USER MOD reduce.3.24.130724 H: found=0, std=0, add=1009, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1005 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 Single : A 7 CYS SG : rot -52:sc= -0.153 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0.00343 X(o=0.0034,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0501 USER MOD Single : A 19 ASN : amide:sc= -2.36 K(o=-2.4,f=-5.3!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 32:sc= 0.96 USER MOD Single : A 24 GLN : amide:sc= -0.159 K(o=-0.16,f=-1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 4:sc= 1.15 USER MOD Single : A 29 THR OG1 : rot 3:sc= -1.6 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -80:sc= 0.611 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 34:sc= 1.05 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0528 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 121:sc= 0.476 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 83:sc= 1.16 USER MOD Single : A 62 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.17) USER MOD Single : A 63 HIS : no HE2:sc= -4.7 K(o=-4.7,f=-6.1!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0426 USER MOD Single : A 75 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.086) USER MOD Single : A 76 GLN : amide:sc= -0.302 X(o=-0.3,f=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.421 K(o=-0.42,f=-1.5) USER MOD Single : A 80 HIS : no HD1:sc= -2.39! C(o=-2.4!,f=-4.3!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.0576 K(o=-0.058,f=-1.3!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc=-0.00735 K(o=-0.0074,f=-0.93) USER MOD Single : A 101 ASN : amide:sc= -1.46 K(o=-1.5,f=-6.3!) USER MOD Single : A 102 SER OG : rot 180:sc= -1.07 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.176 K(o=-0.18,f=-1.6!) USER MOD Single : A 111 SER OG : rot -130:sc= -0.396 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= -0.0874 K(o=-0.087,f=-0.77) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot -68:sc= -0.836 USER MOD Single : A 124 MET CE :methyl -133:sc= -11.2! (180deg=-18.1!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot -169:sc= 0.0546 USER MOD ----------------------------------------------------------------- ATOM 92 N CYS A 7 -16.867 6.745 1.295 1.00 0.59 N ATOM 93 CA CYS A 7 -16.416 6.778 -0.125 1.00 0.68 C ATOM 94 C CYS A 7 -16.507 8.213 -0.651 1.00 1.09 C ATOM 95 O CYS A 7 -16.846 8.444 -1.795 1.00 2.25 O ATOM 96 CB CYS A 7 -17.320 5.870 -0.962 1.00 1.05 C ATOM 97 SG CYS A 7 -16.532 5.527 -2.555 1.00 1.32 S ATOM 0 HA CYS A 7 -15.385 6.430 -0.193 1.00 0.68 H new ATOM 0 HB2 CYS A 7 -17.508 4.937 -0.430 1.00 1.05 H new ATOM 0 HB3 CYS A 7 -18.287 6.348 -1.119 1.00 1.05 H new ATOM 0 HG CYS A 7 -16.181 6.646 -3.116 1.00 1.32 H new ATOM 102 N ASP A 8 -16.217 9.179 0.177 1.00 1.15 N ATOM 103 CA ASP A 8 -16.298 10.595 -0.275 1.00 1.95 C ATOM 104 C ASP A 8 -14.934 11.042 -0.846 1.00 1.22 C ATOM 105 O ASP A 8 -14.508 10.550 -1.872 1.00 0.97 O ATOM 106 CB ASP A 8 -16.724 11.476 0.905 1.00 3.00 C ATOM 107 CG ASP A 8 -18.096 11.026 1.407 1.00 4.19 C ATOM 108 OD1 ASP A 8 -18.191 9.911 1.895 1.00 4.97 O ATOM 109 OD2 ASP A 8 -19.029 11.805 1.296 1.00 4.75 O ATOM 0 H ASP A 8 -15.928 9.048 1.146 1.00 1.15 H new ATOM 0 HA ASP A 8 -17.040 10.693 -1.067 1.00 1.95 H new ATOM 0 HB2 ASP A 8 -15.990 11.407 1.708 1.00 3.00 H new ATOM 0 HB3 ASP A 8 -16.762 12.521 0.597 1.00 3.00 H new ATOM 114 N ILE A 9 -14.244 11.968 -0.216 1.00 1.20 N ATOM 115 CA ILE A 9 -12.932 12.417 -0.765 1.00 0.82 C ATOM 116 C ILE A 9 -11.785 11.580 -0.176 1.00 0.69 C ATOM 117 O ILE A 9 -10.685 11.580 -0.689 1.00 0.66 O ATOM 118 CB ILE A 9 -12.731 13.898 -0.422 1.00 1.57 C ATOM 119 CG1 ILE A 9 -13.339 14.758 -1.533 1.00 2.12 C ATOM 120 CG2 ILE A 9 -11.240 14.211 -0.301 1.00 1.84 C ATOM 121 CD1 ILE A 9 -14.561 15.502 -0.993 1.00 1.77 C ATOM 0 H ILE A 9 -14.535 12.426 0.648 1.00 1.20 H new ATOM 0 HA ILE A 9 -12.929 12.284 -1.847 1.00 0.82 H new ATOM 0 HB ILE A 9 -13.219 14.115 0.528 1.00 1.57 H new ATOM 0 HG12 ILE A 9 -12.600 15.470 -1.901 1.00 2.12 H new ATOM 0 HG13 ILE A 9 -13.626 14.131 -2.377 1.00 2.12 H new ATOM 0 HG21 ILE A 9 -11.108 15.265 -0.057 1.00 1.84 H new ATOM 0 HG22 ILE A 9 -10.803 13.599 0.488 1.00 1.84 H new ATOM 0 HG23 ILE A 9 -10.744 13.993 -1.247 1.00 1.84 H new ATOM 0 HD11 ILE A 9 -14.993 16.114 -1.784 1.00 1.77 H new ATOM 0 HD12 ILE A 9 -15.302 14.781 -0.646 1.00 1.77 H new ATOM 0 HD13 ILE A 9 -14.260 16.141 -0.163 1.00 1.77 H new ATOM 133 N THR A 10 -12.018 10.867 0.895 1.00 0.63 N ATOM 134 CA THR A 10 -10.921 10.049 1.492 1.00 0.52 C ATOM 135 C THR A 10 -10.569 8.885 0.561 1.00 0.45 C ATOM 136 O THR A 10 -9.425 8.488 0.454 1.00 0.24 O ATOM 137 CB THR A 10 -11.372 9.493 2.844 1.00 0.58 C ATOM 138 OG1 THR A 10 -11.723 10.569 3.703 1.00 0.70 O ATOM 139 CG2 THR A 10 -10.229 8.688 3.467 1.00 0.43 C ATOM 0 H THR A 10 -12.914 10.816 1.379 1.00 0.63 H new ATOM 0 HA THR A 10 -10.043 10.681 1.628 1.00 0.52 H new ATOM 0 HB THR A 10 -12.237 8.845 2.705 1.00 0.58 H new ATOM 0 HG1 THR A 10 -12.014 10.215 4.569 1.00 0.70 H new ATOM 0 HG21 THR A 10 -10.547 8.290 4.431 1.00 0.43 H new ATOM 0 HG22 THR A 10 -9.961 7.864 2.805 1.00 0.43 H new ATOM 0 HG23 THR A 10 -9.364 9.335 3.609 1.00 0.43 H new ATOM 147 N LEU A 11 -11.542 8.323 -0.102 1.00 0.66 N ATOM 148 CA LEU A 11 -11.261 7.174 -1.010 1.00 0.66 C ATOM 149 C LEU A 11 -10.634 7.667 -2.320 1.00 0.56 C ATOM 150 O LEU A 11 -9.625 7.156 -2.759 1.00 0.54 O ATOM 151 CB LEU A 11 -12.568 6.439 -1.315 1.00 0.87 C ATOM 152 CG LEU A 11 -12.662 5.173 -0.456 1.00 1.18 C ATOM 153 CD1 LEU A 11 -11.645 4.141 -0.948 1.00 1.37 C ATOM 154 CD2 LEU A 11 -12.367 5.519 1.006 1.00 2.69 C ATOM 0 H LEU A 11 -12.520 8.609 -0.055 1.00 0.66 H new ATOM 0 HA LEU A 11 -10.561 6.498 -0.519 1.00 0.66 H new ATOM 0 HB2 LEU A 11 -13.418 7.091 -1.114 1.00 0.87 H new ATOM 0 HB3 LEU A 11 -12.611 6.177 -2.372 1.00 0.87 H new ATOM 0 HG LEU A 11 -13.667 4.760 -0.536 1.00 1.18 H new ATOM 0 HD11 LEU A 11 -11.714 3.242 -0.336 1.00 1.37 H new ATOM 0 HD12 LEU A 11 -11.856 3.889 -1.987 1.00 1.37 H new ATOM 0 HD13 LEU A 11 -10.640 4.556 -0.872 1.00 1.37 H new ATOM 0 HD21 LEU A 11 -12.435 4.617 1.614 1.00 2.69 H new ATOM 0 HD22 LEU A 11 -11.363 5.936 1.086 1.00 2.69 H new ATOM 0 HD23 LEU A 11 -13.093 6.251 1.360 1.00 2.69 H new ATOM 166 N GLN A 12 -11.226 8.643 -2.953 1.00 0.57 N ATOM 167 CA GLN A 12 -10.662 9.152 -4.240 1.00 0.51 C ATOM 168 C GLN A 12 -9.215 9.612 -4.036 1.00 0.47 C ATOM 169 O GLN A 12 -8.332 9.276 -4.801 1.00 0.40 O ATOM 170 CB GLN A 12 -11.503 10.331 -4.733 1.00 0.55 C ATOM 171 CG GLN A 12 -12.938 9.866 -4.986 1.00 1.83 C ATOM 172 CD GLN A 12 -13.752 11.020 -5.572 1.00 1.79 C ATOM 173 OE1 GLN A 12 -13.960 11.088 -6.767 1.00 1.89 O ATOM 174 NE2 GLN A 12 -14.226 11.939 -4.775 1.00 2.41 N ATOM 0 H GLN A 12 -12.075 9.111 -2.637 1.00 0.57 H new ATOM 0 HA GLN A 12 -10.681 8.350 -4.978 1.00 0.51 H new ATOM 0 HB2 GLN A 12 -11.494 11.132 -3.993 1.00 0.55 H new ATOM 0 HB3 GLN A 12 -11.075 10.738 -5.649 1.00 0.55 H new ATOM 0 HG2 GLN A 12 -12.942 9.019 -5.672 1.00 1.83 H new ATOM 0 HG3 GLN A 12 -13.390 9.524 -4.055 1.00 1.83 H new ATOM 0 HE21 GLN A 12 -14.052 11.883 -3.772 1.00 2.41 H new ATOM 0 HE22 GLN A 12 -14.770 12.713 -5.156 1.00 2.41 H new ATOM 183 N GLU A 13 -8.970 10.379 -3.015 1.00 0.54 N ATOM 184 CA GLU A 13 -7.583 10.863 -2.760 1.00 0.51 C ATOM 185 C GLU A 13 -6.663 9.663 -2.535 1.00 0.53 C ATOM 186 O GLU A 13 -5.561 9.608 -3.041 1.00 0.62 O ATOM 187 CB GLU A 13 -7.574 11.749 -1.514 1.00 0.47 C ATOM 188 CG GLU A 13 -6.273 12.553 -1.469 1.00 0.70 C ATOM 189 CD GLU A 13 -6.529 13.906 -0.803 1.00 0.78 C ATOM 190 OE1 GLU A 13 -7.583 14.061 -0.208 1.00 1.16 O ATOM 191 OE2 GLU A 13 -5.668 14.764 -0.901 1.00 1.71 O ATOM 0 H GLU A 13 -9.670 10.694 -2.343 1.00 0.54 H new ATOM 0 HA GLU A 13 -7.233 11.438 -3.618 1.00 0.51 H new ATOM 0 HB2 GLU A 13 -8.430 12.423 -1.528 1.00 0.47 H new ATOM 0 HB3 GLU A 13 -7.666 11.135 -0.618 1.00 0.47 H new ATOM 0 HG2 GLU A 13 -5.512 12.002 -0.916 1.00 0.70 H new ATOM 0 HG3 GLU A 13 -5.889 12.700 -2.479 1.00 0.70 H new ATOM 198 N ILE A 14 -7.113 8.704 -1.776 1.00 0.48 N ATOM 199 CA ILE A 14 -6.275 7.502 -1.510 1.00 0.48 C ATOM 200 C ILE A 14 -5.986 6.767 -2.825 1.00 0.45 C ATOM 201 O ILE A 14 -5.001 6.067 -2.950 1.00 0.41 O ATOM 202 CB ILE A 14 -7.031 6.574 -0.555 1.00 0.48 C ATOM 203 CG1 ILE A 14 -6.465 6.726 0.858 1.00 0.61 C ATOM 204 CG2 ILE A 14 -6.876 5.121 -1.011 1.00 0.41 C ATOM 205 CD1 ILE A 14 -7.510 6.268 1.877 1.00 0.35 C ATOM 0 H ILE A 14 -8.029 8.701 -1.327 1.00 0.48 H new ATOM 0 HA ILE A 14 -5.329 7.805 -1.061 1.00 0.48 H new ATOM 0 HB ILE A 14 -8.088 6.841 -0.557 1.00 0.48 H new ATOM 0 HG12 ILE A 14 -5.555 6.134 0.963 1.00 0.61 H new ATOM 0 HG13 ILE A 14 -6.192 7.765 1.042 1.00 0.61 H new ATOM 0 HG21 ILE A 14 -7.416 4.466 -0.328 1.00 0.41 H new ATOM 0 HG22 ILE A 14 -7.282 5.010 -2.017 1.00 0.41 H new ATOM 0 HG23 ILE A 14 -5.820 4.851 -1.014 1.00 0.41 H new ATOM 0 HD11 ILE A 14 -7.108 6.376 2.884 1.00 0.35 H new ATOM 0 HD12 ILE A 14 -8.407 6.879 1.777 1.00 0.35 H new ATOM 0 HD13 ILE A 14 -7.761 5.223 1.696 1.00 0.35 H new ATOM 217 N ILE A 15 -6.837 6.915 -3.803 1.00 0.48 N ATOM 218 CA ILE A 15 -6.610 6.221 -5.101 1.00 0.46 C ATOM 219 C ILE A 15 -5.449 6.888 -5.845 1.00 0.40 C ATOM 220 O ILE A 15 -4.563 6.226 -6.352 1.00 0.37 O ATOM 221 CB ILE A 15 -7.884 6.306 -5.945 1.00 0.49 C ATOM 222 CG1 ILE A 15 -8.866 5.221 -5.493 1.00 0.66 C ATOM 223 CG2 ILE A 15 -7.543 6.094 -7.418 1.00 0.34 C ATOM 224 CD1 ILE A 15 -10.274 5.572 -5.977 1.00 1.05 C ATOM 0 H ILE A 15 -7.680 7.487 -3.759 1.00 0.48 H new ATOM 0 HA ILE A 15 -6.362 5.175 -4.920 1.00 0.46 H new ATOM 0 HB ILE A 15 -8.336 7.290 -5.816 1.00 0.49 H new ATOM 0 HG12 ILE A 15 -8.564 4.253 -5.892 1.00 0.66 H new ATOM 0 HG13 ILE A 15 -8.854 5.135 -4.406 1.00 0.66 H new ATOM 0 HG21 ILE A 15 -8.453 6.155 -8.015 1.00 0.34 H new ATOM 0 HG22 ILE A 15 -6.843 6.863 -7.744 1.00 0.34 H new ATOM 0 HG23 ILE A 15 -7.089 5.112 -7.549 1.00 0.34 H new ATOM 0 HD11 ILE A 15 -10.972 4.800 -5.655 1.00 1.05 H new ATOM 0 HD12 ILE A 15 -10.575 6.531 -5.556 1.00 1.05 H new ATOM 0 HD13 ILE A 15 -10.279 5.635 -7.065 1.00 1.05 H new ATOM 236 N LYS A 16 -5.442 8.193 -5.914 1.00 0.41 N ATOM 237 CA LYS A 16 -4.336 8.896 -6.626 1.00 0.38 C ATOM 238 C LYS A 16 -3.001 8.591 -5.943 1.00 0.37 C ATOM 239 O LYS A 16 -2.006 8.336 -6.590 1.00 0.34 O ATOM 240 CB LYS A 16 -4.580 10.407 -6.595 1.00 0.47 C ATOM 241 CG LYS A 16 -5.743 10.761 -7.523 1.00 0.89 C ATOM 242 CD LYS A 16 -6.697 11.713 -6.799 1.00 1.13 C ATOM 243 CE LYS A 16 -6.143 13.138 -6.864 1.00 1.07 C ATOM 244 NZ LYS A 16 -7.160 14.038 -7.478 1.00 1.05 N ATOM 0 H LYS A 16 -6.153 8.801 -5.509 1.00 0.41 H new ATOM 0 HA LYS A 16 -4.305 8.550 -7.659 1.00 0.38 H new ATOM 0 HB2 LYS A 16 -4.803 10.728 -5.578 1.00 0.47 H new ATOM 0 HB3 LYS A 16 -3.680 10.937 -6.906 1.00 0.47 H new ATOM 0 HG2 LYS A 16 -5.367 11.227 -8.434 1.00 0.89 H new ATOM 0 HG3 LYS A 16 -6.272 9.856 -7.823 1.00 0.89 H new ATOM 0 HD2 LYS A 16 -7.685 11.674 -7.259 1.00 1.13 H new ATOM 0 HD3 LYS A 16 -6.816 11.405 -5.760 1.00 1.13 H new ATOM 0 HE2 LYS A 16 -5.890 13.487 -5.863 1.00 1.07 H new ATOM 0 HE3 LYS A 16 -5.224 13.156 -7.450 1.00 1.07 H new ATOM 0 HZ1 LYS A 16 -6.784 15.007 -7.523 1.00 1.05 H new ATOM 0 HZ2 LYS A 16 -7.381 13.708 -8.439 1.00 1.05 H new ATOM 0 HZ3 LYS A 16 -8.025 14.028 -6.901 1.00 1.05 H new ATOM 258 N THR A 17 -2.970 8.624 -4.641 1.00 0.41 N ATOM 259 CA THR A 17 -1.696 8.343 -3.918 1.00 0.42 C ATOM 260 C THR A 17 -1.243 6.912 -4.213 1.00 0.35 C ATOM 261 O THR A 17 -0.070 6.644 -4.374 1.00 0.34 O ATOM 262 CB THR A 17 -1.907 8.511 -2.410 1.00 0.48 C ATOM 263 OG1 THR A 17 -2.953 9.444 -2.175 1.00 0.51 O ATOM 264 CG2 THR A 17 -0.614 9.022 -1.770 1.00 0.89 C ATOM 0 H THR A 17 -3.771 8.833 -4.045 1.00 0.41 H new ATOM 0 HA THR A 17 -0.932 9.043 -4.255 1.00 0.42 H new ATOM 0 HB THR A 17 -2.176 7.550 -1.972 1.00 0.48 H new ATOM 0 HG1 THR A 17 -3.087 9.549 -1.210 1.00 0.51 H new ATOM 0 HG21 THR A 17 -0.762 9.142 -0.697 1.00 0.89 H new ATOM 0 HG22 THR A 17 0.188 8.305 -1.948 1.00 0.89 H new ATOM 0 HG23 THR A 17 -0.346 9.983 -2.209 1.00 0.89 H new ATOM 272 N LEU A 18 -2.163 5.988 -4.284 1.00 0.32 N ATOM 273 CA LEU A 18 -1.779 4.576 -4.566 1.00 0.27 C ATOM 274 C LEU A 18 -0.988 4.517 -5.877 1.00 0.20 C ATOM 275 O LEU A 18 0.073 3.931 -5.945 1.00 0.22 O ATOM 276 CB LEU A 18 -3.044 3.722 -4.697 1.00 0.27 C ATOM 277 CG LEU A 18 -2.775 2.295 -4.201 1.00 0.45 C ATOM 278 CD1 LEU A 18 -1.398 1.824 -4.675 1.00 1.07 C ATOM 279 CD2 LEU A 18 -2.825 2.269 -2.672 1.00 1.71 C ATOM 0 H LEU A 18 -3.162 6.150 -4.159 1.00 0.32 H new ATOM 0 HA LEU A 18 -1.164 4.195 -3.751 1.00 0.27 H new ATOM 0 HB2 LEU A 18 -3.854 4.168 -4.120 1.00 0.27 H new ATOM 0 HB3 LEU A 18 -3.369 3.698 -5.737 1.00 0.27 H new ATOM 0 HG LEU A 18 -3.537 1.628 -4.605 1.00 0.45 H new ATOM 0 HD11 LEU A 18 -1.217 0.810 -4.317 1.00 1.07 H new ATOM 0 HD12 LEU A 18 -1.364 1.836 -5.764 1.00 1.07 H new ATOM 0 HD13 LEU A 18 -0.630 2.490 -4.281 1.00 1.07 H new ATOM 0 HD21 LEU A 18 -2.634 1.256 -2.319 1.00 1.71 H new ATOM 0 HD22 LEU A 18 -2.067 2.942 -2.272 1.00 1.71 H new ATOM 0 HD23 LEU A 18 -3.810 2.591 -2.335 1.00 1.71 H new ATOM 291 N ASN A 19 -1.505 5.109 -6.917 1.00 0.22 N ATOM 292 CA ASN A 19 -0.790 5.078 -8.225 1.00 0.23 C ATOM 293 C ASN A 19 0.555 5.799 -8.105 1.00 0.26 C ATOM 294 O ASN A 19 1.519 5.446 -8.756 1.00 0.25 O ATOM 295 CB ASN A 19 -1.646 5.769 -9.288 1.00 0.31 C ATOM 296 CG ASN A 19 -2.858 4.893 -9.613 1.00 1.66 C ATOM 297 OD1 ASN A 19 -3.492 4.359 -8.725 1.00 2.89 O ATOM 298 ND2 ASN A 19 -3.209 4.723 -10.859 1.00 1.86 N ATOM 0 H ASN A 19 -2.392 5.613 -6.919 1.00 0.22 H new ATOM 0 HA ASN A 19 -0.614 4.041 -8.512 1.00 0.23 H new ATOM 0 HB2 ASN A 19 -1.974 6.744 -8.929 1.00 0.31 H new ATOM 0 HB3 ASN A 19 -1.057 5.943 -10.189 1.00 0.31 H new ATOM 0 HD21 ASN A 19 -4.016 4.142 -11.087 1.00 1.86 H new ATOM 0 HD22 ASN A 19 -2.677 5.171 -11.605 1.00 1.86 H new ATOM 305 N SER A 20 0.631 6.809 -7.283 1.00 0.34 N ATOM 306 CA SER A 20 1.915 7.551 -7.131 1.00 0.38 C ATOM 307 C SER A 20 2.960 6.648 -6.472 1.00 0.26 C ATOM 308 O SER A 20 4.146 6.792 -6.693 1.00 0.20 O ATOM 309 CB SER A 20 1.688 8.787 -6.260 1.00 0.58 C ATOM 310 OG SER A 20 1.051 9.796 -7.034 1.00 1.47 O ATOM 0 H SER A 20 -0.140 7.153 -6.710 1.00 0.34 H new ATOM 0 HA SER A 20 2.273 7.857 -8.114 1.00 0.38 H new ATOM 0 HB2 SER A 20 1.072 8.531 -5.398 1.00 0.58 H new ATOM 0 HB3 SER A 20 2.639 9.154 -5.874 1.00 0.58 H new ATOM 0 HG SER A 20 0.902 10.589 -6.478 1.00 1.47 H new ATOM 316 N LEU A 21 2.533 5.718 -5.661 1.00 0.34 N ATOM 317 CA LEU A 21 3.506 4.811 -4.987 1.00 0.38 C ATOM 318 C LEU A 21 4.016 3.764 -5.982 1.00 0.33 C ATOM 319 O LEU A 21 5.098 3.229 -5.831 1.00 0.37 O ATOM 320 CB LEU A 21 2.818 4.111 -3.813 1.00 0.55 C ATOM 321 CG LEU A 21 2.863 5.018 -2.581 1.00 0.65 C ATOM 322 CD1 LEU A 21 1.488 5.046 -1.913 1.00 1.10 C ATOM 323 CD2 LEU A 21 3.899 4.483 -1.591 1.00 0.41 C ATOM 0 H LEU A 21 1.553 5.547 -5.436 1.00 0.34 H new ATOM 0 HA LEU A 21 4.350 5.395 -4.620 1.00 0.38 H new ATOM 0 HB2 LEU A 21 1.784 3.879 -4.069 1.00 0.55 H new ATOM 0 HB3 LEU A 21 3.314 3.164 -3.599 1.00 0.55 H new ATOM 0 HG LEU A 21 3.138 6.028 -2.886 1.00 0.65 H new ATOM 0 HD11 LEU A 21 1.523 5.692 -1.036 1.00 1.10 H new ATOM 0 HD12 LEU A 21 0.749 5.429 -2.617 1.00 1.10 H new ATOM 0 HD13 LEU A 21 1.211 4.037 -1.609 1.00 1.10 H new ATOM 0 HD21 LEU A 21 3.931 5.129 -0.714 1.00 0.41 H new ATOM 0 HD22 LEU A 21 3.625 3.473 -1.288 1.00 0.41 H new ATOM 0 HD23 LEU A 21 4.880 4.466 -2.065 1.00 0.41 H new ATOM 335 N THR A 22 3.249 3.459 -6.994 1.00 0.38 N ATOM 336 CA THR A 22 3.697 2.442 -7.990 1.00 0.50 C ATOM 337 C THR A 22 4.677 3.064 -8.998 1.00 0.49 C ATOM 338 O THR A 22 5.220 2.376 -9.840 1.00 0.58 O ATOM 339 CB THR A 22 2.480 1.899 -8.742 1.00 0.70 C ATOM 340 OG1 THR A 22 1.556 2.955 -8.970 1.00 0.74 O ATOM 341 CG2 THR A 22 1.812 0.804 -7.911 1.00 2.11 C ATOM 0 H THR A 22 2.333 3.869 -7.174 1.00 0.38 H new ATOM 0 HA THR A 22 4.203 1.635 -7.460 1.00 0.50 H new ATOM 0 HB THR A 22 2.799 1.483 -9.698 1.00 0.70 H new ATOM 0 HG1 THR A 22 2.044 3.797 -9.089 1.00 0.74 H new ATOM 0 HG21 THR A 22 0.945 0.418 -8.447 1.00 2.11 H new ATOM 0 HG22 THR A 22 2.522 -0.005 -7.738 1.00 2.11 H new ATOM 0 HG23 THR A 22 1.492 1.217 -6.954 1.00 2.11 H new ATOM 349 N GLU A 23 4.910 4.351 -8.935 1.00 0.47 N ATOM 350 CA GLU A 23 5.852 4.982 -9.904 1.00 0.56 C ATOM 351 C GLU A 23 7.207 4.271 -9.849 1.00 0.59 C ATOM 352 O GLU A 23 7.896 4.152 -10.843 1.00 0.68 O ATOM 353 CB GLU A 23 6.037 6.458 -9.550 1.00 0.49 C ATOM 354 CG GLU A 23 6.507 7.225 -10.789 1.00 0.69 C ATOM 355 CD GLU A 23 6.483 8.728 -10.501 1.00 0.51 C ATOM 356 OE1 GLU A 23 5.859 9.115 -9.526 1.00 1.13 O ATOM 357 OE2 GLU A 23 7.091 9.466 -11.259 1.00 1.32 O ATOM 0 H GLU A 23 4.490 4.988 -8.258 1.00 0.47 H new ATOM 0 HA GLU A 23 5.441 4.897 -10.910 1.00 0.56 H new ATOM 0 HB2 GLU A 23 5.099 6.876 -9.185 1.00 0.49 H new ATOM 0 HB3 GLU A 23 6.766 6.562 -8.747 1.00 0.49 H new ATOM 0 HG2 GLU A 23 7.515 6.913 -11.062 1.00 0.69 H new ATOM 0 HG3 GLU A 23 5.862 6.996 -11.637 1.00 0.69 H new ATOM 364 N GLN A 24 7.595 3.798 -8.697 1.00 0.54 N ATOM 365 CA GLN A 24 8.905 3.097 -8.584 1.00 0.59 C ATOM 366 C GLN A 24 8.668 1.647 -8.161 1.00 0.61 C ATOM 367 O GLN A 24 8.938 1.257 -7.042 1.00 0.60 O ATOM 368 CB GLN A 24 9.773 3.806 -7.543 1.00 0.51 C ATOM 369 CG GLN A 24 11.229 3.822 -8.014 1.00 0.78 C ATOM 370 CD GLN A 24 11.808 5.226 -7.834 1.00 0.63 C ATOM 371 OE1 GLN A 24 11.391 5.961 -6.960 1.00 1.23 O ATOM 372 NE2 GLN A 24 12.759 5.635 -8.630 1.00 1.60 N ATOM 0 H GLN A 24 7.062 3.866 -7.830 1.00 0.54 H new ATOM 0 HA GLN A 24 9.415 3.113 -9.547 1.00 0.59 H new ATOM 0 HB2 GLN A 24 9.418 4.825 -7.392 1.00 0.51 H new ATOM 0 HB3 GLN A 24 9.696 3.296 -6.583 1.00 0.51 H new ATOM 0 HG2 GLN A 24 11.814 3.100 -7.445 1.00 0.78 H new ATOM 0 HG3 GLN A 24 11.287 3.525 -9.061 1.00 0.78 H new ATOM 0 HE21 GLN A 24 13.110 5.019 -9.364 1.00 1.60 H new ATOM 0 HE22 GLN A 24 13.151 6.570 -8.518 1.00 1.60 H new ATOM 381 N LYS A 25 8.158 0.848 -9.052 1.00 0.67 N ATOM 382 CA LYS A 25 7.895 -0.579 -8.709 1.00 0.70 C ATOM 383 C LYS A 25 8.859 -1.489 -9.480 1.00 0.67 C ATOM 384 O LYS A 25 8.475 -2.199 -10.387 1.00 0.76 O ATOM 385 CB LYS A 25 6.441 -0.940 -9.050 1.00 0.87 C ATOM 386 CG LYS A 25 6.185 -0.782 -10.554 1.00 1.62 C ATOM 387 CD LYS A 25 4.738 -0.345 -10.784 1.00 1.94 C ATOM 388 CE LYS A 25 4.018 -1.392 -11.636 1.00 2.89 C ATOM 389 NZ LYS A 25 4.089 -0.998 -13.072 1.00 3.93 N ATOM 0 H LYS A 25 7.911 1.119 -10.004 1.00 0.67 H new ATOM 0 HA LYS A 25 8.053 -0.723 -7.640 1.00 0.70 H new ATOM 0 HB2 LYS A 25 6.234 -1.966 -8.746 1.00 0.87 H new ATOM 0 HB3 LYS A 25 5.760 -0.299 -8.490 1.00 0.87 H new ATOM 0 HG2 LYS A 25 6.869 -0.045 -10.974 1.00 1.62 H new ATOM 0 HG3 LYS A 25 6.377 -1.724 -11.067 1.00 1.62 H new ATOM 0 HD2 LYS A 25 4.227 -0.224 -9.829 1.00 1.94 H new ATOM 0 HD3 LYS A 25 4.714 0.624 -11.283 1.00 1.94 H new ATOM 0 HE2 LYS A 25 4.477 -2.371 -11.493 1.00 2.89 H new ATOM 0 HE3 LYS A 25 2.978 -1.479 -11.323 1.00 2.89 H new ATOM 0 HZ1 LYS A 25 3.600 -1.709 -13.652 1.00 3.93 H new ATOM 0 HZ2 LYS A 25 3.632 -0.073 -13.201 1.00 3.93 H new ATOM 0 HZ3 LYS A 25 5.085 -0.937 -13.366 1.00 3.93 H new ATOM 403 N THR A 26 10.114 -1.479 -9.120 1.00 0.58 N ATOM 404 CA THR A 26 11.092 -2.348 -9.833 1.00 0.56 C ATOM 405 C THR A 26 12.388 -2.448 -9.026 1.00 0.40 C ATOM 406 O THR A 26 12.937 -3.518 -8.848 1.00 0.43 O ATOM 407 CB THR A 26 11.395 -1.746 -11.207 1.00 0.60 C ATOM 408 OG1 THR A 26 10.328 -2.039 -12.097 1.00 1.91 O ATOM 409 CG2 THR A 26 12.693 -2.344 -11.751 1.00 1.57 C ATOM 0 H THR A 26 10.502 -0.910 -8.368 1.00 0.58 H new ATOM 0 HA THR A 26 10.667 -3.345 -9.951 1.00 0.56 H new ATOM 0 HB THR A 26 11.505 -0.665 -11.115 1.00 0.60 H new ATOM 0 HG1 THR A 26 9.616 -2.505 -11.611 1.00 1.91 H new ATOM 0 HG21 THR A 26 12.909 -1.915 -12.730 1.00 1.57 H new ATOM 0 HG22 THR A 26 13.512 -2.119 -11.068 1.00 1.57 H new ATOM 0 HG23 THR A 26 12.585 -3.425 -11.844 1.00 1.57 H new ATOM 417 N LEU A 27 12.892 -1.344 -8.550 1.00 0.29 N ATOM 418 CA LEU A 27 14.162 -1.381 -7.771 1.00 0.15 C ATOM 419 C LEU A 27 13.866 -1.563 -6.281 1.00 0.08 C ATOM 420 O LEU A 27 14.545 -2.295 -5.593 1.00 0.23 O ATOM 421 CB LEU A 27 14.922 -0.069 -7.985 1.00 0.23 C ATOM 422 CG LEU A 27 16.388 -0.253 -7.588 1.00 0.40 C ATOM 423 CD1 LEU A 27 17.288 0.363 -8.660 1.00 0.70 C ATOM 424 CD2 LEU A 27 16.643 0.443 -6.248 1.00 1.33 C ATOM 0 H LEU A 27 12.480 -0.418 -8.666 1.00 0.29 H new ATOM 0 HA LEU A 27 14.767 -2.221 -8.114 1.00 0.15 H new ATOM 0 HB2 LEU A 27 14.853 0.236 -9.029 1.00 0.23 H new ATOM 0 HB3 LEU A 27 14.471 0.725 -7.390 1.00 0.23 H new ATOM 0 HG LEU A 27 16.609 -1.316 -7.495 1.00 0.40 H new ATOM 0 HD11 LEU A 27 18.333 0.232 -8.377 1.00 0.70 H new ATOM 0 HD12 LEU A 27 17.106 -0.130 -9.615 1.00 0.70 H new ATOM 0 HD13 LEU A 27 17.068 1.426 -8.753 1.00 0.70 H new ATOM 0 HD21 LEU A 27 17.687 0.313 -5.963 1.00 1.33 H new ATOM 0 HD22 LEU A 27 16.422 1.506 -6.342 1.00 1.33 H new ATOM 0 HD23 LEU A 27 16.001 0.006 -5.483 1.00 1.33 H new ATOM 436 N CYS A 28 12.870 -0.893 -5.772 1.00 0.09 N ATOM 437 CA CYS A 28 12.550 -1.031 -4.320 1.00 0.06 C ATOM 438 C CYS A 28 11.526 -2.153 -4.101 1.00 0.14 C ATOM 439 O CYS A 28 11.401 -2.683 -3.014 1.00 0.22 O ATOM 440 CB CYS A 28 11.986 0.290 -3.791 1.00 0.14 C ATOM 441 SG CYS A 28 13.290 1.198 -2.921 1.00 0.76 S ATOM 0 H CYS A 28 12.265 -0.258 -6.294 1.00 0.09 H new ATOM 0 HA CYS A 28 13.464 -1.281 -3.781 1.00 0.06 H new ATOM 0 HB2 CYS A 28 11.599 0.889 -4.616 1.00 0.14 H new ATOM 0 HB3 CYS A 28 11.151 0.097 -3.118 1.00 0.14 H new ATOM 446 N THR A 29 10.787 -2.518 -5.116 1.00 0.22 N ATOM 447 CA THR A 29 9.771 -3.601 -4.950 1.00 0.35 C ATOM 448 C THR A 29 10.393 -4.978 -5.219 1.00 0.32 C ATOM 449 O THR A 29 9.693 -5.962 -5.362 1.00 0.39 O ATOM 450 CB THR A 29 8.613 -3.365 -5.917 1.00 0.58 C ATOM 451 OG1 THR A 29 9.108 -3.315 -7.248 1.00 0.59 O ATOM 452 CG2 THR A 29 7.936 -2.041 -5.569 1.00 0.64 C ATOM 0 H THR A 29 10.842 -2.114 -6.051 1.00 0.22 H new ATOM 0 HA THR A 29 9.406 -3.581 -3.923 1.00 0.35 H new ATOM 0 HB THR A 29 7.892 -4.178 -5.835 1.00 0.58 H new ATOM 0 HG1 THR A 29 10.072 -3.489 -7.245 1.00 0.59 H new ATOM 0 HG21 THR A 29 7.108 -1.865 -6.255 1.00 0.64 H new ATOM 0 HG22 THR A 29 7.558 -2.083 -4.547 1.00 0.64 H new ATOM 0 HG23 THR A 29 8.658 -1.229 -5.656 1.00 0.64 H new ATOM 460 N GLU A 30 11.694 -5.065 -5.295 1.00 0.27 N ATOM 461 CA GLU A 30 12.343 -6.383 -5.559 1.00 0.34 C ATOM 462 C GLU A 30 12.583 -7.132 -4.239 1.00 0.32 C ATOM 463 O GLU A 30 13.629 -7.710 -4.027 1.00 0.16 O ATOM 464 CB GLU A 30 13.682 -6.145 -6.271 1.00 0.39 C ATOM 465 CG GLU A 30 14.628 -5.360 -5.357 1.00 1.08 C ATOM 466 CD GLU A 30 15.947 -5.108 -6.089 1.00 1.32 C ATOM 467 OE1 GLU A 30 16.606 -6.076 -6.434 1.00 0.91 O ATOM 468 OE2 GLU A 30 16.278 -3.951 -6.294 1.00 2.46 O ATOM 0 H GLU A 30 12.336 -4.280 -5.186 1.00 0.27 H new ATOM 0 HA GLU A 30 11.690 -6.988 -6.188 1.00 0.34 H new ATOM 0 HB2 GLU A 30 14.134 -7.099 -6.543 1.00 0.39 H new ATOM 0 HB3 GLU A 30 13.518 -5.595 -7.198 1.00 0.39 H new ATOM 0 HG2 GLU A 30 14.172 -4.413 -5.070 1.00 1.08 H new ATOM 0 HG3 GLU A 30 14.810 -5.917 -4.438 1.00 1.08 H new ATOM 475 N LEU A 31 11.618 -7.149 -3.355 1.00 0.52 N ATOM 476 CA LEU A 31 11.794 -7.868 -2.079 1.00 0.52 C ATOM 477 C LEU A 31 10.958 -9.150 -2.139 1.00 0.84 C ATOM 478 O LEU A 31 10.941 -9.826 -3.145 1.00 2.02 O ATOM 479 CB LEU A 31 11.349 -6.953 -0.931 1.00 0.98 C ATOM 480 CG LEU A 31 12.099 -5.620 -1.007 1.00 0.91 C ATOM 481 CD1 LEU A 31 11.113 -4.467 -0.809 1.00 1.56 C ATOM 482 CD2 LEU A 31 13.163 -5.572 0.093 1.00 1.13 C ATOM 0 H LEU A 31 10.715 -6.690 -3.472 1.00 0.52 H new ATOM 0 HA LEU A 31 12.836 -8.137 -1.909 1.00 0.52 H new ATOM 0 HB2 LEU A 31 10.274 -6.780 -0.988 1.00 0.98 H new ATOM 0 HB3 LEU A 31 11.543 -7.436 0.027 1.00 0.98 H new ATOM 0 HG LEU A 31 12.576 -5.527 -1.982 1.00 0.91 H new ATOM 0 HD11 LEU A 31 11.647 -3.518 -0.863 1.00 1.56 H new ATOM 0 HD12 LEU A 31 10.353 -4.500 -1.589 1.00 1.56 H new ATOM 0 HD13 LEU A 31 10.636 -4.560 0.167 1.00 1.56 H new ATOM 0 HD21 LEU A 31 13.698 -4.624 0.041 1.00 1.13 H new ATOM 0 HD22 LEU A 31 12.683 -5.665 1.067 1.00 1.13 H new ATOM 0 HD23 LEU A 31 13.866 -6.393 -0.045 1.00 1.13 H new ATOM 494 N THR A 32 10.266 -9.482 -1.090 1.00 0.71 N ATOM 495 CA THR A 32 9.426 -10.713 -1.082 1.00 0.73 C ATOM 496 C THR A 32 8.450 -10.597 0.051 1.00 0.94 C ATOM 497 O THR A 32 8.464 -11.333 1.018 1.00 2.09 O ATOM 498 CB THR A 32 10.300 -11.955 -0.939 1.00 0.64 C ATOM 499 OG1 THR A 32 11.401 -11.670 -0.088 1.00 0.52 O ATOM 500 CG2 THR A 32 10.808 -12.379 -2.320 1.00 0.66 C ATOM 0 H THR A 32 10.245 -8.946 -0.223 1.00 0.71 H new ATOM 0 HA THR A 32 8.884 -10.812 -2.023 1.00 0.73 H new ATOM 0 HB THR A 32 9.714 -12.765 -0.504 1.00 0.64 H new ATOM 0 HG1 THR A 32 11.960 -12.470 0.003 1.00 0.52 H new ATOM 0 HG21 THR A 32 11.433 -13.266 -2.221 1.00 0.66 H new ATOM 0 HG22 THR A 32 9.960 -12.603 -2.967 1.00 0.66 H new ATOM 0 HG23 THR A 32 11.393 -11.570 -2.757 1.00 0.66 H new ATOM 508 N VAL A 33 7.587 -9.655 -0.102 1.00 0.30 N ATOM 509 CA VAL A 33 6.550 -9.413 0.904 1.00 0.11 C ATOM 510 C VAL A 33 5.349 -10.295 0.594 1.00 0.45 C ATOM 511 O VAL A 33 4.806 -10.280 -0.492 1.00 1.76 O ATOM 512 CB VAL A 33 6.132 -7.941 0.872 1.00 0.39 C ATOM 513 CG1 VAL A 33 7.366 -7.054 1.053 1.00 0.67 C ATOM 514 CG2 VAL A 33 5.472 -7.626 -0.472 1.00 0.57 C ATOM 0 H VAL A 33 7.558 -9.027 -0.905 1.00 0.30 H new ATOM 0 HA VAL A 33 6.936 -9.649 1.896 1.00 0.11 H new ATOM 0 HB VAL A 33 5.425 -7.749 1.679 1.00 0.39 H new ATOM 0 HG11 VAL A 33 7.067 -6.006 1.030 1.00 0.67 H new ATOM 0 HG12 VAL A 33 7.837 -7.276 2.011 1.00 0.67 H new ATOM 0 HG13 VAL A 33 8.074 -7.247 0.247 1.00 0.67 H new ATOM 0 HG21 VAL A 33 5.174 -6.578 -0.494 1.00 0.57 H new ATOM 0 HG22 VAL A 33 6.179 -7.820 -1.279 1.00 0.57 H new ATOM 0 HG23 VAL A 33 4.592 -8.256 -0.602 1.00 0.57 H new ATOM 524 N THR A 34 4.978 -11.071 1.556 1.00 0.85 N ATOM 525 CA THR A 34 3.811 -12.011 1.440 1.00 0.74 C ATOM 526 C THR A 34 2.696 -11.404 0.584 1.00 0.42 C ATOM 527 O THR A 34 2.262 -10.292 0.810 1.00 0.66 O ATOM 528 CB THR A 34 3.242 -12.274 2.842 1.00 1.08 C ATOM 529 OG1 THR A 34 3.719 -13.524 3.318 1.00 1.31 O ATOM 530 CG2 THR A 34 1.705 -12.293 2.798 1.00 1.19 C ATOM 0 H THR A 34 5.446 -11.104 2.462 1.00 0.85 H new ATOM 0 HA THR A 34 4.160 -12.932 0.973 1.00 0.74 H new ATOM 0 HB THR A 34 3.566 -11.477 3.512 1.00 1.08 H new ATOM 0 HG1 THR A 34 3.194 -14.248 2.918 1.00 1.31 H new ATOM 0 HG21 THR A 34 1.315 -12.480 3.798 1.00 1.19 H new ATOM 0 HG22 THR A 34 1.339 -11.331 2.440 1.00 1.19 H new ATOM 0 HG23 THR A 34 1.370 -13.082 2.124 1.00 1.19 H new ATOM 538 N ASP A 35 2.206 -12.139 -0.373 1.00 0.59 N ATOM 539 CA ASP A 35 1.097 -11.615 -1.209 1.00 0.65 C ATOM 540 C ASP A 35 -0.193 -11.771 -0.410 1.00 0.63 C ATOM 541 O ASP A 35 -0.256 -12.543 0.522 1.00 1.01 O ATOM 542 CB ASP A 35 1.004 -12.417 -2.510 1.00 0.93 C ATOM 543 CG ASP A 35 0.749 -11.465 -3.679 1.00 1.69 C ATOM 544 OD1 ASP A 35 1.595 -10.622 -3.927 1.00 3.01 O ATOM 545 OD2 ASP A 35 -0.289 -11.594 -4.308 1.00 1.32 O ATOM 0 H ASP A 35 2.526 -13.078 -0.611 1.00 0.59 H new ATOM 0 HA ASP A 35 1.267 -10.569 -1.463 1.00 0.65 H new ATOM 0 HB2 ASP A 35 1.928 -12.972 -2.674 1.00 0.93 H new ATOM 0 HB3 ASP A 35 0.200 -13.149 -2.441 1.00 0.93 H new ATOM 550 N ILE A 36 -1.221 -11.048 -0.734 1.00 0.49 N ATOM 551 CA ILE A 36 -2.474 -11.196 0.054 1.00 0.39 C ATOM 552 C ILE A 36 -3.689 -11.096 -0.874 1.00 0.41 C ATOM 553 O ILE A 36 -4.761 -10.689 -0.474 1.00 0.63 O ATOM 554 CB ILE A 36 -2.524 -10.115 1.143 1.00 0.42 C ATOM 555 CG1 ILE A 36 -3.050 -8.800 0.558 1.00 0.47 C ATOM 556 CG2 ILE A 36 -1.116 -9.890 1.707 1.00 0.60 C ATOM 557 CD1 ILE A 36 -2.589 -7.637 1.438 1.00 0.88 C ATOM 0 H ILE A 36 -1.253 -10.371 -1.496 1.00 0.49 H new ATOM 0 HA ILE A 36 -2.493 -12.175 0.534 1.00 0.39 H new ATOM 0 HB ILE A 36 -3.192 -10.446 1.938 1.00 0.42 H new ATOM 0 HG12 ILE A 36 -2.683 -8.669 -0.460 1.00 0.47 H new ATOM 0 HG13 ILE A 36 -4.138 -8.822 0.504 1.00 0.47 H new ATOM 0 HG21 ILE A 36 -1.152 -9.122 2.480 1.00 0.60 H new ATOM 0 HG22 ILE A 36 -0.743 -10.820 2.136 1.00 0.60 H new ATOM 0 HG23 ILE A 36 -0.451 -9.567 0.906 1.00 0.60 H new ATOM 0 HD11 ILE A 36 -2.961 -6.699 1.026 1.00 0.88 H new ATOM 0 HD12 ILE A 36 -2.977 -7.769 2.448 1.00 0.88 H new ATOM 0 HD13 ILE A 36 -1.500 -7.613 1.468 1.00 0.88 H new ATOM 569 N PHE A 37 -3.531 -11.491 -2.109 1.00 0.34 N ATOM 570 CA PHE A 37 -4.673 -11.445 -3.066 1.00 0.51 C ATOM 571 C PHE A 37 -4.849 -12.824 -3.708 1.00 0.68 C ATOM 572 O PHE A 37 -5.300 -12.942 -4.829 1.00 0.89 O ATOM 573 CB PHE A 37 -4.387 -10.416 -4.163 1.00 0.64 C ATOM 574 CG PHE A 37 -4.250 -9.046 -3.551 1.00 0.59 C ATOM 575 CD1 PHE A 37 -5.382 -8.242 -3.373 1.00 0.71 C ATOM 576 CD2 PHE A 37 -2.990 -8.577 -3.163 1.00 0.63 C ATOM 577 CE1 PHE A 37 -5.254 -6.969 -2.807 1.00 0.67 C ATOM 578 CE2 PHE A 37 -2.861 -7.305 -2.595 1.00 0.76 C ATOM 579 CZ PHE A 37 -3.994 -6.501 -2.417 1.00 0.69 C ATOM 0 H PHE A 37 -2.657 -11.845 -2.497 1.00 0.34 H new ATOM 0 HA PHE A 37 -5.580 -11.164 -2.531 1.00 0.51 H new ATOM 0 HB2 PHE A 37 -3.473 -10.681 -4.694 1.00 0.64 H new ATOM 0 HB3 PHE A 37 -5.193 -10.418 -4.896 1.00 0.64 H new ATOM 0 HD1 PHE A 37 -6.354 -8.604 -3.673 1.00 0.71 H new ATOM 0 HD2 PHE A 37 -2.117 -9.197 -3.302 1.00 0.63 H new ATOM 0 HE1 PHE A 37 -6.127 -6.348 -2.671 1.00 0.67 H new ATOM 0 HE2 PHE A 37 -1.889 -6.943 -2.294 1.00 0.76 H new ATOM 0 HZ PHE A 37 -3.895 -5.519 -1.978 1.00 0.69 H new ATOM 589 N ALA A 38 -4.489 -13.867 -3.010 1.00 0.65 N ATOM 590 CA ALA A 38 -4.632 -15.233 -3.589 1.00 0.87 C ATOM 591 C ALA A 38 -6.079 -15.456 -4.032 1.00 1.81 C ATOM 592 O ALA A 38 -6.344 -16.146 -4.997 1.00 2.19 O ATOM 593 CB ALA A 38 -4.252 -16.277 -2.537 1.00 1.10 C ATOM 0 H ALA A 38 -4.103 -13.832 -2.066 1.00 0.65 H new ATOM 0 HA ALA A 38 -3.972 -15.330 -4.451 1.00 0.87 H new ATOM 0 HB1 ALA A 38 -4.357 -17.276 -2.961 1.00 1.10 H new ATOM 0 HB2 ALA A 38 -3.219 -16.121 -2.226 1.00 1.10 H new ATOM 0 HB3 ALA A 38 -4.909 -16.179 -1.673 1.00 1.10 H new ATOM 599 N ALA A 39 -7.018 -14.878 -3.335 1.00 2.22 N ATOM 600 CA ALA A 39 -8.446 -15.060 -3.718 1.00 3.14 C ATOM 601 C ALA A 39 -9.286 -13.930 -3.120 1.00 3.04 C ATOM 602 O ALA A 39 -8.793 -13.098 -2.385 1.00 3.26 O ATOM 603 CB ALA A 39 -8.949 -16.403 -3.184 1.00 3.74 C ATOM 0 H ALA A 39 -6.858 -14.288 -2.518 1.00 2.22 H new ATOM 0 HA ALA A 39 -8.534 -15.042 -4.804 1.00 3.14 H new ATOM 0 HB1 ALA A 39 -9.994 -16.537 -3.464 1.00 3.74 H new ATOM 0 HB2 ALA A 39 -8.353 -17.210 -3.610 1.00 3.74 H new ATOM 0 HB3 ALA A 39 -8.859 -16.419 -2.098 1.00 3.74 H new ATOM 609 N SER A 40 -10.554 -13.896 -3.426 1.00 2.86 N ATOM 610 CA SER A 40 -11.425 -12.824 -2.873 1.00 2.74 C ATOM 611 C SER A 40 -12.648 -13.460 -2.210 1.00 2.06 C ATOM 612 O SER A 40 -13.585 -13.863 -2.871 1.00 2.18 O ATOM 613 CB SER A 40 -11.880 -11.900 -4.003 1.00 3.26 C ATOM 614 OG SER A 40 -11.984 -10.570 -3.510 1.00 3.33 O ATOM 0 H SER A 40 -11.024 -14.565 -4.036 1.00 2.86 H new ATOM 0 HA SER A 40 -10.868 -12.245 -2.136 1.00 2.74 H new ATOM 0 HB2 SER A 40 -11.170 -11.939 -4.829 1.00 3.26 H new ATOM 0 HB3 SER A 40 -12.842 -12.231 -4.394 1.00 3.26 H new ATOM 0 HG SER A 40 -12.274 -9.975 -4.233 1.00 3.33 H new ATOM 620 N LYS A 41 -12.647 -13.558 -0.909 1.00 1.60 N ATOM 621 CA LYS A 41 -13.810 -14.172 -0.209 1.00 1.18 C ATOM 622 C LYS A 41 -14.303 -13.232 0.893 1.00 1.32 C ATOM 623 O LYS A 41 -15.323 -12.586 0.759 1.00 1.98 O ATOM 624 CB LYS A 41 -13.387 -15.507 0.407 1.00 0.94 C ATOM 625 CG LYS A 41 -14.303 -16.617 -0.110 1.00 1.12 C ATOM 626 CD LYS A 41 -14.442 -17.703 0.958 1.00 1.29 C ATOM 627 CE LYS A 41 -15.915 -17.855 1.342 1.00 3.15 C ATOM 628 NZ LYS A 41 -16.020 -18.641 2.604 1.00 3.99 N ATOM 0 H LYS A 41 -11.892 -13.240 -0.301 1.00 1.60 H new ATOM 0 HA LYS A 41 -14.615 -14.341 -0.924 1.00 1.18 H new ATOM 0 HB2 LYS A 41 -12.351 -15.726 0.150 1.00 0.94 H new ATOM 0 HB3 LYS A 41 -13.441 -15.452 1.494 1.00 0.94 H new ATOM 0 HG2 LYS A 41 -15.283 -16.209 -0.358 1.00 1.12 H new ATOM 0 HG3 LYS A 41 -13.894 -17.043 -1.026 1.00 1.12 H new ATOM 0 HD2 LYS A 41 -14.054 -18.650 0.582 1.00 1.29 H new ATOM 0 HD3 LYS A 41 -13.851 -17.442 1.836 1.00 1.29 H new ATOM 0 HE2 LYS A 41 -16.371 -16.874 1.473 1.00 3.15 H new ATOM 0 HE3 LYS A 41 -16.461 -18.356 0.542 1.00 3.15 H new ATOM 0 HZ1 LYS A 41 -17.021 -18.745 2.866 1.00 3.99 H new ATOM 0 HZ2 LYS A 41 -15.600 -19.582 2.463 1.00 3.99 H new ATOM 0 HZ3 LYS A 41 -15.513 -18.146 3.365 1.00 3.99 H new ATOM 642 N ASP A 42 -13.591 -13.149 1.985 1.00 1.00 N ATOM 643 CA ASP A 42 -14.031 -12.249 3.090 1.00 1.60 C ATOM 644 C ASP A 42 -13.178 -10.977 3.109 1.00 1.58 C ATOM 645 O ASP A 42 -13.189 -10.234 4.071 1.00 2.01 O ATOM 646 CB ASP A 42 -13.893 -12.976 4.429 1.00 2.27 C ATOM 647 CG ASP A 42 -15.254 -13.027 5.124 1.00 2.44 C ATOM 648 OD1 ASP A 42 -15.983 -13.976 4.888 1.00 1.84 O ATOM 649 OD2 ASP A 42 -15.545 -12.115 5.881 1.00 3.46 O ATOM 0 H ASP A 42 -12.727 -13.663 2.159 1.00 1.00 H new ATOM 0 HA ASP A 42 -15.073 -11.974 2.928 1.00 1.60 H new ATOM 0 HB2 ASP A 42 -13.516 -13.986 4.269 1.00 2.27 H new ATOM 0 HB3 ASP A 42 -13.169 -12.462 5.061 1.00 2.27 H new ATOM 654 N THR A 43 -12.454 -10.702 2.057 1.00 1.24 N ATOM 655 CA THR A 43 -11.631 -9.465 2.034 1.00 1.54 C ATOM 656 C THR A 43 -12.160 -8.542 0.945 1.00 1.58 C ATOM 657 O THR A 43 -11.990 -8.788 -0.233 1.00 2.01 O ATOM 658 CB THR A 43 -10.172 -9.804 1.742 1.00 1.55 C ATOM 659 OG1 THR A 43 -10.084 -10.470 0.490 1.00 1.44 O ATOM 660 CG2 THR A 43 -9.617 -10.708 2.845 1.00 1.38 C ATOM 0 H THR A 43 -12.399 -11.279 1.218 1.00 1.24 H new ATOM 0 HA THR A 43 -11.691 -8.976 3.006 1.00 1.54 H new ATOM 0 HB THR A 43 -9.588 -8.884 1.708 1.00 1.55 H new ATOM 0 HG1 THR A 43 -10.761 -10.110 -0.120 1.00 1.44 H new ATOM 0 HG21 THR A 43 -8.575 -10.946 2.630 1.00 1.38 H new ATOM 0 HG22 THR A 43 -9.682 -10.194 3.804 1.00 1.38 H new ATOM 0 HG23 THR A 43 -10.198 -11.629 2.888 1.00 1.38 H new ATOM 668 N THR A 44 -12.809 -7.486 1.331 1.00 1.29 N ATOM 669 CA THR A 44 -13.363 -6.546 0.317 1.00 1.51 C ATOM 670 C THR A 44 -12.415 -5.361 0.122 1.00 1.46 C ATOM 671 O THR A 44 -11.531 -5.400 -0.713 1.00 2.13 O ATOM 672 CB THR A 44 -14.749 -6.056 0.760 1.00 1.69 C ATOM 673 OG1 THR A 44 -14.901 -6.267 2.157 1.00 1.40 O ATOM 674 CG2 THR A 44 -15.838 -6.823 0.005 1.00 1.94 C ATOM 0 H THR A 44 -12.982 -7.230 2.303 1.00 1.29 H new ATOM 0 HA THR A 44 -13.463 -7.069 -0.634 1.00 1.51 H new ATOM 0 HB THR A 44 -14.842 -4.993 0.539 1.00 1.69 H new ATOM 0 HG1 THR A 44 -15.785 -5.953 2.441 1.00 1.40 H new ATOM 0 HG21 THR A 44 -16.819 -6.471 0.324 1.00 1.94 H new ATOM 0 HG22 THR A 44 -15.724 -6.657 -1.066 1.00 1.94 H new ATOM 0 HG23 THR A 44 -15.748 -7.888 0.219 1.00 1.94 H new ATOM 682 N GLU A 45 -12.573 -4.314 0.881 1.00 0.81 N ATOM 683 CA GLU A 45 -11.661 -3.150 0.728 1.00 0.78 C ATOM 684 C GLU A 45 -11.101 -2.801 2.100 1.00 0.66 C ATOM 685 O GLU A 45 -9.911 -2.642 2.273 1.00 0.58 O ATOM 686 CB GLU A 45 -12.416 -1.946 0.146 1.00 0.72 C ATOM 687 CG GLU A 45 -13.739 -1.735 0.887 1.00 0.42 C ATOM 688 CD GLU A 45 -14.594 -0.727 0.118 1.00 0.43 C ATOM 689 OE1 GLU A 45 -14.485 -0.693 -1.097 1.00 1.26 O ATOM 690 OE2 GLU A 45 -15.341 -0.005 0.757 1.00 0.83 O ATOM 0 H GLU A 45 -13.292 -4.215 1.598 1.00 0.81 H new ATOM 0 HA GLU A 45 -10.852 -3.403 0.042 1.00 0.78 H new ATOM 0 HB2 GLU A 45 -11.801 -1.050 0.226 1.00 0.72 H new ATOM 0 HB3 GLU A 45 -12.608 -2.107 -0.915 1.00 0.72 H new ATOM 0 HG2 GLU A 45 -14.270 -2.682 0.983 1.00 0.42 H new ATOM 0 HG3 GLU A 45 -13.549 -1.372 1.897 1.00 0.42 H new ATOM 697 N LYS A 46 -11.948 -2.715 3.085 1.00 0.66 N ATOM 698 CA LYS A 46 -11.461 -2.407 4.450 1.00 0.52 C ATOM 699 C LYS A 46 -10.648 -3.599 4.957 1.00 0.41 C ATOM 700 O LYS A 46 -9.736 -3.450 5.748 1.00 0.18 O ATOM 701 CB LYS A 46 -12.658 -2.155 5.372 1.00 0.54 C ATOM 702 CG LYS A 46 -13.457 -3.448 5.541 1.00 0.66 C ATOM 703 CD LYS A 46 -14.873 -3.111 6.012 1.00 0.97 C ATOM 704 CE LYS A 46 -15.890 -3.742 5.059 1.00 2.65 C ATOM 705 NZ LYS A 46 -16.037 -2.883 3.850 1.00 3.82 N ATOM 0 H LYS A 46 -12.956 -2.845 3.001 1.00 0.66 H new ATOM 0 HA LYS A 46 -10.834 -1.515 4.437 1.00 0.52 H new ATOM 0 HB2 LYS A 46 -12.313 -1.799 6.343 1.00 0.54 H new ATOM 0 HB3 LYS A 46 -13.294 -1.375 4.954 1.00 0.54 H new ATOM 0 HG2 LYS A 46 -13.495 -3.991 4.597 1.00 0.66 H new ATOM 0 HG3 LYS A 46 -12.967 -4.100 6.264 1.00 0.66 H new ATOM 0 HD2 LYS A 46 -15.029 -3.482 7.025 1.00 0.97 H new ATOM 0 HD3 LYS A 46 -15.010 -2.030 6.044 1.00 0.97 H new ATOM 0 HE2 LYS A 46 -15.563 -4.741 4.771 1.00 2.65 H new ATOM 0 HE3 LYS A 46 -16.852 -3.853 5.559 1.00 2.65 H new ATOM 0 HZ1 LYS A 46 -16.728 -3.311 3.202 1.00 3.82 H new ATOM 0 HZ2 LYS A 46 -16.367 -1.938 4.133 1.00 3.82 H new ATOM 0 HZ3 LYS A 46 -15.118 -2.799 3.370 1.00 3.82 H new ATOM 719 N GLU A 47 -10.955 -4.785 4.494 1.00 0.66 N ATOM 720 CA GLU A 47 -10.180 -5.969 4.946 1.00 0.67 C ATOM 721 C GLU A 47 -8.821 -5.964 4.250 1.00 0.56 C ATOM 722 O GLU A 47 -7.794 -6.171 4.866 1.00 0.42 O ATOM 723 CB GLU A 47 -10.937 -7.246 4.582 1.00 0.95 C ATOM 724 CG GLU A 47 -11.784 -7.701 5.770 1.00 1.11 C ATOM 725 CD GLU A 47 -10.869 -8.232 6.876 1.00 0.92 C ATOM 726 OE1 GLU A 47 -9.679 -8.343 6.629 1.00 2.07 O ATOM 727 OE2 GLU A 47 -11.374 -8.520 7.948 1.00 0.93 O ATOM 0 H GLU A 47 -11.703 -4.979 3.828 1.00 0.66 H new ATOM 0 HA GLU A 47 -10.043 -5.931 6.027 1.00 0.67 H new ATOM 0 HB2 GLU A 47 -11.574 -7.068 3.716 1.00 0.95 H new ATOM 0 HB3 GLU A 47 -10.233 -8.030 4.304 1.00 0.95 H new ATOM 0 HG2 GLU A 47 -12.380 -6.869 6.145 1.00 1.11 H new ATOM 0 HG3 GLU A 47 -12.482 -8.478 5.457 1.00 1.11 H new ATOM 734 N THR A 48 -8.807 -5.726 2.966 1.00 0.66 N ATOM 735 CA THR A 48 -7.513 -5.703 2.228 1.00 0.64 C ATOM 736 C THR A 48 -6.663 -4.513 2.692 1.00 0.50 C ATOM 737 O THR A 48 -5.462 -4.497 2.505 1.00 0.51 O ATOM 738 CB THR A 48 -7.778 -5.584 0.724 1.00 0.85 C ATOM 739 OG1 THR A 48 -9.047 -6.146 0.418 1.00 1.06 O ATOM 740 CG2 THR A 48 -6.689 -6.333 -0.046 1.00 0.67 C ATOM 0 H THR A 48 -9.635 -5.547 2.398 1.00 0.66 H new ATOM 0 HA THR A 48 -6.974 -6.629 2.431 1.00 0.64 H new ATOM 0 HB THR A 48 -7.769 -4.533 0.437 1.00 0.85 H new ATOM 0 HG1 THR A 48 -9.619 -5.461 0.012 1.00 1.06 H new ATOM 0 HG21 THR A 48 -6.877 -6.249 -1.116 1.00 0.67 H new ATOM 0 HG22 THR A 48 -5.716 -5.901 0.187 1.00 0.67 H new ATOM 0 HG23 THR A 48 -6.697 -7.384 0.242 1.00 0.67 H new ATOM 748 N PHE A 49 -7.260 -3.514 3.292 1.00 0.41 N ATOM 749 CA PHE A 49 -6.453 -2.346 3.751 1.00 0.43 C ATOM 750 C PHE A 49 -5.823 -2.658 5.110 1.00 0.32 C ATOM 751 O PHE A 49 -4.745 -2.193 5.421 1.00 0.48 O ATOM 752 CB PHE A 49 -7.337 -1.102 3.886 1.00 0.47 C ATOM 753 CG PHE A 49 -7.728 -0.566 2.523 1.00 0.60 C ATOM 754 CD1 PHE A 49 -6.808 -0.552 1.461 1.00 1.03 C ATOM 755 CD2 PHE A 49 -9.026 -0.079 2.323 1.00 0.95 C ATOM 756 CE1 PHE A 49 -7.192 -0.055 0.209 1.00 1.11 C ATOM 757 CE2 PHE A 49 -9.406 0.417 1.071 1.00 1.05 C ATOM 758 CZ PHE A 49 -8.491 0.428 0.015 1.00 0.86 C ATOM 0 H PHE A 49 -8.261 -3.457 3.482 1.00 0.41 H new ATOM 0 HA PHE A 49 -5.674 -2.153 3.013 1.00 0.43 H new ATOM 0 HB2 PHE A 49 -8.233 -1.348 4.455 1.00 0.47 H new ATOM 0 HB3 PHE A 49 -6.805 -0.332 4.445 1.00 0.47 H new ATOM 0 HD1 PHE A 49 -5.805 -0.924 1.610 1.00 1.03 H new ATOM 0 HD2 PHE A 49 -9.735 -0.086 3.137 1.00 0.95 H new ATOM 0 HE1 PHE A 49 -6.485 -0.045 -0.607 1.00 1.11 H new ATOM 0 HE2 PHE A 49 -10.408 0.792 0.921 1.00 1.05 H new ATOM 0 HZ PHE A 49 -8.786 0.809 -0.951 1.00 0.86 H new ATOM 768 N CYS A 50 -6.480 -3.437 5.927 1.00 0.24 N ATOM 769 CA CYS A 50 -5.896 -3.764 7.260 1.00 0.38 C ATOM 770 C CYS A 50 -4.700 -4.701 7.069 1.00 0.32 C ATOM 771 O CYS A 50 -3.622 -4.459 7.576 1.00 0.28 O ATOM 772 CB CYS A 50 -6.950 -4.449 8.132 1.00 0.56 C ATOM 773 SG CYS A 50 -6.295 -4.669 9.804 1.00 0.63 S ATOM 0 H CYS A 50 -7.388 -3.858 5.732 1.00 0.24 H new ATOM 0 HA CYS A 50 -5.569 -2.847 7.750 1.00 0.38 H new ATOM 0 HB2 CYS A 50 -7.859 -3.849 8.162 1.00 0.56 H new ATOM 0 HB3 CYS A 50 -7.219 -5.415 7.705 1.00 0.56 H new ATOM 778 N ARG A 51 -4.875 -5.764 6.335 1.00 0.32 N ATOM 779 CA ARG A 51 -3.738 -6.700 6.109 1.00 0.28 C ATOM 780 C ARG A 51 -2.639 -5.958 5.347 1.00 0.21 C ATOM 781 O ARG A 51 -1.490 -5.942 5.747 1.00 0.20 O ATOM 782 CB ARG A 51 -4.219 -7.901 5.288 1.00 0.33 C ATOM 783 CG ARG A 51 -5.329 -8.627 6.052 1.00 0.44 C ATOM 784 CD ARG A 51 -5.915 -9.740 5.179 1.00 0.55 C ATOM 785 NE ARG A 51 -4.873 -10.779 4.929 1.00 1.33 N ATOM 786 CZ ARG A 51 -5.194 -11.961 4.452 1.00 1.73 C ATOM 787 NH1 ARG A 51 -6.439 -12.274 4.183 1.00 1.36 N ATOM 788 NH2 ARG A 51 -4.254 -12.843 4.243 1.00 2.64 N ATOM 0 H ARG A 51 -5.752 -6.025 5.884 1.00 0.32 H new ATOM 0 HA ARG A 51 -3.350 -7.056 7.063 1.00 0.28 H new ATOM 0 HB2 ARG A 51 -4.588 -7.568 4.318 1.00 0.33 H new ATOM 0 HB3 ARG A 51 -3.389 -8.581 5.097 1.00 0.33 H new ATOM 0 HG2 ARG A 51 -4.932 -9.047 6.976 1.00 0.44 H new ATOM 0 HG3 ARG A 51 -6.111 -7.922 6.333 1.00 0.44 H new ATOM 0 HD2 ARG A 51 -6.778 -10.187 5.672 1.00 0.55 H new ATOM 0 HD3 ARG A 51 -6.267 -9.328 4.233 1.00 0.55 H new ATOM 0 HE ARG A 51 -3.896 -10.568 5.132 1.00 1.33 H new ATOM 0 HH11 ARG A 51 -7.182 -11.594 4.343 1.00 1.36 H new ATOM 0 HH12 ARG A 51 -6.664 -13.198 3.813 1.00 1.36 H new ATOM 0 HH21 ARG A 51 -3.282 -12.611 4.450 1.00 2.64 H new ATOM 0 HH22 ARG A 51 -4.491 -13.763 3.873 1.00 2.64 H new ATOM 802 N ALA A 52 -2.989 -5.329 4.259 1.00 0.19 N ATOM 803 CA ALA A 52 -1.976 -4.570 3.477 1.00 0.21 C ATOM 804 C ALA A 52 -1.421 -3.421 4.330 1.00 0.29 C ATOM 805 O ALA A 52 -0.371 -2.883 4.045 1.00 0.31 O ATOM 806 CB ALA A 52 -2.633 -3.999 2.218 1.00 0.26 C ATOM 0 H ALA A 52 -3.935 -5.309 3.878 1.00 0.19 H new ATOM 0 HA ALA A 52 -1.161 -5.236 3.195 1.00 0.21 H new ATOM 0 HB1 ALA A 52 -1.894 -3.442 1.642 1.00 0.26 H new ATOM 0 HB2 ALA A 52 -3.026 -4.814 1.611 1.00 0.26 H new ATOM 0 HB3 ALA A 52 -3.448 -3.333 2.503 1.00 0.26 H new ATOM 812 N ALA A 53 -2.110 -3.042 5.378 1.00 0.38 N ATOM 813 CA ALA A 53 -1.604 -1.936 6.238 1.00 0.47 C ATOM 814 C ALA A 53 -0.406 -2.443 7.038 1.00 0.38 C ATOM 815 O ALA A 53 0.603 -1.778 7.149 1.00 0.30 O ATOM 816 CB ALA A 53 -2.706 -1.478 7.195 1.00 0.64 C ATOM 0 H ALA A 53 -2.997 -3.451 5.672 1.00 0.38 H new ATOM 0 HA ALA A 53 -1.304 -1.093 5.616 1.00 0.47 H new ATOM 0 HB1 ALA A 53 -2.331 -0.669 7.822 1.00 0.64 H new ATOM 0 HB2 ALA A 53 -3.563 -1.125 6.621 1.00 0.64 H new ATOM 0 HB3 ALA A 53 -3.011 -2.313 7.825 1.00 0.64 H new ATOM 822 N THR A 54 -0.504 -3.623 7.587 1.00 0.41 N ATOM 823 CA THR A 54 0.641 -4.174 8.363 1.00 0.36 C ATOM 824 C THR A 54 1.832 -4.338 7.420 1.00 0.22 C ATOM 825 O THR A 54 2.954 -3.997 7.746 1.00 0.22 O ATOM 826 CB THR A 54 0.262 -5.535 8.953 1.00 0.43 C ATOM 827 OG1 THR A 54 -0.373 -5.345 10.210 1.00 0.62 O ATOM 828 CG2 THR A 54 1.525 -6.377 9.140 1.00 0.46 C ATOM 0 H THR A 54 -1.324 -4.227 7.532 1.00 0.41 H new ATOM 0 HA THR A 54 0.897 -3.497 9.178 1.00 0.36 H new ATOM 0 HB THR A 54 -0.420 -6.049 8.276 1.00 0.43 H new ATOM 0 HG1 THR A 54 -0.618 -6.216 10.588 1.00 0.62 H new ATOM 0 HG21 THR A 54 1.257 -7.346 9.560 1.00 0.46 H new ATOM 0 HG22 THR A 54 2.012 -6.521 8.176 1.00 0.46 H new ATOM 0 HG23 THR A 54 2.207 -5.864 9.818 1.00 0.46 H new ATOM 836 N VAL A 55 1.594 -4.847 6.241 1.00 0.15 N ATOM 837 CA VAL A 55 2.706 -5.021 5.268 1.00 0.14 C ATOM 838 C VAL A 55 3.314 -3.650 4.963 1.00 0.23 C ATOM 839 O VAL A 55 4.502 -3.522 4.735 1.00 0.24 O ATOM 840 CB VAL A 55 2.166 -5.646 3.981 1.00 0.28 C ATOM 841 CG1 VAL A 55 3.207 -5.511 2.869 1.00 0.74 C ATOM 842 CG2 VAL A 55 1.870 -7.130 4.222 1.00 0.37 C ATOM 0 H VAL A 55 0.677 -5.149 5.911 1.00 0.15 H new ATOM 0 HA VAL A 55 3.469 -5.676 5.688 1.00 0.14 H new ATOM 0 HB VAL A 55 1.251 -5.133 3.685 1.00 0.28 H new ATOM 0 HG11 VAL A 55 2.820 -5.957 1.953 1.00 0.74 H new ATOM 0 HG12 VAL A 55 3.421 -4.456 2.697 1.00 0.74 H new ATOM 0 HG13 VAL A 55 4.123 -6.024 3.164 1.00 0.74 H new ATOM 0 HG21 VAL A 55 1.485 -7.578 3.306 1.00 0.37 H new ATOM 0 HG22 VAL A 55 2.787 -7.640 4.518 1.00 0.37 H new ATOM 0 HG23 VAL A 55 1.128 -7.229 5.014 1.00 0.37 H new ATOM 852 N LEU A 56 2.510 -2.621 4.968 1.00 0.32 N ATOM 853 CA LEU A 56 3.041 -1.255 4.693 1.00 0.44 C ATOM 854 C LEU A 56 3.950 -0.840 5.851 1.00 0.41 C ATOM 855 O LEU A 56 4.938 -0.146 5.670 1.00 0.43 O ATOM 856 CB LEU A 56 1.879 -0.267 4.571 1.00 0.65 C ATOM 857 CG LEU A 56 1.806 0.258 3.136 1.00 0.86 C ATOM 858 CD1 LEU A 56 1.255 -0.836 2.219 1.00 0.54 C ATOM 859 CD2 LEU A 56 0.880 1.476 3.089 1.00 1.24 C ATOM 0 H LEU A 56 1.508 -2.668 5.151 1.00 0.32 H new ATOM 0 HA LEU A 56 3.605 -1.256 3.760 1.00 0.44 H new ATOM 0 HB2 LEU A 56 0.942 -0.756 4.839 1.00 0.65 H new ATOM 0 HB3 LEU A 56 2.017 0.561 5.266 1.00 0.65 H new ATOM 0 HG LEU A 56 2.803 0.543 2.801 1.00 0.86 H new ATOM 0 HD11 LEU A 56 1.203 -0.462 1.197 1.00 0.54 H new ATOM 0 HD12 LEU A 56 1.912 -1.705 2.254 1.00 0.54 H new ATOM 0 HD13 LEU A 56 0.257 -1.121 2.552 1.00 0.54 H new ATOM 0 HD21 LEU A 56 0.826 1.853 2.068 1.00 1.24 H new ATOM 0 HD22 LEU A 56 -0.117 1.188 3.423 1.00 1.24 H new ATOM 0 HD23 LEU A 56 1.271 2.256 3.743 1.00 1.24 H new ATOM 871 N ARG A 57 3.627 -1.275 7.041 1.00 0.40 N ATOM 872 CA ARG A 57 4.468 -0.930 8.217 1.00 0.50 C ATOM 873 C ARG A 57 5.875 -1.466 7.972 1.00 0.36 C ATOM 874 O ARG A 57 6.850 -0.770 8.137 1.00 0.35 O ATOM 875 CB ARG A 57 3.869 -1.565 9.479 1.00 0.62 C ATOM 876 CG ARG A 57 4.970 -2.248 10.298 1.00 2.00 C ATOM 877 CD ARG A 57 4.399 -2.699 11.643 1.00 2.27 C ATOM 878 NE ARG A 57 4.069 -1.505 12.475 1.00 1.50 N ATOM 879 CZ ARG A 57 3.305 -1.613 13.538 1.00 1.43 C ATOM 880 NH1 ARG A 57 2.802 -2.769 13.902 1.00 2.05 N ATOM 881 NH2 ARG A 57 3.039 -0.550 14.247 1.00 0.95 N ATOM 0 H ARG A 57 2.814 -1.856 7.246 1.00 0.40 H new ATOM 0 HA ARG A 57 4.505 0.150 8.357 1.00 0.50 H new ATOM 0 HB2 ARG A 57 3.377 -0.801 10.082 1.00 0.62 H new ATOM 0 HB3 ARG A 57 3.106 -2.293 9.202 1.00 0.62 H new ATOM 0 HG2 ARG A 57 5.365 -3.105 9.753 1.00 2.00 H new ATOM 0 HG3 ARG A 57 5.801 -1.560 10.456 1.00 2.00 H new ATOM 0 HD2 ARG A 57 3.505 -3.303 11.486 1.00 2.27 H new ATOM 0 HD3 ARG A 57 5.121 -3.328 12.163 1.00 2.27 H new ATOM 0 HE ARG A 57 4.442 -0.592 12.215 1.00 1.50 H new ATOM 0 HH11 ARG A 57 3.002 -3.607 13.356 1.00 2.05 H new ATOM 0 HH12 ARG A 57 2.211 -2.830 14.731 1.00 2.05 H new ATOM 0 HH21 ARG A 57 3.423 0.354 13.974 1.00 0.95 H new ATOM 0 HH22 ARG A 57 2.447 -0.624 15.074 1.00 0.95 H new ATOM 895 N GLN A 58 5.988 -2.697 7.557 1.00 0.28 N ATOM 896 CA GLN A 58 7.338 -3.260 7.279 1.00 0.28 C ATOM 897 C GLN A 58 7.914 -2.588 6.024 1.00 0.19 C ATOM 898 O GLN A 58 9.104 -2.595 5.795 1.00 0.42 O ATOM 899 CB GLN A 58 7.227 -4.769 7.049 1.00 0.32 C ATOM 900 CG GLN A 58 8.573 -5.434 7.353 1.00 1.43 C ATOM 901 CD GLN A 58 8.335 -6.782 8.034 1.00 0.80 C ATOM 902 OE1 GLN A 58 8.317 -6.870 9.246 1.00 1.21 O ATOM 903 NE2 GLN A 58 8.152 -7.847 7.301 1.00 1.68 N ATOM 0 H GLN A 58 5.208 -3.335 7.399 1.00 0.28 H new ATOM 0 HA GLN A 58 7.995 -3.075 8.129 1.00 0.28 H new ATOM 0 HB2 GLN A 58 6.450 -5.189 7.688 1.00 0.32 H new ATOM 0 HB3 GLN A 58 6.935 -4.970 6.018 1.00 0.32 H new ATOM 0 HG2 GLN A 58 9.137 -5.575 6.431 1.00 1.43 H new ATOM 0 HG3 GLN A 58 9.171 -4.790 7.997 1.00 1.43 H new ATOM 0 HE21 GLN A 58 8.167 -7.775 6.284 1.00 1.68 H new ATOM 0 HE22 GLN A 58 7.994 -8.751 7.746 1.00 1.68 H new ATOM 912 N PHE A 59 7.075 -2.009 5.207 1.00 0.16 N ATOM 913 CA PHE A 59 7.566 -1.341 3.969 1.00 0.31 C ATOM 914 C PHE A 59 8.539 -0.209 4.320 1.00 0.12 C ATOM 915 O PHE A 59 9.700 -0.256 3.983 1.00 0.34 O ATOM 916 CB PHE A 59 6.361 -0.755 3.222 1.00 0.77 C ATOM 917 CG PHE A 59 6.660 -0.591 1.746 1.00 0.66 C ATOM 918 CD1 PHE A 59 7.762 0.165 1.315 1.00 0.42 C ATOM 919 CD2 PHE A 59 5.812 -1.183 0.803 1.00 1.79 C ATOM 920 CE1 PHE A 59 8.012 0.321 -0.052 1.00 0.36 C ATOM 921 CE2 PHE A 59 6.062 -1.023 -0.564 1.00 1.98 C ATOM 922 CZ PHE A 59 7.162 -0.272 -0.991 1.00 1.05 C ATOM 0 H PHE A 59 6.065 -1.970 5.346 1.00 0.16 H new ATOM 0 HA PHE A 59 8.087 -2.070 3.348 1.00 0.31 H new ATOM 0 HB2 PHE A 59 5.497 -1.407 3.351 1.00 0.77 H new ATOM 0 HB3 PHE A 59 6.098 0.211 3.652 1.00 0.77 H new ATOM 0 HD1 PHE A 59 8.417 0.626 2.040 1.00 0.42 H new ATOM 0 HD2 PHE A 59 4.963 -1.764 1.131 1.00 1.79 H new ATOM 0 HE1 PHE A 59 8.862 0.900 -0.383 1.00 0.36 H new ATOM 0 HE2 PHE A 59 5.405 -1.479 -1.290 1.00 1.98 H new ATOM 0 HZ PHE A 59 7.355 -0.150 -2.047 1.00 1.05 H new ATOM 932 N TYR A 60 8.075 0.828 4.959 1.00 0.38 N ATOM 933 CA TYR A 60 9.000 1.964 5.267 1.00 0.66 C ATOM 934 C TYR A 60 9.676 1.792 6.632 1.00 0.55 C ATOM 935 O TYR A 60 10.801 2.196 6.826 1.00 1.14 O ATOM 936 CB TYR A 60 8.216 3.278 5.248 1.00 1.05 C ATOM 937 CG TYR A 60 7.301 3.342 6.446 1.00 0.50 C ATOM 938 CD1 TYR A 60 6.011 2.805 6.371 1.00 1.28 C ATOM 939 CD2 TYR A 60 7.742 3.940 7.632 1.00 0.61 C ATOM 940 CE1 TYR A 60 5.161 2.866 7.481 1.00 1.63 C ATOM 941 CE2 TYR A 60 6.893 4.002 8.743 1.00 0.96 C ATOM 942 CZ TYR A 60 5.602 3.464 8.667 1.00 1.36 C ATOM 943 OH TYR A 60 4.765 3.525 9.762 1.00 2.03 O ATOM 0 H TYR A 60 7.113 0.942 5.278 1.00 0.38 H new ATOM 0 HA TYR A 60 9.780 1.978 4.506 1.00 0.66 H new ATOM 0 HB2 TYR A 60 8.904 4.123 5.258 1.00 1.05 H new ATOM 0 HB3 TYR A 60 7.634 3.352 4.329 1.00 1.05 H new ATOM 0 HD1 TYR A 60 5.671 2.343 5.456 1.00 1.28 H new ATOM 0 HD2 TYR A 60 8.738 4.354 7.690 1.00 0.61 H new ATOM 0 HE1 TYR A 60 4.165 2.452 7.422 1.00 1.63 H new ATOM 0 HE2 TYR A 60 7.233 4.464 9.658 1.00 0.96 H new ATOM 0 HH TYR A 60 5.227 3.971 10.502 1.00 2.03 H new ATOM 953 N SER A 61 9.004 1.222 7.585 1.00 0.39 N ATOM 954 CA SER A 61 9.626 1.066 8.934 1.00 0.41 C ATOM 955 C SER A 61 10.930 0.268 8.842 1.00 0.47 C ATOM 956 O SER A 61 11.859 0.503 9.589 1.00 0.84 O ATOM 957 CB SER A 61 8.657 0.343 9.867 1.00 0.60 C ATOM 958 OG SER A 61 7.386 0.980 9.810 1.00 1.91 O ATOM 0 H SER A 61 8.056 0.857 7.495 1.00 0.39 H new ATOM 0 HA SER A 61 9.848 2.058 9.327 1.00 0.41 H new ATOM 0 HB2 SER A 61 8.566 -0.703 9.575 1.00 0.60 H new ATOM 0 HB3 SER A 61 9.038 0.357 10.888 1.00 0.60 H new ATOM 0 HG SER A 61 6.890 0.652 9.031 1.00 1.91 H new ATOM 964 N HIS A 62 11.010 -0.685 7.954 1.00 0.35 N ATOM 965 CA HIS A 62 12.259 -1.496 7.859 1.00 0.42 C ATOM 966 C HIS A 62 13.246 -0.882 6.860 1.00 0.58 C ATOM 967 O HIS A 62 14.279 -0.368 7.239 1.00 1.07 O ATOM 968 CB HIS A 62 11.920 -2.919 7.413 1.00 0.55 C ATOM 969 CG HIS A 62 11.793 -3.808 8.618 1.00 1.03 C ATOM 970 ND1 HIS A 62 11.862 -5.190 8.527 1.00 1.84 N ATOM 971 CD2 HIS A 62 11.603 -3.529 9.949 1.00 1.28 C ATOM 972 CE1 HIS A 62 11.715 -5.685 9.769 1.00 2.15 C ATOM 973 NE2 HIS A 62 11.553 -4.716 10.674 1.00 1.74 N ATOM 0 H HIS A 62 10.273 -0.936 7.296 1.00 0.35 H new ATOM 0 HA HIS A 62 12.724 -1.511 8.845 1.00 0.42 H new ATOM 0 HB2 HIS A 62 10.988 -2.921 6.847 1.00 0.55 H new ATOM 0 HB3 HIS A 62 12.697 -3.298 6.749 1.00 0.55 H new ATOM 0 HD2 HIS A 62 11.507 -2.539 10.369 1.00 1.28 H new ATOM 0 HE1 HIS A 62 11.727 -6.739 10.006 1.00 2.15 H new ATOM 0 HE2 HIS A 62 11.421 -4.823 11.680 1.00 1.74 H new ATOM 981 N HIS A 63 12.962 -0.961 5.587 1.00 0.58 N ATOM 982 CA HIS A 63 13.924 -0.410 4.587 1.00 1.08 C ATOM 983 C HIS A 63 13.611 1.052 4.256 1.00 0.62 C ATOM 984 O HIS A 63 13.373 1.403 3.118 1.00 0.32 O ATOM 985 CB HIS A 63 13.906 -1.264 3.311 1.00 1.76 C ATOM 986 CG HIS A 63 12.540 -1.263 2.675 1.00 1.02 C ATOM 987 ND1 HIS A 63 12.206 -0.392 1.650 1.00 2.50 N ATOM 988 CD2 HIS A 63 11.431 -2.053 2.871 1.00 0.81 C ATOM 989 CE1 HIS A 63 10.947 -0.674 1.271 1.00 3.48 C ATOM 990 NE2 HIS A 63 10.428 -1.679 1.981 1.00 2.41 N ATOM 0 H HIS A 63 12.116 -1.378 5.199 1.00 0.58 H new ATOM 0 HA HIS A 63 14.922 -0.444 5.025 1.00 1.08 H new ATOM 0 HB2 HIS A 63 14.640 -0.880 2.603 1.00 1.76 H new ATOM 0 HB3 HIS A 63 14.198 -2.287 3.550 1.00 1.76 H new ATOM 0 HD1 HIS A 63 12.806 0.332 1.255 1.00 2.50 H new ATOM 0 HD2 HIS A 63 11.351 -2.843 3.603 1.00 0.81 H new ATOM 0 HE1 HIS A 63 10.419 -0.151 0.487 1.00 3.48 H new ATOM 998 N GLU A 64 13.640 1.913 5.237 1.00 0.86 N ATOM 999 CA GLU A 64 13.377 3.358 4.967 1.00 0.49 C ATOM 1000 C GLU A 64 14.705 4.054 4.667 1.00 0.74 C ATOM 1001 O GLU A 64 14.787 4.926 3.826 1.00 0.92 O ATOM 1002 CB GLU A 64 12.720 4.004 6.191 1.00 0.71 C ATOM 1003 CG GLU A 64 13.402 5.338 6.513 1.00 0.77 C ATOM 1004 CD GLU A 64 12.605 6.068 7.596 1.00 0.86 C ATOM 1005 OE1 GLU A 64 11.396 5.910 7.623 1.00 0.83 O ATOM 1006 OE2 GLU A 64 13.218 6.774 8.380 1.00 1.67 O ATOM 0 H GLU A 64 13.834 1.681 6.211 1.00 0.86 H new ATOM 0 HA GLU A 64 12.706 3.457 4.114 1.00 0.49 H new ATOM 0 HB2 GLU A 64 11.659 4.166 6.001 1.00 0.71 H new ATOM 0 HB3 GLU A 64 12.792 3.334 7.048 1.00 0.71 H new ATOM 0 HG2 GLU A 64 14.423 5.164 6.852 1.00 0.77 H new ATOM 0 HG3 GLU A 64 13.465 5.953 5.615 1.00 0.77 H new ATOM 1013 N LYS A 65 15.747 3.674 5.356 1.00 1.14 N ATOM 1014 CA LYS A 65 17.073 4.311 5.120 1.00 1.57 C ATOM 1015 C LYS A 65 18.138 3.222 4.983 1.00 1.55 C ATOM 1016 O LYS A 65 19.250 3.365 5.450 1.00 2.08 O ATOM 1017 CB LYS A 65 17.421 5.217 6.303 1.00 2.25 C ATOM 1018 CG LYS A 65 18.560 6.161 5.912 1.00 2.81 C ATOM 1019 CD LYS A 65 18.829 7.136 7.059 1.00 3.08 C ATOM 1020 CE LYS A 65 20.172 6.801 7.711 1.00 2.66 C ATOM 1021 NZ LYS A 65 20.041 6.885 9.193 1.00 1.82 N ATOM 0 H LYS A 65 15.736 2.949 6.073 1.00 1.14 H new ATOM 0 HA LYS A 65 17.036 4.905 4.207 1.00 1.57 H new ATOM 0 HB2 LYS A 65 16.545 5.793 6.603 1.00 2.25 H new ATOM 0 HB3 LYS A 65 17.715 4.613 7.162 1.00 2.25 H new ATOM 0 HG2 LYS A 65 19.460 5.589 5.688 1.00 2.81 H new ATOM 0 HG3 LYS A 65 18.298 6.710 5.008 1.00 2.81 H new ATOM 0 HD2 LYS A 65 18.840 8.160 6.685 1.00 3.08 H new ATOM 0 HD3 LYS A 65 18.029 7.075 7.797 1.00 3.08 H new ATOM 0 HE2 LYS A 65 20.490 5.800 7.420 1.00 2.66 H new ATOM 0 HE3 LYS A 65 20.939 7.493 7.364 1.00 2.66 H new ATOM 0 HZ1 LYS A 65 20.954 6.657 9.636 1.00 1.82 H new ATOM 0 HZ2 LYS A 65 19.756 7.848 9.462 1.00 1.82 H new ATOM 0 HZ3 LYS A 65 19.321 6.208 9.517 1.00 1.82 H new ATOM 1035 N ASP A 66 17.804 2.133 4.348 1.00 1.01 N ATOM 1036 CA ASP A 66 18.796 1.034 4.186 1.00 1.09 C ATOM 1037 C ASP A 66 19.530 1.201 2.854 1.00 0.82 C ATOM 1038 O ASP A 66 19.210 2.063 2.061 1.00 0.95 O ATOM 1039 CB ASP A 66 18.070 -0.312 4.209 1.00 1.19 C ATOM 1040 CG ASP A 66 17.646 -0.635 5.643 1.00 1.93 C ATOM 1041 OD1 ASP A 66 16.932 0.165 6.223 1.00 2.66 O ATOM 1042 OD2 ASP A 66 18.046 -1.677 6.138 1.00 2.30 O ATOM 0 H ASP A 66 16.888 1.957 3.935 1.00 1.01 H new ATOM 0 HA ASP A 66 19.518 1.070 5.002 1.00 1.09 H new ATOM 0 HB2 ASP A 66 17.196 -0.278 3.558 1.00 1.19 H new ATOM 0 HB3 ASP A 66 18.722 -1.096 3.825 1.00 1.19 H new ATOM 1047 N THR A 67 20.515 0.384 2.605 1.00 0.49 N ATOM 1048 CA THR A 67 21.276 0.498 1.329 1.00 0.36 C ATOM 1049 C THR A 67 20.628 -0.382 0.253 1.00 0.16 C ATOM 1050 O THR A 67 20.774 -0.138 -0.928 1.00 0.31 O ATOM 1051 CB THR A 67 22.718 0.041 1.557 1.00 0.42 C ATOM 1052 OG1 THR A 67 23.000 0.048 2.950 1.00 0.78 O ATOM 1053 CG2 THR A 67 23.678 0.987 0.835 1.00 1.49 C ATOM 0 H THR A 67 20.827 -0.359 3.231 1.00 0.49 H new ATOM 0 HA THR A 67 21.266 1.536 0.997 1.00 0.36 H new ATOM 0 HB THR A 67 22.845 -0.968 1.164 1.00 0.42 H new ATOM 0 HG1 THR A 67 23.923 -0.246 3.098 1.00 0.78 H new ATOM 0 HG21 THR A 67 24.704 0.659 0.999 1.00 1.49 H new ATOM 0 HG22 THR A 67 23.461 0.980 -0.233 1.00 1.49 H new ATOM 0 HG23 THR A 67 23.554 1.998 1.224 1.00 1.49 H new ATOM 1061 N ARG A 68 19.922 -1.407 0.648 1.00 0.34 N ATOM 1062 CA ARG A 68 19.276 -2.298 -0.357 1.00 0.56 C ATOM 1063 C ARG A 68 18.405 -1.467 -1.304 1.00 0.57 C ATOM 1064 O ARG A 68 18.572 -1.506 -2.507 1.00 0.65 O ATOM 1065 CB ARG A 68 18.406 -3.330 0.362 1.00 0.78 C ATOM 1066 CG ARG A 68 19.048 -4.714 0.235 1.00 0.61 C ATOM 1067 CD ARG A 68 20.093 -4.896 1.337 1.00 1.72 C ATOM 1068 NE ARG A 68 21.462 -4.961 0.728 1.00 2.46 N ATOM 1069 CZ ARG A 68 21.747 -5.789 -0.251 1.00 2.61 C ATOM 1070 NH1 ARG A 68 20.930 -6.759 -0.584 1.00 1.85 N ATOM 1071 NH2 ARG A 68 22.897 -5.688 -0.860 1.00 4.01 N ATOM 0 H ARG A 68 19.765 -1.665 1.622 1.00 0.34 H new ATOM 0 HA ARG A 68 20.048 -2.808 -0.934 1.00 0.56 H new ATOM 0 HB2 ARG A 68 18.298 -3.062 1.413 1.00 0.78 H new ATOM 0 HB3 ARG A 68 17.405 -3.341 -0.068 1.00 0.78 H new ATOM 0 HG2 ARG A 68 18.285 -5.489 0.311 1.00 0.61 H new ATOM 0 HG3 ARG A 68 19.514 -4.822 -0.744 1.00 0.61 H new ATOM 0 HD2 ARG A 68 20.038 -4.069 2.044 1.00 1.72 H new ATOM 0 HD3 ARG A 68 19.890 -5.809 1.897 1.00 1.72 H new ATOM 0 HE ARG A 68 22.193 -4.345 1.084 1.00 2.46 H new ATOM 0 HH11 ARG A 68 20.052 -6.882 -0.079 1.00 1.85 H new ATOM 0 HH12 ARG A 68 21.172 -7.390 -1.348 1.00 1.85 H new ATOM 0 HH21 ARG A 68 23.564 -4.971 -0.574 1.00 4.01 H new ATOM 0 HH22 ARG A 68 23.129 -6.326 -1.622 1.00 4.01 H new ATOM 1085 N CYS A 69 17.476 -0.718 -0.775 1.00 0.52 N ATOM 1086 CA CYS A 69 16.598 0.110 -1.653 1.00 0.54 C ATOM 1087 C CYS A 69 17.397 1.276 -2.246 1.00 0.56 C ATOM 1088 O CYS A 69 17.025 1.835 -3.259 1.00 0.75 O ATOM 1089 CB CYS A 69 15.426 0.659 -0.836 1.00 0.48 C ATOM 1090 SG CYS A 69 13.875 -0.052 -1.444 1.00 1.38 S ATOM 0 H CYS A 69 17.287 -0.643 0.224 1.00 0.52 H new ATOM 0 HA CYS A 69 16.219 -0.512 -2.464 1.00 0.54 H new ATOM 0 HB2 CYS A 69 15.560 0.417 0.218 1.00 0.48 H new ATOM 0 HB3 CYS A 69 15.394 1.746 -0.912 1.00 0.48 H new ATOM 1095 N LEU A 70 18.485 1.657 -1.630 1.00 0.59 N ATOM 1096 CA LEU A 70 19.285 2.790 -2.175 1.00 0.95 C ATOM 1097 C LEU A 70 20.142 2.294 -3.355 1.00 1.35 C ATOM 1098 O LEU A 70 19.646 2.134 -4.452 1.00 2.14 O ATOM 1099 CB LEU A 70 20.167 3.373 -1.066 1.00 0.70 C ATOM 1100 CG LEU A 70 19.287 4.073 -0.030 1.00 0.73 C ATOM 1101 CD1 LEU A 70 20.158 4.591 1.116 1.00 0.33 C ATOM 1102 CD2 LEU A 70 18.564 5.251 -0.689 1.00 1.38 C ATOM 0 H LEU A 70 18.852 1.234 -0.777 1.00 0.59 H new ATOM 0 HA LEU A 70 18.620 3.574 -2.536 1.00 0.95 H new ATOM 0 HB2 LEU A 70 20.745 2.580 -0.592 1.00 0.70 H new ATOM 0 HB3 LEU A 70 20.882 4.079 -1.489 1.00 0.70 H new ATOM 0 HG LEU A 70 18.555 3.366 0.360 1.00 0.73 H new ATOM 0 HD11 LEU A 70 19.530 5.090 1.854 1.00 0.33 H new ATOM 0 HD12 LEU A 70 20.676 3.755 1.586 1.00 0.33 H new ATOM 0 HD13 LEU A 70 20.890 5.298 0.726 1.00 0.33 H new ATOM 0 HD21 LEU A 70 17.936 5.751 0.048 1.00 1.38 H new ATOM 0 HD22 LEU A 70 19.298 5.956 -1.079 1.00 1.38 H new ATOM 0 HD23 LEU A 70 17.943 4.885 -1.506 1.00 1.38 H new ATOM 1114 N GLY A 71 21.422 2.053 -3.161 1.00 1.00 N ATOM 1115 CA GLY A 71 22.263 1.581 -4.301 1.00 1.42 C ATOM 1116 C GLY A 71 22.836 2.786 -5.068 1.00 1.15 C ATOM 1117 O GLY A 71 23.692 2.641 -5.917 1.00 2.71 O ATOM 0 H GLY A 71 21.911 2.163 -2.272 1.00 1.00 H new ATOM 0 HA2 GLY A 71 23.075 0.956 -3.930 1.00 1.42 H new ATOM 0 HA3 GLY A 71 21.667 0.963 -4.972 1.00 1.42 H new ATOM 1121 N ALA A 72 22.362 3.973 -4.778 1.00 0.96 N ATOM 1122 CA ALA A 72 22.852 5.185 -5.474 1.00 2.00 C ATOM 1123 C ALA A 72 22.161 6.378 -4.821 1.00 2.57 C ATOM 1124 O ALA A 72 21.116 6.817 -5.253 1.00 4.36 O ATOM 1125 CB ALA A 72 22.486 5.118 -6.957 1.00 3.61 C ATOM 0 H ALA A 72 21.644 4.147 -4.075 1.00 0.96 H new ATOM 0 HA ALA A 72 23.936 5.270 -5.398 1.00 2.00 H new ATOM 0 HB1 ALA A 72 22.850 6.013 -7.462 1.00 3.61 H new ATOM 0 HB2 ALA A 72 22.944 4.236 -7.405 1.00 3.61 H new ATOM 0 HB3 ALA A 72 21.403 5.057 -7.062 1.00 3.61 H new ATOM 1131 N THR A 73 22.719 6.879 -3.758 1.00 1.92 N ATOM 1132 CA THR A 73 22.080 8.017 -3.029 1.00 3.27 C ATOM 1133 C THR A 73 22.228 9.353 -3.775 1.00 1.55 C ATOM 1134 O THR A 73 21.936 10.396 -3.227 1.00 2.00 O ATOM 1135 CB THR A 73 22.716 8.141 -1.645 1.00 5.35 C ATOM 1136 OG1 THR A 73 24.127 8.021 -1.760 1.00 5.64 O ATOM 1137 CG2 THR A 73 22.177 7.033 -0.742 1.00 7.15 C ATOM 0 H THR A 73 23.597 6.550 -3.356 1.00 1.92 H new ATOM 0 HA THR A 73 21.014 7.803 -2.953 1.00 3.27 H new ATOM 0 HB THR A 73 22.472 9.112 -1.214 1.00 5.35 H new ATOM 0 HG1 THR A 73 24.536 8.102 -0.873 1.00 5.64 H new ATOM 0 HG21 THR A 73 22.628 7.118 0.247 1.00 7.15 H new ATOM 0 HG22 THR A 73 21.095 7.128 -0.656 1.00 7.15 H new ATOM 0 HG23 THR A 73 22.423 6.062 -1.171 1.00 7.15 H new ATOM 1145 N ALA A 74 22.653 9.359 -5.008 1.00 1.16 N ATOM 1146 CA ALA A 74 22.762 10.654 -5.721 1.00 1.49 C ATOM 1147 C ALA A 74 21.355 11.106 -6.124 1.00 1.36 C ATOM 1148 O ALA A 74 20.797 12.021 -5.550 1.00 1.50 O ATOM 1149 CB ALA A 74 23.631 10.485 -6.969 1.00 3.21 C ATOM 0 H ALA A 74 22.925 8.534 -5.543 1.00 1.16 H new ATOM 0 HA ALA A 74 23.222 11.401 -5.073 1.00 1.49 H new ATOM 0 HB1 ALA A 74 23.709 11.439 -7.490 1.00 3.21 H new ATOM 0 HB2 ALA A 74 24.626 10.149 -6.677 1.00 3.21 H new ATOM 0 HB3 ALA A 74 23.178 9.746 -7.630 1.00 3.21 H new ATOM 1155 N GLN A 75 20.777 10.466 -7.104 1.00 1.46 N ATOM 1156 CA GLN A 75 19.404 10.849 -7.545 1.00 1.36 C ATOM 1157 C GLN A 75 18.352 10.010 -6.802 1.00 1.09 C ATOM 1158 O GLN A 75 17.298 10.499 -6.436 1.00 0.96 O ATOM 1159 CB GLN A 75 19.272 10.607 -9.051 1.00 1.58 C ATOM 1160 CG GLN A 75 18.598 11.816 -9.705 1.00 2.07 C ATOM 1161 CD GLN A 75 19.062 11.937 -11.159 1.00 2.02 C ATOM 1162 OE1 GLN A 75 18.254 12.033 -12.060 1.00 2.93 O ATOM 1163 NE2 GLN A 75 20.339 11.935 -11.427 1.00 1.40 N ATOM 0 H GLN A 75 21.197 9.693 -7.620 1.00 1.46 H new ATOM 0 HA GLN A 75 19.240 11.903 -7.320 1.00 1.36 H new ATOM 0 HB2 GLN A 75 20.256 10.443 -9.491 1.00 1.58 H new ATOM 0 HB3 GLN A 75 18.686 9.707 -9.235 1.00 1.58 H new ATOM 0 HG2 GLN A 75 17.514 11.706 -9.666 1.00 2.07 H new ATOM 0 HG3 GLN A 75 18.846 12.725 -9.156 1.00 2.07 H new ATOM 0 HE21 GLN A 75 21.019 11.854 -10.671 1.00 1.40 H new ATOM 0 HE22 GLN A 75 20.658 12.014 -12.393 1.00 1.40 H new ATOM 1172 N GLN A 76 18.618 8.746 -6.594 1.00 1.08 N ATOM 1173 CA GLN A 76 17.621 7.875 -5.898 1.00 0.94 C ATOM 1174 C GLN A 76 17.398 8.369 -4.468 1.00 0.74 C ATOM 1175 O GLN A 76 16.333 8.205 -3.908 1.00 0.71 O ATOM 1176 CB GLN A 76 18.122 6.425 -5.839 1.00 1.10 C ATOM 1177 CG GLN A 76 18.570 5.955 -7.226 1.00 0.63 C ATOM 1178 CD GLN A 76 17.472 5.097 -7.855 1.00 1.25 C ATOM 1179 OE1 GLN A 76 16.626 5.598 -8.570 1.00 2.36 O ATOM 1180 NE2 GLN A 76 17.447 3.813 -7.617 1.00 1.36 N ATOM 0 H GLN A 76 19.480 8.279 -6.875 1.00 1.08 H new ATOM 0 HA GLN A 76 16.687 7.918 -6.458 1.00 0.94 H new ATOM 0 HB2 GLN A 76 18.953 6.349 -5.137 1.00 1.10 H new ATOM 0 HB3 GLN A 76 17.330 5.775 -5.467 1.00 1.10 H new ATOM 0 HG2 GLN A 76 18.783 6.815 -7.861 1.00 0.63 H new ATOM 0 HG3 GLN A 76 19.493 5.381 -7.146 1.00 0.63 H new ATOM 0 HE21 GLN A 76 18.156 3.392 -7.017 1.00 1.36 H new ATOM 0 HE22 GLN A 76 16.718 3.232 -8.031 1.00 1.36 H new ATOM 1189 N PHE A 77 18.392 8.955 -3.865 1.00 0.71 N ATOM 1190 CA PHE A 77 18.227 9.438 -2.466 1.00 0.60 C ATOM 1191 C PHE A 77 17.081 10.451 -2.397 1.00 0.65 C ATOM 1192 O PHE A 77 16.215 10.369 -1.547 1.00 0.60 O ATOM 1193 CB PHE A 77 19.514 10.115 -1.999 1.00 0.73 C ATOM 1194 CG PHE A 77 19.268 10.779 -0.667 1.00 1.48 C ATOM 1195 CD1 PHE A 77 18.933 10.003 0.448 1.00 2.14 C ATOM 1196 CD2 PHE A 77 19.369 12.169 -0.549 1.00 2.54 C ATOM 1197 CE1 PHE A 77 18.699 10.619 1.683 1.00 3.11 C ATOM 1198 CE2 PHE A 77 19.136 12.786 0.686 1.00 3.44 C ATOM 1199 CZ PHE A 77 18.801 12.011 1.802 1.00 3.56 C ATOM 0 H PHE A 77 19.310 9.121 -4.278 1.00 0.71 H new ATOM 0 HA PHE A 77 18.003 8.586 -1.824 1.00 0.60 H new ATOM 0 HB2 PHE A 77 20.314 9.380 -1.911 1.00 0.73 H new ATOM 0 HB3 PHE A 77 19.838 10.853 -2.733 1.00 0.73 H new ATOM 0 HD1 PHE A 77 18.855 8.930 0.356 1.00 2.14 H new ATOM 0 HD2 PHE A 77 19.627 12.767 -1.411 1.00 2.54 H new ATOM 0 HE1 PHE A 77 18.440 10.021 2.544 1.00 3.11 H new ATOM 0 HE2 PHE A 77 19.215 13.859 0.777 1.00 3.44 H new ATOM 0 HZ PHE A 77 18.621 12.486 2.755 1.00 3.56 H new ATOM 1209 N HIS A 78 17.076 11.414 -3.279 1.00 0.78 N ATOM 1210 CA HIS A 78 15.993 12.440 -3.260 1.00 0.84 C ATOM 1211 C HIS A 78 14.650 11.770 -3.538 1.00 0.68 C ATOM 1212 O HIS A 78 13.673 12.005 -2.855 1.00 0.55 O ATOM 1213 CB HIS A 78 16.270 13.493 -4.334 1.00 1.06 C ATOM 1214 CG HIS A 78 15.244 14.588 -4.238 1.00 1.15 C ATOM 1215 ND1 HIS A 78 14.412 14.729 -3.138 1.00 0.51 N ATOM 1216 CD2 HIS A 78 14.904 15.604 -5.098 1.00 2.46 C ATOM 1217 CE1 HIS A 78 13.620 15.793 -3.363 1.00 0.47 C ATOM 1218 NE2 HIS A 78 13.878 16.363 -4.543 1.00 1.89 N ATOM 0 H HIS A 78 17.775 11.535 -4.012 1.00 0.78 H new ATOM 0 HA HIS A 78 15.963 12.918 -2.281 1.00 0.84 H new ATOM 0 HB2 HIS A 78 17.271 13.905 -4.205 1.00 1.06 H new ATOM 0 HB3 HIS A 78 16.239 13.036 -5.323 1.00 1.06 H new ATOM 0 HD2 HIS A 78 15.363 15.786 -6.059 1.00 2.46 H new ATOM 0 HE1 HIS A 78 12.867 16.144 -2.673 1.00 0.47 H new ATOM 0 HE2 HIS A 78 13.421 17.179 -4.950 1.00 1.89 H new ATOM 1226 N ARG A 79 14.595 10.935 -4.536 1.00 0.72 N ATOM 1227 CA ARG A 79 13.314 10.245 -4.859 1.00 0.66 C ATOM 1228 C ARG A 79 12.940 9.259 -3.740 1.00 0.47 C ATOM 1229 O ARG A 79 11.833 8.758 -3.694 1.00 0.49 O ATOM 1230 CB ARG A 79 13.473 9.481 -6.174 1.00 0.84 C ATOM 1231 CG ARG A 79 13.424 10.465 -7.344 1.00 0.66 C ATOM 1232 CD ARG A 79 12.123 10.266 -8.124 1.00 1.46 C ATOM 1233 NE ARG A 79 11.095 11.229 -7.631 1.00 2.71 N ATOM 1234 CZ ARG A 79 9.993 11.449 -8.312 1.00 3.62 C ATOM 1235 NH1 ARG A 79 9.760 10.834 -9.447 1.00 3.55 N ATOM 1236 NH2 ARG A 79 9.113 12.296 -7.851 1.00 4.88 N ATOM 0 H ARG A 79 15.381 10.700 -5.143 1.00 0.72 H new ATOM 0 HA ARG A 79 12.523 10.989 -4.952 1.00 0.66 H new ATOM 0 HB2 ARG A 79 14.419 8.939 -6.180 1.00 0.84 H new ATOM 0 HB3 ARG A 79 12.680 8.740 -6.275 1.00 0.84 H new ATOM 0 HG2 ARG A 79 13.486 11.489 -6.975 1.00 0.66 H new ATOM 0 HG3 ARG A 79 14.281 10.310 -8.000 1.00 0.66 H new ATOM 0 HD2 ARG A 79 12.298 10.418 -9.189 1.00 1.46 H new ATOM 0 HD3 ARG A 79 11.766 9.243 -8.003 1.00 1.46 H new ATOM 0 HE ARG A 79 11.250 11.724 -6.753 1.00 2.71 H new ATOM 0 HH11 ARG A 79 10.441 10.170 -9.817 1.00 3.55 H new ATOM 0 HH12 ARG A 79 8.898 11.019 -9.960 1.00 3.55 H new ATOM 0 HH21 ARG A 79 9.284 12.780 -6.970 1.00 4.88 H new ATOM 0 HH22 ARG A 79 8.254 12.474 -8.372 1.00 4.88 H new ATOM 1250 N HIS A 80 13.847 8.967 -2.842 1.00 0.45 N ATOM 1251 CA HIS A 80 13.532 8.008 -1.745 1.00 0.39 C ATOM 1252 C HIS A 80 12.910 8.758 -0.562 1.00 0.40 C ATOM 1253 O HIS A 80 12.085 8.227 0.155 1.00 0.40 O ATOM 1254 CB HIS A 80 14.824 7.322 -1.294 1.00 0.40 C ATOM 1255 CG HIS A 80 14.505 6.197 -0.346 1.00 0.43 C ATOM 1256 ND1 HIS A 80 13.331 5.463 -0.433 1.00 0.55 N ATOM 1257 CD2 HIS A 80 15.201 5.668 0.712 1.00 0.69 C ATOM 1258 CE1 HIS A 80 13.358 4.541 0.547 1.00 0.51 C ATOM 1259 NE2 HIS A 80 14.475 4.621 1.273 1.00 0.69 N ATOM 0 H HIS A 80 14.791 9.352 -2.823 1.00 0.45 H new ATOM 0 HA HIS A 80 12.824 7.262 -2.105 1.00 0.39 H new ATOM 0 HB2 HIS A 80 15.363 6.937 -2.160 1.00 0.40 H new ATOM 0 HB3 HIS A 80 15.478 8.045 -0.807 1.00 0.40 H new ATOM 0 HD2 HIS A 80 16.165 6.012 1.057 1.00 0.69 H new ATOM 0 HE1 HIS A 80 12.571 3.823 0.724 1.00 0.51 H new ATOM 0 HE2 HIS A 80 14.740 4.040 2.068 1.00 0.69 H new ATOM 1267 N LYS A 81 13.300 9.985 -0.351 1.00 0.54 N ATOM 1268 CA LYS A 81 12.730 10.761 0.789 1.00 0.58 C ATOM 1269 C LYS A 81 11.209 10.849 0.639 1.00 0.42 C ATOM 1270 O LYS A 81 10.470 10.683 1.590 1.00 0.25 O ATOM 1271 CB LYS A 81 13.327 12.169 0.797 1.00 0.82 C ATOM 1272 CG LYS A 81 14.562 12.195 1.701 1.00 1.06 C ATOM 1273 CD LYS A 81 14.558 13.477 2.537 1.00 0.93 C ATOM 1274 CE LYS A 81 15.942 14.127 2.484 1.00 1.96 C ATOM 1275 NZ LYS A 81 15.834 15.560 2.878 1.00 2.48 N ATOM 0 H LYS A 81 13.987 10.484 -0.917 1.00 0.54 H new ATOM 0 HA LYS A 81 12.972 10.260 1.726 1.00 0.58 H new ATOM 0 HB2 LYS A 81 13.598 12.466 -0.216 1.00 0.82 H new ATOM 0 HB3 LYS A 81 12.588 12.887 1.152 1.00 0.82 H new ATOM 0 HG2 LYS A 81 14.566 11.323 2.354 1.00 1.06 H new ATOM 0 HG3 LYS A 81 15.468 12.145 1.097 1.00 1.06 H new ATOM 0 HD2 LYS A 81 13.805 14.168 2.158 1.00 0.93 H new ATOM 0 HD3 LYS A 81 14.291 13.250 3.569 1.00 0.93 H new ATOM 0 HE2 LYS A 81 16.626 13.605 3.153 1.00 1.96 H new ATOM 0 HE3 LYS A 81 16.355 14.045 1.479 1.00 1.96 H new ATOM 0 HZ1 LYS A 81 16.775 16.002 2.842 1.00 2.48 H new ATOM 0 HZ2 LYS A 81 15.195 16.053 2.222 1.00 2.48 H new ATOM 0 HZ3 LYS A 81 15.457 15.627 3.845 1.00 2.48 H new ATOM 1289 N GLN A 82 10.738 11.110 -0.547 1.00 0.57 N ATOM 1290 CA GLN A 82 9.265 11.208 -0.765 1.00 0.59 C ATOM 1291 C GLN A 82 8.632 9.810 -0.733 1.00 0.40 C ATOM 1292 O GLN A 82 7.444 9.665 -0.535 1.00 0.41 O ATOM 1293 CB GLN A 82 8.996 11.859 -2.123 1.00 0.83 C ATOM 1294 CG GLN A 82 9.765 13.179 -2.217 1.00 0.51 C ATOM 1295 CD GLN A 82 9.012 14.147 -3.131 1.00 0.72 C ATOM 1296 OE1 GLN A 82 8.158 13.741 -3.894 1.00 1.02 O ATOM 1297 NE2 GLN A 82 9.293 15.421 -3.084 1.00 1.78 N ATOM 0 H GLN A 82 11.309 11.260 -1.378 1.00 0.57 H new ATOM 0 HA GLN A 82 8.826 11.814 0.028 1.00 0.59 H new ATOM 0 HB2 GLN A 82 9.302 11.189 -2.926 1.00 0.83 H new ATOM 0 HB3 GLN A 82 7.928 12.038 -2.247 1.00 0.83 H new ATOM 0 HG2 GLN A 82 9.881 13.615 -1.225 1.00 0.51 H new ATOM 0 HG3 GLN A 82 10.767 13.001 -2.606 1.00 0.51 H new ATOM 0 HE21 GLN A 82 10.010 15.762 -2.443 1.00 1.78 H new ATOM 0 HE22 GLN A 82 8.796 16.076 -3.688 1.00 1.78 H new ATOM 1306 N LEU A 83 9.412 8.779 -0.933 1.00 0.41 N ATOM 1307 CA LEU A 83 8.847 7.398 -0.918 1.00 0.41 C ATOM 1308 C LEU A 83 8.414 7.027 0.505 1.00 0.40 C ATOM 1309 O LEU A 83 7.317 6.550 0.727 1.00 0.37 O ATOM 1310 CB LEU A 83 9.919 6.415 -1.397 1.00 0.58 C ATOM 1311 CG LEU A 83 9.285 5.050 -1.666 1.00 0.41 C ATOM 1312 CD1 LEU A 83 10.040 4.349 -2.797 1.00 1.21 C ATOM 1313 CD2 LEU A 83 9.364 4.196 -0.399 1.00 0.83 C ATOM 0 H LEU A 83 10.416 8.835 -1.106 1.00 0.41 H new ATOM 0 HA LEU A 83 7.980 7.353 -1.577 1.00 0.41 H new ATOM 0 HB2 LEU A 83 10.392 6.792 -2.304 1.00 0.58 H new ATOM 0 HB3 LEU A 83 10.702 6.321 -0.644 1.00 0.58 H new ATOM 0 HG LEU A 83 8.242 5.184 -1.954 1.00 0.41 H new ATOM 0 HD11 LEU A 83 9.587 3.376 -2.988 1.00 1.21 H new ATOM 0 HD12 LEU A 83 9.989 4.957 -3.700 1.00 1.21 H new ATOM 0 HD13 LEU A 83 11.083 4.214 -2.509 1.00 1.21 H new ATOM 0 HD21 LEU A 83 8.913 3.222 -0.588 1.00 0.83 H new ATOM 0 HD22 LEU A 83 10.408 4.063 -0.114 1.00 0.83 H new ATOM 0 HD23 LEU A 83 8.828 4.694 0.409 1.00 0.83 H new ATOM 1325 N ILE A 84 9.270 7.232 1.469 1.00 0.43 N ATOM 1326 CA ILE A 84 8.914 6.880 2.875 1.00 0.43 C ATOM 1327 C ILE A 84 7.710 7.707 3.339 1.00 0.41 C ATOM 1328 O ILE A 84 6.786 7.189 3.929 1.00 0.35 O ATOM 1329 CB ILE A 84 10.108 7.162 3.789 1.00 0.48 C ATOM 1330 CG1 ILE A 84 11.355 6.463 3.237 1.00 0.50 C ATOM 1331 CG2 ILE A 84 9.812 6.635 5.195 1.00 0.47 C ATOM 1332 CD1 ILE A 84 11.021 5.009 2.893 1.00 0.53 C ATOM 0 H ILE A 84 10.202 7.628 1.344 1.00 0.43 H new ATOM 0 HA ILE A 84 8.657 5.822 2.921 1.00 0.43 H new ATOM 0 HB ILE A 84 10.283 8.237 3.832 1.00 0.48 H new ATOM 0 HG12 ILE A 84 11.713 6.984 2.349 1.00 0.50 H new ATOM 0 HG13 ILE A 84 12.159 6.498 3.972 1.00 0.50 H new ATOM 0 HG21 ILE A 84 10.663 6.836 5.846 1.00 0.47 H new ATOM 0 HG22 ILE A 84 8.927 7.133 5.591 1.00 0.47 H new ATOM 0 HG23 ILE A 84 9.635 5.560 5.151 1.00 0.47 H new ATOM 0 HD11 ILE A 84 11.910 4.515 2.501 1.00 0.53 H new ATOM 0 HD12 ILE A 84 10.684 4.491 3.791 1.00 0.53 H new ATOM 0 HD13 ILE A 84 10.231 4.985 2.142 1.00 0.53 H new ATOM 1344 N ARG A 85 7.719 8.987 3.087 1.00 0.51 N ATOM 1345 CA ARG A 85 6.579 9.846 3.528 1.00 0.51 C ATOM 1346 C ARG A 85 5.262 9.315 2.951 1.00 0.52 C ATOM 1347 O ARG A 85 4.300 9.099 3.664 1.00 0.62 O ATOM 1348 CB ARG A 85 6.806 11.276 3.033 1.00 0.51 C ATOM 1349 CG ARG A 85 7.492 12.097 4.128 1.00 0.72 C ATOM 1350 CD ARG A 85 8.302 13.226 3.486 1.00 0.51 C ATOM 1351 NE ARG A 85 7.390 14.355 3.138 1.00 0.93 N ATOM 1352 CZ ARG A 85 7.867 15.540 2.833 1.00 1.31 C ATOM 1353 NH1 ARG A 85 9.159 15.772 2.820 1.00 0.83 N ATOM 1354 NH2 ARG A 85 7.041 16.505 2.536 1.00 2.43 N ATOM 0 H ARG A 85 8.466 9.477 2.595 1.00 0.51 H new ATOM 0 HA ARG A 85 6.522 9.832 4.616 1.00 0.51 H new ATOM 0 HB2 ARG A 85 7.421 11.266 2.133 1.00 0.51 H new ATOM 0 HB3 ARG A 85 5.854 11.734 2.764 1.00 0.51 H new ATOM 0 HG2 ARG A 85 6.747 12.510 4.808 1.00 0.72 H new ATOM 0 HG3 ARG A 85 8.146 11.458 4.721 1.00 0.72 H new ATOM 0 HD2 ARG A 85 9.077 13.568 4.172 1.00 0.51 H new ATOM 0 HD3 ARG A 85 8.807 12.863 2.591 1.00 0.51 H new ATOM 0 HE ARG A 85 6.381 14.204 3.137 1.00 0.93 H new ATOM 0 HH11 ARG A 85 9.814 15.024 3.050 1.00 0.83 H new ATOM 0 HH12 ARG A 85 9.508 16.700 2.580 1.00 0.83 H new ATOM 0 HH21 ARG A 85 6.035 16.335 2.542 1.00 2.43 H new ATOM 0 HH22 ARG A 85 7.401 17.429 2.298 1.00 2.43 H new ATOM 1368 N PHE A 86 5.211 9.117 1.665 1.00 0.45 N ATOM 1369 CA PHE A 86 3.958 8.616 1.026 1.00 0.44 C ATOM 1370 C PHE A 86 3.480 7.341 1.724 1.00 0.43 C ATOM 1371 O PHE A 86 2.296 7.123 1.889 1.00 0.42 O ATOM 1372 CB PHE A 86 4.229 8.316 -0.451 1.00 0.42 C ATOM 1373 CG PHE A 86 3.557 9.361 -1.310 1.00 0.35 C ATOM 1374 CD1 PHE A 86 3.890 10.713 -1.160 1.00 1.03 C ATOM 1375 CD2 PHE A 86 2.598 8.977 -2.257 1.00 0.40 C ATOM 1376 CE1 PHE A 86 3.266 11.681 -1.957 1.00 1.06 C ATOM 1377 CE2 PHE A 86 1.975 9.945 -3.053 1.00 0.40 C ATOM 1378 CZ PHE A 86 2.309 11.297 -2.903 1.00 0.44 C ATOM 0 H PHE A 86 5.986 9.281 1.023 1.00 0.45 H new ATOM 0 HA PHE A 86 3.184 9.379 1.114 1.00 0.44 H new ATOM 0 HB2 PHE A 86 5.302 8.310 -0.641 1.00 0.42 H new ATOM 0 HB3 PHE A 86 3.854 7.325 -0.706 1.00 0.42 H new ATOM 0 HD1 PHE A 86 4.628 11.009 -0.429 1.00 1.03 H new ATOM 0 HD2 PHE A 86 2.340 7.935 -2.372 1.00 0.40 H new ATOM 0 HE1 PHE A 86 3.523 12.724 -1.842 1.00 1.06 H new ATOM 0 HE2 PHE A 86 1.236 9.649 -3.783 1.00 0.40 H new ATOM 0 HZ PHE A 86 1.828 12.043 -3.518 1.00 0.44 H new ATOM 1388 N LEU A 87 4.382 6.489 2.126 1.00 0.46 N ATOM 1389 CA LEU A 87 3.965 5.225 2.802 1.00 0.46 C ATOM 1390 C LEU A 87 3.373 5.532 4.179 1.00 0.47 C ATOM 1391 O LEU A 87 2.463 4.869 4.634 1.00 0.53 O ATOM 1392 CB LEU A 87 5.182 4.317 2.978 1.00 0.48 C ATOM 1393 CG LEU A 87 5.395 3.487 1.715 1.00 0.77 C ATOM 1394 CD1 LEU A 87 6.862 3.073 1.633 1.00 1.87 C ATOM 1395 CD2 LEU A 87 4.515 2.235 1.772 1.00 0.92 C ATOM 0 H LEU A 87 5.389 6.612 2.017 1.00 0.46 H new ATOM 0 HA LEU A 87 3.213 4.730 2.188 1.00 0.46 H new ATOM 0 HB2 LEU A 87 6.068 4.917 3.183 1.00 0.48 H new ATOM 0 HB3 LEU A 87 5.036 3.660 3.836 1.00 0.48 H new ATOM 0 HG LEU A 87 5.128 4.076 0.838 1.00 0.77 H new ATOM 0 HD11 LEU A 87 7.023 2.479 0.733 1.00 1.87 H new ATOM 0 HD12 LEU A 87 7.490 3.963 1.597 1.00 1.87 H new ATOM 0 HD13 LEU A 87 7.122 2.480 2.510 1.00 1.87 H new ATOM 0 HD21 LEU A 87 4.667 1.642 0.870 1.00 0.92 H new ATOM 0 HD22 LEU A 87 4.783 1.641 2.646 1.00 0.92 H new ATOM 0 HD23 LEU A 87 3.468 2.529 1.841 1.00 0.92 H new ATOM 1407 N LYS A 88 3.890 6.519 4.855 1.00 0.44 N ATOM 1408 CA LYS A 88 3.366 6.853 6.209 1.00 0.46 C ATOM 1409 C LYS A 88 1.937 7.390 6.098 1.00 0.44 C ATOM 1410 O LYS A 88 1.140 7.245 7.003 1.00 0.50 O ATOM 1411 CB LYS A 88 4.261 7.914 6.852 1.00 0.49 C ATOM 1412 CG LYS A 88 5.683 7.367 6.988 1.00 0.28 C ATOM 1413 CD LYS A 88 6.402 8.087 8.132 1.00 0.64 C ATOM 1414 CE LYS A 88 7.592 8.871 7.576 1.00 1.19 C ATOM 1415 NZ LYS A 88 7.935 9.980 8.510 1.00 1.20 N ATOM 0 H LYS A 88 4.654 7.110 4.528 1.00 0.44 H new ATOM 0 HA LYS A 88 3.363 5.953 6.824 1.00 0.46 H new ATOM 0 HB2 LYS A 88 4.265 8.819 6.244 1.00 0.49 H new ATOM 0 HB3 LYS A 88 3.871 8.189 7.832 1.00 0.49 H new ATOM 0 HG2 LYS A 88 5.654 6.295 7.181 1.00 0.28 H new ATOM 0 HG3 LYS A 88 6.229 7.509 6.055 1.00 0.28 H new ATOM 0 HD2 LYS A 88 5.714 8.763 8.640 1.00 0.64 H new ATOM 0 HD3 LYS A 88 6.744 7.364 8.873 1.00 0.64 H new ATOM 0 HE2 LYS A 88 8.449 8.210 7.449 1.00 1.19 H new ATOM 0 HE3 LYS A 88 7.349 9.272 6.592 1.00 1.19 H new ATOM 0 HZ1 LYS A 88 8.744 10.514 8.133 1.00 1.20 H new ATOM 0 HZ2 LYS A 88 7.118 10.615 8.610 1.00 1.20 H new ATOM 0 HZ3 LYS A 88 8.183 9.586 9.440 1.00 1.20 H new ATOM 1429 N ARG A 89 1.607 8.013 5.001 1.00 0.45 N ATOM 1430 CA ARG A 89 0.228 8.560 4.844 1.00 0.44 C ATOM 1431 C ARG A 89 -0.737 7.435 4.463 1.00 0.38 C ATOM 1432 O ARG A 89 -1.860 7.384 4.924 1.00 0.34 O ATOM 1433 CB ARG A 89 0.226 9.620 3.741 1.00 0.43 C ATOM 1434 CG ARG A 89 1.480 10.487 3.863 1.00 1.89 C ATOM 1435 CD ARG A 89 1.115 11.946 3.591 1.00 1.91 C ATOM 1436 NE ARG A 89 1.248 12.228 2.132 1.00 2.12 N ATOM 1437 CZ ARG A 89 0.723 13.308 1.601 1.00 1.81 C ATOM 1438 NH1 ARG A 89 0.065 14.175 2.333 1.00 1.50 N ATOM 1439 NH2 ARG A 89 0.858 13.523 0.321 1.00 2.16 N ATOM 0 H ARG A 89 2.230 8.167 4.208 1.00 0.45 H new ATOM 0 HA ARG A 89 -0.091 9.006 5.786 1.00 0.44 H new ATOM 0 HB2 ARG A 89 0.196 9.141 2.762 1.00 0.43 H new ATOM 0 HB3 ARG A 89 -0.667 10.240 3.820 1.00 0.43 H new ATOM 0 HG2 ARG A 89 1.909 10.387 4.860 1.00 1.89 H new ATOM 0 HG3 ARG A 89 2.238 10.152 3.155 1.00 1.89 H new ATOM 0 HD2 ARG A 89 0.095 12.144 3.919 1.00 1.91 H new ATOM 0 HD3 ARG A 89 1.767 12.608 4.161 1.00 1.91 H new ATOM 0 HE ARG A 89 1.755 11.572 1.538 1.00 2.12 H new ATOM 0 HH11 ARG A 89 -0.046 14.016 3.334 1.00 1.50 H new ATOM 0 HH12 ARG A 89 -0.335 15.008 1.901 1.00 1.50 H new ATOM 0 HH21 ARG A 89 1.368 12.855 -0.257 1.00 2.16 H new ATOM 0 HH22 ARG A 89 0.454 14.359 -0.101 1.00 2.16 H new ATOM 1453 N LEU A 90 -0.309 6.543 3.618 1.00 0.41 N ATOM 1454 CA LEU A 90 -1.197 5.424 3.192 1.00 0.36 C ATOM 1455 C LEU A 90 -1.338 4.391 4.318 1.00 0.39 C ATOM 1456 O LEU A 90 -2.237 3.573 4.307 1.00 0.36 O ATOM 1457 CB LEU A 90 -0.593 4.752 1.958 1.00 0.35 C ATOM 1458 CG LEU A 90 -1.226 5.343 0.697 1.00 1.01 C ATOM 1459 CD1 LEU A 90 -2.643 4.793 0.525 1.00 0.53 C ATOM 1460 CD2 LEU A 90 -1.283 6.865 0.826 1.00 3.18 C ATOM 0 H LEU A 90 0.622 6.539 3.201 1.00 0.41 H new ATOM 0 HA LEU A 90 -2.185 5.822 2.958 1.00 0.36 H new ATOM 0 HB2 LEU A 90 0.487 4.901 1.941 1.00 0.35 H new ATOM 0 HB3 LEU A 90 -0.765 3.676 1.995 1.00 0.35 H new ATOM 0 HG LEU A 90 -0.626 5.071 -0.171 1.00 1.01 H new ATOM 0 HD11 LEU A 90 -3.091 5.216 -0.374 1.00 0.53 H new ATOM 0 HD12 LEU A 90 -2.603 3.707 0.434 1.00 0.53 H new ATOM 0 HD13 LEU A 90 -3.246 5.063 1.392 1.00 0.53 H new ATOM 0 HD21 LEU A 90 -1.734 7.290 -0.071 1.00 3.18 H new ATOM 0 HD22 LEU A 90 -1.883 7.134 1.696 1.00 3.18 H new ATOM 0 HD23 LEU A 90 -0.273 7.258 0.946 1.00 3.18 H new ATOM 1472 N ASP A 91 -0.459 4.407 5.285 1.00 0.45 N ATOM 1473 CA ASP A 91 -0.553 3.416 6.394 1.00 0.49 C ATOM 1474 C ASP A 91 -1.820 3.661 7.220 1.00 0.48 C ATOM 1475 O ASP A 91 -2.563 2.746 7.516 1.00 0.49 O ATOM 1476 CB ASP A 91 0.673 3.553 7.300 1.00 0.55 C ATOM 1477 CG ASP A 91 0.439 2.778 8.599 1.00 1.09 C ATOM 1478 OD1 ASP A 91 0.416 1.559 8.543 1.00 1.53 O ATOM 1479 OD2 ASP A 91 0.287 3.416 9.628 1.00 1.70 O ATOM 0 H ASP A 91 0.319 5.063 5.354 1.00 0.45 H new ATOM 0 HA ASP A 91 -0.594 2.413 5.970 1.00 0.49 H new ATOM 0 HB2 ASP A 91 1.558 3.172 6.791 1.00 0.55 H new ATOM 0 HB3 ASP A 91 0.860 4.604 7.520 1.00 0.55 H new ATOM 1484 N ARG A 92 -2.064 4.882 7.610 1.00 0.46 N ATOM 1485 CA ARG A 92 -3.271 5.176 8.437 1.00 0.46 C ATOM 1486 C ARG A 92 -4.472 5.522 7.551 1.00 0.38 C ATOM 1487 O ARG A 92 -5.605 5.427 7.973 1.00 0.39 O ATOM 1488 CB ARG A 92 -2.975 6.364 9.353 1.00 0.48 C ATOM 1489 CG ARG A 92 -2.120 5.900 10.530 1.00 0.87 C ATOM 1490 CD ARG A 92 -3.027 5.564 11.715 1.00 0.67 C ATOM 1491 NE ARG A 92 -2.994 6.687 12.698 1.00 0.64 N ATOM 1492 CZ ARG A 92 -3.889 6.775 13.654 1.00 1.16 C ATOM 1493 NH1 ARG A 92 -4.837 5.879 13.787 1.00 1.73 N ATOM 1494 NH2 ARG A 92 -3.832 7.775 14.492 1.00 1.52 N ATOM 0 H ARG A 92 -1.480 5.690 7.392 1.00 0.46 H new ATOM 0 HA ARG A 92 -3.511 4.289 9.024 1.00 0.46 H new ATOM 0 HB2 ARG A 92 -2.455 7.144 8.797 1.00 0.48 H new ATOM 0 HB3 ARG A 92 -3.907 6.798 9.716 1.00 0.48 H new ATOM 0 HG2 ARG A 92 -1.535 5.025 10.246 1.00 0.87 H new ATOM 0 HG3 ARG A 92 -1.412 6.680 10.809 1.00 0.87 H new ATOM 0 HD2 ARG A 92 -4.048 5.398 11.370 1.00 0.67 H new ATOM 0 HD3 ARG A 92 -2.696 4.640 12.190 1.00 0.67 H new ATOM 0 HE ARG A 92 -2.265 7.397 12.626 1.00 0.64 H new ATOM 0 HH11 ARG A 92 -4.890 5.093 13.140 1.00 1.73 H new ATOM 0 HH12 ARG A 92 -5.522 5.968 14.538 1.00 1.73 H new ATOM 0 HH21 ARG A 92 -3.098 8.477 14.399 1.00 1.52 H new ATOM 0 HH22 ARG A 92 -4.522 7.854 15.239 1.00 1.52 H new ATOM 1508 N ASN A 93 -4.246 5.942 6.341 1.00 0.32 N ATOM 1509 CA ASN A 93 -5.395 6.310 5.467 1.00 0.25 C ATOM 1510 C ASN A 93 -6.053 5.056 4.886 1.00 0.27 C ATOM 1511 O ASN A 93 -7.228 5.051 4.581 1.00 0.33 O ATOM 1512 CB ASN A 93 -4.896 7.202 4.329 1.00 0.21 C ATOM 1513 CG ASN A 93 -4.731 8.633 4.842 1.00 0.32 C ATOM 1514 OD1 ASN A 93 -4.030 8.867 5.808 1.00 1.35 O ATOM 1515 ND2 ASN A 93 -5.350 9.606 4.236 1.00 0.61 N ATOM 0 H ASN A 93 -3.323 6.047 5.919 1.00 0.32 H new ATOM 0 HA ASN A 93 -6.135 6.845 6.062 1.00 0.25 H new ATOM 0 HB2 ASN A 93 -3.945 6.828 3.949 1.00 0.21 H new ATOM 0 HB3 ASN A 93 -5.602 7.180 3.499 1.00 0.21 H new ATOM 0 HD21 ASN A 93 -5.247 10.564 4.572 1.00 0.61 H new ATOM 0 HD22 ASN A 93 -5.938 9.410 3.426 1.00 0.61 H new ATOM 1522 N LEU A 94 -5.310 4.002 4.714 1.00 0.38 N ATOM 1523 CA LEU A 94 -5.904 2.767 4.129 1.00 0.40 C ATOM 1524 C LEU A 94 -6.730 2.004 5.171 1.00 0.44 C ATOM 1525 O LEU A 94 -7.894 1.726 4.965 1.00 0.44 O ATOM 1526 CB LEU A 94 -4.786 1.858 3.619 1.00 0.43 C ATOM 1527 CG LEU A 94 -4.295 2.361 2.263 1.00 1.15 C ATOM 1528 CD1 LEU A 94 -3.005 1.630 1.886 1.00 1.63 C ATOM 1529 CD2 LEU A 94 -5.361 2.087 1.201 1.00 2.39 C ATOM 0 H LEU A 94 -4.320 3.940 4.952 1.00 0.38 H new ATOM 0 HA LEU A 94 -6.560 3.060 3.309 1.00 0.40 H new ATOM 0 HB2 LEU A 94 -3.962 1.843 4.333 1.00 0.43 H new ATOM 0 HB3 LEU A 94 -5.149 0.834 3.529 1.00 0.43 H new ATOM 0 HG LEU A 94 -4.105 3.433 2.321 1.00 1.15 H new ATOM 0 HD11 LEU A 94 -2.653 1.988 0.918 1.00 1.63 H new ATOM 0 HD12 LEU A 94 -2.244 1.822 2.642 1.00 1.63 H new ATOM 0 HD13 LEU A 94 -3.197 0.559 1.828 1.00 1.63 H new ATOM 0 HD21 LEU A 94 -5.011 2.446 0.233 1.00 2.39 H new ATOM 0 HD22 LEU A 94 -5.550 1.015 1.144 1.00 2.39 H new ATOM 0 HD23 LEU A 94 -6.282 2.605 1.468 1.00 2.39 H new ATOM 1541 N TRP A 95 -6.134 1.627 6.270 1.00 0.49 N ATOM 1542 CA TRP A 95 -6.895 0.845 7.291 1.00 0.55 C ATOM 1543 C TRP A 95 -7.565 1.775 8.301 1.00 0.46 C ATOM 1544 O TRP A 95 -8.561 1.427 8.903 1.00 0.45 O ATOM 1545 CB TRP A 95 -5.941 -0.115 8.007 1.00 0.76 C ATOM 1546 CG TRP A 95 -5.800 0.259 9.445 1.00 0.69 C ATOM 1547 CD1 TRP A 95 -5.105 1.319 9.902 1.00 0.29 C ATOM 1548 CD2 TRP A 95 -6.333 -0.418 10.619 1.00 1.34 C ATOM 1549 NE1 TRP A 95 -5.190 1.353 11.282 1.00 0.39 N ATOM 1550 CE2 TRP A 95 -5.934 0.299 11.772 1.00 1.02 C ATOM 1551 CE3 TRP A 95 -7.118 -1.569 10.793 1.00 2.20 C ATOM 1552 CZ2 TRP A 95 -6.305 -0.113 13.054 1.00 1.51 C ATOM 1553 CZ3 TRP A 95 -7.492 -1.988 12.078 1.00 2.70 C ATOM 1554 CH2 TRP A 95 -7.086 -1.262 13.208 1.00 2.34 C ATOM 0 H TRP A 95 -5.161 1.824 6.505 1.00 0.49 H new ATOM 0 HA TRP A 95 -7.677 0.276 6.789 1.00 0.55 H new ATOM 0 HB2 TRP A 95 -6.315 -1.136 7.926 1.00 0.76 H new ATOM 0 HB3 TRP A 95 -4.965 -0.094 7.523 1.00 0.76 H new ATOM 0 HD1 TRP A 95 -4.568 2.028 9.289 1.00 0.29 H new ATOM 0 HE1 TRP A 95 -4.756 2.069 11.865 1.00 0.39 H new ATOM 0 HE3 TRP A 95 -7.436 -2.136 9.931 1.00 2.20 H new ATOM 0 HZ2 TRP A 95 -5.991 0.452 13.919 1.00 1.51 H new ATOM 0 HZ3 TRP A 95 -8.096 -2.875 12.199 1.00 2.70 H new ATOM 0 HH2 TRP A 95 -7.376 -1.590 14.195 1.00 2.34 H new ATOM 1565 N GLY A 96 -7.034 2.948 8.495 1.00 0.53 N ATOM 1566 CA GLY A 96 -7.661 3.891 9.470 1.00 0.61 C ATOM 1567 C GLY A 96 -9.134 4.082 9.104 1.00 0.42 C ATOM 1568 O GLY A 96 -9.976 4.291 9.954 1.00 0.40 O ATOM 0 H GLY A 96 -6.198 3.297 8.026 1.00 0.53 H new ATOM 0 HA2 GLY A 96 -7.573 3.498 10.483 1.00 0.61 H new ATOM 0 HA3 GLY A 96 -7.142 4.849 9.453 1.00 0.61 H new ATOM 1572 N LEU A 97 -9.448 3.999 7.839 1.00 0.40 N ATOM 1573 CA LEU A 97 -10.864 4.161 7.405 1.00 0.55 C ATOM 1574 C LEU A 97 -11.575 2.807 7.501 1.00 0.51 C ATOM 1575 O LEU A 97 -12.768 2.735 7.718 1.00 0.67 O ATOM 1576 CB LEU A 97 -10.891 4.662 5.957 1.00 0.87 C ATOM 1577 CG LEU A 97 -12.337 4.749 5.463 1.00 0.59 C ATOM 1578 CD1 LEU A 97 -12.665 6.199 5.101 1.00 1.25 C ATOM 1579 CD2 LEU A 97 -12.500 3.869 4.223 1.00 0.40 C ATOM 0 H LEU A 97 -8.782 3.825 7.086 1.00 0.40 H new ATOM 0 HA LEU A 97 -11.372 4.882 8.045 1.00 0.55 H new ATOM 0 HB2 LEU A 97 -10.416 5.641 5.893 1.00 0.87 H new ATOM 0 HB3 LEU A 97 -10.319 3.988 5.319 1.00 0.87 H new ATOM 0 HG LEU A 97 -13.012 4.408 6.248 1.00 0.59 H new ATOM 0 HD11 LEU A 97 -13.695 6.262 4.749 1.00 1.25 H new ATOM 0 HD12 LEU A 97 -12.543 6.830 5.981 1.00 1.25 H new ATOM 0 HD13 LEU A 97 -11.991 6.539 4.315 1.00 1.25 H new ATOM 0 HD21 LEU A 97 -13.529 3.928 3.868 1.00 0.40 H new ATOM 0 HD22 LEU A 97 -11.825 4.215 3.440 1.00 0.40 H new ATOM 0 HD23 LEU A 97 -12.262 2.836 4.476 1.00 0.40 H new ATOM 1591 N ALA A 98 -10.847 1.733 7.343 1.00 0.48 N ATOM 1592 CA ALA A 98 -11.470 0.382 7.427 1.00 0.77 C ATOM 1593 C ALA A 98 -12.228 0.254 8.748 1.00 0.98 C ATOM 1594 O ALA A 98 -13.423 0.033 8.772 1.00 1.25 O ATOM 1595 CB ALA A 98 -10.373 -0.684 7.361 1.00 0.79 C ATOM 0 H ALA A 98 -9.844 1.735 7.159 1.00 0.48 H new ATOM 0 HA ALA A 98 -12.163 0.245 6.597 1.00 0.77 H new ATOM 0 HB1 ALA A 98 -10.824 -1.674 7.422 1.00 0.79 H new ATOM 0 HB2 ALA A 98 -9.830 -0.590 6.420 1.00 0.79 H new ATOM 0 HB3 ALA A 98 -9.683 -0.548 8.193 1.00 0.79 H new ATOM 1601 N GLY A 99 -11.544 0.397 9.847 1.00 0.96 N ATOM 1602 CA GLY A 99 -12.224 0.288 11.169 1.00 1.22 C ATOM 1603 C GLY A 99 -12.238 -1.172 11.627 1.00 1.63 C ATOM 1604 O GLY A 99 -13.226 -1.865 11.490 1.00 2.20 O ATOM 0 H GLY A 99 -10.542 0.585 9.889 1.00 0.96 H new ATOM 0 HA2 GLY A 99 -11.708 0.905 11.905 1.00 1.22 H new ATOM 0 HA3 GLY A 99 -13.244 0.665 11.096 1.00 1.22 H new ATOM 1608 N LEU A 100 -11.150 -1.641 12.172 1.00 1.50 N ATOM 1609 CA LEU A 100 -11.099 -3.057 12.642 1.00 1.88 C ATOM 1610 C LEU A 100 -10.012 -3.198 13.717 1.00 1.88 C ATOM 1611 O LEU A 100 -9.606 -2.232 14.331 1.00 2.22 O ATOM 1612 CB LEU A 100 -10.777 -3.976 11.457 1.00 1.91 C ATOM 1613 CG LEU A 100 -11.769 -5.146 11.417 1.00 2.29 C ATOM 1614 CD1 LEU A 100 -12.428 -5.209 10.039 1.00 2.67 C ATOM 1615 CD2 LEU A 100 -11.025 -6.460 11.678 1.00 2.32 C ATOM 0 H LEU A 100 -10.293 -1.106 12.313 1.00 1.50 H new ATOM 0 HA LEU A 100 -12.064 -3.338 13.065 1.00 1.88 H new ATOM 0 HB2 LEU A 100 -10.828 -3.413 10.525 1.00 1.91 H new ATOM 0 HB3 LEU A 100 -9.759 -4.354 11.546 1.00 1.91 H new ATOM 0 HG LEU A 100 -12.530 -4.998 12.183 1.00 2.29 H new ATOM 0 HD11 LEU A 100 -13.133 -6.040 10.010 1.00 2.67 H new ATOM 0 HD12 LEU A 100 -12.959 -4.277 9.846 1.00 2.67 H new ATOM 0 HD13 LEU A 100 -11.663 -5.355 9.276 1.00 2.67 H new ATOM 0 HD21 LEU A 100 -11.731 -7.290 11.649 1.00 2.32 H new ATOM 0 HD22 LEU A 100 -10.263 -6.605 10.912 1.00 2.32 H new ATOM 0 HD23 LEU A 100 -10.551 -6.421 12.659 1.00 2.32 H new ATOM 1627 N ASN A 101 -9.535 -4.393 13.946 1.00 1.94 N ATOM 1628 CA ASN A 101 -8.477 -4.598 14.974 1.00 1.94 C ATOM 1629 C ASN A 101 -7.174 -5.023 14.289 1.00 1.26 C ATOM 1630 O ASN A 101 -6.987 -4.816 13.105 1.00 1.67 O ATOM 1631 CB ASN A 101 -8.921 -5.695 15.946 1.00 2.68 C ATOM 1632 CG ASN A 101 -8.717 -7.066 15.298 1.00 4.19 C ATOM 1633 OD1 ASN A 101 -9.309 -7.365 14.280 1.00 4.99 O ATOM 1634 ND2 ASN A 101 -7.896 -7.919 15.849 1.00 4.85 N ATOM 0 H ASN A 101 -9.835 -5.239 13.462 1.00 1.94 H new ATOM 0 HA ASN A 101 -8.314 -3.669 15.520 1.00 1.94 H new ATOM 0 HB2 ASN A 101 -8.348 -5.630 16.871 1.00 2.68 H new ATOM 0 HB3 ASN A 101 -9.970 -5.559 16.210 1.00 2.68 H new ATOM 0 HD21 ASN A 101 -7.752 -8.835 15.425 1.00 4.85 H new ATOM 0 HD22 ASN A 101 -7.399 -7.669 16.704 1.00 4.85 H new ATOM 1641 N SER A 102 -6.269 -5.615 15.023 1.00 0.67 N ATOM 1642 CA SER A 102 -4.979 -6.054 14.414 1.00 0.66 C ATOM 1643 C SER A 102 -5.262 -6.958 13.211 1.00 0.67 C ATOM 1644 O SER A 102 -6.381 -7.368 12.980 1.00 0.76 O ATOM 1645 CB SER A 102 -4.167 -6.825 15.458 1.00 1.44 C ATOM 1646 OG SER A 102 -3.362 -7.798 14.806 1.00 2.44 O ATOM 0 H SER A 102 -6.368 -5.814 16.019 1.00 0.67 H new ATOM 0 HA SER A 102 -4.414 -5.183 14.083 1.00 0.66 H new ATOM 0 HB2 SER A 102 -3.539 -6.139 16.026 1.00 1.44 H new ATOM 0 HB3 SER A 102 -4.836 -7.308 16.170 1.00 1.44 H new ATOM 0 HG SER A 102 -2.840 -8.291 15.473 1.00 2.44 H new ATOM 1652 N CYS A 103 -4.254 -7.271 12.438 1.00 0.70 N ATOM 1653 CA CYS A 103 -4.468 -8.144 11.251 1.00 0.74 C ATOM 1654 C CYS A 103 -3.202 -8.968 10.989 1.00 0.78 C ATOM 1655 O CYS A 103 -2.420 -8.639 10.120 1.00 0.80 O ATOM 1656 CB CYS A 103 -4.770 -7.272 10.031 1.00 0.78 C ATOM 1657 SG CYS A 103 -6.466 -6.652 10.144 1.00 0.84 S ATOM 0 H CYS A 103 -3.293 -6.959 12.579 1.00 0.70 H new ATOM 0 HA CYS A 103 -5.306 -8.816 11.437 1.00 0.74 H new ATOM 0 HB2 CYS A 103 -4.069 -6.439 9.982 1.00 0.78 H new ATOM 0 HB3 CYS A 103 -4.642 -7.850 9.116 1.00 0.78 H new ATOM 1662 N PRO A 104 -3.042 -10.017 11.754 1.00 0.94 N ATOM 1663 CA PRO A 104 -1.876 -10.911 11.632 1.00 1.08 C ATOM 1664 C PRO A 104 -1.790 -11.483 10.214 1.00 0.95 C ATOM 1665 O PRO A 104 -2.331 -12.530 9.920 1.00 1.09 O ATOM 1666 CB PRO A 104 -2.130 -12.028 12.654 1.00 1.37 C ATOM 1667 CG PRO A 104 -3.455 -11.700 13.391 1.00 1.43 C ATOM 1668 CD PRO A 104 -4.009 -10.396 12.798 1.00 1.13 C ATOM 0 HA PRO A 104 -0.935 -10.394 11.818 1.00 1.08 H new ATOM 0 HB2 PRO A 104 -2.199 -12.995 12.155 1.00 1.37 H new ATOM 0 HB3 PRO A 104 -1.304 -12.093 13.362 1.00 1.37 H new ATOM 0 HG2 PRO A 104 -4.172 -12.511 13.267 1.00 1.43 H new ATOM 0 HG3 PRO A 104 -3.280 -11.589 14.461 1.00 1.43 H new ATOM 0 HD2 PRO A 104 -5.005 -10.543 12.380 1.00 1.13 H new ATOM 0 HD3 PRO A 104 -4.094 -9.620 13.559 1.00 1.13 H new ATOM 1676 N VAL A 105 -1.111 -10.801 9.333 1.00 0.82 N ATOM 1677 CA VAL A 105 -0.985 -11.300 7.933 1.00 0.75 C ATOM 1678 C VAL A 105 -0.190 -12.608 7.923 1.00 0.80 C ATOM 1679 O VAL A 105 0.914 -12.678 8.424 1.00 0.72 O ATOM 1680 CB VAL A 105 -0.256 -10.256 7.085 1.00 0.86 C ATOM 1681 CG1 VAL A 105 -0.328 -10.652 5.609 1.00 2.21 C ATOM 1682 CG2 VAL A 105 -0.922 -8.892 7.280 1.00 1.01 C ATOM 0 H VAL A 105 -0.637 -9.918 9.522 1.00 0.82 H new ATOM 0 HA VAL A 105 -1.979 -11.477 7.521 1.00 0.75 H new ATOM 0 HB VAL A 105 0.788 -10.202 7.393 1.00 0.86 H new ATOM 0 HG11 VAL A 105 0.192 -9.907 5.007 1.00 2.21 H new ATOM 0 HG12 VAL A 105 0.144 -11.625 5.470 1.00 2.21 H new ATOM 0 HG13 VAL A 105 -1.371 -10.707 5.297 1.00 2.21 H new ATOM 0 HG21 VAL A 105 -0.405 -8.145 6.677 1.00 1.01 H new ATOM 0 HG22 VAL A 105 -1.966 -8.949 6.971 1.00 1.01 H new ATOM 0 HG23 VAL A 105 -0.870 -8.609 8.331 1.00 1.01 H new ATOM 1692 N LYS A 106 -0.740 -13.647 7.353 1.00 1.00 N ATOM 1693 CA LYS A 106 -0.008 -14.945 7.310 1.00 1.05 C ATOM 1694 C LYS A 106 -0.757 -15.939 6.415 1.00 0.82 C ATOM 1695 O LYS A 106 -1.710 -16.569 6.829 1.00 1.30 O ATOM 1696 CB LYS A 106 0.104 -15.516 8.726 1.00 1.21 C ATOM 1697 CG LYS A 106 1.331 -16.427 8.812 1.00 2.03 C ATOM 1698 CD LYS A 106 1.302 -17.203 10.131 1.00 1.92 C ATOM 1699 CE LYS A 106 2.583 -18.031 10.265 1.00 3.05 C ATOM 1700 NZ LYS A 106 2.839 -18.320 11.704 1.00 3.03 N ATOM 0 H LYS A 106 -1.662 -13.653 6.917 1.00 1.00 H new ATOM 0 HA LYS A 106 0.989 -14.779 6.903 1.00 1.05 H new ATOM 0 HB2 LYS A 106 0.187 -14.706 9.451 1.00 1.21 H new ATOM 0 HB3 LYS A 106 -0.797 -16.076 8.976 1.00 1.21 H new ATOM 0 HG2 LYS A 106 1.342 -17.120 7.971 1.00 2.03 H new ATOM 0 HG3 LYS A 106 2.243 -15.833 8.748 1.00 2.03 H new ATOM 0 HD2 LYS A 106 1.213 -16.512 10.970 1.00 1.92 H new ATOM 0 HD3 LYS A 106 0.430 -17.856 10.162 1.00 1.92 H new ATOM 0 HE2 LYS A 106 2.487 -18.963 9.707 1.00 3.05 H new ATOM 0 HE3 LYS A 106 3.426 -17.489 9.836 1.00 3.05 H new ATOM 0 HZ1 LYS A 106 3.709 -18.882 11.796 1.00 3.03 H new ATOM 0 HZ2 LYS A 106 2.948 -17.426 12.224 1.00 3.03 H new ATOM 0 HZ3 LYS A 106 2.038 -18.854 12.099 1.00 3.03 H new ATOM 1714 N GLU A 107 -0.325 -16.085 5.191 1.00 1.56 N ATOM 1715 CA GLU A 107 -0.998 -17.042 4.264 1.00 1.32 C ATOM 1716 C GLU A 107 -0.156 -17.198 3.009 1.00 1.73 C ATOM 1717 O GLU A 107 0.335 -18.270 2.714 1.00 3.03 O ATOM 1718 CB GLU A 107 -2.390 -16.523 3.897 1.00 1.27 C ATOM 1719 CG GLU A 107 -3.122 -17.575 3.061 1.00 2.25 C ATOM 1720 CD GLU A 107 -3.616 -18.701 3.973 1.00 2.64 C ATOM 1721 OE1 GLU A 107 -4.347 -18.406 4.904 1.00 2.22 O ATOM 1722 OE2 GLU A 107 -3.253 -19.840 3.724 1.00 3.79 O ATOM 0 H GLU A 107 0.467 -15.582 4.792 1.00 1.56 H new ATOM 0 HA GLU A 107 -1.103 -18.010 4.754 1.00 1.32 H new ATOM 0 HB2 GLU A 107 -2.957 -16.302 4.801 1.00 1.27 H new ATOM 0 HB3 GLU A 107 -2.307 -15.591 3.337 1.00 1.27 H new ATOM 0 HG2 GLU A 107 -3.964 -17.119 2.540 1.00 2.25 H new ATOM 0 HG3 GLU A 107 -2.455 -17.977 2.298 1.00 2.25 H new ATOM 1729 N ALA A 108 0.041 -16.149 2.275 1.00 1.38 N ATOM 1730 CA ALA A 108 0.877 -16.279 1.063 1.00 1.54 C ATOM 1731 C ALA A 108 2.329 -16.396 1.504 1.00 0.99 C ATOM 1732 O ALA A 108 2.671 -16.130 2.638 1.00 0.76 O ATOM 1733 CB ALA A 108 0.702 -15.056 0.167 1.00 2.17 C ATOM 0 H ALA A 108 -0.335 -15.219 2.458 1.00 1.38 H new ATOM 0 HA ALA A 108 0.580 -17.161 0.496 1.00 1.54 H new ATOM 0 HB1 ALA A 108 1.323 -15.164 -0.722 1.00 2.17 H new ATOM 0 HB2 ALA A 108 -0.343 -14.968 -0.129 1.00 2.17 H new ATOM 0 HB3 ALA A 108 1.001 -14.160 0.711 1.00 2.17 H new ATOM 1739 N ASP A 109 3.181 -16.798 0.621 1.00 0.99 N ATOM 1740 CA ASP A 109 4.612 -16.945 0.981 1.00 0.74 C ATOM 1741 C ASP A 109 5.369 -15.712 0.503 1.00 0.70 C ATOM 1742 O ASP A 109 4.785 -14.782 -0.010 1.00 1.10 O ATOM 1743 CB ASP A 109 5.184 -18.194 0.303 1.00 1.19 C ATOM 1744 CG ASP A 109 5.908 -19.053 1.340 1.00 2.13 C ATOM 1745 OD1 ASP A 109 5.418 -19.142 2.455 1.00 2.73 O ATOM 1746 OD2 ASP A 109 6.940 -19.610 1.003 1.00 2.75 O ATOM 0 H ASP A 109 2.950 -17.034 -0.344 1.00 0.99 H new ATOM 0 HA ASP A 109 4.715 -17.046 2.061 1.00 0.74 H new ATOM 0 HB2 ASP A 109 4.382 -18.767 -0.163 1.00 1.19 H new ATOM 0 HB3 ASP A 109 5.873 -17.906 -0.491 1.00 1.19 H new ATOM 1751 N GLN A 110 6.661 -15.707 0.670 1.00 0.99 N ATOM 1752 CA GLN A 110 7.483 -14.545 0.231 1.00 0.93 C ATOM 1753 C GLN A 110 7.103 -14.148 -1.203 1.00 0.76 C ATOM 1754 O GLN A 110 7.539 -14.761 -2.157 1.00 0.55 O ATOM 1755 CB GLN A 110 8.957 -14.958 0.270 1.00 0.93 C ATOM 1756 CG GLN A 110 9.673 -14.229 1.410 1.00 1.23 C ATOM 1757 CD GLN A 110 9.860 -15.183 2.591 1.00 1.04 C ATOM 1758 OE1 GLN A 110 10.066 -16.365 2.402 1.00 1.14 O ATOM 1759 NE2 GLN A 110 9.798 -14.718 3.808 1.00 1.46 N ATOM 0 H GLN A 110 7.189 -16.468 1.097 1.00 0.99 H new ATOM 0 HA GLN A 110 7.308 -13.695 0.890 1.00 0.93 H new ATOM 0 HB2 GLN A 110 9.038 -16.036 0.409 1.00 0.93 H new ATOM 0 HB3 GLN A 110 9.435 -14.722 -0.681 1.00 0.93 H new ATOM 0 HG2 GLN A 110 10.641 -13.862 1.069 1.00 1.23 H new ATOM 0 HG3 GLN A 110 9.093 -13.359 1.720 1.00 1.23 H new ATOM 0 HE21 GLN A 110 9.625 -13.725 3.966 1.00 1.46 H new ATOM 0 HE22 GLN A 110 9.923 -15.347 4.601 1.00 1.46 H new ATOM 1768 N SER A 111 6.296 -13.123 -1.369 1.00 0.87 N ATOM 1769 CA SER A 111 5.911 -12.708 -2.744 1.00 0.75 C ATOM 1770 C SER A 111 6.604 -11.389 -3.055 1.00 0.69 C ATOM 1771 O SER A 111 6.513 -10.447 -2.297 1.00 0.89 O ATOM 1772 CB SER A 111 4.397 -12.523 -2.825 1.00 0.71 C ATOM 1773 OG SER A 111 3.878 -13.339 -3.868 1.00 1.39 O ATOM 0 H SER A 111 5.895 -12.566 -0.615 1.00 0.87 H new ATOM 0 HA SER A 111 6.209 -13.471 -3.463 1.00 0.75 H new ATOM 0 HB2 SER A 111 3.935 -12.791 -1.875 1.00 0.71 H new ATOM 0 HB3 SER A 111 4.157 -11.477 -3.013 1.00 0.71 H new ATOM 0 HG SER A 111 3.299 -12.801 -4.447 1.00 1.39 H new ATOM 1779 N THR A 112 7.312 -11.320 -4.147 1.00 0.91 N ATOM 1780 CA THR A 112 8.033 -10.063 -4.489 1.00 0.81 C ATOM 1781 C THR A 112 7.079 -8.867 -4.400 1.00 0.67 C ATOM 1782 O THR A 112 5.928 -8.937 -4.780 1.00 0.64 O ATOM 1783 CB THR A 112 8.628 -10.177 -5.891 1.00 0.88 C ATOM 1784 OG1 THR A 112 7.586 -10.177 -6.855 1.00 0.90 O ATOM 1785 CG2 THR A 112 9.429 -11.479 -5.990 1.00 0.85 C ATOM 0 H THR A 112 7.423 -12.080 -4.818 1.00 0.91 H new ATOM 0 HA THR A 112 8.843 -9.907 -3.777 1.00 0.81 H new ATOM 0 HB THR A 112 9.285 -9.329 -6.082 1.00 0.88 H new ATOM 0 HG1 THR A 112 7.971 -10.249 -7.753 1.00 0.90 H new ATOM 0 HG21 THR A 112 9.857 -11.568 -6.988 1.00 0.85 H new ATOM 0 HG22 THR A 112 10.230 -11.470 -5.251 1.00 0.85 H new ATOM 0 HG23 THR A 112 8.770 -12.327 -5.801 1.00 0.85 H new ATOM 1793 N LEU A 113 7.559 -7.781 -3.860 1.00 0.62 N ATOM 1794 CA LEU A 113 6.709 -6.568 -3.686 1.00 0.53 C ATOM 1795 C LEU A 113 6.155 -6.072 -5.029 1.00 0.48 C ATOM 1796 O LEU A 113 5.224 -5.295 -5.068 1.00 0.49 O ATOM 1797 CB LEU A 113 7.557 -5.473 -3.034 1.00 0.51 C ATOM 1798 CG LEU A 113 6.778 -4.158 -2.980 1.00 0.54 C ATOM 1799 CD1 LEU A 113 5.414 -4.380 -2.324 1.00 0.87 C ATOM 1800 CD2 LEU A 113 7.572 -3.145 -2.153 1.00 1.07 C ATOM 0 H LEU A 113 8.518 -7.681 -3.527 1.00 0.62 H new ATOM 0 HA LEU A 113 5.857 -6.819 -3.054 1.00 0.53 H new ATOM 0 HB2 LEU A 113 7.842 -5.776 -2.027 1.00 0.51 H new ATOM 0 HB3 LEU A 113 8.479 -5.334 -3.598 1.00 0.51 H new ATOM 0 HG LEU A 113 6.630 -3.786 -3.994 1.00 0.54 H new ATOM 0 HD11 LEU A 113 4.868 -3.437 -2.291 1.00 0.87 H new ATOM 0 HD12 LEU A 113 4.846 -5.108 -2.903 1.00 0.87 H new ATOM 0 HD13 LEU A 113 5.555 -4.753 -1.310 1.00 0.87 H new ATOM 0 HD21 LEU A 113 7.025 -2.203 -2.108 1.00 1.07 H new ATOM 0 HD22 LEU A 113 7.714 -3.531 -1.143 1.00 1.07 H new ATOM 0 HD23 LEU A 113 8.544 -2.978 -2.617 1.00 1.07 H new ATOM 1812 N GLU A 114 6.708 -6.494 -6.131 1.00 0.45 N ATOM 1813 CA GLU A 114 6.183 -6.017 -7.442 1.00 0.42 C ATOM 1814 C GLU A 114 4.756 -6.539 -7.653 1.00 0.47 C ATOM 1815 O GLU A 114 3.895 -5.840 -8.156 1.00 0.27 O ATOM 1816 CB GLU A 114 7.087 -6.527 -8.568 1.00 0.41 C ATOM 1817 CG GLU A 114 8.105 -5.444 -8.935 1.00 0.85 C ATOM 1818 CD GLU A 114 8.648 -5.706 -10.341 1.00 0.95 C ATOM 1819 OE1 GLU A 114 7.844 -5.835 -11.251 1.00 1.58 O ATOM 1820 OE2 GLU A 114 9.857 -5.775 -10.484 1.00 1.65 O ATOM 0 H GLU A 114 7.494 -7.143 -6.182 1.00 0.45 H new ATOM 0 HA GLU A 114 6.169 -4.927 -7.449 1.00 0.42 H new ATOM 0 HB2 GLU A 114 7.603 -7.434 -8.252 1.00 0.41 H new ATOM 0 HB3 GLU A 114 6.488 -6.788 -9.440 1.00 0.41 H new ATOM 0 HG2 GLU A 114 7.636 -4.461 -8.892 1.00 0.85 H new ATOM 0 HG3 GLU A 114 8.922 -5.439 -8.214 1.00 0.85 H new ATOM 1827 N ASN A 115 4.503 -7.764 -7.284 1.00 0.76 N ATOM 1828 CA ASN A 115 3.138 -8.341 -7.478 1.00 0.84 C ATOM 1829 C ASN A 115 2.158 -7.788 -6.440 1.00 0.76 C ATOM 1830 O ASN A 115 0.986 -7.635 -6.712 1.00 0.70 O ATOM 1831 CB ASN A 115 3.211 -9.863 -7.345 1.00 1.05 C ATOM 1832 CG ASN A 115 1.805 -10.455 -7.466 1.00 1.67 C ATOM 1833 OD1 ASN A 115 1.383 -11.226 -6.627 1.00 2.84 O ATOM 1834 ND2 ASN A 115 1.057 -10.124 -8.483 1.00 1.61 N ATOM 0 H ASN A 115 5.182 -8.393 -6.856 1.00 0.76 H new ATOM 0 HA ASN A 115 2.782 -8.066 -8.471 1.00 0.84 H new ATOM 0 HB2 ASN A 115 3.858 -10.275 -8.119 1.00 1.05 H new ATOM 0 HB3 ASN A 115 3.650 -10.134 -6.385 1.00 1.05 H new ATOM 0 HD21 ASN A 115 0.118 -10.513 -8.573 1.00 1.61 H new ATOM 0 HD22 ASN A 115 1.411 -9.477 -9.187 1.00 1.61 H new ATOM 1841 N PHE A 116 2.611 -7.499 -5.251 1.00 0.79 N ATOM 1842 CA PHE A 116 1.676 -6.968 -4.216 1.00 0.73 C ATOM 1843 C PHE A 116 1.229 -5.555 -4.595 1.00 0.65 C ATOM 1844 O PHE A 116 0.054 -5.287 -4.763 1.00 0.51 O ATOM 1845 CB PHE A 116 2.375 -6.924 -2.857 1.00 0.79 C ATOM 1846 CG PHE A 116 1.598 -6.020 -1.930 1.00 0.73 C ATOM 1847 CD1 PHE A 116 0.431 -6.486 -1.312 1.00 0.82 C ATOM 1848 CD2 PHE A 116 2.042 -4.713 -1.691 1.00 0.64 C ATOM 1849 CE1 PHE A 116 -0.291 -5.644 -0.456 1.00 0.84 C ATOM 1850 CE2 PHE A 116 1.320 -3.873 -0.834 1.00 0.69 C ATOM 1851 CZ PHE A 116 0.154 -4.339 -0.218 1.00 0.79 C ATOM 0 H PHE A 116 3.580 -7.606 -4.952 1.00 0.79 H new ATOM 0 HA PHE A 116 0.807 -7.623 -4.159 1.00 0.73 H new ATOM 0 HB2 PHE A 116 2.441 -7.927 -2.436 1.00 0.79 H new ATOM 0 HB3 PHE A 116 3.395 -6.558 -2.971 1.00 0.79 H new ATOM 0 HD1 PHE A 116 0.088 -7.494 -1.495 1.00 0.82 H new ATOM 0 HD2 PHE A 116 2.942 -4.353 -2.168 1.00 0.64 H new ATOM 0 HE1 PHE A 116 -1.192 -6.002 0.020 1.00 0.84 H new ATOM 0 HE2 PHE A 116 1.663 -2.866 -0.649 1.00 0.69 H new ATOM 0 HZ PHE A 116 -0.403 -3.691 0.442 1.00 0.79 H new ATOM 1861 N LEU A 117 2.157 -4.648 -4.725 1.00 0.77 N ATOM 1862 CA LEU A 117 1.792 -3.250 -5.085 1.00 0.73 C ATOM 1863 C LEU A 117 0.952 -3.253 -6.363 1.00 0.72 C ATOM 1864 O LEU A 117 0.043 -2.462 -6.519 1.00 0.71 O ATOM 1865 CB LEU A 117 3.064 -2.430 -5.303 1.00 0.73 C ATOM 1866 CG LEU A 117 3.180 -1.372 -4.204 1.00 0.85 C ATOM 1867 CD1 LEU A 117 4.575 -0.744 -4.240 1.00 1.49 C ATOM 1868 CD2 LEU A 117 2.128 -0.283 -4.434 1.00 1.07 C ATOM 0 H LEU A 117 3.155 -4.816 -4.597 1.00 0.77 H new ATOM 0 HA LEU A 117 1.212 -2.806 -4.276 1.00 0.73 H new ATOM 0 HB2 LEU A 117 3.937 -3.082 -5.289 1.00 0.73 H new ATOM 0 HB3 LEU A 117 3.039 -1.952 -6.282 1.00 0.73 H new ATOM 0 HG LEU A 117 3.018 -1.840 -3.233 1.00 0.85 H new ATOM 0 HD11 LEU A 117 4.655 0.009 -3.456 1.00 1.49 H new ATOM 0 HD12 LEU A 117 5.326 -1.517 -4.079 1.00 1.49 H new ATOM 0 HD13 LEU A 117 4.739 -0.276 -5.211 1.00 1.49 H new ATOM 0 HD21 LEU A 117 2.209 0.472 -3.652 1.00 1.07 H new ATOM 0 HD22 LEU A 117 2.292 0.182 -5.406 1.00 1.07 H new ATOM 0 HD23 LEU A 117 1.133 -0.727 -4.408 1.00 1.07 H new ATOM 1880 N GLU A 118 1.240 -4.137 -7.279 1.00 0.72 N ATOM 1881 CA GLU A 118 0.445 -4.184 -8.535 1.00 0.71 C ATOM 1882 C GLU A 118 -1.018 -4.481 -8.192 1.00 0.70 C ATOM 1883 O GLU A 118 -1.917 -3.785 -8.618 1.00 0.69 O ATOM 1884 CB GLU A 118 1.003 -5.279 -9.450 1.00 0.69 C ATOM 1885 CG GLU A 118 -0.147 -6.057 -10.093 1.00 1.13 C ATOM 1886 CD GLU A 118 0.403 -6.944 -11.213 1.00 1.51 C ATOM 1887 OE1 GLU A 118 0.904 -8.012 -10.903 1.00 2.93 O ATOM 1888 OE2 GLU A 118 0.313 -6.538 -12.360 1.00 0.74 O ATOM 0 H GLU A 118 1.989 -4.826 -7.211 1.00 0.72 H new ATOM 0 HA GLU A 118 0.507 -3.225 -9.050 1.00 0.71 H new ATOM 0 HB2 GLU A 118 1.630 -4.834 -10.223 1.00 0.69 H new ATOM 0 HB3 GLU A 118 1.636 -5.956 -8.877 1.00 0.69 H new ATOM 0 HG2 GLU A 118 -0.651 -6.668 -9.344 1.00 1.13 H new ATOM 0 HG3 GLU A 118 -0.889 -5.366 -10.493 1.00 1.13 H new ATOM 1895 N ARG A 119 -1.256 -5.504 -7.419 1.00 0.71 N ATOM 1896 CA ARG A 119 -2.657 -5.856 -7.035 1.00 0.70 C ATOM 1897 C ARG A 119 -3.281 -4.728 -6.206 1.00 0.64 C ATOM 1898 O ARG A 119 -4.481 -4.669 -6.043 1.00 0.62 O ATOM 1899 CB ARG A 119 -2.643 -7.140 -6.202 1.00 0.79 C ATOM 1900 CG ARG A 119 -2.510 -8.349 -7.129 1.00 0.65 C ATOM 1901 CD ARG A 119 -3.790 -8.504 -7.951 1.00 0.93 C ATOM 1902 NE ARG A 119 -3.573 -7.944 -9.318 1.00 1.87 N ATOM 1903 CZ ARG A 119 -4.409 -8.203 -10.297 1.00 2.44 C ATOM 1904 NH1 ARG A 119 -5.455 -8.972 -10.113 1.00 2.06 N ATOM 1905 NH2 ARG A 119 -4.194 -7.688 -11.477 1.00 3.59 N ATOM 0 H ARG A 119 -0.537 -6.117 -7.033 1.00 0.71 H new ATOM 0 HA ARG A 119 -3.247 -6.001 -7.940 1.00 0.70 H new ATOM 0 HB2 ARG A 119 -1.814 -7.118 -5.495 1.00 0.79 H new ATOM 0 HB3 ARG A 119 -3.559 -7.216 -5.617 1.00 0.79 H new ATOM 0 HG2 ARG A 119 -1.653 -8.221 -7.791 1.00 0.65 H new ATOM 0 HG3 ARG A 119 -2.329 -9.251 -6.544 1.00 0.65 H new ATOM 0 HD2 ARG A 119 -4.068 -9.556 -8.017 1.00 0.93 H new ATOM 0 HD3 ARG A 119 -4.615 -7.987 -7.461 1.00 0.93 H new ATOM 0 HE ARG A 119 -2.762 -7.351 -9.494 1.00 1.87 H new ATOM 0 HH11 ARG A 119 -5.632 -9.382 -9.196 1.00 2.06 H new ATOM 0 HH12 ARG A 119 -6.092 -9.160 -10.887 1.00 2.06 H new ATOM 0 HH21 ARG A 119 -3.382 -7.090 -11.632 1.00 3.59 H new ATOM 0 HH22 ARG A 119 -4.838 -7.883 -12.244 1.00 3.59 H new ATOM 1919 N LEU A 120 -2.489 -3.835 -5.675 1.00 0.61 N ATOM 1920 CA LEU A 120 -3.067 -2.726 -4.865 1.00 0.57 C ATOM 1921 C LEU A 120 -3.680 -1.681 -5.803 1.00 0.49 C ATOM 1922 O LEU A 120 -4.805 -1.259 -5.628 1.00 0.39 O ATOM 1923 CB LEU A 120 -1.964 -2.079 -4.026 1.00 0.61 C ATOM 1924 CG LEU A 120 -2.528 -1.681 -2.661 1.00 1.00 C ATOM 1925 CD1 LEU A 120 -1.526 -0.780 -1.936 1.00 1.81 C ATOM 1926 CD2 LEU A 120 -3.845 -0.925 -2.855 1.00 1.09 C ATOM 0 H LEU A 120 -1.473 -3.826 -5.767 1.00 0.61 H new ATOM 0 HA LEU A 120 -3.839 -3.119 -4.204 1.00 0.57 H new ATOM 0 HB2 LEU A 120 -1.134 -2.774 -3.900 1.00 0.61 H new ATOM 0 HB3 LEU A 120 -1.570 -1.201 -4.538 1.00 0.61 H new ATOM 0 HG LEU A 120 -2.706 -2.577 -2.067 1.00 1.00 H new ATOM 0 HD11 LEU A 120 -1.929 -0.497 -0.963 1.00 1.81 H new ATOM 0 HD12 LEU A 120 -0.588 -1.317 -1.798 1.00 1.81 H new ATOM 0 HD13 LEU A 120 -1.347 0.117 -2.530 1.00 1.81 H new ATOM 0 HD21 LEU A 120 -4.248 -0.641 -1.883 1.00 1.09 H new ATOM 0 HD22 LEU A 120 -3.666 -0.029 -3.450 1.00 1.09 H new ATOM 0 HD23 LEU A 120 -4.560 -1.566 -3.371 1.00 1.09 H new ATOM 1938 N LYS A 121 -2.947 -1.264 -6.799 1.00 0.56 N ATOM 1939 CA LYS A 121 -3.484 -0.250 -7.754 1.00 0.51 C ATOM 1940 C LYS A 121 -4.684 -0.831 -8.498 1.00 0.46 C ATOM 1941 O LYS A 121 -5.624 -0.136 -8.830 1.00 0.42 O ATOM 1942 CB LYS A 121 -2.402 0.101 -8.776 1.00 0.58 C ATOM 1943 CG LYS A 121 -2.718 1.454 -9.415 1.00 0.55 C ATOM 1944 CD LYS A 121 -1.620 1.816 -10.416 1.00 1.21 C ATOM 1945 CE LYS A 121 -1.510 0.719 -11.476 1.00 1.36 C ATOM 1946 NZ LYS A 121 -1.468 1.342 -12.829 1.00 1.01 N ATOM 0 H LYS A 121 -1.998 -1.582 -6.994 1.00 0.56 H new ATOM 0 HA LYS A 121 -3.785 0.640 -7.201 1.00 0.51 H new ATOM 0 HB2 LYS A 121 -1.427 0.136 -8.290 1.00 0.58 H new ATOM 0 HB3 LYS A 121 -2.348 -0.671 -9.543 1.00 0.58 H new ATOM 0 HG2 LYS A 121 -3.684 1.413 -9.918 1.00 0.55 H new ATOM 0 HG3 LYS A 121 -2.791 2.223 -8.646 1.00 0.55 H new ATOM 0 HD2 LYS A 121 -1.846 2.772 -10.889 1.00 1.21 H new ATOM 0 HD3 LYS A 121 -0.667 1.933 -9.899 1.00 1.21 H new ATOM 0 HE2 LYS A 121 -0.612 0.125 -11.309 1.00 1.36 H new ATOM 0 HE3 LYS A 121 -2.359 0.040 -11.402 1.00 1.36 H new ATOM 0 HZ1 LYS A 121 -1.393 0.598 -13.552 1.00 1.01 H new ATOM 0 HZ2 LYS A 121 -2.337 1.891 -12.986 1.00 1.01 H new ATOM 0 HZ3 LYS A 121 -0.644 1.973 -12.895 1.00 1.01 H new ATOM 1960 N THR A 122 -4.644 -2.099 -8.775 1.00 0.58 N ATOM 1961 CA THR A 122 -5.769 -2.743 -9.520 1.00 0.55 C ATOM 1962 C THR A 122 -7.028 -2.774 -8.650 1.00 0.48 C ATOM 1963 O THR A 122 -8.094 -2.365 -9.067 1.00 0.46 O ATOM 1964 CB THR A 122 -5.387 -4.178 -9.920 1.00 0.60 C ATOM 1965 OG1 THR A 122 -4.151 -4.545 -9.331 1.00 0.69 O ATOM 1966 CG2 THR A 122 -5.260 -4.256 -11.438 1.00 0.64 C ATOM 0 H THR A 122 -3.880 -2.725 -8.519 1.00 0.58 H new ATOM 0 HA THR A 122 -5.968 -2.160 -10.419 1.00 0.55 H new ATOM 0 HB THR A 122 -6.161 -4.861 -9.570 1.00 0.60 H new ATOM 0 HG1 THR A 122 -3.429 -4.015 -9.728 1.00 0.69 H new ATOM 0 HG21 THR A 122 -4.989 -5.271 -11.729 1.00 0.64 H new ATOM 0 HG22 THR A 122 -6.212 -3.989 -11.897 1.00 0.64 H new ATOM 0 HG23 THR A 122 -4.488 -3.564 -11.775 1.00 0.64 H new ATOM 1974 N ILE A 123 -6.914 -3.267 -7.455 1.00 0.46 N ATOM 1975 CA ILE A 123 -8.098 -3.343 -6.552 1.00 0.40 C ATOM 1976 C ILE A 123 -8.722 -1.956 -6.378 1.00 0.27 C ATOM 1977 O ILE A 123 -9.926 -1.812 -6.300 1.00 0.19 O ATOM 1978 CB ILE A 123 -7.655 -3.868 -5.186 1.00 0.54 C ATOM 1979 CG1 ILE A 123 -7.200 -5.323 -5.323 1.00 0.65 C ATOM 1980 CG2 ILE A 123 -8.824 -3.788 -4.203 1.00 0.50 C ATOM 1981 CD1 ILE A 123 -8.425 -6.232 -5.425 1.00 0.75 C ATOM 0 H ILE A 123 -6.046 -3.625 -7.057 1.00 0.46 H new ATOM 0 HA ILE A 123 -8.837 -4.014 -6.991 1.00 0.40 H new ATOM 0 HB ILE A 123 -6.829 -3.262 -4.815 1.00 0.54 H new ATOM 0 HG12 ILE A 123 -6.574 -5.438 -6.208 1.00 0.65 H new ATOM 0 HG13 ILE A 123 -6.593 -5.608 -4.464 1.00 0.65 H new ATOM 0 HG21 ILE A 123 -8.507 -4.162 -3.230 1.00 0.50 H new ATOM 0 HG22 ILE A 123 -9.147 -2.752 -4.105 1.00 0.50 H new ATOM 0 HG23 ILE A 123 -9.652 -4.393 -4.572 1.00 0.50 H new ATOM 0 HD11 ILE A 123 -8.102 -7.268 -5.523 1.00 0.75 H new ATOM 0 HD12 ILE A 123 -9.034 -6.125 -4.527 1.00 0.75 H new ATOM 0 HD13 ILE A 123 -9.014 -5.952 -6.298 1.00 0.75 H new ATOM 1993 N MET A 124 -7.913 -0.938 -6.299 1.00 0.29 N ATOM 1994 CA MET A 124 -8.459 0.436 -6.109 1.00 0.27 C ATOM 1995 C MET A 124 -9.267 0.861 -7.337 1.00 0.15 C ATOM 1996 O MET A 124 -10.421 1.220 -7.236 1.00 0.29 O ATOM 1997 CB MET A 124 -7.304 1.415 -5.890 1.00 0.34 C ATOM 1998 CG MET A 124 -6.470 0.953 -4.695 1.00 0.27 C ATOM 1999 SD MET A 124 -7.184 1.615 -3.170 1.00 0.64 S ATOM 2000 CE MET A 124 -6.015 2.974 -2.944 1.00 0.50 C ATOM 0 H MET A 124 -6.896 -0.997 -6.358 1.00 0.29 H new ATOM 0 HA MET A 124 -9.115 0.440 -5.239 1.00 0.27 H new ATOM 0 HB2 MET A 124 -6.682 1.467 -6.784 1.00 0.34 H new ATOM 0 HB3 MET A 124 -7.691 2.418 -5.712 1.00 0.34 H new ATOM 0 HG2 MET A 124 -6.445 -0.136 -4.655 1.00 0.27 H new ATOM 0 HG3 MET A 124 -5.440 1.292 -4.804 1.00 0.27 H new ATOM 0 HE1 MET A 124 -5.670 2.989 -1.910 1.00 0.50 H new ATOM 0 HE2 MET A 124 -5.163 2.835 -3.609 1.00 0.50 H new ATOM 0 HE3 MET A 124 -6.506 3.919 -3.176 1.00 0.50 H new ATOM 2010 N ARG A 125 -8.669 0.833 -8.492 1.00 0.16 N ATOM 2011 CA ARG A 125 -9.400 1.249 -9.727 1.00 0.24 C ATOM 2012 C ARG A 125 -10.419 0.181 -10.158 1.00 0.50 C ATOM 2013 O ARG A 125 -11.139 0.365 -11.119 1.00 1.15 O ATOM 2014 CB ARG A 125 -8.391 1.460 -10.856 1.00 0.25 C ATOM 2015 CG ARG A 125 -7.757 2.847 -10.723 1.00 1.46 C ATOM 2016 CD ARG A 125 -7.586 3.468 -12.112 1.00 1.37 C ATOM 2017 NE ARG A 125 -6.954 2.475 -13.030 1.00 1.48 N ATOM 2018 CZ ARG A 125 -6.961 2.658 -14.332 1.00 1.30 C ATOM 2019 NH1 ARG A 125 -7.515 3.719 -14.866 1.00 1.22 N ATOM 2020 NH2 ARG A 125 -6.403 1.769 -15.107 1.00 2.30 N ATOM 0 H ARG A 125 -7.703 0.540 -8.639 1.00 0.16 H new ATOM 0 HA ARG A 125 -9.938 2.173 -9.514 1.00 0.24 H new ATOM 0 HB2 ARG A 125 -7.620 0.691 -10.817 1.00 0.25 H new ATOM 0 HB3 ARG A 125 -8.886 1.366 -11.823 1.00 0.25 H new ATOM 0 HG2 ARG A 125 -8.384 3.487 -10.102 1.00 1.46 H new ATOM 0 HG3 ARG A 125 -6.790 2.770 -10.226 1.00 1.46 H new ATOM 0 HD2 ARG A 125 -8.555 3.777 -12.505 1.00 1.37 H new ATOM 0 HD3 ARG A 125 -6.968 4.364 -12.048 1.00 1.37 H new ATOM 0 HE ARG A 125 -6.510 1.643 -12.642 1.00 1.48 H new ATOM 0 HH11 ARG A 125 -7.951 4.422 -14.269 1.00 1.22 H new ATOM 0 HH12 ARG A 125 -7.510 3.842 -15.879 1.00 1.22 H new ATOM 0 HH21 ARG A 125 -5.967 0.941 -14.702 1.00 2.30 H new ATOM 0 HH22 ARG A 125 -6.403 1.902 -16.118 1.00 2.30 H new ATOM 2034 N GLU A 126 -10.489 -0.936 -9.480 1.00 0.37 N ATOM 2035 CA GLU A 126 -11.461 -1.988 -9.891 1.00 0.58 C ATOM 2036 C GLU A 126 -12.805 -1.793 -9.177 1.00 0.23 C ATOM 2037 O GLU A 126 -13.847 -1.768 -9.801 1.00 0.50 O ATOM 2038 CB GLU A 126 -10.896 -3.366 -9.535 1.00 0.99 C ATOM 2039 CG GLU A 126 -10.291 -4.010 -10.786 1.00 1.80 C ATOM 2040 CD GLU A 126 -9.278 -5.078 -10.370 1.00 2.84 C ATOM 2041 OE1 GLU A 126 -9.608 -5.875 -9.508 1.00 3.35 O ATOM 2042 OE2 GLU A 126 -8.190 -5.080 -10.922 1.00 3.56 O ATOM 0 H GLU A 126 -9.919 -1.162 -8.665 1.00 0.37 H new ATOM 0 HA GLU A 126 -11.622 -1.914 -10.967 1.00 0.58 H new ATOM 0 HB2 GLU A 126 -10.136 -3.270 -8.759 1.00 0.99 H new ATOM 0 HB3 GLU A 126 -11.685 -4.001 -9.132 1.00 0.99 H new ATOM 0 HG2 GLU A 126 -11.077 -4.457 -11.395 1.00 1.80 H new ATOM 0 HG3 GLU A 126 -9.805 -3.252 -11.400 1.00 1.80 H new ATOM 2049 N LYS A 127 -12.796 -1.683 -7.876 1.00 0.25 N ATOM 2050 CA LYS A 127 -14.084 -1.522 -7.133 1.00 0.62 C ATOM 2051 C LYS A 127 -14.446 -0.041 -6.969 1.00 0.84 C ATOM 2052 O LYS A 127 -15.607 0.308 -6.876 1.00 1.18 O ATOM 2053 CB LYS A 127 -13.953 -2.173 -5.755 1.00 0.96 C ATOM 2054 CG LYS A 127 -13.774 -3.684 -5.924 1.00 0.45 C ATOM 2055 CD LYS A 127 -14.043 -4.386 -4.591 1.00 0.67 C ATOM 2056 CE LYS A 127 -13.900 -5.899 -4.775 1.00 0.65 C ATOM 2057 NZ LYS A 127 -14.771 -6.604 -3.794 1.00 1.22 N ATOM 0 H LYS A 127 -11.957 -1.697 -7.295 1.00 0.25 H new ATOM 0 HA LYS A 127 -14.877 -2.005 -7.703 1.00 0.62 H new ATOM 0 HB2 LYS A 127 -13.101 -1.752 -5.221 1.00 0.96 H new ATOM 0 HB3 LYS A 127 -14.840 -1.965 -5.156 1.00 0.96 H new ATOM 0 HG2 LYS A 127 -14.456 -4.058 -6.687 1.00 0.45 H new ATOM 0 HG3 LYS A 127 -12.762 -3.905 -6.265 1.00 0.45 H new ATOM 0 HD2 LYS A 127 -13.343 -4.033 -3.834 1.00 0.67 H new ATOM 0 HD3 LYS A 127 -15.045 -4.145 -4.236 1.00 0.67 H new ATOM 0 HE2 LYS A 127 -14.177 -6.180 -5.791 1.00 0.65 H new ATOM 0 HE3 LYS A 127 -12.861 -6.196 -4.634 1.00 0.65 H new ATOM 0 HZ1 LYS A 127 -14.674 -7.632 -3.919 1.00 1.22 H new ATOM 0 HZ2 LYS A 127 -14.487 -6.344 -2.828 1.00 1.22 H new ATOM 0 HZ3 LYS A 127 -15.762 -6.329 -3.949 1.00 1.22 H new ATOM 2071 N TYR A 128 -13.482 0.837 -6.926 1.00 0.70 N ATOM 2072 CA TYR A 128 -13.816 2.284 -6.761 1.00 1.00 C ATOM 2073 C TYR A 128 -14.153 2.920 -8.119 1.00 1.26 C ATOM 2074 O TYR A 128 -14.342 4.117 -8.213 1.00 1.61 O ATOM 2075 CB TYR A 128 -12.631 3.023 -6.133 1.00 0.81 C ATOM 2076 CG TYR A 128 -12.348 2.447 -4.767 1.00 0.40 C ATOM 2077 CD1 TYR A 128 -13.381 2.341 -3.828 1.00 1.47 C ATOM 2078 CD2 TYR A 128 -11.056 2.018 -4.438 1.00 0.70 C ATOM 2079 CE1 TYR A 128 -13.122 1.807 -2.561 1.00 2.24 C ATOM 2080 CE2 TYR A 128 -10.799 1.483 -3.171 1.00 1.51 C ATOM 2081 CZ TYR A 128 -11.832 1.378 -2.232 1.00 2.19 C ATOM 2082 OH TYR A 128 -11.579 0.851 -0.983 1.00 3.12 O ATOM 0 H TYR A 128 -12.488 0.621 -6.997 1.00 0.70 H new ATOM 0 HA TYR A 128 -14.685 2.364 -6.109 1.00 1.00 H new ATOM 0 HB2 TYR A 128 -11.751 2.929 -6.769 1.00 0.81 H new ATOM 0 HB3 TYR A 128 -12.853 4.087 -6.052 1.00 0.81 H new ATOM 0 HD1 TYR A 128 -14.377 2.671 -4.082 1.00 1.47 H new ATOM 0 HD2 TYR A 128 -10.259 2.100 -5.162 1.00 0.70 H new ATOM 0 HE1 TYR A 128 -13.919 1.726 -1.836 1.00 2.24 H new ATOM 0 HE2 TYR A 128 -9.803 1.151 -2.917 1.00 1.51 H new ATOM 0 HH TYR A 128 -10.611 0.765 -0.854 1.00 3.12 H new