11.282 1.00 0.52 O ATOM 339 CB THR A 22 1.648 5.828 -10.248 1.00 0.12 C ATOM 340 OG1 THR A 22 0.966 7.074 -10.271 1.00 0.18 O ATOM 341 CG2 THR A 22 0.833 4.812 -9.447 1.00 0.13 C ATOM 0 H THR A 22 1.892 6.407 -7.829 1.00 0.33 H new ATOM 0 HA THR A 22 3.561 5.066 -9.613 1.00 0.26 H new ATOM 0 HB THR A 22 1.775 5.464 -11.267 1.00 0.12 H new ATOM 0 HG1 THR A 22 1.171 7.574 -9.453 1.00 0.18 H new ATOM 0 HG21 THR A 22 -0.144 4.682 -9.912 1.00 0.13 H new ATOM 0 HG22 THR A 22 1.357 3.857 -9.431 1.00 0.13 H new ATOM 0 HG23 THR A 22 0.704 5.173 -8.426 1.00 0.13 H new ATOM 349 N GLU A 23 3.668 8.313 -10.019 1.00 0.28 N ATOM 350 CA GLU A 23 4.416 9.384 -10.737 1.00 0.31 C ATOM 351 C GLU A 23 5.899 9.299 -10.374 1.00 0.40 C ATOM 352 O GLU A 23 6.761 9.631 -11.164 1.00 0.43 O ATOM 353 CB GLU A 23 3.867 10.753 -10.326 1.00 0.32 C ATOM 354 CG GLU A 23 2.420 10.887 -10.803 1.00 0.17 C ATOM 355 CD GLU A 23 1.728 12.009 -10.028 1.00 1.07 C ATOM 356 OE1 GLU A 23 2.426 12.774 -9.382 1.00 1.80 O ATOM 357 OE2 GLU A 23 0.512 12.086 -10.092 1.00 1.83 O ATOM 0 H GLU A 23 3.063 8.637 -9.265 1.00 0.28 H new ATOM 0 HA GLU A 23 4.297 9.253 -11.813 1.00 0.31 H new ATOM 0 HB2 GLU A 23 3.916 10.866 -9.243 1.00 0.32 H new ATOM 0 HB3 GLU A 23 4.478 11.546 -10.757 1.00 0.32 H new ATOM 0 HG2 GLU A 23 2.397 11.101 -11.872 1.00 0.17 H new ATOM 0 HG3 GLU A 23 1.889 9.947 -10.655 1.00 0.17 H new ATOM 364 N GLN A 24 6.203 8.856 -9.186 1.00 0.45 N ATOM 365 CA GLN A 24 7.631 8.748 -8.773 1.00 0.54 C ATOM 366 C GLN A 24 8.171 7.371 -9.163 1.00 0.59 C ATOM 367 O GLN A 24 7.427 6.422 -9.308 1.00 0.75 O ATOM 368 CB GLN A 24 7.740 8.928 -7.257 1.00 0.61 C ATOM 369 CG GLN A 24 8.036 10.395 -6.936 1.00 0.81 C ATOM 370 CD GLN A 24 7.789 10.653 -5.449 1.00 0.79 C ATOM 371 OE1 GLN A 24 7.643 11.785 -5.033 1.00 0.79 O ATOM 372 NE2 GLN A 24 7.733 9.643 -4.625 1.00 2.49 N ATOM 0 H GLN A 24 5.524 8.564 -8.483 1.00 0.45 H new ATOM 0 HA GLN A 24 8.213 9.522 -9.273 1.00 0.54 H new ATOM 0 HB2 GLN A 24 6.812 8.620 -6.776 1.00 0.61 H new ATOM 0 HB3 GLN A 24 8.531 8.291 -6.861 1.00 0.61 H new ATOM 0 HG2 GLN A 24 9.069 10.632 -7.190 1.00 0.81 H new ATOM 0 HG3 GLN A 24 7.402 11.045 -7.539 1.00 0.81 H new ATOM 0 HE21 GLN A 24 7.856 8.693 -4.974 1.00 2.49 H new ATOM 0 HE22 GLN A 24 7.567 9.804 -3.632 1.00 2.49 H new ATOM 381 N LYS A 25 9.461 7.255 -9.335 1.00 0.51 N ATOM 382 CA LYS A 25 10.046 5.938 -9.717 1.00 0.55 C ATOM 383 C LYS A 25 11.428 5.788 -9.078 1.00 0.45 C ATOM 384 O LYS A 25 12.440 6.054 -9.695 1.00 0.81 O ATOM 385 CB LYS A 25 10.179 5.861 -11.239 1.00 0.65 C ATOM 386 CG LYS A 25 8.847 6.239 -11.890 1.00 0.99 C ATOM 387 CD LYS A 25 8.915 5.960 -13.392 1.00 1.18 C ATOM 388 CE LYS A 25 8.374 7.166 -14.162 1.00 1.78 C ATOM 389 NZ LYS A 25 8.376 6.867 -15.622 1.00 2.39 N ATOM 0 H LYS A 25 10.133 8.014 -9.228 1.00 0.51 H new ATOM 0 HA LYS A 25 9.395 5.137 -9.367 1.00 0.55 H new ATOM 0 HB2 LYS A 25 10.966 6.534 -11.580 1.00 0.65 H new ATOM 0 HB3 LYS A 25 10.469 4.854 -11.538 1.00 0.65 H new ATOM 0 HG2 LYS A 25 8.035 5.668 -11.440 1.00 0.99 H new ATOM 0 HG3 LYS A 25 8.631 7.293 -11.715 1.00 0.99 H new ATOM 0 HD2 LYS A 25 9.944 5.758 -13.689 1.00 1.18 H new ATOM 0 HD3 LYS A 25 8.333 5.070 -13.634 1.00 1.18 H new ATOM 0 HE2 LYS A 25 7.362 7.399 -13.829 1.00 1.78 H new ATOM 0 HE3 LYS A 25 8.987 8.045 -13.959 1.00 1.78 H new ATOM 0 HZ1 LYS A 25 8.008 7.687 -16.145 1.00 2.39 H new ATOM 0 HZ2 LYS A 25 9.347 6.665 -15.934 1.00 2.39 H new ATOM 0 HZ3 LYS A 25 7.774 6.040 -15.808 1.00 2.39 H new ATOM 403 N THR A 26 11.479 5.359 -7.846 1.00 0.03 N ATOM 404 CA THR A 26 12.796 5.188 -7.171 1.00 0.20 C ATOM 405 C THR A 26 13.306 3.765 -7.407 1.00 0.17 C ATOM 406 O THR A 26 12.592 2.916 -7.902 1.00 0.22 O ATOM 407 CB THR A 26 12.635 5.429 -5.668 1.00 0.40 C ATOM 408 OG1 THR A 26 12.031 4.290 -5.070 1.00 0.53 O ATOM 409 CG2 THR A 26 11.752 6.657 -5.437 1.00 0.34 C ATOM 0 H THR A 26 10.666 5.120 -7.279 1.00 0.03 H new ATOM 0 HA THR A 26 13.510 5.904 -7.579 1.00 0.20 H new ATOM 0 HB THR A 26 13.614 5.600 -5.220 1.00 0.40 H new ATOM 0 HG1 THR A 26 11.641 4.542 -4.207 1.00 0.53 H new ATOM 0 HG21 THR A 26 11.638 6.827 -4.366 1.00 0.34 H new ATOM 0 HG22 THR A 26 12.216 7.530 -5.896 1.00 0.34 H new ATOM 0 HG23 THR A 26 10.772 6.490 -5.884 1.00 0.34 H new ATOM 417 N LEU A 27 14.535 3.497 -7.060 1.00 0.15 N ATOM 418 CA LEU A 27 15.083 2.128 -7.269 1.00 0.19 C ATOM 419 C LEU A 27 14.446 1.165 -6.264 1.00 0.22 C ATOM 420 O LEU A 27 14.648 -0.031 -6.320 1.00 0.20 O ATOM 421 CB LEU A 27 16.603 2.147 -7.073 1.00 0.24 C ATOM 422 CG LEU A 27 16.936 2.439 -5.609 1.00 0.22 C ATOM 423 CD1 LEU A 27 17.361 1.143 -4.915 1.00 0.35 C ATOM 424 CD2 LEU A 27 18.081 3.452 -5.544 1.00 0.24 C ATOM 0 H LEU A 27 15.182 4.166 -6.642 1.00 0.15 H new ATOM 0 HA LEU A 27 14.856 1.797 -8.282 1.00 0.19 H new ATOM 0 HB2 LEU A 27 17.028 1.187 -7.367 1.00 0.24 H new ATOM 0 HB3 LEU A 27 17.052 2.905 -7.715 1.00 0.24 H new ATOM 0 HG LEU A 27 16.058 2.847 -5.108 1.00 0.22 H new ATOM 0 HD11 LEU A 27 17.599 1.350 -3.872 1.00 0.35 H new ATOM 0 HD12 LEU A 27 16.547 0.420 -4.965 1.00 0.35 H new ATOM 0 HD13 LEU A 27 18.240 0.735 -5.413 1.00 0.35 H new ATOM 0 HD21 LEU A 27 18.321 3.663 -4.502 1.00 0.24 H new ATOM 0 HD22 LEU A 27 18.959 3.041 -6.043 1.00 0.24 H new ATOM 0 HD23 LEU A 27 17.779 4.374 -6.041 1.00 0.24 H new ATOM 436 N CYS A 28 13.674 1.680 -5.345 1.00 0.27 N ATOM 437 CA CYS A 28 13.022 0.797 -4.338 1.00 0.30 C ATOM 438 C CYS A 28 11.996 -0.098 -5.035 1.00 0.34 C ATOM 439 O CYS A 28 11.311 -0.880 -4.407 1.00 0.31 O ATOM 440 CB CYS A 28 12.317 1.657 -3.287 1.00 0.35 C ATOM 441 SG CYS A 28 12.797 1.106 -1.631 1.00 0.25 S ATOM 0 H CYS A 28 13.467 2.674 -5.249 1.00 0.27 H new ATOM 0 HA CYS A 28 13.777 0.177 -3.854 1.00 0.30 H new ATOM 0 HB2 CYS A 28 12.582 2.706 -3.423 1.00 0.35 H new ATOM 0 HB3 CYS A 28 11.236 1.583 -3.407 1.00 0.35 H new ATOM 446 N THR A 29 11.885 0.010 -6.331 1.00 0.43 N ATOM 447 CA THR A 29 10.903 -0.835 -7.068 1.00 0.50 C ATOM 448 C THR A 29 11.510 -2.216 -7.325 1.00 0.49 C ATOM 449 O THR A 29 10.838 -3.224 -7.245 1.00 0.59 O ATOM 450 CB THR A 29 10.561 -0.171 -8.404 1.00 0.68 C ATOM 451 OG1 THR A 29 11.737 -0.070 -9.195 1.00 0.76 O ATOM 452 CG2 THR A 29 9.991 1.226 -8.152 1.00 0.75 C ATOM 0 H THR A 29 12.432 0.647 -6.911 1.00 0.43 H new ATOM 0 HA THR A 29 9.996 -0.942 -6.473 1.00 0.50 H new ATOM 0 HB THR A 29 9.819 -0.773 -8.930 1.00 0.68 H new ATOM 0 HG1 THR A 29 11.520 0.354 -10.052 1.00 0.76 H new ATOM 0 HG21 THR A 29 9.748 1.697 -9.104 1.00 0.75 H new ATOM 0 HG22 THR A 29 9.089 1.147 -7.546 1.00 0.75 H new ATOM 0 HG23 THR A 29 10.730 1.831 -7.626 1.00 0.75 H new ATOM 460 N GLU A 30 12.776 -2.269 -7.634 1.00 0.50 N ATOM 461 CA GLU A 30 13.424 -3.586 -7.896 1.00 0.50 C ATOM 462 C GLU A 30 13.222 -4.503 -6.688 1.00 0.38 C ATOM 463 O GLU A 30 13.576 -5.665 -6.713 1.00 0.44 O ATOM 464 CB GLU A 30 14.922 -3.378 -8.136 1.00 0.55 C ATOM 465 CG GLU A 30 15.130 -2.648 -9.463 1.00 0.33 C ATOM 466 CD GLU A 30 16.320 -1.694 -9.339 1.00 1.51 C ATOM 467 OE1 GLU A 30 17.442 -2.158 -9.456 1.00 2.19 O ATOM 468 OE2 GLU A 30 16.089 -0.515 -9.127 1.00 2.49 O ATOM 0 H GLU A 30 13.390 -1.459 -7.717 1.00 0.50 H new ATOM 0 HA GLU A 30 12.975 -4.044 -8.778 1.00 0.50 H new ATOM 0 HB2 GLU A 30 15.355 -2.800 -7.319 1.00 0.55 H new ATOM 0 HB3 GLU A 30 15.435 -4.339 -8.153 1.00 0.55 H new ATOM 0 HG2 GLU A 30 15.309 -3.367 -10.262 1.00 0.33 H new ATOM 0 HG3 GLU A 30 14.231 -2.092 -9.730 1.00 0.33 H new ATOM 475 N LEU A 31 12.657 -3.989 -5.630 1.00 0.26 N ATOM 476 CA LEU A 31 12.433 -4.832 -4.422 1.00 0.21 C ATOM 477 C LEU A 31 11.157 -5.656 -4.604 1.00 0.23 C ATOM 478 O LEU A 31 10.124 -5.142 -4.983 1.00 0.38 O ATOM 479 CB LEU A 31 12.289 -3.931 -3.192 1.00 0.15 C ATOM 480 CG LEU A 31 13.387 -2.867 -3.209 1.00 0.19 C ATOM 481 CD1 LEU A 31 13.340 -2.065 -1.907 1.00 0.19 C ATOM 482 CD2 LEU A 31 14.752 -3.546 -3.339 1.00 0.21 C ATOM 0 H LEU A 31 12.341 -3.022 -5.550 1.00 0.26 H new ATOM 0 HA LEU A 31 13.281 -5.503 -4.284 1.00 0.21 H new ATOM 0 HB2 LEU A 31 11.308 -3.456 -3.188 1.00 0.15 H new ATOM 0 HB3 LEU A 31 12.359 -4.526 -2.282 1.00 0.15 H new ATOM 0 HG LEU A 31 13.231 -2.197 -4.055 1.00 0.19 H new ATOM 0 HD11 LEU A 31 14.123 -1.306 -1.919 1.00 0.19 H new ATOM 0 HD12 LEU A 31 12.368 -1.582 -1.812 1.00 0.19 H new ATOM 0 HD13 LEU A 31 13.496 -2.735 -1.061 1.00 0.19 H new ATOM 0 HD21 LEU A 31 15.536 -2.788 -3.351 1.00 0.21 H new ATOM 0 HD22 LEU A 31 14.908 -4.215 -2.493 1.00 0.21 H new ATOM 0 HD23 LEU A 31 14.787 -4.119 -4.266 1.00 0.21 H new ATOM 494 N THR A 32 11.221 -6.932 -4.336 1.00 0.25 N ATOM 495 CA THR A 32 10.011 -7.788 -4.495 1.00 0.23 C ATOM 496 C THR A 32 9.264 -7.866 -3.162 1.00 0.20 C ATOM 497 O THR A 32 9.824 -8.223 -2.145 1.00 0.14 O ATOM 498 CB THR A 32 10.434 -9.194 -4.926 1.00 0.29 C ATOM 499 OG1 THR A 32 11.327 -9.735 -3.961 1.00 0.39 O ATOM 500 CG2 THR A 32 11.130 -9.126 -6.286 1.00 0.22 C ATOM 0 H THR A 32 12.058 -7.418 -4.014 1.00 0.25 H new ATOM 0 HA THR A 32 9.357 -7.357 -5.253 1.00 0.23 H new ATOM 0 HB THR A 32 9.553 -9.831 -5.004 1.00 0.29 H new ATOM 0 HG1 THR A 32 11.178 -9.298 -3.097 1.00 0.39 H new ATOM 0 HG21 THR A 32 11.431 -10.128 -6.591 1.00 0.22 H new ATOM 0 HG22 THR A 32 10.444 -8.712 -7.025 1.00 0.22 H new ATOM 0 HG23 THR A 32 12.012 -8.489 -6.212 1.00 0.22 H new ATOM 508 N VAL A 33 8.001 -7.535 -3.160 1.00 0.26 N ATOM 509 CA VAL A 33 7.218 -7.591 -1.893 1.00 0.23 C ATOM 510 C VAL A 33 6.531 -8.953 -1.778 1.00 0.20 C ATOM 511 O VAL A 33 6.708 -9.820 -2.610 1.00 0.30 O ATOM 512 CB VAL A 33 6.160 -6.485 -1.899 1.00 0.34 C ATOM 513 CG1 VAL A 33 6.802 -5.167 -2.332 1.00 0.39 C ATOM 514 CG2 VAL A 33 5.044 -6.855 -2.877 1.00 0.40 C ATOM 0 H VAL A 33 7.478 -7.229 -3.980 1.00 0.26 H new ATOM 0 HA VAL A 33 7.888 -7.449 -1.045 1.00 0.23 H new ATOM 0 HB VAL A 33 5.744 -6.373 -0.898 1.00 0.34 H new ATOM 0 HG11 VAL A 33 6.049 -4.379 -2.336 1.00 0.39 H new ATOM 0 HG12 VAL A 33 7.598 -4.904 -1.635 1.00 0.39 H new ATOM 0 HG13 VAL A 33 7.218 -5.277 -3.334 1.00 0.39 H new ATOM 0 HG21 VAL A 33 4.289 -6.068 -2.883 1.00 0.40 H new ATOM 0 HG22 VAL A 33 5.460 -6.966 -3.878 1.00 0.40 H new ATOM 0 HG23 VAL A 33 4.586 -7.795 -2.568 1.00 0.40 H new ATOM 524 N THR A 34 5.748 -9.148 -0.752 1.00 0.23 N ATOM 525 CA THR A 34 5.051 -10.455 -0.584 1.00 0.19 C ATOM 526 C THR A 34 3.663 -10.379 -1.225 1.00 0.28 C ATOM 527 O THR A 34 2.801 -9.649 -0.776 1.00 0.50 O ATOM 528 CB THR A 34 4.907 -10.769 0.907 1.00 0.14 C ATOM 529 OG1 THR A 34 6.167 -11.169 1.428 1.00 0.22 O ATOM 530 CG2 THR A 34 3.892 -11.896 1.098 1.00 0.29 C ATOM 0 H THR A 34 5.561 -8.459 -0.023 1.00 0.23 H new ATOM 0 HA THR A 34 5.632 -11.241 -1.066 1.00 0.19 H new ATOM 0 HB THR A 34 4.561 -9.880 1.434 1.00 0.14 H new ATOM 0 HG1 THR A 34 6.077 -11.369 2.383 1.00 0.22 H new ATOM 0 HG21 THR A 34 3.791 -12.118 2.160 1.00 0.29 H new ATOM 0 HG22 THR A 34 2.926 -11.587 0.698 1.00 0.29 H new ATOM 0 HG23 THR A 34 4.234 -12.787 0.572 1.00 0.29 H new ATOM 538 N ASP A 35 3.441 -11.126 -2.272 1.00 0.18 N ATOM 539 CA ASP A 35 2.109 -11.095 -2.940 1.00 0.27 C ATOM 540 C ASP A 35 1.057 -11.695 -2.005 1.00 0.40 C ATOM 541 O ASP A 35 1.162 -12.830 -1.584 1.00 0.90 O ATOM 542 CB ASP A 35 2.169 -11.912 -4.232 1.00 0.26 C ATOM 543 CG ASP A 35 0.835 -11.793 -4.973 1.00 0.46 C ATOM 544 OD1 ASP A 35 0.172 -10.784 -4.800 1.00 0.74 O ATOM 545 OD2 ASP A 35 0.500 -12.712 -5.701 1.00 1.63 O ATOM 0 H ASP A 35 4.124 -11.756 -2.693 1.00 0.18 H new ATOM 0 HA ASP A 35 1.842 -10.064 -3.174 1.00 0.27 H new ATOM 0 HB2 ASP A 35 2.982 -11.554 -4.864 1.00 0.26 H new ATOM 0 HB3 ASP A 35 2.379 -12.957 -4.005 1.00 0.26 H new ATOM 550 N ILE A 36 0.044 -10.941 -1.677 1.00 0.28 N ATOM 551 CA ILE A 36 -1.014 -11.468 -0.769 1.00 0.35 C ATOM 552 C ILE A 36 -2.150 -12.069 -1.601 1.00 0.41 C ATOM 553 O ILE A 36 -2.876 -12.930 -1.147 1.00 0.45 O ATOM 554 CB ILE A 36 -1.563 -10.328 0.091 1.00 0.36 C ATOM 555 CG1 ILE A 36 -1.925 -9.141 -0.806 1.00 0.37 C ATOM 556 CG2 ILE A 36 -0.499 -9.894 1.102 1.00 0.58 C ATOM 557 CD1 ILE A 36 -2.710 -8.109 0.006 1.00 0.53 C ATOM 0 H ILE A 36 -0.097 -9.983 -1.998 1.00 0.28 H new ATOM 0 HA ILE A 36 -0.588 -12.238 -0.125 1.00 0.35 H new ATOM 0 HB ILE A 36 -2.452 -10.669 0.621 1.00 0.36 H new ATOM 0 HG12 ILE A 36 -1.020 -8.689 -1.211 1.00 0.37 H new ATOM 0 HG13 ILE A 36 -2.519 -9.480 -1.654 1.00 0.37 H new ATOM 0 HG21 ILE A 36 -0.889 -9.082 1.715 1.00 0.58 H new ATOM 0 HG22 ILE A 36 -0.238 -10.738 1.741 1.00 0.58 H new ATOM 0 HG23 ILE A 36 0.390 -9.553 0.571 1.00 0.58 H new ATOM 0 HD11 ILE A 36 -2.968 -7.264 -0.632 1.00 0.53 H new ATOM 0 HD12 ILE A 36 -3.622 -8.566 0.390 1.00 0.53 H new ATOM 0 HD13 ILE A 36 -2.100 -7.761 0.840 1.00 0.53 H new ATOM 569 N PHE A 37 -2.307 -11.622 -2.817 1.00 0.43 N ATOM 570 CA PHE A 37 -3.395 -12.168 -3.676 1.00 0.51 C ATOM 571 C PHE A 37 -3.005 -13.563 -4.170 1.00 0.61 C ATOM 572 O PHE A 37 -3.761 -14.221 -4.856 1.00 0.62 O ATOM 573 CB PHE A 37 -3.610 -11.244 -4.877 1.00 0.57 C ATOM 574 CG PHE A 37 -3.836 -9.832 -4.392 1.00 0.47 C ATOM 575 CD1 PHE A 37 -5.076 -9.466 -3.856 1.00 0.50 C ATOM 576 CD2 PHE A 37 -2.804 -8.889 -4.477 1.00 0.43 C ATOM 577 CE1 PHE A 37 -5.286 -8.157 -3.406 1.00 0.51 C ATOM 578 CE2 PHE A 37 -3.014 -7.580 -4.027 1.00 0.37 C ATOM 579 CZ PHE A 37 -4.255 -7.214 -3.491 1.00 0.44 C ATOM 0 H PHE A 37 -1.729 -10.903 -3.252 1.00 0.43 H new ATOM 0 HA PHE A 37 -4.316 -12.232 -3.097 1.00 0.51 H new ATOM 0 HB2 PHE A 37 -2.743 -11.279 -5.536 1.00 0.57 H new ATOM 0 HB3 PHE A 37 -4.467 -11.581 -5.460 1.00 0.57 H new ATOM 0 HD1 PHE A 37 -5.871 -10.194 -3.789 1.00 0.50 H new ATOM 0 HD2 PHE A 37 -1.847 -9.171 -4.889 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -6.243 -7.875 -2.993 1.00 0.51 H new ATOM 0 HE2 PHE A 37 -2.219 -6.852 -4.093 1.00 0.37 H new ATOM 0 HZ PHE A 37 -4.417 -6.204 -3.143 1.00 0.44 H new ATOM 589 N ALA A 38 -1.832 -14.018 -3.826 1.00 0.71 N ATOM 590 CA ALA A 38 -1.397 -15.370 -4.278 1.00 0.83 C ATOM 591 C ALA A 38 -1.846 -16.418 -3.257 1.00 0.88 C ATOM 592 O ALA A 38 -1.395 -17.545 -3.271 1.00 1.05 O ATOM 593 CB ALA A 38 0.129 -15.399 -4.400 1.00 0.83 C ATOM 0 H ALA A 38 -1.156 -13.513 -3.252 1.00 0.71 H new ATOM 0 HA ALA A 38 -1.845 -15.591 -5.247 1.00 0.83 H new ATOM 0 HB1 ALA A 38 0.449 -16.387 -4.730 1.00 0.83 H new ATOM 0 HB2 ALA A 38 0.450 -14.652 -5.126 1.00 0.83 H new ATOM 0 HB3 ALA A 38 0.576 -15.178 -3.431 1.00 0.83 H new ATOM 599 N ALA A 39 -2.733 -16.055 -2.371 1.00 0.76 N ATOM 600 CA ALA A 39 -3.210 -17.030 -1.352 1.00 0.82 C ATOM 601 C ALA A 39 -4.499 -16.510 -0.712 1.00 0.77 C ATOM 602 O ALA A 39 -4.474 -15.831 0.296 1.00 0.98 O ATOM 603 CB ALA A 39 -2.141 -17.206 -0.273 1.00 0.83 C ATOM 0 H ALA A 39 -3.147 -15.125 -2.310 1.00 0.76 H new ATOM 0 HA ALA A 39 -3.403 -17.990 -1.831 1.00 0.82 H new ATOM 0 HB1 ALA A 39 -2.491 -17.920 0.473 1.00 0.83 H new ATOM 0 HB2 ALA A 39 -1.223 -17.577 -0.728 1.00 0.83 H new ATOM 0 HB3 ALA A 39 -1.946 -16.247 0.206 1.00 0.83 H new ATOM 609 N SER A 40 -5.628 -16.821 -1.289 1.00 1.29 N ATOM 610 CA SER A 40 -6.916 -16.344 -0.713 1.00 1.26 C ATOM 611 C SER A 40 -8.009 -17.381 -0.980 1.00 1.23 C ATOM 612 O SER A 40 -8.634 -17.385 -2.023 1.00 1.09 O ATOM 613 CB SER A 40 -7.304 -15.015 -1.362 1.00 1.22 C ATOM 614 OG SER A 40 -8.626 -14.671 -0.972 1.00 1.59 O ATOM 0 H SER A 40 -5.713 -17.385 -2.135 1.00 1.29 H new ATOM 0 HA SER A 40 -6.803 -16.204 0.362 1.00 1.26 H new ATOM 0 HB2 SER A 40 -6.608 -14.232 -1.060 1.00 1.22 H new ATOM 0 HB3 SER A 40 -7.242 -15.095 -2.447 1.00 1.22 H new ATOM 0 HG SER A 40 -8.600 -14.182 -0.123 1.00 1.59 H new ATOM 620 N LYS A 41 -8.247 -18.261 -0.046 1.00 1.38 N ATOM 621 CA LYS A 41 -9.300 -19.296 -0.248 1.00 1.36 C ATOM 622 C LYS A 41 -10.681 -18.643 -0.154 1.00 0.85 C ATOM 623 O LYS A 41 -11.476 -18.715 -1.069 1.00 1.45 O ATOM 624 CB LYS A 41 -9.171 -20.373 0.831 1.00 1.70 C ATOM 625 CG LYS A 41 -7.706 -20.796 0.958 1.00 2.38 C ATOM 626 CD LYS A 41 -7.206 -21.315 -0.392 1.00 0.77 C ATOM 627 CE LYS A 41 -5.971 -22.192 -0.177 1.00 1.50 C ATOM 628 NZ LYS A 41 -6.396 -23.544 0.284 1.00 2.83 N ATOM 0 H LYS A 41 -7.758 -18.308 0.848 1.00 1.38 H new ATOM 0 HA LYS A 41 -9.179 -19.751 -1.231 1.00 1.36 H new ATOM 0 HB2 LYS A 41 -9.534 -19.992 1.785 1.00 1.70 H new ATOM 0 HB3 LYS A 41 -9.788 -21.234 0.576 1.00 1.70 H new ATOM 0 HG2 LYS A 41 -7.099 -19.951 1.282 1.00 2.38 H new ATOM 0 HG3 LYS A 41 -7.605 -21.571 1.718 1.00 2.38 H new ATOM 0 HD2 LYS A 41 -7.990 -21.888 -0.886 1.00 0.77 H new ATOM 0 HD3 LYS A 41 -6.962 -20.479 -1.047 1.00 0.77 H new ATOM 0 HE2 LYS A 41 -5.404 -22.274 -1.104 1.00 1.50 H new ATOM 0 HE3 LYS A 41 -5.311 -21.735 0.561 1.00 1.50 H new ATOM 0 HZ1 LYS A 41 -5.592 -24.201 0.220 1.00 2.83 H new ATOM 0 HZ2 LYS A 41 -6.720 -23.488 1.271 1.00 2.83 H new ATOM 0 HZ3 LYS A 41 -7.173 -23.887 -0.316 1.00 2.83 H new ATOM 642 N ASP A 42 -10.972 -18.004 0.947 1.00 0.55 N ATOM 643 CA ASP A 42 -12.301 -17.348 1.099 1.00 1.24 C ATOM 644 C ASP A 42 -12.155 -16.098 1.968 1.00 1.13 C ATOM 645 O ASP A 42 -13.109 -15.620 2.550 1.00 1.54 O ATOM 646 CB ASP A 42 -13.277 -18.321 1.763 1.00 2.11 C ATOM 647 CG ASP A 42 -13.217 -18.148 3.281 1.00 2.14 C ATOM 648 OD1 ASP A 42 -12.120 -18.136 3.814 1.00 1.93 O ATOM 649 OD2 ASP A 42 -14.270 -18.028 3.886 1.00 3.11 O ATOM 0 H ASP A 42 -10.347 -17.908 1.747 1.00 0.55 H new ATOM 0 HA ASP A 42 -12.682 -17.066 0.118 1.00 1.24 H new ATOM 0 HB2 ASP A 42 -14.290 -18.137 1.405 1.00 2.11 H new ATOM 0 HB3 ASP A 42 -13.025 -19.346 1.493 1.00 2.11 H new ATOM 654 N THR A 43 -10.968 -15.564 2.062 1.00 0.62 N ATOM 655 CA THR A 43 -10.763 -14.345 2.894 1.00 0.57 C ATOM 656 C THR A 43 -11.606 -13.198 2.335 1.00 0.48 C ATOM 657 O THR A 43 -11.601 -12.932 1.150 1.00 0.44 O ATOM 658 CB THR A 43 -9.284 -13.952 2.867 1.00 0.52 C ATOM 659 OG1 THR A 43 -8.866 -13.784 1.520 1.00 0.38 O ATOM 660 CG2 THR A 43 -8.450 -15.049 3.530 1.00 0.64 C ATOM 0 H THR A 43 -10.132 -15.919 1.599 1.00 0.62 H new ATOM 0 HA THR A 43 -11.066 -14.551 3.921 1.00 0.57 H new ATOM 0 HB THR A 43 -9.146 -13.017 3.410 1.00 0.52 H new ATOM 0 HG1 THR A 43 -7.919 -13.531 1.500 1.00 0.38 H new ATOM 0 HG21 THR A 43 -7.397 -14.768 3.510 1.00 0.64 H new ATOM 0 HG22 THR A 43 -8.772 -15.176 4.564 1.00 0.64 H new ATOM 0 HG23 THR A 43 -8.586 -15.986 2.990 1.00 0.64 H new ATOM 668 N THR A 44 -12.330 -12.515 3.179 1.00 0.63 N ATOM 669 CA THR A 44 -13.173 -11.386 2.694 1.00 0.54 C ATOM 670 C THR A 44 -12.272 -10.224 2.272 1.00 0.43 C ATOM 671 O THR A 44 -11.069 -10.361 2.178 1.00 0.56 O ATOM 672 CB THR A 44 -14.105 -10.927 3.818 1.00 0.50 C ATOM 673 OG1 THR A 44 -13.331 -10.548 4.948 1.00 0.55 O ATOM 674 CG2 THR A 44 -15.047 -12.069 4.201 1.00 0.62 C ATOM 0 H THR A 44 -12.374 -12.690 4.183 1.00 0.63 H new ATOM 0 HA THR A 44 -13.767 -11.714 1.841 1.00 0.54 H new ATOM 0 HB THR A 44 -14.693 -10.074 3.478 1.00 0.50 H new ATOM 0 HG1 THR A 44 -13.926 -10.252 5.668 1.00 0.55 H new ATOM 0 HG21 THR A 44 -15.710 -11.741 5.001 1.00 0.62 H new ATOM 0 HG22 THR A 44 -15.641 -12.358 3.334 1.00 0.62 H new ATOM 0 HG23 THR A 44 -14.463 -12.924 4.541 1.00 0.62 H new ATOM 682 N GLU A 45 -12.845 -9.080 2.015 1.00 0.33 N ATOM 683 CA GLU A 45 -12.021 -7.910 1.599 1.00 0.30 C ATOM 684 C GLU A 45 -11.342 -7.302 2.828 1.00 0.34 C ATOM 685 O GLU A 45 -10.362 -6.592 2.719 1.00 0.47 O ATOM 686 CB GLU A 45 -12.919 -6.862 0.940 1.00 0.47 C ATOM 687 CG GLU A 45 -13.899 -7.552 -0.011 1.00 0.70 C ATOM 688 CD GLU A 45 -14.727 -6.497 -0.746 1.00 1.48 C ATOM 689 OE1 GLU A 45 -14.536 -5.324 -0.470 1.00 2.22 O ATOM 690 OE2 GLU A 45 -15.538 -6.880 -1.573 1.00 2.04 O ATOM 0 H GLU A 45 -13.848 -8.905 2.075 1.00 0.33 H new ATOM 0 HA GLU A 45 -11.261 -8.235 0.888 1.00 0.30 H new ATOM 0 HB2 GLU A 45 -13.466 -6.306 1.702 1.00 0.47 H new ATOM 0 HB3 GLU A 45 -12.312 -6.141 0.393 1.00 0.47 H new ATOM 0 HG2 GLU A 45 -13.354 -8.166 -0.728 1.00 0.70 H new ATOM 0 HG3 GLU A 45 -14.555 -8.220 0.548 1.00 0.70 H new ATOM 697 N LYS A 46 -11.856 -7.574 3.996 1.00 0.27 N ATOM 698 CA LYS A 46 -11.240 -7.009 5.231 1.00 0.34 C ATOM 699 C LYS A 46 -9.844 -7.606 5.422 1.00 0.28 C ATOM 700 O LYS A 46 -8.847 -6.916 5.343 1.00 0.41 O ATOM 701 CB LYS A 46 -12.112 -7.355 6.440 1.00 0.39 C ATOM 702 CG LYS A 46 -13.501 -6.739 6.261 1.00 0.52 C ATOM 703 CD LYS A 46 -13.885 -5.971 7.528 1.00 0.61 C ATOM 704 CE LYS A 46 -15.360 -5.571 7.454 1.00 1.31 C ATOM 705 NZ LYS A 46 -15.495 -4.117 7.755 1.00 1.53 N ATOM 0 H LYS A 46 -12.675 -8.162 4.149 1.00 0.27 H new ATOM 0 HA LYS A 46 -11.163 -5.926 5.137 1.00 0.34 H new ATOM 0 HB2 LYS A 46 -12.193 -8.437 6.545 1.00 0.39 H new ATOM 0 HB3 LYS A 46 -11.651 -6.979 7.354 1.00 0.39 H new ATOM 0 HG2 LYS A 46 -13.505 -6.069 5.401 1.00 0.52 H new ATOM 0 HG3 LYS A 46 -14.234 -7.520 6.060 1.00 0.52 H new ATOM 0 HD2 LYS A 46 -13.708 -6.589 8.408 1.00 0.61 H new ATOM 0 HD3 LYS A 46 -13.261 -5.083 7.631 1.00 0.61 H new ATOM 0 HE2 LYS A 46 -15.757 -5.787 6.462 1.00 1.31 H new ATOM 0 HE3 LYS A 46 -15.943 -6.156 8.165 1.00 1.31 H new ATOM 0 HZ1 LYS A 46 -16.497 -3.844 7.705 1.00 1.53 H new ATOM 0 HZ2 LYS A 46 -15.131 -3.925 8.710 1.00 1.53 H new ATOM 0 HZ3 LYS A 46 -14.951 -3.567 7.060 1.00 1.53 H new ATOM 719 N GLU A 47 -9.765 -8.884 5.674 1.00 0.22 N ATOM 720 CA GLU A 47 -8.434 -9.524 5.871 1.00 0.26 C ATOM 721 C GLU A 47 -7.541 -9.229 4.665 1.00 0.18 C ATOM 722 O GLU A 47 -6.348 -9.461 4.691 1.00 0.23 O ATOM 723 CB GLU A 47 -8.612 -11.037 6.016 1.00 0.38 C ATOM 724 CG GLU A 47 -9.172 -11.355 7.404 1.00 0.52 C ATOM 725 CD GLU A 47 -10.188 -12.493 7.295 1.00 1.27 C ATOM 726 OE1 GLU A 47 -11.230 -12.276 6.700 1.00 2.42 O ATOM 727 OE2 GLU A 47 -9.907 -13.563 7.810 1.00 1.59 O ATOM 0 H GLU A 47 -10.565 -9.512 5.752 1.00 0.22 H new ATOM 0 HA GLU A 47 -7.969 -9.124 6.772 1.00 0.26 H new ATOM 0 HB2 GLU A 47 -9.287 -11.410 5.246 1.00 0.38 H new ATOM 0 HB3 GLU A 47 -7.656 -11.542 5.874 1.00 0.38 H new ATOM 0 HG2 GLU A 47 -8.364 -11.638 8.078 1.00 0.52 H new ATOM 0 HG3 GLU A 47 -9.646 -10.470 7.828 1.00 0.52 H new ATOM 734 N THR A 48 -8.107 -8.719 3.605 1.00 0.19 N ATOM 735 CA THR A 48 -7.289 -8.410 2.399 1.00 0.13 C ATOM 736 C THR A 48 -6.546 -7.090 2.611 1.00 0.05 C ATOM 737 O THR A 48 -5.356 -6.994 2.380 1.00 0.10 O ATOM 738 CB THR A 48 -8.206 -8.289 1.178 1.00 0.14 C ATOM 739 OG1 THR A 48 -9.160 -9.341 1.199 1.00 0.22 O ATOM 740 CG2 THR A 48 -7.371 -8.380 -0.100 1.00 0.27 C ATOM 0 H THR A 48 -9.100 -8.503 3.523 1.00 0.19 H new ATOM 0 HA THR A 48 -6.568 -9.210 2.234 1.00 0.13 H new ATOM 0 HB THR A 48 -8.722 -7.329 1.204 1.00 0.14 H new ATOM 0 HG1 THR A 48 -9.769 -9.215 1.957 1.00 0.22 H new ATOM 0 HG21 THR A 48 -8.024 -8.294 -0.968 1.00 0.27 H new ATOM 0 HG22 THR A 48 -6.639 -7.572 -0.115 1.00 0.27 H new ATOM 0 HG23 THR A 48 -6.854 -9.339 -0.129 1.00 0.27 H new ATOM 748 N PHE A 49 -7.235 -6.072 3.047 1.00 0.04 N ATOM 749 CA PHE A 49 -6.565 -4.761 3.272 1.00 0.13 C ATOM 750 C PHE A 49 -5.555 -4.892 4.414 1.00 0.13 C ATOM 751 O PHE A 49 -4.551 -4.209 4.449 1.00 0.15 O ATOM 752 CB PHE A 49 -7.614 -3.708 3.638 1.00 0.26 C ATOM 753 CG PHE A 49 -8.600 -3.564 2.504 1.00 0.31 C ATOM 754 CD1 PHE A 49 -8.186 -3.011 1.285 1.00 0.35 C ATOM 755 CD2 PHE A 49 -9.927 -3.981 2.667 1.00 0.33 C ATOM 756 CE1 PHE A 49 -9.098 -2.877 0.231 1.00 0.42 C ATOM 757 CE2 PHE A 49 -10.838 -3.847 1.614 1.00 0.38 C ATOM 758 CZ PHE A 49 -10.424 -3.295 0.396 1.00 0.43 C ATOM 0 H PHE A 49 -8.233 -6.091 3.257 1.00 0.04 H new ATOM 0 HA PHE A 49 -6.047 -4.458 2.362 1.00 0.13 H new ATOM 0 HB2 PHE A 49 -8.134 -3.999 4.551 1.00 0.26 H new ATOM 0 HB3 PHE A 49 -7.131 -2.752 3.837 1.00 0.26 H new ATOM 0 HD1 PHE A 49 -7.163 -2.688 1.158 1.00 0.35 H new ATOM 0 HD2 PHE A 49 -10.247 -4.406 3.607 1.00 0.33 H new ATOM 0 HE1 PHE A 49 -8.779 -2.451 -0.709 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -11.861 -4.169 1.741 1.00 0.38 H new ATOM 0 HZ PHE A 49 -11.128 -3.192 -0.417 1.00 0.43 H new ATOM 768 N CYS A 50 -5.812 -5.766 5.348 1.00 0.17 N ATOM 769 CA CYS A 50 -4.866 -5.939 6.486 1.00 0.24 C ATOM 770 C CYS A 50 -3.571 -6.581 5.980 1.00 0.19 C ATOM 771 O CYS A 50 -2.498 -6.032 6.127 1.00 0.17 O ATOM 772 CB CYS A 50 -5.501 -6.842 7.546 1.00 0.36 C ATOM 773 SG CYS A 50 -4.198 -7.617 8.535 1.00 0.39 S ATOM 0 H CYS A 50 -6.636 -6.367 5.372 1.00 0.17 H new ATOM 0 HA CYS A 50 -4.643 -4.966 6.924 1.00 0.24 H new ATOM 0 HB2 CYS A 50 -6.162 -6.259 8.188 1.00 0.36 H new ATOM 0 HB3 CYS A 50 -6.114 -7.607 7.068 1.00 0.36 H new ATOM 778 N ARG A 51 -3.665 -7.740 5.387 1.00 0.20 N ATOM 779 CA ARG A 51 -2.440 -8.415 4.874 1.00 0.23 C ATOM 780 C ARG A 51 -1.606 -7.412 4.074 1.00 0.21 C ATOM 781 O ARG A 51 -0.399 -7.348 4.207 1.00 0.30 O ATOM 782 CB ARG A 51 -2.842 -9.581 3.968 1.00 0.24 C ATOM 783 CG ARG A 51 -3.320 -10.753 4.826 1.00 0.22 C ATOM 784 CD ARG A 51 -3.884 -11.852 3.923 1.00 0.30 C ATOM 785 NE ARG A 51 -3.171 -13.131 4.193 1.00 0.82 N ATOM 786 CZ ARG A 51 -3.672 -14.259 3.767 1.00 0.98 C ATOM 787 NH1 ARG A 51 -4.796 -14.265 3.105 1.00 0.79 N ATOM 788 NH2 ARG A 51 -3.047 -15.381 4.004 1.00 1.74 N ATOM 0 H ARG A 51 -4.537 -8.248 5.236 1.00 0.20 H new ATOM 0 HA ARG A 51 -1.853 -8.792 5.712 1.00 0.23 H new ATOM 0 HB2 ARG A 51 -3.633 -9.269 3.286 1.00 0.24 H new ATOM 0 HB3 ARG A 51 -1.995 -9.887 3.355 1.00 0.24 H new ATOM 0 HG2 ARG A 51 -2.493 -11.144 5.419 1.00 0.22 H new ATOM 0 HG3 ARG A 51 -4.084 -10.416 5.527 1.00 0.22 H new ATOM 0 HD2 ARG A 51 -4.952 -11.974 4.104 1.00 0.30 H new ATOM 0 HD3 ARG A 51 -3.768 -11.572 2.876 1.00 0.30 H new ATOM 0 HE ARG A 51 -2.292 -13.126 4.710 1.00 0.82 H new ATOM 0 HH11 ARG A 51 -5.284 -13.388 2.920 1.00 0.79 H new ATOM 0 HH12 ARG A 51 -5.187 -15.146 2.772 1.00 0.79 H new ATOM 0 HH21 ARG A 51 -2.168 -15.376 4.522 1.00 1.74 H new ATOM 0 HH22 ARG A 51 -3.438 -16.263 3.672 1.00 1.74 H new ATOM 802 N ALA A 52 -2.238 -6.627 3.246 1.00 0.15 N ATOM 803 CA ALA A 52 -1.481 -5.628 2.440 1.00 0.23 C ATOM 804 C ALA A 52 -0.691 -4.714 3.377 1.00 0.25 C ATOM 805 O ALA A 52 0.486 -4.482 3.188 1.00 0.35 O ATOM 806 CB ALA A 52 -2.460 -4.791 1.615 1.00 0.26 C ATOM 0 H ALA A 52 -3.246 -6.634 3.093 1.00 0.15 H new ATOM 0 HA ALA A 52 -0.793 -6.145 1.771 1.00 0.23 H new ATOM 0 HB1 ALA A 52 -1.907 -4.060 1.025 1.00 0.26 H new ATOM 0 HB2 ALA A 52 -3.024 -5.443 0.948 1.00 0.26 H new ATOM 0 HB3 ALA A 52 -3.148 -4.272 2.283 1.00 0.26 H new ATOM 812 N ALA A 53 -1.330 -4.191 4.389 1.00 0.17 N ATOM 813 CA ALA A 53 -0.615 -3.291 5.337 1.00 0.18 C ATOM 814 C ALA A 53 0.604 -4.019 5.909 1.00 0.17 C ATOM 815 O ALA A 53 1.696 -3.487 5.943 1.00 0.15 O ATOM 816 CB ALA A 53 -1.556 -2.900 6.478 1.00 0.20 C ATOM 0 H ALA A 53 -2.316 -4.348 4.599 1.00 0.17 H new ATOM 0 HA ALA A 53 -0.290 -2.394 4.811 1.00 0.18 H new ATOM 0 HB1 ALA A 53 -1.033 -2.242 7.172 1.00 0.20 H new ATOM 0 HB2 ALA A 53 -2.425 -2.382 6.072 1.00 0.20 H new ATOM 0 HB3 ALA A 53 -1.881 -3.797 7.005 1.00 0.20 H new ATOM 822 N THR A 54 0.427 -5.230 6.358 1.00 0.19 N ATOM 823 CA THR A 54 1.577 -5.989 6.926 1.00 0.18 C ATOM 824 C THR A 54 2.767 -5.895 5.970 1.00 0.14 C ATOM 825 O THR A 54 3.889 -5.666 6.379 1.00 0.14 O ATOM 826 CB THR A 54 1.181 -7.456 7.107 1.00 0.20 C ATOM 827 OG1 THR A 54 -0.047 -7.530 7.816 1.00 0.22 O ATOM 828 CG2 THR A 54 2.271 -8.189 7.891 1.00 0.20 C ATOM 0 H THR A 54 -0.464 -5.727 6.356 1.00 0.19 H new ATOM 0 HA THR A 54 1.852 -5.567 7.893 1.00 0.18 H new ATOM 0 HB THR A 54 1.064 -7.924 6.129 1.00 0.20 H new ATOM 0 HG1 THR A 54 -0.302 -8.469 7.931 1.00 0.22 H new ATOM 0 HG21 THR A 54 1.987 -9.234 8.019 1.00 0.20 H new ATOM 0 HG22 THR A 54 3.212 -8.133 7.344 1.00 0.20 H new ATOM 0 HG23 THR A 54 2.391 -7.723 8.869 1.00 0.20 H new ATOM 836 N VAL A 55 2.532 -6.070 4.698 1.00 0.11 N ATOM 837 CA VAL A 55 3.650 -5.989 3.716 1.00 0.07 C ATOM 838 C VAL A 55 4.228 -4.573 3.720 1.00 0.08 C ATOM 839 O VAL A 55 5.374 -4.359 4.065 1.00 0.08 O ATOM 840 CB VAL A 55 3.124 -6.322 2.319 1.00 0.07 C ATOM 841 CG1 VAL A 55 4.276 -6.270 1.314 1.00 0.07 C ATOM 842 CG2 VAL A 55 2.517 -7.727 2.324 1.00 0.10 C ATOM 0 H VAL A 55 1.615 -6.265 4.297 1.00 0.11 H new ATOM 0 HA VAL A 55 4.429 -6.700 3.990 1.00 0.07 H new ATOM 0 HB VAL A 55 2.361 -5.596 2.036 1.00 0.07 H new ATOM 0 HG11 VAL A 55 3.901 -6.507 0.318 1.00 0.07 H new ATOM 0 HG12 VAL A 55 4.710 -5.270 1.310 1.00 0.07 H new ATOM 0 HG13 VAL A 55 5.039 -6.995 1.597 1.00 0.07 H new ATOM 0 HG21 VAL A 55 2.142 -7.965 1.329 1.00 0.10 H new ATOM 0 HG22 VAL A 55 3.280 -8.452 2.607 1.00 0.10 H new ATOM 0 HG23 VAL A 55 1.696 -7.766 3.040 1.00 0.10 H new ATOM 852 N LEU A 56 3.444 -3.601 3.339 1.00 0.08 N ATOM 853 CA LEU A 56 3.951 -2.200 3.324 1.00 0.10 C ATOM 854 C LEU A 56 4.658 -1.905 4.648 1.00 0.10 C ATOM 855 O LEU A 56 5.561 -1.096 4.716 1.00 0.07 O ATOM 856 CB LEU A 56 2.781 -1.231 3.143 1.00 0.10 C ATOM 857 CG LEU A 56 1.934 -1.661 1.942 1.00 0.17 C ATOM 858 CD1 LEU A 56 0.811 -0.646 1.721 1.00 0.09 C ATOM 859 CD2 LEU A 56 2.814 -1.725 0.692 1.00 0.49 C ATOM 0 H LEU A 56 2.476 -3.717 3.038 1.00 0.08 H new ATOM 0 HA LEU A 56 4.652 -2.076 2.498 1.00 0.10 H new ATOM 0 HB2 LEU A 56 2.168 -1.213 4.044 1.00 0.10 H new ATOM 0 HB3 LEU A 56 3.155 -0.218 2.992 1.00 0.10 H new ATOM 0 HG LEU A 56 1.505 -2.644 2.135 1.00 0.17 H new ATOM 0 HD11 LEU A 56 0.208 -0.951 0.866 1.00 0.09 H new ATOM 0 HD12 LEU A 56 0.183 -0.599 2.610 1.00 0.09 H new ATOM 0 HD13 LEU A 56 1.241 0.337 1.529 1.00 0.09 H new ATOM 0 HD21 LEU A 56 2.211 -2.031 -0.163 1.00 0.49 H new ATOM 0 HD22 LEU A 56 3.244 -0.742 0.499 1.00 0.49 H new ATOM 0 HD23 LEU A 56 3.615 -2.447 0.848 1.00 0.49 H new ATOM 871 N ARG A 57 4.255 -2.559 5.703 1.00 0.13 N ATOM 872 CA ARG A 57 4.904 -2.317 7.021 1.00 0.13 C ATOM 873 C ARG A 57 6.377 -2.727 6.947 1.00 0.13 C ATOM 874 O ARG A 57 7.264 -1.898 6.996 1.00 0.14 O ATOM 875 CB ARG A 57 4.198 -3.145 8.097 1.00 0.17 C ATOM 876 CG ARG A 57 3.801 -2.237 9.262 1.00 0.37 C ATOM 877 CD ARG A 57 3.299 -3.090 10.428 1.00 0.27 C ATOM 878 NE ARG A 57 4.447 -3.466 11.299 1.00 0.87 N ATOM 879 CZ ARG A 57 4.232 -3.932 12.499 1.00 1.20 C ATOM 880 NH1 ARG A 57 3.009 -4.071 12.935 1.00 0.76 N ATOM 881 NH2 ARG A 57 5.238 -4.262 13.261 1.00 2.17 N ATOM 0 H ARG A 57 3.505 -3.250 5.708 1.00 0.13 H new ATOM 0 HA ARG A 57 4.833 -1.259 7.272 1.00 0.13 H new ATOM 0 HB2 ARG A 57 3.313 -3.625 7.679 1.00 0.17 H new ATOM 0 HB3 ARG A 57 4.856 -3.940 8.449 1.00 0.17 H new ATOM 0 HG2 ARG A 57 4.656 -1.638 9.577 1.00 0.37 H new ATOM 0 HG3 ARG A 57 3.024 -1.541 8.946 1.00 0.37 H new ATOM 0 HD2 ARG A 57 2.557 -2.537 11.004 1.00 0.27 H new ATOM 0 HD3 ARG A 57 2.806 -3.986 10.051 1.00 0.27 H new ATOM 0 HE ARG A 57 5.402 -3.359 10.957 1.00 0.87 H new ATOM 0 HH11 ARG A 57 2.223 -3.815 12.338 1.00 0.76 H new ATOM 0 HH12 ARG A 57 2.840 -4.435 13.873 1.00 0.76 H new ATOM 0 HH21 ARG A 57 6.193 -4.156 12.919 1.00 2.17 H new ATOM 0 HH22 ARG A 57 5.070 -4.626 14.199 1.00 2.17 H new ATOM 895 N GLN A 58 6.645 -3.999 6.830 1.00 0.17 N ATOM 896 CA GLN A 58 8.062 -4.457 6.755 1.00 0.18 C ATOM 897 C GLN A 58 8.723 -3.875 5.503 1.00 0.13 C ATOM 898 O GLN A 58 9.893 -4.085 5.255 1.00 0.14 O ATOM 899 CB GLN A 58 8.103 -5.985 6.691 1.00 0.22 C ATOM 900 CG GLN A 58 7.815 -6.447 5.262 1.00 0.70 C ATOM 901 CD GLN A 58 7.370 -7.911 5.277 1.00 0.38 C ATOM 902 OE1 GLN A 58 6.189 -8.199 5.247 1.00 1.33 O ATOM 903 NE2 GLN A 58 8.270 -8.854 5.324 1.00 1.16 N ATOM 0 H GLN A 58 5.946 -4.740 6.783 1.00 0.17 H new ATOM 0 HA GLN A 58 8.600 -4.117 7.640 1.00 0.18 H new ATOM 0 HB2 GLN A 58 9.080 -6.346 7.011 1.00 0.22 H new ATOM 0 HB3 GLN A 58 7.368 -6.408 7.376 1.00 0.22 H new ATOM 0 HG2 GLN A 58 7.038 -5.825 4.817 1.00 0.70 H new ATOM 0 HG3 GLN A 58 8.707 -6.333 4.645 1.00 0.70 H new ATOM 0 HE21 GLN A 58 9.261 -8.613 5.349 1.00 1.16 H new ATOM 0 HE22 GLN A 58 7.983 -9.833 5.336 1.00 1.16 H new ATOM 912 N PHE A 59 7.983 -3.149 4.710 1.00 0.09 N ATOM 913 CA PHE A 59 8.575 -2.560 3.475 1.00 0.07 C ATOM 914 C PHE A 59 9.302 -1.256 3.817 1.00 0.10 C ATOM 915 O PHE A 59 10.515 -1.207 3.867 1.00 0.10 O ATOM 916 CB PHE A 59 7.465 -2.269 2.462 1.00 0.05 C ATOM 917 CG PHE A 59 8.080 -1.948 1.122 1.00 0.19 C ATOM 918 CD1 PHE A 59 8.450 -2.983 0.254 1.00 0.30 C ATOM 919 CD2 PHE A 59 8.279 -0.614 0.745 1.00 0.25 C ATOM 920 CE1 PHE A 59 9.019 -2.685 -0.989 1.00 0.43 C ATOM 921 CE2 PHE A 59 8.850 -0.315 -0.498 1.00 0.38 C ATOM 922 CZ PHE A 59 9.219 -1.351 -1.366 1.00 0.46 C ATOM 0 H PHE A 59 6.997 -2.939 4.863 1.00 0.09 H new ATOM 0 HA PHE A 59 9.285 -3.268 3.048 1.00 0.07 H new ATOM 0 HB2 PHE A 59 6.803 -3.131 2.374 1.00 0.05 H new ATOM 0 HB3 PHE A 59 6.855 -1.433 2.804 1.00 0.05 H new ATOM 0 HD1 PHE A 59 8.296 -4.012 0.544 1.00 0.30 H new ATOM 0 HD2 PHE A 59 7.992 0.184 1.413 1.00 0.25 H new ATOM 0 HE1 PHE A 59 9.304 -3.484 -1.658 1.00 0.43 H new ATOM 0 HE2 PHE A 59 9.006 0.714 -0.788 1.00 0.38 H new ATOM 0 HZ PHE A 59 9.658 -1.121 -2.326 1.00 0.46 H new ATOM 932 N TYR A 60 8.572 -0.198 4.046 1.00 0.14 N ATOM 933 CA TYR A 60 9.228 1.100 4.375 1.00 0.18 C ATOM 934 C TYR A 60 9.826 1.041 5.783 1.00 0.19 C ATOM 935 O TYR A 60 10.487 1.961 6.224 1.00 0.22 O ATOM 936 CB TYR A 60 8.196 2.231 4.304 1.00 0.19 C ATOM 937 CG TYR A 60 7.164 2.047 5.391 1.00 0.18 C ATOM 938 CD1 TYR A 60 7.445 2.449 6.702 1.00 0.22 C ATOM 939 CD2 TYR A 60 5.923 1.474 5.085 1.00 0.13 C ATOM 940 CE1 TYR A 60 6.486 2.278 7.708 1.00 0.22 C ATOM 941 CE2 TYR A 60 4.964 1.303 6.091 1.00 0.13 C ATOM 942 CZ TYR A 60 5.246 1.706 7.402 1.00 0.18 C ATOM 943 OH TYR A 60 4.300 1.538 8.393 1.00 0.21 O ATOM 0 H TYR A 60 7.553 -0.176 4.020 1.00 0.14 H new ATOM 0 HA TYR A 60 10.025 1.289 3.655 1.00 0.18 H new ATOM 0 HB2 TYR A 60 8.691 3.195 4.418 1.00 0.19 H new ATOM 0 HB3 TYR A 60 7.713 2.235 3.327 1.00 0.19 H new ATOM 0 HD1 TYR A 60 8.402 2.891 6.938 1.00 0.22 H new ATOM 0 HD2 TYR A 60 5.706 1.164 4.073 1.00 0.13 H new ATOM 0 HE1 TYR A 60 6.703 2.587 8.720 1.00 0.22 H new ATOM 0 HE2 TYR A 60 4.007 0.860 5.856 1.00 0.13 H new ATOM 0 HH TYR A 60 3.443 1.906 8.093 1.00 0.21 H new ATOM 953 N SER A 61 9.603 -0.030 6.493 1.00 0.18 N ATOM 954 CA SER A 61 10.164 -0.137 7.869 1.00 0.20 C ATOM 955 C SER A 61 11.537 -0.812 7.811 1.00 0.18 C ATOM 956 O SER A 61 12.464 -0.412 8.486 1.00 0.22 O ATOM 957 CB SER A 61 9.224 -0.967 8.743 1.00 0.19 C ATOM 958 OG SER A 61 7.922 -0.397 8.706 1.00 0.24 O ATOM 0 H SER A 61 9.058 -0.834 6.181 1.00 0.18 H new ATOM 0 HA SER A 61 10.268 0.861 8.295 1.00 0.20 H new ATOM 0 HB2 SER A 61 9.193 -1.997 8.387 1.00 0.19 H new ATOM 0 HB3 SER A 61 9.592 -0.995 9.769 1.00 0.19 H new ATOM 0 HG SER A 61 7.488 -0.628 7.859 1.00 0.24 H new ATOM 964 N HIS A 62 11.674 -1.832 7.009 1.00 0.13 N ATOM 965 CA HIS A 62 12.987 -2.530 6.910 1.00 0.16 C ATOM 966 C HIS A 62 13.829 -1.880 5.811 1.00 0.24 C ATOM 967 O HIS A 62 15.016 -2.115 5.703 1.00 0.67 O ATOM 968 CB HIS A 62 12.759 -4.004 6.569 1.00 0.15 C ATOM 969 CG HIS A 62 11.958 -4.656 7.663 1.00 0.54 C ATOM 970 ND1 HIS A 62 11.722 -6.021 7.693 1.00 1.36 N ATOM 971 CD2 HIS A 62 11.332 -4.143 8.773 1.00 1.61 C ATOM 972 CE1 HIS A 62 10.983 -6.281 8.787 1.00 1.26 C ATOM 973 NE2 HIS A 62 10.717 -5.171 9.481 1.00 1.52 N ATOM 0 H HIS A 62 10.934 -2.212 6.418 1.00 0.13 H new ATOM 0 HA HIS A 62 13.510 -2.454 7.864 1.00 0.16 H new ATOM 0 HB2 HIS A 62 12.233 -4.091 5.618 1.00 0.15 H new ATOM 0 HB3 HIS A 62 13.716 -4.513 6.452 1.00 0.15 H new ATOM 0 HD2 HIS A 62 11.319 -3.100 9.054 1.00 1.61 H new ATOM 0 HE1 HIS A 62 10.646 -7.267 9.070 1.00 1.26 H new ATOM 0 HE2 HIS A 62 10.179 -5.094 10.344 1.00 1.52 H new ATOM 981 N HIS A 63 13.223 -1.064 4.991 1.00 0.21 N ATOM 982 CA HIS A 63 13.986 -0.402 3.896 1.00 0.17 C ATOM 983 C HIS A 63 14.470 0.971 4.368 1.00 0.16 C ATOM 984 O HIS A 63 15.599 1.355 4.136 1.00 0.22 O ATOM 985 CB HIS A 63 13.078 -0.229 2.678 1.00 0.19 C ATOM 986 CG HIS A 63 12.782 -1.575 2.079 1.00 0.20 C ATOM 987 ND1 HIS A 63 13.759 -2.548 1.930 1.00 0.19 N ATOM 988 CD2 HIS A 63 11.625 -2.127 1.588 1.00 0.29 C ATOM 989 CE1 HIS A 63 13.176 -3.625 1.370 1.00 0.19 C ATOM 990 NE2 HIS A 63 11.877 -3.422 1.141 1.00 0.25 N ATOM 0 H HIS A 63 12.232 -0.828 5.033 1.00 0.21 H new ATOM 0 HA HIS A 63 14.845 -1.017 3.628 1.00 0.17 H new ATOM 0 HB2 HIS A 63 12.150 0.263 2.970 1.00 0.19 H new ATOM 0 HB3 HIS A 63 13.560 0.412 1.940 1.00 0.19 H new ATOM 0 HD2 HIS A 63 10.665 -1.633 1.554 1.00 0.29 H new ATOM 0 HE1 HIS A 63 13.696 -4.542 1.135 1.00 0.19 H new ATOM 0 HE2 HIS A 63 11.211 -4.075 0.727 1.00 0.25 H new ATOM 998 N GLU A 64 13.622 1.713 5.026 1.00 0.17 N ATOM 999 CA GLU A 64 14.027 3.062 5.514 1.00 0.18 C ATOM 1000 C GLU A 64 15.402 2.976 6.179 1.00 0.28 C ATOM 1001 O GLU A 64 16.171 3.917 6.160 1.00 0.37 O ATOM 1002 CB GLU A 64 13.000 3.560 6.532 1.00 0.31 C ATOM 1003 CG GLU A 64 13.546 4.798 7.245 1.00 0.43 C ATOM 1004 CD GLU A 64 14.220 4.379 8.553 1.00 1.75 C ATOM 1005 OE1 GLU A 64 13.548 3.779 9.376 1.00 2.47 O ATOM 1006 OE2 GLU A 64 15.394 4.665 8.710 1.00 2.73 O ATOM 0 H GLU A 64 12.664 1.443 5.247 1.00 0.17 H new ATOM 0 HA GLU A 64 14.075 3.754 4.673 1.00 0.18 H new ATOM 0 HB2 GLU A 64 12.062 3.800 6.031 1.00 0.31 H new ATOM 0 HB3 GLU A 64 12.782 2.776 7.257 1.00 0.31 H new ATOM 0 HG2 GLU A 64 14.261 5.314 6.604 1.00 0.43 H new ATOM 0 HG3 GLU A 64 12.737 5.499 7.449 1.00 0.43 H new ATOM 1013 N LYS A 65 15.719 1.855 6.765 1.00 0.32 N ATOM 1014 CA LYS A 65 17.046 1.710 7.429 1.00 0.48 C ATOM 1015 C LYS A 65 18.048 1.113 6.441 1.00 0.46 C ATOM 1016 O LYS A 65 19.245 1.240 6.602 1.00 0.59 O ATOM 1017 CB LYS A 65 16.909 0.785 8.641 1.00 0.56 C ATOM 1018 CG LYS A 65 16.193 1.525 9.774 1.00 0.79 C ATOM 1019 CD LYS A 65 15.105 0.627 10.366 1.00 0.23 C ATOM 1020 CE LYS A 65 15.725 -0.693 10.828 1.00 2.12 C ATOM 1021 NZ LYS A 65 15.219 -1.028 12.190 1.00 2.10 N ATOM 0 H LYS A 65 15.117 1.033 6.813 1.00 0.32 H new ATOM 0 HA LYS A 65 17.399 2.688 7.756 1.00 0.48 H new ATOM 0 HB2 LYS A 65 16.350 -0.110 8.367 1.00 0.56 H new ATOM 0 HB3 LYS A 65 17.894 0.456 8.973 1.00 0.56 H new ATOM 0 HG2 LYS A 65 16.908 1.806 10.548 1.00 0.79 H new ATOM 0 HG3 LYS A 65 15.752 2.448 9.398 1.00 0.79 H new ATOM 0 HD2 LYS A 65 14.623 1.128 11.206 1.00 0.23 H new ATOM 0 HD3 LYS A 65 14.332 0.437 9.622 1.00 0.23 H new ATOM 0 HE2 LYS A 65 15.474 -1.490 10.128 1.00 2.12 H new ATOM 0 HE3 LYS A 65 16.812 -0.612 10.842 1.00 2.12 H new ATOM 0 HZ1 LYS A 65 15.640 -1.925 12.506 1.00 2.10 H new ATOM 0 HZ2 LYS A 65 15.480 -0.271 12.853 1.00 2.10 H new ATOM 0 HZ3 LYS A 65 14.184 -1.122 12.162 1.00 2.10 H new ATOM 1035 N ASP A 66 17.569 0.462 5.415 1.00 0.41 N ATOM 1036 CA ASP A 66 18.496 -0.141 4.416 1.00 0.52 C ATOM 1037 C ASP A 66 19.037 0.957 3.497 1.00 0.53 C ATOM 1038 O ASP A 66 18.299 1.792 3.012 1.00 0.62 O ATOM 1039 CB ASP A 66 17.744 -1.180 3.583 1.00 0.60 C ATOM 1040 CG ASP A 66 18.733 -2.206 3.029 1.00 1.07 C ATOM 1041 OD1 ASP A 66 19.637 -1.803 2.315 1.00 2.05 O ATOM 1042 OD2 ASP A 66 18.572 -3.378 3.330 1.00 1.25 O ATOM 0 H ASP A 66 16.576 0.322 5.226 1.00 0.41 H new ATOM 0 HA ASP A 66 19.325 -0.624 4.934 1.00 0.52 H new ATOM 0 HB2 ASP A 66 16.993 -1.678 4.196 1.00 0.60 H new ATOM 0 HB3 ASP A 66 17.215 -0.691 2.765 1.00 0.60 H new ATOM 1047 N THR A 67 20.319 0.962 3.254 1.00 0.45 N ATOM 1048 CA THR A 67 20.904 2.007 2.367 1.00 0.46 C ATOM 1049 C THR A 67 20.697 1.609 0.905 1.00 0.47 C ATOM 1050 O THR A 67 21.581 1.750 0.083 1.00 0.51 O ATOM 1051 CB THR A 67 22.402 2.140 2.654 1.00 0.54 C ATOM 1052 OG1 THR A 67 23.074 0.974 2.196 1.00 0.80 O ATOM 1053 CG2 THR A 67 22.623 2.302 4.158 1.00 0.22 C ATOM 0 H THR A 67 20.986 0.289 3.631 1.00 0.45 H new ATOM 0 HA THR A 67 20.412 2.961 2.556 1.00 0.46 H new ATOM 0 HB THR A 67 22.796 3.015 2.136 1.00 0.54 H new ATOM 0 HG1 THR A 67 24.034 1.057 2.377 1.00 0.80 H new ATOM 0 HG21 THR A 67 23.690 2.397 4.361 1.00 0.22 H new ATOM 0 HG22 THR A 67 22.107 3.196 4.507 1.00 0.22 H new ATOM 0 HG23 THR A 67 22.230 1.429 4.680 1.00 0.22 H new ATOM 1061 N ARG A 68 19.535 1.113 0.575 1.00 0.45 N ATOM 1062 CA ARG A 68 19.267 0.704 -0.835 1.00 0.48 C ATOM 1063 C ARG A 68 18.536 1.832 -1.566 1.00 0.44 C ATOM 1064 O ARG A 68 19.011 2.352 -2.556 1.00 0.45 O ATOM 1065 CB ARG A 68 18.395 -0.554 -0.841 1.00 0.49 C ATOM 1066 CG ARG A 68 19.257 -1.774 -0.512 1.00 0.59 C ATOM 1067 CD ARG A 68 19.608 -2.516 -1.803 1.00 1.04 C ATOM 1068 NE ARG A 68 20.579 -3.605 -1.502 1.00 0.85 N ATOM 1069 CZ ARG A 68 20.792 -4.548 -2.377 1.00 1.14 C ATOM 1070 NH1 ARG A 68 20.155 -4.538 -3.517 1.00 1.58 N ATOM 1071 NH2 ARG A 68 21.642 -5.503 -2.115 1.00 1.41 N ATOM 0 H ARG A 68 18.758 0.973 1.221 1.00 0.45 H new ATOM 0 HA ARG A 68 20.211 0.498 -1.339 1.00 0.48 H new ATOM 0 HB2 ARG A 68 17.591 -0.456 -0.111 1.00 0.49 H new ATOM 0 HB3 ARG A 68 17.926 -0.679 -1.817 1.00 0.49 H new ATOM 0 HG2 ARG A 68 20.168 -1.462 -0.001 1.00 0.59 H new ATOM 0 HG3 ARG A 68 18.722 -2.438 0.167 1.00 0.59 H new ATOM 0 HD2 ARG A 68 18.706 -2.932 -2.252 1.00 1.04 H new ATOM 0 HD3 ARG A 68 20.035 -1.824 -2.528 1.00 1.04 H new ATOM 0 HE ARG A 68 21.077 -3.613 -0.612 1.00 0.85 H new ATOM 0 HH11 ARG A 68 19.490 -3.792 -3.723 1.00 1.58 H new ATOM 0 HH12 ARG A 68 20.322 -5.276 -4.201 1.00 1.58 H new ATOM 0 HH21 ARG A 68 22.140 -5.512 -1.225 1.00 1.41 H new ATOM 0 HH22 ARG A 68 21.808 -6.240 -2.800 1.00 1.41 H new ATOM 1085 N CYS A 69 17.382 2.212 -1.089 1.00 0.39 N ATOM 1086 CA CYS A 69 16.620 3.303 -1.759 1.00 0.36 C ATOM 1087 C CYS A 69 16.976 4.649 -1.122 1.00 0.31 C ATOM 1088 O CYS A 69 16.235 5.607 -1.220 1.00 0.41 O ATOM 1089 CB CYS A 69 15.120 3.045 -1.602 1.00 0.44 C ATOM 1090 SG CYS A 69 14.811 1.261 -1.621 1.00 0.22 S ATOM 0 H CYS A 69 16.934 1.814 -0.264 1.00 0.39 H new ATOM 0 HA CYS A 69 16.878 3.327 -2.818 1.00 0.36 H new ATOM 0 HB2 CYS A 69 14.761 3.477 -0.668 1.00 0.44 H new ATOM 0 HB3 CYS A 69 14.570 3.529 -2.409 1.00 0.44 H new ATOM 1095 N LEU A 70 18.106 4.731 -0.473 1.00 0.33 N ATOM 1096 CA LEU A 70 18.504 6.017 0.165 1.00 0.29 C ATOM 1097 C LEU A 70 19.354 6.827 -0.817 1.00 0.47 C ATOM 1098 O LEU A 70 19.190 8.022 -0.956 1.00 0.58 O ATOM 1099 CB LEU A 70 19.322 5.732 1.430 1.00 0.24 C ATOM 1100 CG LEU A 70 18.382 5.500 2.621 1.00 0.15 C ATOM 1101 CD1 LEU A 70 19.193 5.003 3.819 1.00 0.27 C ATOM 1102 CD2 LEU A 70 17.671 6.805 3.003 1.00 0.12 C ATOM 0 H LEU A 70 18.769 3.964 -0.358 1.00 0.33 H new ATOM 0 HA LEU A 70 17.611 6.582 0.431 1.00 0.29 H new ATOM 0 HB2 LEU A 70 19.951 4.855 1.276 1.00 0.24 H new ATOM 0 HB3 LEU A 70 19.988 6.569 1.639 1.00 0.24 H new ATOM 0 HG LEU A 70 17.636 4.757 2.340 1.00 0.15 H new ATOM 0 HD11 LEU A 70 18.527 4.838 4.666 1.00 0.27 H new ATOM 0 HD12 LEU A 70 19.689 4.068 3.560 1.00 0.27 H new ATOM 0 HD13 LEU A 70 19.942 5.749 4.086 1.00 0.27 H new ATOM 0 HD21 LEU A 70 17.008 6.624 3.849 1.00 0.12 H new ATOM 0 HD22 LEU A 70 18.412 7.556 3.277 1.00 0.12 H new ATOM 0 HD23 LEU A 70 17.087 7.163 2.155 1.00 0.12 H new ATOM 1114 N GLY A 71 20.264 6.184 -1.497 1.00 0.64 N ATOM 1115 CA GLY A 71 21.123 6.917 -2.469 1.00 0.82 C ATOM 1116 C GLY A 71 22.197 7.700 -1.714 1.00 0.68 C ATOM 1117 O GLY A 71 22.408 7.499 -0.533 1.00 0.69 O ATOM 0 H GLY A 71 20.449 5.184 -1.421 1.00 0.64 H new ATOM 0 HA2 GLY A 71 21.589 6.215 -3.160 1.00 0.82 H new ATOM 0 HA3 GLY A 71 20.515 7.597 -3.067 1.00 0.82 H new ATOM 1121 N ALA A 72 22.878 8.589 -2.387 1.00 0.57 N ATOM 1122 CA ALA A 72 23.944 9.391 -1.717 1.00 0.43 C ATOM 1123 C ALA A 72 23.864 10.846 -2.185 1.00 0.39 C ATOM 1124 O ALA A 72 24.641 11.684 -1.771 1.00 0.65 O ATOM 1125 CB ALA A 72 25.316 8.815 -2.077 1.00 0.33 C ATOM 0 H ALA A 72 22.741 8.795 -3.377 1.00 0.57 H new ATOM 0 HA ALA A 72 23.802 9.350 -0.637 1.00 0.43 H new ATOM 0 HB1 ALA A 72 26.096 9.400 -1.589 1.00 0.33 H new ATOM 0 HB2 ALA A 72 25.375 7.779 -1.742 1.00 0.33 H new ATOM 0 HB3 ALA A 72 25.455 8.855 -3.157 1.00 0.33 H new ATOM 1131 N THR A 73 22.932 11.155 -3.045 1.00 0.62 N ATOM 1132 CA THR A 73 22.806 12.556 -3.535 1.00 0.56 C ATOM 1133 C THR A 73 21.985 13.374 -2.538 1.00 0.59 C ATOM 1134 O THR A 73 21.406 12.840 -1.612 1.00 0.65 O ATOM 1135 CB THR A 73 22.106 12.558 -4.897 1.00 0.67 C ATOM 1136 OG1 THR A 73 20.723 12.281 -4.716 1.00 1.83 O ATOM 1137 CG2 THR A 73 22.729 11.491 -5.797 1.00 0.80 C ATOM 0 H THR A 73 22.253 10.498 -3.429 1.00 0.62 H new ATOM 0 HA THR A 73 23.798 12.997 -3.635 1.00 0.56 H new ATOM 0 HB THR A 73 22.224 13.535 -5.365 1.00 0.67 H new ATOM 0 HG1 THR A 73 20.314 12.078 -5.583 1.00 1.83 H new ATOM 0 HG21 THR A 73 22.229 11.495 -6.766 1.00 0.80 H new ATOM 0 HG22 THR A 73 23.789 11.705 -5.935 1.00 0.80 H new ATOM 0 HG23 THR A 73 22.614 10.511 -5.333 1.00 0.80 H new ATOM 1145 N ALA A 74 21.930 14.665 -2.717 1.00 0.58 N ATOM 1146 CA ALA A 74 21.146 15.514 -1.777 1.00 0.64 C ATOM 1147 C ALA A 74 19.707 15.641 -2.282 1.00 0.74 C ATOM 1148 O ALA A 74 18.814 16.024 -1.552 1.00 1.02 O ATOM 1149 CB ALA A 74 21.781 16.904 -1.694 1.00 0.61 C ATOM 0 H ALA A 74 22.394 15.168 -3.473 1.00 0.58 H new ATOM 0 HA ALA A 74 21.145 15.055 -0.788 1.00 0.64 H new ATOM 0 HB1 ALA A 74 21.208 17.526 -1.006 1.00 0.61 H new ATOM 0 HB2 ALA A 74 22.806 16.815 -1.334 1.00 0.61 H new ATOM 0 HB3 ALA A 74 21.782 17.363 -2.683 1.00 0.61 H new ATOM 1155 N GLN A 75 19.475 15.324 -3.526 1.00 0.53 N ATOM 1156 CA GLN A 75 18.094 15.426 -4.076 1.00 0.63 C ATOM 1157 C GLN A 75 17.362 14.099 -3.868 1.00 0.61 C ATOM 1158 O GLN A 75 16.178 14.069 -3.594 1.00 0.64 O ATOM 1159 CB GLN A 75 18.162 15.743 -5.572 1.00 0.75 C ATOM 1160 CG GLN A 75 19.326 14.975 -6.202 1.00 1.02 C ATOM 1161 CD GLN A 75 20.592 15.833 -6.150 1.00 2.11 C ATOM 1162 OE1 GLN A 75 20.764 16.628 -5.248 1.00 3.36 O ATOM 1163 NE2 GLN A 75 21.492 15.703 -7.086 1.00 2.14 N ATOM 0 H GLN A 75 20.182 14.999 -4.185 1.00 0.53 H new ATOM 0 HA GLN A 75 17.556 16.222 -3.561 1.00 0.63 H new ATOM 0 HB2 GLN A 75 17.225 15.467 -6.056 1.00 0.75 H new ATOM 0 HB3 GLN A 75 18.295 16.814 -5.722 1.00 0.75 H new ATOM 0 HG2 GLN A 75 19.487 14.037 -5.670 1.00 1.02 H new ATOM 0 HG3 GLN A 75 19.090 14.719 -7.235 1.00 1.02 H new ATOM 0 HE21 GLN A 75 21.347 15.035 -7.843 1.00 2.14 H new ATOM 0 HE22 GLN A 75 22.340 16.269 -7.060 1.00 2.14 H new ATOM 1172 N GLN A 76 18.056 13.001 -3.995 1.00 0.58 N ATOM 1173 CA GLN A 76 17.397 11.678 -3.805 1.00 0.57 C ATOM 1174 C GLN A 76 17.135 11.448 -2.315 1.00 0.48 C ATOM 1175 O GLN A 76 16.221 10.741 -1.939 1.00 0.45 O ATOM 1176 CB GLN A 76 18.312 10.573 -4.339 1.00 0.60 C ATOM 1177 CG GLN A 76 17.637 9.214 -4.144 1.00 0.61 C ATOM 1178 CD GLN A 76 18.209 8.211 -5.149 1.00 0.25 C ATOM 1179 OE1 GLN A 76 18.944 7.317 -4.780 1.00 1.16 O ATOM 1180 NE2 GLN A 76 17.902 8.324 -6.412 1.00 0.98 N ATOM 0 H GLN A 76 19.050 12.963 -4.222 1.00 0.58 H new ATOM 0 HA GLN A 76 16.451 11.661 -4.347 1.00 0.57 H new ATOM 0 HB2 GLN A 76 18.522 10.739 -5.396 1.00 0.60 H new ATOM 0 HB3 GLN A 76 19.269 10.594 -3.817 1.00 0.60 H new ATOM 0 HG2 GLN A 76 17.799 8.858 -3.127 1.00 0.61 H new ATOM 0 HG3 GLN A 76 16.560 9.308 -4.281 1.00 0.61 H new ATOM 0 HE21 GLN A 76 17.285 9.075 -6.722 1.00 0.98 H new ATOM 0 HE22 GLN A 76 18.279 7.662 -7.090 1.00 0.98 H new ATOM 1189 N PHE A 77 17.929 12.038 -1.465 1.00 0.44 N ATOM 1190 CA PHE A 77 17.724 11.853 0.000 1.00 0.35 C ATOM 1191 C PHE A 77 16.329 12.347 0.386 1.00 0.31 C ATOM 1192 O PHE A 77 15.533 11.617 0.942 1.00 0.22 O ATOM 1193 CB PHE A 77 18.780 12.650 0.767 1.00 0.37 C ATOM 1194 CG PHE A 77 18.636 12.381 2.246 1.00 0.20 C ATOM 1195 CD1 PHE A 77 19.084 11.168 2.783 1.00 0.13 C ATOM 1196 CD2 PHE A 77 18.057 13.345 3.080 1.00 0.23 C ATOM 1197 CE1 PHE A 77 18.952 10.918 4.155 1.00 0.08 C ATOM 1198 CE2 PHE A 77 17.925 13.096 4.451 1.00 0.21 C ATOM 1199 CZ PHE A 77 18.373 11.883 4.989 1.00 0.15 C ATOM 0 H PHE A 77 18.711 12.640 -1.721 1.00 0.44 H new ATOM 0 HA PHE A 77 17.816 10.796 0.250 1.00 0.35 H new ATOM 0 HB2 PHE A 77 19.778 12.370 0.431 1.00 0.37 H new ATOM 0 HB3 PHE A 77 18.664 13.715 0.567 1.00 0.37 H new ATOM 0 HD1 PHE A 77 19.531 10.425 2.139 1.00 0.13 H new ATOM 0 HD2 PHE A 77 17.712 14.281 2.665 1.00 0.23 H new ATOM 0 HE1 PHE A 77 19.296 9.982 4.569 1.00 0.08 H new ATOM 0 HE2 PHE A 77 17.478 13.839 5.094 1.00 0.21 H new ATOM 0 HZ PHE A 77 18.272 11.692 6.047 1.00 0.15 H new ATOM 1209 N HIS A 78 16.027 13.584 0.096 1.00 0.45 N ATOM 1210 CA HIS A 78 14.683 14.124 0.448 1.00 0.46 C ATOM 1211 C HIS A 78 13.610 13.386 -0.356 1.00 0.44 C ATOM 1212 O HIS A 78 12.614 12.943 0.180 1.00 0.43 O ATOM 1213 CB HIS A 78 14.632 15.616 0.118 1.00 0.57 C ATOM 1214 CG HIS A 78 13.286 16.169 0.500 1.00 0.55 C ATOM 1215 ND1 HIS A 78 12.853 17.416 0.082 1.00 0.90 N ATOM 1216 CD2 HIS A 78 12.265 15.653 1.262 1.00 0.50 C ATOM 1217 CE1 HIS A 78 11.621 17.610 0.589 1.00 1.02 C ATOM 1218 NE2 HIS A 78 11.215 16.565 1.316 1.00 0.73 N ATOM 0 H HIS A 78 16.652 14.243 -0.369 1.00 0.45 H new ATOM 0 HA HIS A 78 14.501 13.981 1.513 1.00 0.46 H new ATOM 0 HB2 HIS A 78 15.420 16.145 0.654 1.00 0.57 H new ATOM 0 HB3 HIS A 78 14.812 15.770 -0.946 1.00 0.57 H new ATOM 0 HD2 HIS A 78 12.276 14.687 1.745 1.00 0.50 H new ATOM 0 HE1 HIS A 78 11.033 18.501 0.428 1.00 1.02 H new ATOM 0 HE2 HIS A 78 10.326 16.459 1.805 1.00 0.73 H new ATOM 1226 N ARG A 79 13.805 13.252 -1.639 1.00 0.45 N ATOM 1227 CA ARG A 79 12.796 12.542 -2.476 1.00 0.43 C ATOM 1228 C ARG A 79 12.492 11.176 -1.860 1.00 0.37 C ATOM 1229 O ARG A 79 11.396 10.663 -1.971 1.00 0.42 O ATOM 1230 CB ARG A 79 13.348 12.355 -3.890 1.00 0.47 C ATOM 1231 CG ARG A 79 12.202 12.431 -4.900 1.00 0.46 C ATOM 1232 CD ARG A 79 12.670 11.877 -6.247 1.00 0.37 C ATOM 1233 NE ARG A 79 12.054 12.667 -7.351 1.00 0.78 N ATOM 1234 CZ ARG A 79 12.530 12.577 -8.562 1.00 0.63 C ATOM 1235 NH1 ARG A 79 13.545 11.795 -8.808 1.00 0.28 N ATOM 1236 NH2 ARG A 79 11.990 13.269 -9.528 1.00 1.17 N ATOM 0 H ARG A 79 14.619 13.603 -2.144 1.00 0.45 H new ATOM 0 HA ARG A 79 11.880 13.131 -2.519 1.00 0.43 H new ATOM 0 HB2 ARG A 79 14.089 13.124 -4.107 1.00 0.47 H new ATOM 0 HB3 ARG A 79 13.854 11.393 -3.970 1.00 0.47 H new ATOM 0 HG2 ARG A 79 11.346 11.861 -4.538 1.00 0.46 H new ATOM 0 HG3 ARG A 79 11.872 13.464 -5.014 1.00 0.46 H new ATOM 0 HD2 ARG A 79 13.757 11.925 -6.314 1.00 0.37 H new ATOM 0 HD3 ARG A 79 12.391 10.827 -6.337 1.00 0.37 H new ATOM 0 HE ARG A 79 11.260 13.278 -7.159 1.00 0.78 H new ATOM 0 HH11 ARG A 79 13.967 11.254 -8.053 1.00 0.28 H new ATOM 0 HH12 ARG A 79 13.917 11.725 -9.755 1.00 0.28 H new ATOM 0 HH21 ARG A 79 11.196 13.880 -9.336 1.00 1.17 H new ATOM 0 HH22 ARG A 79 12.362 13.199 -10.475 1.00 1.17 H new ATOM 1250 N HIS A 80 13.456 10.579 -1.211 1.00 0.27 N ATOM 1251 CA HIS A 80 13.221 9.246 -0.590 1.00 0.21 C ATOM 1252 C HIS A 80 12.420 9.418 0.702 1.00 0.18 C ATOM 1253 O HIS A 80 11.410 8.777 0.907 1.00 0.18 O ATOM 1254 CB HIS A 80 14.566 8.587 -0.273 1.00 0.16 C ATOM 1255 CG HIS A 80 14.357 7.470 0.712 1.00 0.19 C ATOM 1256 ND1 HIS A 80 14.278 6.143 0.318 1.00 0.27 N ATOM 1257 CD2 HIS A 80 14.211 7.465 2.076 1.00 0.33 C ATOM 1258 CE1 HIS A 80 14.091 5.402 1.427 1.00 0.30 C ATOM 1259 NE2 HIS A 80 14.044 6.158 2.526 1.00 0.30 N ATOM 0 H HIS A 80 14.395 10.958 -1.085 1.00 0.27 H new ATOM 0 HA HIS A 80 12.662 8.617 -1.282 1.00 0.21 H new ATOM 0 HB2 HIS A 80 15.018 8.201 -1.187 1.00 0.16 H new ATOM 0 HB3 HIS A 80 15.256 9.324 0.138 1.00 0.16 H new ATOM 0 HD1 HIS A 80 14.349 5.792 -0.637 1.00 0.27 H new ATOM 0 HD2 HIS A 80 14.224 8.342 2.706 1.00 0.33 H new ATOM 0 HE1 HIS A 80 13.991 4.327 1.427 1.00 0.30 H new ATOM 1267 N LYS A 81 12.865 10.279 1.576 1.00 0.18 N ATOM 1268 CA LYS A 81 12.130 10.492 2.854 1.00 0.23 C ATOM 1269 C LYS A 81 10.643 10.705 2.558 1.00 0.30 C ATOM 1270 O LYS A 81 9.784 10.158 3.221 1.00 0.38 O ATOM 1271 CB LYS A 81 12.690 11.726 3.565 1.00 0.23 C ATOM 1272 CG LYS A 81 14.067 11.399 4.145 1.00 0.21 C ATOM 1273 CD LYS A 81 13.913 10.908 5.585 1.00 0.83 C ATOM 1274 CE LYS A 81 15.219 10.258 6.046 1.00 1.20 C ATOM 1275 NZ LYS A 81 15.201 10.103 7.527 1.00 1.74 N ATOM 0 H LYS A 81 13.706 10.844 1.460 1.00 0.18 H new ATOM 0 HA LYS A 81 12.252 9.618 3.493 1.00 0.23 H new ATOM 0 HB2 LYS A 81 12.767 12.558 2.866 1.00 0.23 H new ATOM 0 HB3 LYS A 81 12.014 12.039 4.360 1.00 0.23 H new ATOM 0 HG2 LYS A 81 14.556 10.635 3.540 1.00 0.21 H new ATOM 0 HG3 LYS A 81 14.704 12.283 4.118 1.00 0.21 H new ATOM 0 HD2 LYS A 81 13.659 11.742 6.239 1.00 0.83 H new ATOM 0 HD3 LYS A 81 13.095 10.191 5.650 1.00 0.83 H new ATOM 0 HE2 LYS A 81 15.342 9.285 5.569 1.00 1.20 H new ATOM 0 HE3 LYS A 81 16.069 10.870 5.744 1.00 1.20 H new ATOM 0 HZ1 LYS A 81 16.089 9.661 7.841 1.00 1.74 H new ATOM 0 HZ2 LYS A 81 15.103 11.038 7.973 1.00 1.74 H new ATOM 0 HZ3 LYS A 81 14.399 9.502 7.803 1.00 1.74 H new ATOM 1289 N GLN A 82 10.332 11.496 1.568 1.00 0.30 N ATOM 1290 CA GLN A 82 8.902 11.743 1.232 1.00 0.39 C ATOM 1291 C GLN A 82 8.201 10.409 0.969 1.00 0.40 C ATOM 1292 O GLN A 82 7.165 10.119 1.532 1.00 0.61 O ATOM 1293 CB GLN A 82 8.816 12.620 -0.019 1.00 0.43 C ATOM 1294 CG GLN A 82 7.708 13.660 0.161 1.00 0.68 C ATOM 1295 CD GLN A 82 7.339 14.253 -1.199 1.00 0.56 C ATOM 1296 OE1 GLN A 82 7.322 15.457 -1.366 1.00 0.85 O ATOM 1297 NE2 GLN A 82 7.040 13.454 -2.186 1.00 1.79 N ATOM 0 H GLN A 82 11.007 11.982 0.977 1.00 0.30 H new ATOM 0 HA GLN A 82 8.416 12.250 2.065 1.00 0.39 H new ATOM 0 HB2 GLN A 82 9.770 13.117 -0.194 1.00 0.43 H new ATOM 0 HB3 GLN A 82 8.612 12.004 -0.895 1.00 0.43 H new ATOM 0 HG2 GLN A 82 6.833 13.199 0.618 1.00 0.68 H new ATOM 0 HG3 GLN A 82 8.041 14.449 0.835 1.00 0.68 H new ATOM 0 HE21 GLN A 82 7.054 12.444 -2.046 1.00 1.79 H new ATOM 0 HE22 GLN A 82 6.792 13.840 -3.097 1.00 1.79 H new ATOM 1306 N LEU A 83 8.759 9.593 0.116 1.00 0.23 N ATOM 1307 CA LEU A 83 8.125 8.278 -0.183 1.00 0.22 C ATOM 1308 C LEU A 83 7.773 7.574 1.130 1.00 0.21 C ATOM 1309 O LEU A 83 6.628 7.263 1.391 1.00 0.27 O ATOM 1310 CB LEU A 83 9.101 7.412 -0.983 1.00 0.17 C ATOM 1311 CG LEU A 83 8.323 6.387 -1.812 1.00 0.19 C ATOM 1312 CD1 LEU A 83 9.302 5.546 -2.632 1.00 0.17 C ATOM 1313 CD2 LEU A 83 7.526 5.473 -0.879 1.00 0.18 C ATOM 0 H LEU A 83 9.627 9.781 -0.387 1.00 0.23 H new ATOM 0 HA LEU A 83 7.218 8.434 -0.766 1.00 0.22 H new ATOM 0 HB2 LEU A 83 9.706 8.039 -1.638 1.00 0.17 H new ATOM 0 HB3 LEU A 83 9.787 6.902 -0.307 1.00 0.17 H new ATOM 0 HG LEU A 83 7.639 6.908 -2.482 1.00 0.19 H new ATOM 0 HD11 LEU A 83 8.749 4.816 -3.223 1.00 0.17 H new ATOM 0 HD12 LEU A 83 9.870 6.195 -3.298 1.00 0.17 H new ATOM 0 HD13 LEU A 83 9.986 5.026 -1.961 1.00 0.17 H new ATOM 0 HD21 LEU A 83 6.972 4.743 -1.470 1.00 0.18 H new ATOM 0 HD22 LEU A 83 8.210 4.953 -0.208 1.00 0.18 H new ATOM 0 HD23 LEU A 83 6.828 6.071 -0.293 1.00 0.18 H new ATOM 1325 N ILE A 84 8.749 7.320 1.957 1.00 0.17 N ATOM 1326 CA ILE A 84 8.469 6.636 3.251 1.00 0.21 C ATOM 1327 C ILE A 84 7.285 7.316 3.942 1.00 0.29 C ATOM 1328 O ILE A 84 6.397 6.667 4.455 1.00 0.29 O ATOM 1329 CB ILE A 84 9.702 6.723 4.154 1.00 0.21 C ATOM 1330 CG1 ILE A 84 10.958 6.403 3.338 1.00 0.13 C ATOM 1331 CG2 ILE A 84 9.571 5.717 5.299 1.00 0.30 C ATOM 1332 CD1 ILE A 84 10.735 5.123 2.530 1.00 0.12 C ATOM 0 H ILE A 84 9.728 7.556 1.793 1.00 0.17 H new ATOM 0 HA ILE A 84 8.230 5.589 3.062 1.00 0.21 H new ATOM 0 HB ILE A 84 9.780 7.731 4.562 1.00 0.21 H new ATOM 0 HG12 ILE A 84 11.190 7.232 2.669 1.00 0.13 H new ATOM 0 HG13 ILE A 84 11.814 6.281 4.002 1.00 0.13 H new ATOM 0 HG21 ILE A 84 10.450 5.780 5.941 1.00 0.30 H new ATOM 0 HG22 ILE A 84 8.678 5.944 5.882 1.00 0.30 H new ATOM 0 HG23 ILE A 84 9.492 4.709 4.891 1.00 0.30 H new ATOM 0 HD11 ILE A 84 11.630 4.898 1.950 1.00 0.12 H new ATOM 0 HD12 ILE A 84 10.525 4.296 3.209 1.00 0.12 H new ATOM 0 HD13 ILE A 84 9.891 5.262 1.854 1.00 0.12 H new ATOM 1344 N ARG A 85 7.267 8.620 3.958 1.00 0.38 N ATOM 1345 CA ARG A 85 6.142 9.341 4.616 1.00 0.46 C ATOM 1346 C ARG A 85 4.826 8.972 3.927 1.00 0.40 C ATOM 1347 O ARG A 85 3.841 8.669 4.570 1.00 0.39 O ATOM 1348 CB ARG A 85 6.369 10.851 4.505 1.00 0.59 C ATOM 1349 CG ARG A 85 5.777 11.548 5.731 1.00 0.77 C ATOM 1350 CD ARG A 85 6.794 11.525 6.874 1.00 1.76 C ATOM 1351 NE ARG A 85 6.076 11.457 8.177 1.00 2.65 N ATOM 1352 CZ ARG A 85 6.724 11.131 9.262 1.00 3.77 C ATOM 1353 NH1 ARG A 85 8.001 10.865 9.205 1.00 4.34 N ATOM 1354 NH2 ARG A 85 6.096 11.071 10.404 1.00 4.59 N ATOM 0 H ARG A 85 7.983 9.217 3.544 1.00 0.38 H new ATOM 0 HA ARG A 85 6.094 9.056 5.667 1.00 0.46 H new ATOM 0 HB2 ARG A 85 7.435 11.065 4.432 1.00 0.59 H new ATOM 0 HB3 ARG A 85 5.904 11.233 3.596 1.00 0.59 H new ATOM 0 HG2 ARG A 85 5.514 12.577 5.485 1.00 0.77 H new ATOM 0 HG3 ARG A 85 4.858 11.048 6.038 1.00 0.77 H new ATOM 0 HD2 ARG A 85 7.458 10.667 6.767 1.00 1.76 H new ATOM 0 HD3 ARG A 85 7.419 12.418 6.837 1.00 1.76 H new ATOM 0 HE ARG A 85 5.078 11.665 8.221 1.00 2.65 H new ATOM 0 HH11 ARG A 85 8.492 10.912 8.312 1.00 4.34 H new ATOM 0 HH12 ARG A 85 8.507 10.610 10.053 1.00 4.34 H new ATOM 0 HH21 ARG A 85 5.098 11.279 10.449 1.00 4.59 H new ATOM 0 HH22 ARG A 85 6.603 10.816 11.252 1.00 4.59 H new ATOM 1368 N PHE A 86 4.803 8.996 2.622 1.00 0.39 N ATOM 1369 CA PHE A 86 3.551 8.647 1.893 1.00 0.37 C ATOM 1370 C PHE A 86 3.120 7.226 2.264 1.00 0.23 C ATOM 1371 O PHE A 86 1.992 6.992 2.650 1.00 0.25 O ATOM 1372 CB PHE A 86 3.799 8.726 0.385 1.00 0.43 C ATOM 1373 CG PHE A 86 3.451 10.108 -0.111 1.00 0.54 C ATOM 1374 CD1 PHE A 86 2.133 10.408 -0.477 1.00 0.41 C ATOM 1375 CD2 PHE A 86 4.444 11.090 -0.208 1.00 0.80 C ATOM 1376 CE1 PHE A 86 1.809 11.690 -0.937 1.00 0.53 C ATOM 1377 CE2 PHE A 86 4.120 12.371 -0.668 1.00 0.92 C ATOM 1378 CZ PHE A 86 2.802 12.671 -1.034 1.00 0.79 C ATOM 0 H PHE A 86 5.596 9.242 2.030 1.00 0.39 H new ATOM 0 HA PHE A 86 2.764 9.349 2.170 1.00 0.37 H new ATOM 0 HB2 PHE A 86 4.843 8.501 0.165 1.00 0.43 H new ATOM 0 HB3 PHE A 86 3.196 7.980 -0.133 1.00 0.43 H new ATOM 0 HD1 PHE A 86 1.367 9.651 -0.404 1.00 0.41 H new ATOM 0 HD2 PHE A 86 5.461 10.859 0.072 1.00 0.80 H new ATOM 0 HE1 PHE A 86 0.792 11.922 -1.217 1.00 0.53 H new ATOM 0 HE2 PHE A 86 4.886 13.128 -0.741 1.00 0.92 H new ATOM 0 HZ PHE A 86 2.552 13.659 -1.391 1.00 0.79 H new ATOM 1388 N LEU A 87 4.008 6.277 2.151 1.00 0.12 N ATOM 1389 CA LEU A 87 3.645 4.874 2.498 1.00 0.11 C ATOM 1390 C LEU A 87 3.164 4.816 3.949 1.00 0.17 C ATOM 1391 O LEU A 87 2.255 4.081 4.282 1.00 0.39 O ATOM 1392 CB LEU A 87 4.869 3.970 2.328 1.00 0.18 C ATOM 1393 CG LEU A 87 4.844 3.323 0.939 1.00 0.62 C ATOM 1394 CD1 LEU A 87 6.186 2.642 0.672 1.00 0.52 C ATOM 1395 CD2 LEU A 87 3.723 2.278 0.864 1.00 1.08 C ATOM 0 H LEU A 87 4.968 6.412 1.834 1.00 0.12 H new ATOM 0 HA LEU A 87 2.849 4.532 1.837 1.00 0.11 H new ATOM 0 HB2 LEU A 87 5.783 4.551 2.453 1.00 0.18 H new ATOM 0 HB3 LEU A 87 4.874 3.199 3.099 1.00 0.18 H new ATOM 0 HG LEU A 87 4.665 4.095 0.191 1.00 0.62 H new ATOM 0 HD11 LEU A 87 6.170 2.181 -0.316 1.00 0.52 H new ATOM 0 HD12 LEU A 87 6.985 3.383 0.714 1.00 0.52 H new ATOM 0 HD13 LEU A 87 6.362 1.876 1.427 1.00 0.52 H new ATOM 0 HD21 LEU A 87 3.714 1.824 -0.127 1.00 1.08 H new ATOM 0 HD22 LEU A 87 3.894 1.506 1.615 1.00 1.08 H new ATOM 0 HD23 LEU A 87 2.763 2.760 1.051 1.00 1.08 H new ATOM 1407 N LYS A 88 3.763 5.586 4.816 1.00 0.07 N ATOM 1408 CA LYS A 88 3.335 5.574 6.243 1.00 0.17 C ATOM 1409 C LYS A 88 1.943 6.196 6.361 1.00 0.18 C ATOM 1410 O LYS A 88 1.236 5.982 7.326 1.00 0.29 O ATOM 1411 CB LYS A 88 4.328 6.382 7.080 1.00 0.22 C ATOM 1412 CG LYS A 88 4.871 5.510 8.214 1.00 0.61 C ATOM 1413 CD LYS A 88 5.777 6.350 9.116 1.00 0.54 C ATOM 1414 CE LYS A 88 6.098 5.566 10.389 1.00 1.25 C ATOM 1415 NZ LYS A 88 7.522 5.791 10.765 1.00 1.14 N ATOM 0 H LYS A 88 4.530 6.222 4.598 1.00 0.07 H new ATOM 0 HA LYS A 88 3.306 4.547 6.606 1.00 0.17 H new ATOM 0 HB2 LYS A 88 5.148 6.732 6.453 1.00 0.22 H new ATOM 0 HB3 LYS A 88 3.839 7.266 7.489 1.00 0.22 H new ATOM 0 HG2 LYS A 88 4.047 5.095 8.794 1.00 0.61 H new ATOM 0 HG3 LYS A 88 5.428 4.668 7.804 1.00 0.61 H new ATOM 0 HD2 LYS A 88 6.698 6.603 8.590 1.00 0.54 H new ATOM 0 HD3 LYS A 88 5.286 7.290 9.369 1.00 0.54 H new ATOM 0 HE2 LYS A 88 5.442 5.884 11.200 1.00 1.25 H new ATOM 0 HE3 LYS A 88 5.916 4.503 10.230 1.00 1.25 H new ATOM 0 HZ1 LYS A 88 7.741 5.258 11.631 1.00 1.14 H new ATOM 0 HZ2 LYS A 88 8.140 5.467 9.994 1.00 1.14 H new ATOM 0 HZ3 LYS A 88 7.681 6.805 10.933 1.00 1.14 H new ATOM 1429 N ARG A 89 1.543 6.967 5.387 1.00 0.10 N ATOM 1430 CA ARG A 89 0.197 7.603 5.443 1.00 0.13 C ATOM 1431 C ARG A 89 -0.867 6.589 5.019 1.00 0.11 C ATOM 1432 O ARG A 89 -1.676 6.154 5.815 1.00 0.11 O ATOM 1433 CB ARG A 89 0.162 8.804 4.497 1.00 0.16 C ATOM 1434 CG ARG A 89 -1.118 9.607 4.736 1.00 0.23 C ATOM 1435 CD ARG A 89 -1.081 10.890 3.904 1.00 0.17 C ATOM 1436 NE ARG A 89 -2.344 11.652 4.108 1.00 1.21 N ATOM 1437 CZ ARG A 89 -2.418 12.903 3.743 1.00 1.47 C ATOM 1438 NH1 ARG A 89 -1.385 13.486 3.199 1.00 0.91 N ATOM 1439 NH2 ARG A 89 -3.525 13.571 3.922 1.00 2.43 N ATOM 0 H ARG A 89 2.091 7.184 4.554 1.00 0.10 H new ATOM 0 HA ARG A 89 -0.005 7.935 6.461 1.00 0.13 H new ATOM 0 HB2 ARG A 89 1.035 9.435 4.661 1.00 0.16 H new ATOM 0 HB3 ARG A 89 0.203 8.466 3.462 1.00 0.16 H new ATOM 0 HG2 ARG A 89 -1.989 9.011 4.465 1.00 0.23 H new ATOM 0 HG3 ARG A 89 -1.215 9.850 5.794 1.00 0.23 H new ATOM 0 HD2 ARG A 89 -0.225 11.500 4.194 1.00 0.17 H new ATOM 0 HD3 ARG A 89 -0.956 10.648 2.849 1.00 0.17 H new ATOM 0 HE ARG A 89 -3.151 11.196 4.533 1.00 1.21 H new ATOM 0 HH11 ARG A 89 -0.520 12.964 3.059 1.00 0.91 H new ATOM 0 HH12 ARG A 89 -1.443 14.464 2.914 1.00 0.91 H new ATOM 0 HH21 ARG A 89 -4.332 13.115 4.347 1.00 2.43 H new ATOM 0 HH22 ARG A 89 -3.583 14.549 3.637 1.00 2.43 H new ATOM 1453 N LEU A 90 -0.875 6.208 3.770 1.00 0.09 N ATOM 1454 CA LEU A 90 -1.889 5.224 3.298 1.00 0.07 C ATOM 1455 C LEU A 90 -1.768 3.936 4.114 1.00 0.09 C ATOM 1456 O LEU A 90 -2.695 3.154 4.199 1.00 0.15 O ATOM 1457 CB LEU A 90 -1.652 4.915 1.818 1.00 0.04 C ATOM 1458 CG LEU A 90 -0.307 4.206 1.649 1.00 0.17 C ATOM 1459 CD1 LEU A 90 -0.542 2.714 1.405 1.00 0.24 C ATOM 1460 CD2 LEU A 90 0.437 4.804 0.453 1.00 0.18 C ATOM 0 H LEU A 90 -0.223 6.536 3.057 1.00 0.09 H new ATOM 0 HA LEU A 90 -2.887 5.643 3.425 1.00 0.07 H new ATOM 0 HB2 LEU A 90 -2.456 4.287 1.434 1.00 0.04 H new ATOM 0 HB3 LEU A 90 -1.663 5.837 1.237 1.00 0.04 H new ATOM 0 HG LEU A 90 0.288 4.338 2.553 1.00 0.17 H new ATOM 0 HD11 LEU A 90 0.417 2.210 1.285 1.00 0.24 H new ATOM 0 HD12 LEU A 90 -1.073 2.286 2.255 1.00 0.24 H new ATOM 0 HD13 LEU A 90 -1.137 2.582 0.501 1.00 0.24 H new ATOM 0 HD21 LEU A 90 1.396 4.300 0.332 1.00 0.18 H new ATOM 0 HD22 LEU A 90 -0.159 4.672 -0.450 1.00 0.18 H new ATOM 0 HD23 LEU A 90 0.606 5.867 0.624 1.00 0.18 H new ATOM 1472 N ASP A 91 -0.634 3.707 4.716 1.00 0.08 N ATOM 1473 CA ASP A 91 -0.457 2.469 5.526 1.00 0.09 C ATOM 1474 C ASP A 91 -1.467 2.462 6.675 1.00 0.14 C ATOM 1475 O ASP A 91 -2.019 1.436 7.023 1.00 0.16 O ATOM 1476 CB ASP A 91 0.964 2.429 6.095 1.00 0.09 C ATOM 1477 CG ASP A 91 1.000 1.503 7.311 1.00 0.19 C ATOM 1478 OD1 ASP A 91 0.619 0.352 7.167 1.00 0.98 O ATOM 1479 OD2 ASP A 91 1.409 1.958 8.366 1.00 1.27 O ATOM 0 H ASP A 91 0.178 4.324 4.682 1.00 0.08 H new ATOM 0 HA ASP A 91 -0.620 1.596 4.894 1.00 0.09 H new ATOM 0 HB2 ASP A 91 1.662 2.077 5.335 1.00 0.09 H new ATOM 0 HB3 ASP A 91 1.282 3.432 6.379 1.00 0.09 H new ATOM 1484 N ARG A 92 -1.713 3.598 7.267 1.00 0.15 N ATOM 1485 CA ARG A 92 -2.688 3.655 8.393 1.00 0.20 C ATOM 1486 C ARG A 92 -4.104 3.807 7.836 1.00 0.16 C ATOM 1487 O ARG A 92 -5.069 3.388 8.445 1.00 0.13 O ATOM 1488 CB ARG A 92 -2.360 4.851 9.291 1.00 0.24 C ATOM 1489 CG ARG A 92 -0.965 4.673 9.892 1.00 0.22 C ATOM 1490 CD ARG A 92 -1.072 3.916 11.217 1.00 0.59 C ATOM 1491 NE ARG A 92 -1.381 4.875 12.313 1.00 1.04 N ATOM 1492 CZ ARG A 92 -1.809 4.434 13.466 1.00 1.57 C ATOM 1493 NH1 ARG A 92 -1.964 3.153 13.656 1.00 1.75 N ATOM 1494 NH2 ARG A 92 -2.079 5.275 14.426 1.00 2.32 N ATOM 0 H ARG A 92 -1.282 4.489 7.020 1.00 0.15 H new ATOM 0 HA ARG A 92 -2.625 2.736 8.975 1.00 0.20 H new ATOM 0 HB2 ARG A 92 -2.403 5.775 8.714 1.00 0.24 H new ATOM 0 HB3 ARG A 92 -3.101 4.936 10.086 1.00 0.24 H new ATOM 0 HG2 ARG A 92 -0.326 4.126 9.199 1.00 0.22 H new ATOM 0 HG3 ARG A 92 -0.500 5.646 10.053 1.00 0.22 H new ATOM 0 HD2 ARG A 92 -1.852 3.157 11.153 1.00 0.59 H new ATOM 0 HD3 ARG A 92 -0.138 3.396 11.427 1.00 0.59 H new ATOM 0 HE ARG A 92 -1.259 5.877 12.164 1.00 1.04 H new ATOM 0 HH11 ARG A 92 -1.751 2.497 12.905 1.00 1.75 H new ATOM 0 HH12 ARG A 92 -2.298 2.808 14.556 1.00 1.75 H new ATOM 0 HH21 ARG A 92 -1.956 6.276 14.276 1.00 2.32 H new ATOM 0 HH22 ARG A 92 -2.413 4.931 15.326 1.00 2.32 H new ATOM 1508 N ASN A 93 -4.238 4.404 6.683 1.00 0.16 N ATOM 1509 CA ASN A 93 -5.593 4.582 6.090 1.00 0.13 C ATOM 1510 C ASN A 93 -6.218 3.211 5.824 1.00 0.16 C ATOM 1511 O ASN A 93 -7.414 3.032 5.935 1.00 0.42 O ATOM 1512 CB ASN A 93 -5.476 5.354 4.774 1.00 0.08 C ATOM 1513 CG ASN A 93 -4.695 6.648 5.008 1.00 0.18 C ATOM 1514 OD1 ASN A 93 -4.400 7.370 4.077 1.00 0.81 O ATOM 1515 ND2 ASN A 93 -4.347 6.974 6.223 1.00 1.06 N ATOM 0 H ASN A 93 -3.468 4.776 6.127 1.00 0.16 H new ATOM 0 HA ASN A 93 -6.223 5.139 6.783 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -4.972 4.743 4.025 1.00 0.08 H new ATOM 0 HB3 ASN A 93 -6.468 5.581 4.384 1.00 0.08 H new ATOM 0 HD21 ASN A 93 -3.827 7.835 6.391 1.00 1.06 H new ATOM 0 HD22 ASN A 93 -4.595 6.367 7.005 1.00 1.06 H new ATOM 1522 N LEU A 94 -5.418 2.241 5.472 1.00 0.24 N ATOM 1523 CA LEU A 94 -5.968 0.884 5.201 1.00 0.21 C ATOM 1524 C LEU A 94 -6.391 0.232 6.520 1.00 0.21 C ATOM 1525 O LEU A 94 -7.533 -0.139 6.702 1.00 0.23 O ATOM 1526 CB LEU A 94 -4.894 0.021 4.528 1.00 0.29 C ATOM 1527 CG LEU A 94 -4.448 0.675 3.214 1.00 0.34 C ATOM 1528 CD1 LEU A 94 -3.073 0.132 2.822 1.00 0.61 C ATOM 1529 CD2 LEU A 94 -5.447 0.355 2.093 1.00 0.61 C ATOM 0 H LEU A 94 -4.408 2.331 5.361 1.00 0.24 H new ATOM 0 HA LEU A 94 -6.832 0.968 4.542 1.00 0.21 H new ATOM 0 HB2 LEU A 94 -4.039 -0.097 5.194 1.00 0.29 H new ATOM 0 HB3 LEU A 94 -5.286 -0.977 4.333 1.00 0.29 H new ATOM 0 HG LEU A 94 -4.402 1.755 3.356 1.00 0.34 H new ATOM 0 HD11 LEU A 94 -2.752 0.594 1.888 1.00 0.61 H new ATOM 0 HD12 LEU A 94 -2.353 0.363 3.607 1.00 0.61 H new ATOM 0 HD13 LEU A 94 -3.132 -0.948 2.690 1.00 0.61 H new ATOM 0 HD21 LEU A 94 -5.118 0.826 1.167 1.00 0.61 H new ATOM 0 HD22 LEU A 94 -5.502 -0.724 1.952 1.00 0.61 H new ATOM 0 HD23 LEU A 94 -6.432 0.736 2.363 1.00 0.61 H new ATOM 1541 N TRP A 95 -5.477 0.090 7.441 1.00 0.27 N ATOM 1542 CA TRP A 95 -5.828 -0.537 8.746 1.00 0.34 C ATOM 1543 C TRP A 95 -6.934 0.275 9.421 1.00 0.36 C ATOM 1544 O TRP A 95 -7.546 -0.164 10.374 1.00 0.47 O ATOM 1545 CB TRP A 95 -4.591 -0.562 9.648 1.00 0.46 C ATOM 1546 CG TRP A 95 -4.942 -1.188 10.960 1.00 0.53 C ATOM 1547 CD1 TRP A 95 -5.491 -0.535 12.009 1.00 0.76 C ATOM 1548 CD2 TRP A 95 -4.781 -2.574 11.378 1.00 0.41 C ATOM 1549 NE1 TRP A 95 -5.675 -1.431 13.047 1.00 0.79 N ATOM 1550 CE2 TRP A 95 -5.253 -2.702 12.706 1.00 0.56 C ATOM 1551 CE3 TRP A 95 -4.275 -3.722 10.742 1.00 0.26 C ATOM 1552 CZ2 TRP A 95 -5.225 -3.924 13.378 1.00 0.50 C ATOM 1553 CZ3 TRP A 95 -4.246 -4.955 11.416 1.00 0.24 C ATOM 1554 CH2 TRP A 95 -4.720 -5.054 12.732 1.00 0.29 C ATOM 0 H TRP A 95 -4.504 0.381 7.346 1.00 0.27 H new ATOM 0 HA TRP A 95 -6.177 -1.556 8.578 1.00 0.34 H new ATOM 0 HB2 TRP A 95 -3.789 -1.123 9.168 1.00 0.46 H new ATOM 0 HB3 TRP A 95 -4.221 0.451 9.804 1.00 0.46 H new ATOM 0 HD1 TRP A 95 -5.744 0.515 12.033 1.00 0.76 H new ATOM 0 HE1 TRP A 95 -6.073 -1.184 13.953 1.00 0.79 H new ATOM 0 HE3 TRP A 95 -3.906 -3.656 9.729 1.00 0.26 H new ATOM 0 HZ2 TRP A 95 -5.592 -3.996 14.391 1.00 0.50 H new ATOM 0 HZ3 TRP A 95 -3.857 -5.831 10.918 1.00 0.24 H new ATOM 0 HH2 TRP A 95 -4.694 -6.004 13.246 1.00 0.29 H new ATOM 1565 N GLY A 96 -7.197 1.458 8.935 1.00 0.29 N ATOM 1566 CA GLY A 96 -8.264 2.296 9.550 1.00 0.35 C ATOM 1567 C GLY A 96 -9.634 1.696 9.230 1.00 0.35 C ATOM 1568 O GLY A 96 -10.502 1.617 10.077 1.00 0.60 O ATOM 0 H GLY A 96 -6.719 1.880 8.139 1.00 0.29 H new ATOM 0 HA2 GLY A 96 -8.122 2.349 10.629 1.00 0.35 H new ATOM 0 HA3 GLY A 96 -8.204 3.316 9.170 1.00 0.35 H new ATOM 1572 N LEU A 97 -9.836 1.272 8.012 1.00 0.64 N ATOM 1573 CA LEU A 97 -11.153 0.677 7.642 1.00 0.73 C ATOM 1574 C LEU A 97 -11.120 -0.834 7.883 1.00 0.75 C ATOM 1575 O LEU A 97 -12.042 -1.547 7.539 1.00 0.91 O ATOM 1576 CB LEU A 97 -11.468 0.968 6.165 1.00 0.72 C ATOM 1577 CG LEU A 97 -10.297 0.547 5.257 1.00 0.65 C ATOM 1578 CD1 LEU A 97 -10.179 -0.981 5.182 1.00 0.70 C ATOM 1579 CD2 LEU A 97 -10.536 1.097 3.850 1.00 0.62 C ATOM 0 H LEU A 97 -9.149 1.311 7.259 1.00 0.64 H new ATOM 0 HA LEU A 97 -11.933 1.122 8.260 1.00 0.73 H new ATOM 0 HB2 LEU A 97 -12.371 0.434 5.870 1.00 0.72 H new ATOM 0 HB3 LEU A 97 -11.669 2.031 6.035 1.00 0.72 H new ATOM 0 HG LEU A 97 -9.373 0.947 5.675 1.00 0.65 H new ATOM 0 HD11 LEU A 97 -9.344 -1.250 4.535 1.00 0.70 H new ATOM 0 HD12 LEU A 97 -10.007 -1.382 6.181 1.00 0.70 H new ATOM 0 HD13 LEU A 97 -11.101 -1.398 4.777 1.00 0.70 H new ATOM 0 HD21 LEU A 97 -9.712 0.804 3.200 1.00 0.62 H new ATOM 0 HD22 LEU A 97 -11.469 0.695 3.456 1.00 0.62 H new ATOM 0 HD23 LEU A 97 -10.597 2.185 3.890 1.00 0.62 H new ATOM 1591 N ALA A 98 -10.065 -1.327 8.471 1.00 0.63 N ATOM 1592 CA ALA A 98 -9.974 -2.791 8.733 1.00 0.64 C ATOM 1593 C ALA A 98 -10.629 -3.110 10.078 1.00 0.69 C ATOM 1594 O ALA A 98 -11.523 -3.929 10.165 1.00 0.96 O ATOM 1595 CB ALA A 98 -8.503 -3.212 8.770 1.00 0.57 C ATOM 0 H ALA A 98 -9.262 -0.780 8.781 1.00 0.63 H new ATOM 0 HA ALA A 98 -10.488 -3.335 7.940 1.00 0.64 H new ATOM 0 HB1 ALA A 98 -8.436 -4.283 8.962 1.00 0.57 H new ATOM 0 HB2 ALA A 98 -8.035 -2.985 7.812 1.00 0.57 H new ATOM 0 HB3 ALA A 98 -7.989 -2.669 9.563 1.00 0.57 H new ATOM 1601 N GLY A 99 -10.193 -2.472 11.129 1.00 0.55 N ATOM 1602 CA GLY A 99 -10.792 -2.740 12.466 1.00 0.67 C ATOM 1603 C GLY A 99 -10.687 -4.233 12.783 1.00 0.73 C ATOM 1604 O GLY A 99 -11.674 -4.891 13.047 1.00 1.13 O ATOM 0 H GLY A 99 -9.447 -1.776 11.119 1.00 0.55 H new ATOM 0 HA2 GLY A 99 -10.277 -2.158 13.230 1.00 0.67 H new ATOM 0 HA3 GLY A 99 -11.836 -2.428 12.478 1.00 0.67 H new ATOM 1608 N LEU A 100 -9.497 -4.772 12.757 1.00 0.57 N ATOM 1609 CA LEU A 100 -9.320 -6.222 13.055 1.00 0.59 C ATOM 1610 C LEU A 100 -8.037 -6.421 13.864 1.00 0.50 C ATOM 1611 O LEU A 100 -6.970 -6.619 13.316 1.00 1.22 O ATOM 1612 CB LEU A 100 -9.221 -7.004 11.743 1.00 0.79 C ATOM 1613 CG LEU A 100 -10.616 -7.459 11.310 1.00 0.94 C ATOM 1614 CD1 LEU A 100 -10.641 -7.661 9.795 1.00 1.24 C ATOM 1615 CD2 LEU A 100 -10.959 -8.780 12.005 1.00 1.04 C ATOM 0 H LEU A 100 -8.637 -4.268 12.541 1.00 0.57 H new ATOM 0 HA LEU A 100 -10.173 -6.583 13.629 1.00 0.59 H new ATOM 0 HB2 LEU A 100 -8.774 -6.380 10.969 1.00 0.79 H new ATOM 0 HB3 LEU A 100 -8.569 -7.868 11.871 1.00 0.79 H new ATOM 0 HG LEU A 100 -11.347 -6.700 11.587 1.00 0.94 H new ATOM 0 HD11 LEU A 100 -11.635 -7.985 9.488 1.00 1.24 H new ATOM 0 HD12 LEU A 100 -10.396 -6.722 9.299 1.00 1.24 H new ATOM 0 HD13 LEU A 100 -9.910 -8.420 9.517 1.00 1.24 H new ATOM 0 HD21 LEU A 100 -11.953 -9.106 11.698 1.00 1.04 H new ATOM 0 HD22 LEU A 100 -10.227 -9.538 11.727 1.00 1.04 H new ATOM 0 HD23 LEU A 100 -10.942 -8.638 13.086 1.00 1.04 H new ATOM 1627 N ASN A 101 -8.131 -6.371 15.165 1.00 0.38 N ATOM 1628 CA ASN A 101 -6.917 -6.557 16.008 1.00 0.31 C ATOM 1629 C ASN A 101 -6.252 -7.890 15.662 1.00 0.15 C ATOM 1630 O ASN A 101 -5.043 -7.993 15.597 1.00 0.52 O ATOM 1631 CB ASN A 101 -7.317 -6.554 17.485 1.00 0.77 C ATOM 1632 CG ASN A 101 -6.532 -5.469 18.225 1.00 1.44 C ATOM 1633 OD1 ASN A 101 -5.317 -5.463 18.207 1.00 2.51 O ATOM 1634 ND2 ASN A 101 -7.180 -4.545 18.880 1.00 1.46 N ATOM 0 H ASN A 101 -8.996 -6.209 15.680 1.00 0.38 H new ATOM 0 HA ASN A 101 -6.216 -5.744 15.819 1.00 0.31 H new ATOM 0 HB2 ASN A 101 -8.388 -6.373 17.582 1.00 0.77 H new ATOM 0 HB3 ASN A 101 -7.117 -7.529 17.929 1.00 0.77 H new ATOM 0 HD21 ASN A 101 -6.667 -3.817 19.377 1.00 1.46 H new ATOM 0 HD22 ASN A 101 -8.200 -4.550 18.895 1.00 1.46 H new ATOM 1641 N SER A 102 -7.031 -8.913 15.440 1.00 0.45 N ATOM 1642 CA SER A 102 -6.442 -10.239 15.100 1.00 0.70 C ATOM 1643 C SER A 102 -6.235 -10.334 13.586 1.00 0.50 C ATOM 1644 O SER A 102 -7.178 -10.357 12.821 1.00 0.48 O ATOM 1645 CB SER A 102 -7.389 -11.349 15.555 1.00 1.18 C ATOM 1646 OG SER A 102 -7.940 -11.006 16.819 1.00 1.86 O ATOM 0 H SER A 102 -8.050 -8.888 15.479 1.00 0.45 H new ATOM 0 HA SER A 102 -5.482 -10.350 15.605 1.00 0.70 H new ATOM 0 HB2 SER A 102 -8.185 -11.486 14.823 1.00 1.18 H new ATOM 0 HB3 SER A 102 -6.852 -12.295 15.624 1.00 1.18 H new ATOM 0 HG SER A 102 -8.549 -11.715 17.113 1.00 1.86 H new ATOM 1652 N CYS A 103 -5.006 -10.391 13.150 1.00 0.43 N ATOM 1653 CA CYS A 103 -4.739 -10.486 11.687 1.00 0.32 C ATOM 1654 C CYS A 103 -3.282 -10.910 11.455 1.00 0.42 C ATOM 1655 O CYS A 103 -2.490 -10.129 10.969 1.00 0.56 O ATOM 1656 CB CYS A 103 -4.973 -9.119 11.043 1.00 0.34 C ATOM 1657 SG CYS A 103 -5.051 -9.304 9.244 1.00 0.38 S ATOM 0 H CYS A 103 -4.176 -10.376 13.743 1.00 0.43 H new ATOM 0 HA CYS A 103 -5.407 -11.224 11.244 1.00 0.32 H new ATOM 0 HB2 CYS A 103 -5.901 -8.684 11.415 1.00 0.34 H new ATOM 0 HB3 CYS A 103 -4.169 -8.435 11.314 1.00 0.34 H new ATOM 1662 N PRO A 104 -2.965 -12.134 11.811 1.00 0.38 N ATOM 1663 CA PRO A 104 -1.599 -12.662 11.646 1.00 0.52 C ATOM 1664 C PRO A 104 -1.226 -12.714 10.161 1.00 0.63 C ATOM 1665 O PRO A 104 -2.070 -12.600 9.295 1.00 0.86 O ATOM 1666 CB PRO A 104 -1.646 -14.076 12.240 1.00 0.43 C ATOM 1667 CG PRO A 104 -3.093 -14.334 12.728 1.00 0.28 C ATOM 1668 CD PRO A 104 -3.928 -13.085 12.404 1.00 0.28 C ATOM 0 HA PRO A 104 -0.853 -12.038 12.137 1.00 0.52 H new ATOM 0 HB2 PRO A 104 -1.357 -14.815 11.492 1.00 0.43 H new ATOM 0 HB3 PRO A 104 -0.942 -14.167 13.067 1.00 0.43 H new ATOM 0 HG2 PRO A 104 -3.511 -15.212 12.235 1.00 0.28 H new ATOM 0 HG3 PRO A 104 -3.105 -14.534 13.799 1.00 0.28 H new ATOM 0 HD2 PRO A 104 -4.735 -13.317 11.709 1.00 0.28 H new ATOM 0 HD3 PRO A 104 -4.390 -12.673 13.302 1.00 0.28 H new ATOM 1676 N VAL A 105 0.033 -12.887 9.864 1.00 0.63 N ATOM 1677 CA VAL A 105 0.462 -12.947 8.437 1.00 0.78 C ATOM 1678 C VAL A 105 0.500 -14.409 7.981 1.00 0.58 C ATOM 1679 O VAL A 105 0.305 -15.317 8.765 1.00 0.71 O ATOM 1680 CB VAL A 105 1.858 -12.331 8.303 1.00 1.05 C ATOM 1681 CG1 VAL A 105 2.858 -13.149 9.119 1.00 1.10 C ATOM 1682 CG2 VAL A 105 2.285 -12.331 6.832 1.00 1.27 C ATOM 0 H VAL A 105 0.783 -12.989 10.547 1.00 0.63 H new ATOM 0 HA VAL A 105 -0.242 -12.392 7.817 1.00 0.78 H new ATOM 0 HB VAL A 105 1.834 -11.306 8.673 1.00 1.05 H new ATOM 0 HG11 VAL A 105 3.851 -12.710 9.023 1.00 1.10 H new ATOM 0 HG12 VAL A 105 2.560 -13.147 10.167 1.00 1.10 H new ATOM 0 HG13 VAL A 105 2.877 -14.174 8.749 1.00 1.10 H new ATOM 0 HG21 VAL A 105 3.279 -11.892 6.742 1.00 1.27 H new ATOM 0 HG22 VAL A 105 2.305 -13.355 6.459 1.00 1.27 H new ATOM 0 HG23 VAL A 105 1.575 -11.746 6.247 1.00 1.27 H new ATOM 1692 N LYS A 106 0.748 -14.640 6.719 1.00 0.95 N ATOM 1693 CA LYS A 106 0.798 -16.041 6.209 1.00 0.77 C ATOM 1694 C LYS A 106 1.923 -16.147 5.161 1.00 0.69 C ATOM 1695 O LYS A 106 3.031 -15.710 5.398 1.00 0.73 O ATOM 1696 CB LYS A 106 -0.576 -16.390 5.606 1.00 0.91 C ATOM 1697 CG LYS A 106 -0.926 -17.857 5.890 1.00 0.63 C ATOM 1698 CD LYS A 106 0.075 -18.786 5.199 1.00 1.99 C ATOM 1699 CE LYS A 106 -0.264 -20.240 5.536 1.00 1.95 C ATOM 1700 NZ LYS A 106 0.912 -20.887 6.184 1.00 3.54 N ATOM 0 H LYS A 106 0.918 -13.918 6.019 1.00 0.95 H new ATOM 0 HA LYS A 106 1.013 -16.748 7.010 1.00 0.77 H new ATOM 0 HB2 LYS A 106 -1.342 -15.738 6.027 1.00 0.91 H new ATOM 0 HB3 LYS A 106 -0.564 -16.214 4.530 1.00 0.91 H new ATOM 0 HG2 LYS A 106 -0.918 -18.038 6.965 1.00 0.63 H new ATOM 0 HG3 LYS A 106 -1.935 -18.072 5.538 1.00 0.63 H new ATOM 0 HD2 LYS A 106 0.044 -18.634 4.120 1.00 1.99 H new ATOM 0 HD3 LYS A 106 1.089 -18.553 5.524 1.00 1.99 H new ATOM 0 HE2 LYS A 106 -1.126 -20.279 6.202 1.00 1.95 H new ATOM 0 HE3 LYS A 106 -0.536 -20.781 4.630 1.00 1.95 H new ATOM 0 HZ1 LYS A 106 0.682 -21.875 6.413 1.00 3.54 H new ATOM 0 HZ2 LYS A 106 1.724 -20.862 5.534 1.00 3.54 H new ATOM 0 HZ3 LYS A 106 1.152 -20.376 7.057 1.00 3.54 H new ATOM 1714 N GLU A 107 1.665 -16.717 4.012 1.00 0.60 N ATOM 1715 CA GLU A 107 2.738 -16.832 2.985 1.00 0.56 C ATOM 1716 C GLU A 107 2.114 -16.787 1.588 1.00 0.12 C ATOM 1717 O GLU A 107 0.909 -16.781 1.436 1.00 0.16 O ATOM 1718 CB GLU A 107 3.482 -18.156 3.168 1.00 0.83 C ATOM 1719 CG GLU A 107 4.149 -18.180 4.545 1.00 1.12 C ATOM 1720 CD GLU A 107 5.135 -19.348 4.615 1.00 1.18 C ATOM 1721 OE1 GLU A 107 5.924 -19.487 3.694 1.00 1.47 O ATOM 1722 OE2 GLU A 107 5.084 -20.083 5.587 1.00 1.81 O ATOM 0 H GLU A 107 0.761 -17.106 3.743 1.00 0.60 H new ATOM 0 HA GLU A 107 3.438 -16.004 3.098 1.00 0.56 H new ATOM 0 HB2 GLU A 107 2.788 -18.991 3.074 1.00 0.83 H new ATOM 0 HB3 GLU A 107 4.232 -18.275 2.386 1.00 0.83 H new ATOM 0 HG2 GLU A 107 4.670 -17.239 4.725 1.00 1.12 H new ATOM 0 HG3 GLU A 107 3.394 -18.280 5.325 1.00 1.12 H new ATOM 1729 N ALA A 108 2.927 -16.756 0.567 1.00 0.15 N ATOM 1730 CA ALA A 108 2.381 -16.711 -0.819 1.00 0.51 C ATOM 1731 C ALA A 108 3.516 -16.434 -1.805 1.00 0.40 C ATOM 1732 O ALA A 108 4.674 -16.390 -1.438 1.00 0.43 O ATOM 1733 CB ALA A 108 1.334 -15.599 -0.919 1.00 1.02 C ATOM 0 H ALA A 108 3.945 -16.760 0.633 1.00 0.15 H new ATOM 0 HA ALA A 108 1.918 -17.668 -1.059 1.00 0.51 H new ATOM 0 HB1 ALA A 108 0.934 -15.566 -1.933 1.00 1.02 H new ATOM 0 HB2 ALA A 108 0.525 -15.797 -0.216 1.00 1.02 H new ATOM 0 HB3 ALA A 108 1.796 -14.641 -0.680 1.00 1.02 H new ATOM 1739 N ASP A 109 3.196 -16.244 -3.056 1.00 0.60 N ATOM 1740 CA ASP A 109 4.258 -15.969 -4.064 1.00 0.61 C ATOM 1741 C ASP A 109 4.889 -14.605 -3.781 1.00 0.65 C ATOM 1742 O ASP A 109 4.980 -14.176 -2.648 1.00 0.99 O ATOM 1743 CB ASP A 109 3.643 -15.967 -5.465 1.00 0.69 C ATOM 1744 CG ASP A 109 2.941 -17.302 -5.718 1.00 0.75 C ATOM 1745 OD1 ASP A 109 2.920 -18.119 -4.812 1.00 0.45 O ATOM 1746 OD2 ASP A 109 2.436 -17.485 -6.814 1.00 1.41 O ATOM 0 H ASP A 109 2.245 -16.267 -3.423 1.00 0.60 H new ATOM 0 HA ASP A 109 5.024 -16.742 -4.005 1.00 0.61 H new ATOM 0 HB2 ASP A 109 2.932 -15.147 -5.560 1.00 0.69 H new ATOM 0 HB3 ASP A 109 4.419 -15.805 -6.214 1.00 0.69 H new ATOM 1751 N GLN A 110 5.325 -13.919 -4.802 1.00 0.36 N ATOM 1752 CA GLN A 110 5.950 -12.583 -4.590 1.00 0.40 C ATOM 1753 C GLN A 110 5.647 -11.681 -5.789 1.00 0.25 C ATOM 1754 O GLN A 110 5.322 -12.149 -6.862 1.00 0.27 O ATOM 1755 CB GLN A 110 7.464 -12.745 -4.444 1.00 0.49 C ATOM 1756 CG GLN A 110 8.103 -12.845 -5.830 1.00 1.65 C ATOM 1757 CD GLN A 110 9.476 -13.511 -5.714 1.00 1.65 C ATOM 1758 OE1 GLN A 110 9.830 -14.344 -6.524 1.00 2.69 O ATOM 1759 NE2 GLN A 110 10.268 -13.178 -4.733 1.00 0.68 N ATOM 0 H GLN A 110 5.275 -14.226 -5.773 1.00 0.36 H new ATOM 0 HA GLN A 110 5.544 -12.132 -3.684 1.00 0.40 H new ATOM 0 HB2 GLN A 110 7.880 -11.897 -3.900 1.00 0.49 H new ATOM 0 HB3 GLN A 110 7.690 -13.639 -3.862 1.00 0.49 H new ATOM 0 HG2 GLN A 110 7.462 -13.423 -6.496 1.00 1.65 H new ATOM 0 HG3 GLN A 110 8.205 -11.852 -6.267 1.00 1.65 H new ATOM 0 HE21 GLN A 110 9.971 -12.478 -4.053 1.00 0.68 H new ATOM 0 HE22 GLN A 110 11.185 -13.617 -4.646 1.00 0.68 H new ATOM 1768 N SER A 111 5.749 -10.392 -5.615 1.00 0.33 N ATOM 1769 CA SER A 111 5.466 -9.463 -6.745 1.00 0.25 C ATOM 1770 C SER A 111 6.354 -8.224 -6.621 1.00 0.18 C ATOM 1771 O SER A 111 7.019 -8.022 -5.624 1.00 0.25 O ATOM 1772 CB SER A 111 3.997 -9.043 -6.704 1.00 0.45 C ATOM 1773 OG SER A 111 3.614 -8.803 -5.356 1.00 0.56 O ATOM 0 H SER A 111 6.016 -9.942 -4.739 1.00 0.33 H new ATOM 0 HA SER A 111 5.674 -9.966 -7.689 1.00 0.25 H new ATOM 0 HB2 SER A 111 3.847 -8.144 -7.302 1.00 0.45 H new ATOM 0 HB3 SER A 111 3.372 -9.823 -7.138 1.00 0.45 H new ATOM 0 HG SER A 111 2.673 -8.532 -5.327 1.00 0.56 H new ATOM 1779 N THR A 112 6.372 -7.391 -7.627 1.00 0.18 N ATOM 1780 CA THR A 112 7.217 -6.166 -7.565 1.00 0.12 C ATOM 1781 C THR A 112 6.388 -5.000 -7.023 1.00 0.11 C ATOM 1782 O THR A 112 5.214 -4.877 -7.307 1.00 0.12 O ATOM 1783 CB THR A 112 7.723 -5.824 -8.969 1.00 0.09 C ATOM 1784 OG1 THR A 112 6.668 -5.996 -9.904 1.00 0.07 O ATOM 1785 CG2 THR A 112 8.886 -6.748 -9.334 1.00 0.13 C ATOM 0 H THR A 112 5.838 -7.507 -8.488 1.00 0.18 H new ATOM 0 HA THR A 112 8.067 -6.344 -6.906 1.00 0.12 H new ATOM 0 HB THR A 112 8.064 -4.789 -8.991 1.00 0.09 H new ATOM 0 HG1 THR A 112 6.989 -5.776 -10.803 1.00 0.07 H new ATOM 0 HG21 THR A 112 9.245 -6.503 -10.334 1.00 0.13 H new ATOM 0 HG22 THR A 112 9.695 -6.616 -8.615 1.00 0.13 H new ATOM 0 HG23 THR A 112 8.548 -7.784 -9.313 1.00 0.13 H new ATOM 1793 N LEU A 113 6.990 -4.143 -6.245 1.00 0.09 N ATOM 1794 CA LEU A 113 6.235 -2.986 -5.686 1.00 0.09 C ATOM 1795 C LEU A 113 5.441 -2.310 -6.806 1.00 0.12 C ATOM 1796 O LEU A 113 4.402 -1.724 -6.578 1.00 0.13 O ATOM 1797 CB LEU A 113 7.220 -1.982 -5.079 1.00 0.06 C ATOM 1798 CG LEU A 113 6.453 -0.862 -4.363 1.00 0.05 C ATOM 1799 CD1 LEU A 113 5.682 -1.430 -3.165 1.00 0.10 C ATOM 1800 CD2 LEU A 113 7.444 0.193 -3.869 1.00 0.06 C ATOM 0 H LEU A 113 7.972 -4.194 -5.972 1.00 0.09 H new ATOM 0 HA LEU A 113 5.550 -3.335 -4.914 1.00 0.09 H new ATOM 0 HB2 LEU A 113 7.881 -2.488 -4.376 1.00 0.06 H new ATOM 0 HB3 LEU A 113 7.850 -1.560 -5.862 1.00 0.06 H new ATOM 0 HG LEU A 113 5.747 -0.413 -5.061 1.00 0.05 H new ATOM 0 HD11 LEU A 113 5.142 -0.626 -2.665 1.00 0.10 H new ATOM 0 HD12 LEU A 113 4.973 -2.182 -3.512 1.00 0.10 H new ATOM 0 HD13 LEU A 113 6.382 -1.886 -2.465 1.00 0.10 H new ATOM 0 HD21 LEU A 113 6.903 0.990 -3.360 1.00 0.06 H new ATOM 0 HD22 LEU A 113 8.149 -0.266 -3.177 1.00 0.06 H new ATOM 0 HD23 LEU A 113 7.987 0.608 -4.718 1.00 0.06 H new ATOM 1812 N GLU A 114 5.922 -2.388 -8.017 1.00 0.15 N ATOM 1813 CA GLU A 114 5.194 -1.751 -9.151 1.00 0.18 C ATOM 1814 C GLU A 114 3.895 -2.516 -9.416 1.00 0.23 C ATOM 1815 O GLU A 114 2.813 -2.034 -9.142 1.00 0.22 O ATOM 1816 CB GLU A 114 6.071 -1.786 -10.404 1.00 0.23 C ATOM 1817 CG GLU A 114 5.482 -0.855 -11.466 1.00 0.19 C ATOM 1818 CD GLU A 114 6.407 -0.817 -12.684 1.00 0.41 C ATOM 1819 OE1 GLU A 114 7.369 -1.568 -12.694 1.00 1.28 O ATOM 1820 OE2 GLU A 114 6.138 -0.040 -13.583 1.00 0.87 O ATOM 0 H GLU A 114 6.787 -2.865 -8.270 1.00 0.15 H new ATOM 0 HA GLU A 114 4.962 -0.716 -8.899 1.00 0.18 H new ATOM 0 HB2 GLU A 114 7.087 -1.478 -10.158 1.00 0.23 H new ATOM 0 HB3 GLU A 114 6.131 -2.803 -10.790 1.00 0.23 H new ATOM 0 HG2 GLU A 114 4.491 -1.202 -11.760 1.00 0.19 H new ATOM 0 HG3 GLU A 114 5.360 0.148 -11.058 1.00 0.19 H new ATOM 1827 N ASN A 115 3.993 -3.704 -9.945 1.00 0.31 N ATOM 1828 CA ASN A 115 2.763 -4.497 -10.224 1.00 0.37 C ATOM 1829 C ASN A 115 1.912 -4.583 -8.955 1.00 0.37 C ATOM 1830 O ASN A 115 0.719 -4.358 -8.981 1.00 0.43 O ATOM 1831 CB ASN A 115 3.157 -5.907 -10.670 1.00 0.41 C ATOM 1832 CG ASN A 115 3.729 -5.854 -12.088 1.00 0.50 C ATOM 1833 OD1 ASN A 115 4.907 -5.622 -12.271 1.00 0.82 O ATOM 1834 ND2 ASN A 115 2.938 -6.061 -13.106 1.00 1.75 N ATOM 0 H ASN A 115 4.870 -4.160 -10.196 1.00 0.31 H new ATOM 0 HA ASN A 115 2.189 -4.012 -11.014 1.00 0.37 H new ATOM 0 HB2 ASN A 115 3.895 -6.324 -9.984 1.00 0.41 H new ATOM 0 HB3 ASN A 115 2.288 -6.565 -10.641 1.00 0.41 H new ATOM 0 HD21 ASN A 115 3.309 -6.028 -14.055 1.00 1.75 H new ATOM 0 HD22 ASN A 115 1.949 -6.256 -12.952 1.00 1.75 H new ATOM 1841 N PHE A 116 2.518 -4.904 -7.845 1.00 0.33 N ATOM 1842 CA PHE A 116 1.743 -5.002 -6.576 1.00 0.32 C ATOM 1843 C PHE A 116 0.853 -3.767 -6.426 1.00 0.33 C ATOM 1844 O PHE A 116 -0.352 -3.868 -6.316 1.00 0.23 O ATOM 1845 CB PHE A 116 2.712 -5.081 -5.393 1.00 0.27 C ATOM 1846 CG PHE A 116 1.929 -5.125 -4.103 1.00 0.30 C ATOM 1847 CD1 PHE A 116 1.428 -3.942 -3.547 1.00 0.32 C ATOM 1848 CD2 PHE A 116 1.705 -6.349 -3.462 1.00 0.37 C ATOM 1849 CE1 PHE A 116 0.703 -3.983 -2.351 1.00 0.35 C ATOM 1850 CE2 PHE A 116 0.980 -6.390 -2.265 1.00 0.42 C ATOM 1851 CZ PHE A 116 0.478 -5.207 -1.710 1.00 0.39 C ATOM 0 H PHE A 116 3.515 -5.102 -7.762 1.00 0.33 H new ATOM 0 HA PHE A 116 1.121 -5.897 -6.597 1.00 0.32 H new ATOM 0 HB2 PHE A 116 3.338 -5.969 -5.481 1.00 0.27 H new ATOM 0 HB3 PHE A 116 3.379 -4.219 -5.397 1.00 0.27 H new ATOM 0 HD1 PHE A 116 1.601 -2.997 -4.041 1.00 0.32 H new ATOM 0 HD2 PHE A 116 2.091 -7.262 -3.891 1.00 0.37 H new ATOM 0 HE1 PHE A 116 0.317 -3.070 -1.922 1.00 0.35 H new ATOM 0 HE2 PHE A 116 0.808 -7.334 -1.770 1.00 0.42 H new ATOM 0 HZ PHE A 116 -0.083 -5.239 -0.788 1.00 0.39 H new ATOM 1861 N LEU A 117 1.438 -2.600 -6.424 1.00 0.48 N ATOM 1862 CA LEU A 117 0.625 -1.360 -6.282 1.00 0.50 C ATOM 1863 C LEU A 117 -0.302 -1.221 -7.492 1.00 0.44 C ATOM 1864 O LEU A 117 -1.306 -0.538 -7.440 1.00 0.41 O ATOM 1865 CB LEU A 117 1.557 -0.145 -6.212 1.00 0.61 C ATOM 1866 CG LEU A 117 2.309 -0.140 -4.875 1.00 0.73 C ATOM 1867 CD1 LEU A 117 3.352 0.979 -4.884 1.00 0.63 C ATOM 1868 CD2 LEU A 117 1.331 0.091 -3.715 1.00 1.39 C ATOM 0 H LEU A 117 2.443 -2.452 -6.515 1.00 0.48 H new ATOM 0 HA LEU A 117 0.030 -1.415 -5.370 1.00 0.50 H new ATOM 0 HB2 LEU A 117 2.267 -0.172 -7.038 1.00 0.61 H new ATOM 0 HB3 LEU A 117 0.980 0.774 -6.318 1.00 0.61 H new ATOM 0 HG LEU A 117 2.798 -1.105 -4.741 1.00 0.73 H new ATOM 0 HD11 LEU A 117 3.888 0.985 -3.935 1.00 0.63 H new ATOM 0 HD12 LEU A 117 4.058 0.812 -5.698 1.00 0.63 H new ATOM 0 HD13 LEU A 117 2.855 1.939 -5.026 1.00 0.63 H new ATOM 0 HD21 LEU A 117 1.878 0.092 -2.772 1.00 1.39 H new ATOM 0 HD22 LEU A 117 0.832 1.051 -3.846 1.00 1.39 H new ATOM 0 HD23 LEU A 117 0.587 -0.706 -3.702 1.00 1.39 H new ATOM 1880 N GLU A 118 0.025 -1.863 -8.579 1.00 0.44 N ATOM 1881 CA GLU A 118 -0.837 -1.766 -9.790 1.00 0.41 C ATOM 1882 C GLU A 118 -2.113 -2.582 -9.571 1.00 0.33 C ATOM 1883 O GLU A 118 -3.196 -2.042 -9.463 1.00 0.38 O ATOM 1884 CB GLU A 118 -0.082 -2.316 -11.001 1.00 0.44 C ATOM 1885 CG GLU A 118 -0.730 -1.798 -12.286 1.00 0.50 C ATOM 1886 CD GLU A 118 0.046 -2.321 -13.496 1.00 0.90 C ATOM 1887 OE1 GLU A 118 0.959 -3.105 -13.297 1.00 1.90 O ATOM 1888 OE2 GLU A 118 -0.286 -1.929 -14.603 1.00 1.02 O ATOM 0 H GLU A 118 0.852 -2.451 -8.681 1.00 0.44 H new ATOM 0 HA GLU A 118 -1.097 -0.723 -9.969 1.00 0.41 H new ATOM 0 HB2 GLU A 118 0.964 -2.011 -10.960 1.00 0.44 H new ATOM 0 HB3 GLU A 118 -0.097 -3.406 -10.988 1.00 0.44 H new ATOM 0 HG2 GLU A 118 -1.769 -2.123 -12.339 1.00 0.50 H new ATOM 0 HG3 GLU A 118 -0.737 -0.708 -12.289 1.00 0.50 H new ATOM 1895 N ARG A 119 -1.995 -3.880 -9.506 1.00 0.20 N ATOM 1896 CA ARG A 119 -3.201 -4.729 -9.294 1.00 0.17 C ATOM 1897 C ARG A 119 -3.970 -4.226 -8.071 1.00 0.14 C ATOM 1898 O ARG A 119 -5.185 -4.224 -8.047 1.00 0.19 O ATOM 1899 CB ARG A 119 -2.771 -6.179 -9.066 1.00 0.16 C ATOM 1900 CG ARG A 119 -1.854 -6.254 -7.843 1.00 0.15 C ATOM 1901 CD ARG A 119 -1.118 -7.594 -7.836 1.00 0.22 C ATOM 1902 NE ARG A 119 -1.857 -8.572 -8.685 1.00 0.56 N ATOM 1903 CZ ARG A 119 -1.274 -9.674 -9.068 1.00 0.66 C ATOM 1904 NH1 ARG A 119 -0.045 -9.921 -8.709 1.00 0.51 N ATOM 1905 NH2 ARG A 119 -1.922 -10.530 -9.811 1.00 0.97 N ATOM 0 H ARG A 119 -1.115 -4.389 -9.591 1.00 0.20 H new ATOM 0 HA ARG A 119 -3.842 -4.675 -10.174 1.00 0.17 H new ATOM 0 HB2 ARG A 119 -3.647 -6.810 -8.916 1.00 0.16 H new ATOM 0 HB3 ARG A 119 -2.252 -6.558 -9.946 1.00 0.16 H new ATOM 0 HG2 ARG A 119 -1.137 -5.434 -7.863 1.00 0.15 H new ATOM 0 HG3 ARG A 119 -2.439 -6.144 -6.930 1.00 0.15 H new ATOM 0 HD2 ARG A 119 -0.103 -7.465 -8.211 1.00 0.22 H new ATOM 0 HD3 ARG A 119 -1.036 -7.971 -6.816 1.00 0.22 H new ATOM 0 HE ARG A 119 -2.818 -8.379 -8.966 1.00 0.56 H new ATOM 0 HH11 ARG A 119 0.461 -9.252 -8.128 1.00 0.51 H new ATOM 0 HH12 ARG A 119 0.410 -10.783 -9.009 1.00 0.51 H new ATOM 0 HH21 ARG A 119 -2.883 -10.337 -10.091 1.00 0.97 H new ATOM 0 HH22 ARG A 119 -1.467 -11.392 -10.111 1.00 0.97 H new ATOM 1919 N LEU A 120 -3.271 -3.798 -7.056 1.00 0.18 N ATOM 1920 CA LEU A 120 -3.962 -3.295 -5.835 1.00 0.23 C ATOM 1921 C LEU A 120 -4.764 -2.040 -6.191 1.00 0.24 C ATOM 1922 O LEU A 120 -5.966 -1.992 -6.025 1.00 0.20 O ATOM 1923 CB LEU A 120 -2.919 -2.952 -4.766 1.00 0.36 C ATOM 1924 CG LEU A 120 -3.574 -2.931 -3.380 1.00 0.42 C ATOM 1925 CD1 LEU A 120 -2.502 -2.697 -2.315 1.00 0.56 C ATOM 1926 CD2 LEU A 120 -4.613 -1.807 -3.307 1.00 0.39 C ATOM 0 H LEU A 120 -2.252 -3.775 -7.019 1.00 0.18 H new ATOM 0 HA LEU A 120 -4.635 -4.061 -5.451 1.00 0.23 H new ATOM 0 HB2 LEU A 120 -2.113 -3.685 -4.785 1.00 0.36 H new ATOM 0 HB3 LEU A 120 -2.472 -1.981 -4.981 1.00 0.36 H new ATOM 0 HG LEU A 120 -4.067 -3.887 -3.205 1.00 0.42 H new ATOM 0 HD11 LEU A 120 -2.966 -2.682 -1.329 1.00 0.56 H new ATOM 0 HD12 LEU A 120 -1.766 -3.500 -2.357 1.00 0.56 H new ATOM 0 HD13 LEU A 120 -2.009 -1.742 -2.499 1.00 0.56 H new ATOM 0 HD21 LEU A 120 -5.073 -1.800 -2.319 1.00 0.39 H new ATOM 0 HD22 LEU A 120 -4.126 -0.849 -3.487 1.00 0.39 H new ATOM 0 HD23 LEU A 120 -5.381 -1.971 -4.063 1.00 0.39 H new ATOM 1938 N LYS A 121 -4.107 -1.026 -6.684 1.00 0.32 N ATOM 1939 CA LYS A 121 -4.833 0.223 -7.051 1.00 0.40 C ATOM 1940 C LYS A 121 -6.046 -0.131 -7.914 1.00 0.39 C ATOM 1941 O LYS A 121 -7.137 0.360 -7.699 1.00 0.43 O ATOM 1942 CB LYS A 121 -3.899 1.143 -7.838 1.00 0.50 C ATOM 1943 CG LYS A 121 -4.654 2.410 -8.246 1.00 0.37 C ATOM 1944 CD LYS A 121 -3.668 3.430 -8.820 1.00 1.03 C ATOM 1945 CE LYS A 121 -2.964 2.830 -10.038 1.00 1.18 C ATOM 1946 NZ LYS A 121 -2.508 3.926 -10.938 1.00 1.41 N ATOM 0 H LYS A 121 -3.100 -1.008 -6.848 1.00 0.32 H new ATOM 0 HA LYS A 121 -5.165 0.731 -6.146 1.00 0.40 H new ATOM 0 HB2 LYS A 121 -3.032 1.403 -7.231 1.00 0.50 H new ATOM 0 HB3 LYS A 121 -3.526 0.628 -8.723 1.00 0.50 H new ATOM 0 HG2 LYS A 121 -5.417 2.169 -8.987 1.00 0.37 H new ATOM 0 HG3 LYS A 121 -5.170 2.832 -7.384 1.00 0.37 H new ATOM 0 HD2 LYS A 121 -4.195 4.341 -9.104 1.00 1.03 H new ATOM 0 HD3 LYS A 121 -2.935 3.708 -8.063 1.00 1.03 H new ATOM 0 HE2 LYS A 121 -2.113 2.229 -9.720 1.00 1.18 H new ATOM 0 HE3 LYS A 121 -3.642 2.165 -10.572 1.00 1.18 H new ATOM 0 HZ1 LYS A 121 -1.671 3.613 -11.470 1.00 1.41 H new ATOM 0 HZ2 LYS A 121 -3.270 4.169 -11.603 1.00 1.41 H new ATOM 0 HZ3 LYS A 121 -2.264 4.763 -10.370 1.00 1.41 H new ATOM 1960 N THR A 122 -5.865 -0.979 -8.888 1.00 0.36 N ATOM 1961 CA THR A 122 -7.009 -1.363 -9.762 1.00 0.42 C ATOM 1962 C THR A 122 -8.079 -2.061 -8.922 1.00 0.34 C ATOM 1963 O THR A 122 -9.247 -1.729 -8.986 1.00 0.38 O ATOM 1964 CB THR A 122 -6.520 -2.312 -10.858 1.00 0.47 C ATOM 1965 OG1 THR A 122 -5.203 -1.946 -11.247 1.00 0.52 O ATOM 1966 CG2 THR A 122 -7.454 -2.223 -12.065 1.00 0.83 C ATOM 0 H THR A 122 -4.975 -1.422 -9.117 1.00 0.36 H new ATOM 0 HA THR A 122 -7.432 -0.469 -10.220 1.00 0.42 H new ATOM 0 HB THR A 122 -6.516 -3.334 -10.479 1.00 0.47 H new ATOM 0 HG1 THR A 122 -4.557 -2.338 -10.623 1.00 0.52 H new ATOM 0 HG21 THR A 122 -7.105 -2.899 -12.846 1.00 0.83 H new ATOM 0 HG22 THR A 122 -8.464 -2.504 -11.765 1.00 0.83 H new ATOM 0 HG23 THR A 122 -7.460 -1.202 -12.446 1.00 0.83 H new ATOM 1974 N ILE A 123 -7.693 -3.025 -8.132 1.00 0.22 N ATOM 1975 CA ILE A 123 -8.690 -3.740 -7.288 1.00 0.17 C ATOM 1976 C ILE A 123 -9.576 -2.717 -6.576 1.00 0.14 C ATOM 1977 O ILE A 123 -10.780 -2.864 -6.510 1.00 0.16 O ATOM 1978 CB ILE A 123 -7.961 -4.595 -6.249 1.00 0.14 C ATOM 1979 CG1 ILE A 123 -7.482 -5.893 -6.904 1.00 0.14 C ATOM 1980 CG2 ILE A 123 -8.915 -4.927 -5.100 1.00 0.16 C ATOM 1981 CD1 ILE A 123 -6.433 -6.559 -6.011 1.00 0.12 C ATOM 0 H ILE A 123 -6.730 -3.348 -8.035 1.00 0.22 H new ATOM 0 HA ILE A 123 -9.306 -4.382 -7.917 1.00 0.17 H new ATOM 0 HB ILE A 123 -7.104 -4.044 -5.862 1.00 0.14 H new ATOM 0 HG12 ILE A 123 -8.324 -6.567 -7.058 1.00 0.14 H new ATOM 0 HG13 ILE A 123 -7.058 -5.682 -7.886 1.00 0.14 H new ATOM 0 HG21 ILE A 123 -8.395 -5.536 -4.360 1.00 0.16 H new ATOM 0 HG22 ILE A 123 -9.258 -4.004 -4.634 1.00 0.16 H new ATOM 0 HG23 ILE A 123 -9.772 -5.478 -5.487 1.00 0.16 H new ATOM 0 HD11 ILE A 123 -6.092 -7.483 -6.477 1.00 0.12 H new ATOM 0 HD12 ILE A 123 -5.586 -5.885 -5.879 1.00 0.12 H new ATOM 0 HD13 ILE A 123 -6.872 -6.784 -5.039 1.00 0.12 H new ATOM 1993 N MET A 124 -8.989 -1.678 -6.047 1.00 0.16 N ATOM 1994 CA MET A 124 -9.800 -0.644 -5.345 1.00 0.18 C ATOM 1995 C MET A 124 -10.814 -0.048 -6.321 1.00 0.17 C ATOM 1996 O MET A 124 -11.980 0.094 -6.012 1.00 0.35 O ATOM 1997 CB MET A 124 -8.877 0.463 -4.827 1.00 0.28 C ATOM 1998 CG MET A 124 -8.246 0.024 -3.505 1.00 0.45 C ATOM 1999 SD MET A 124 -9.271 0.595 -2.127 1.00 0.98 S ATOM 2000 CE MET A 124 -7.947 0.735 -0.902 1.00 0.54 C ATOM 0 H MET A 124 -7.985 -1.501 -6.071 1.00 0.16 H new ATOM 0 HA MET A 124 -10.326 -1.099 -4.506 1.00 0.18 H new ATOM 0 HB2 MET A 124 -8.099 0.676 -5.561 1.00 0.28 H new ATOM 0 HB3 MET A 124 -9.441 1.385 -4.685 1.00 0.28 H new ATOM 0 HG2 MET A 124 -8.153 -1.062 -3.477 1.00 0.45 H new ATOM 0 HG3 MET A 124 -7.239 0.433 -3.417 1.00 0.45 H new ATOM 0 HE1 MET A 124 -8.324 1.244 -0.015 1.00 0.54 H new ATOM 0 HE2 MET A 124 -7.598 -0.261 -0.628 1.00 0.54 H new ATOM 0 HE3 MET A 124 -7.120 1.306 -1.324 1.00 0.54 H new ATOM 2010 N ARG A 125 -10.378 0.300 -7.502 1.00 0.08 N ATOM 2011 CA ARG A 125 -11.316 0.885 -8.501 1.00 0.22 C ATOM 2012 C ARG A 125 -12.436 -0.116 -8.793 1.00 0.28 C ATOM 2013 O ARG A 125 -13.538 0.254 -9.146 1.00 0.36 O ATOM 2014 CB ARG A 125 -10.557 1.193 -9.792 1.00 0.28 C ATOM 2015 CG ARG A 125 -11.304 2.270 -10.581 1.00 1.07 C ATOM 2016 CD ARG A 125 -10.735 3.646 -10.231 1.00 0.94 C ATOM 2017 NE ARG A 125 -9.509 3.897 -11.040 1.00 0.62 N ATOM 2018 CZ ARG A 125 -9.026 5.105 -11.134 1.00 0.88 C ATOM 2019 NH1 ARG A 125 -9.615 6.094 -10.520 1.00 1.53 N ATOM 2020 NH2 ARG A 125 -7.952 5.325 -11.843 1.00 1.93 N ATOM 0 H ARG A 125 -9.413 0.204 -7.817 1.00 0.08 H new ATOM 0 HA ARG A 125 -11.745 1.805 -8.104 1.00 0.22 H new ATOM 0 HB2 ARG A 125 -9.547 1.532 -9.560 1.00 0.28 H new ATOM 0 HB3 ARG A 125 -10.460 0.289 -10.393 1.00 0.28 H new ATOM 0 HG2 ARG A 125 -11.206 2.086 -11.651 1.00 1.07 H new ATOM 0 HG3 ARG A 125 -12.368 2.235 -10.347 1.00 1.07 H new ATOM 0 HD2 ARG A 125 -11.478 4.419 -10.427 1.00 0.94 H new ATOM 0 HD3 ARG A 125 -10.498 3.694 -9.168 1.00 0.94 H new ATOM 0 HE ARG A 125 -9.048 3.124 -11.520 1.00 0.62 H new ATOM 0 HH11 ARG A 125 -10.454 5.923 -9.966 1.00 1.53 H new ATOM 0 HH12 ARG A 125 -9.236 7.038 -10.594 1.00 1.53 H new ATOM 0 HH21 ARG A 125 -7.491 4.552 -12.323 1.00 1.93 H new ATOM 0 HH22 ARG A 125 -7.574 6.270 -11.917 1.00 1.93 H new ATOM 2034 N GLU A 126 -12.161 -1.385 -8.651 1.00 0.28 N ATOM 2035 CA GLU A 126 -13.208 -2.410 -8.921 1.00 0.37 C ATOM 2036 C GLU A 126 -14.263 -2.367 -7.814 1.00 0.49 C ATOM 2037 O GLU A 126 -15.444 -2.491 -8.064 1.00 0.48 O ATOM 2038 CB GLU A 126 -12.564 -3.797 -8.958 1.00 0.33 C ATOM 2039 CG GLU A 126 -13.327 -4.689 -9.940 1.00 0.38 C ATOM 2040 CD GLU A 126 -12.709 -6.088 -9.947 1.00 0.50 C ATOM 2041 OE1 GLU A 126 -11.667 -6.251 -10.562 1.00 1.41 O ATOM 2042 OE2 GLU A 126 -13.287 -6.973 -9.339 1.00 0.65 O ATOM 0 H GLU A 126 -11.256 -1.755 -8.360 1.00 0.28 H new ATOM 0 HA GLU A 126 -13.681 -2.202 -9.881 1.00 0.37 H new ATOM 0 HB2 GLU A 126 -11.520 -3.717 -9.260 1.00 0.33 H new ATOM 0 HB3 GLU A 126 -12.575 -4.241 -7.963 1.00 0.33 H new ATOM 0 HG2 GLU A 126 -14.378 -4.746 -9.655 1.00 0.38 H new ATOM 0 HG3 GLU A 126 -13.291 -4.259 -10.941 1.00 0.38 H new ATOM 2049 N LYS A 127 -13.845 -2.191 -6.589 1.00 0.66 N ATOM 2050 CA LYS A 127 -14.824 -2.141 -5.468 1.00 0.79 C ATOM 2051 C LYS A 127 -15.280 -0.696 -5.254 1.00 0.84 C ATOM 2052 O LYS A 127 -16.267 -0.438 -4.595 1.00 1.00 O ATOM 2053 CB LYS A 127 -14.164 -2.662 -4.190 1.00 0.80 C ATOM 2054 CG LYS A 127 -13.415 -3.961 -4.495 1.00 0.76 C ATOM 2055 CD LYS A 127 -13.757 -5.009 -3.434 1.00 1.09 C ATOM 2056 CE LYS A 127 -13.007 -6.307 -3.738 1.00 1.20 C ATOM 2057 NZ LYS A 127 -13.976 -7.345 -4.191 1.00 2.32 N ATOM 0 H LYS A 127 -12.868 -2.080 -6.318 1.00 0.66 H new ATOM 0 HA LYS A 127 -15.686 -2.762 -5.710 1.00 0.79 H new ATOM 0 HB2 LYS A 127 -13.474 -1.916 -3.794 1.00 0.80 H new ATOM 0 HB3 LYS A 127 -14.919 -2.836 -3.423 1.00 0.80 H new ATOM 0 HG2 LYS A 127 -13.689 -4.327 -5.484 1.00 0.76 H new ATOM 0 HG3 LYS A 127 -12.340 -3.779 -4.508 1.00 0.76 H new ATOM 0 HD2 LYS A 127 -13.484 -4.642 -2.444 1.00 1.09 H new ATOM 0 HD3 LYS A 127 -14.831 -5.192 -3.421 1.00 1.09 H new ATOM 0 HE2 LYS A 127 -12.256 -6.134 -4.509 1.00 1.20 H new ATOM 0 HE3 LYS A 127 -12.478 -6.651 -2.849 1.00 1.20 H new ATOM 0 HZ1 LYS A 127 -13.481 -8.251 -4.317 1.00 2.32 H new ATOM 0 HZ2 LYS A 127 -14.725 -7.456 -3.478 1.00 2.32 H new ATOM 0 HZ3 LYS A 127 -14.399 -7.054 -5.095 1.00 2.32 H new ATOM 2071 N TYR A 128 -14.568 0.249 -5.807 1.00 0.72 N ATOM 2072 CA TYR A 128 -14.962 1.675 -5.633 1.00 0.78 C ATOM 2073 C TYR A 128 -16.251 1.947 -6.413 1.00 1.01 C ATOM 2074 O TYR A 128 -16.750 3.054 -6.438 1.00 1.06 O ATOM 2075 CB TYR A 128 -13.847 2.580 -6.161 1.00 0.66 C ATOM 2076 CG TYR A 128 -14.108 4.004 -5.734 1.00 0.70 C ATOM 2077 CD1 TYR A 128 -13.764 4.421 -4.443 1.00 0.59 C ATOM 2078 CD2 TYR A 128 -14.694 4.907 -6.628 1.00 0.87 C ATOM 2079 CE1 TYR A 128 -14.006 5.742 -4.045 1.00 0.66 C ATOM 2080 CE2 TYR A 128 -14.936 6.227 -6.232 1.00 0.93 C ATOM 2081 CZ TYR A 128 -14.592 6.646 -4.940 1.00 0.84 C ATOM 2082 OH TYR A 128 -14.831 7.947 -4.549 1.00 0.92 O ATOM 0 H TYR A 128 -13.732 0.095 -6.371 1.00 0.72 H new ATOM 0 HA TYR A 128 -15.127 1.880 -4.575 1.00 0.78 H new ATOM 0 HB2 TYR A 128 -12.882 2.246 -5.780 1.00 0.66 H new ATOM 0 HB3 TYR A 128 -13.799 2.518 -7.248 1.00 0.66 H new ATOM 0 HD1 TYR A 128 -13.312 3.724 -3.753 1.00 0.59 H new ATOM 0 HD2 TYR A 128 -14.960 4.585 -7.624 1.00 0.87 H new ATOM 0 HE1 TYR A 128 -13.741 6.063 -3.049 1.00 0.66 H new ATOM 0 HE2 TYR A 128 -15.388 6.923 -6.923 1.00 0.93 H new ATOM 0 HH TYR A 128 -15.241 8.441 -5.290 1.00 0.92 H new