USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 699 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 HIS : no HD1:sc= -17.7! C(o=-23!,f=-26!) USER MOD Set 1.2: A 88 MET CE :methyl 169:sc= -5.35! (180deg=-5.96!) USER MOD Single : A 7 LYS NZ :NH3+ 174:sc= 0.728 (180deg=0.55) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0466 USER MOD Single : A 15 THR OG1 : rot -45:sc= 0.566 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -3.5! K(o=-3.5!,f=0.05) USER MOD Single : A 19 GLN : amide:sc= -0.474 X(o=-0.47,f=0) USER MOD Single : A 21 GLN : amide:sc= -1.27! K(o=-1.3!,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 170:sc= -0.992 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.16) USER MOD Single : A 29 THR OG1 : rot -80:sc= 0.00781 USER MOD Single : A 30 SER OG : rot -61:sc=0.000103 USER MOD Single : A 46 ASN : amide:sc= -15.7! C(o=-16!,f=-7.5!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot -40:sc= -0.747 USER MOD Single : A 54 THR OG1 : rot -92:sc= 0.107 USER MOD Single : A 57 HIS : no HD1:sc= -6.5! C(o=-6.5!,f=-6.1!) USER MOD Single : A 60 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.13) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -110:sc= 0.258 USER MOD Single : A 75 GLN : amide:sc= -4.65! C(o=-4.7!,f=-2.5!) USER MOD Single : A 78 MET CE :methyl 169:sc= -5.63 (180deg=-6.48!) USER MOD Single : A 79 LYS NZ :NH3+ -153:sc= -0.0449 (180deg=-0.29) USER MOD Single : A 81 LYS NZ :NH3+ 161:sc= -19.4! (180deg=-21!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -169:sc= -11.8! (180deg=-12.8!) USER MOD Single : A 92 SER OG : rot 113:sc= -4.03! USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -6.35! C(o=-6.4!,f=-16!) USER MOD Single : A 105 SER OG : rot -8:sc= 0.672! USER MOD ----------------------------------------------------------------- ATOM 77 N LEU A 5 11.405 -3.216 -2.685 1.00 0.00 N ATOM 78 CA LEU A 5 12.190 -3.845 -3.728 1.00 0.00 C ATOM 79 C LEU A 5 13.450 -3.032 -3.989 1.00 0.00 C ATOM 80 O LEU A 5 13.457 -1.818 -3.801 1.00 0.00 O ATOM 81 CB LEU A 5 11.349 -3.961 -4.997 1.00 0.00 C ATOM 82 CG LEU A 5 10.526 -5.244 -4.945 1.00 0.00 C ATOM 83 CD1 LEU A 5 9.444 -5.198 -6.021 1.00 0.00 C ATOM 84 CD2 LEU A 5 11.437 -6.443 -5.191 1.00 0.00 C ATOM 0 HA LEU A 5 12.487 -4.845 -3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.691 -3.097 -5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 5 11.995 -3.966 -5.875 1.00 0.00 H new ATOM 0 HG LEU A 5 10.060 -5.337 -3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.855 -6.115 -5.984 1.00 0.00 H new ATOM 0 HD12 LEU A 5 8.793 -4.341 -5.846 1.00 0.00 H new ATOM 0 HD13 LEU A 5 9.910 -5.105 -7.002 1.00 0.00 H new ATOM 0 HD21 LEU A 5 10.849 -7.360 -5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 5 11.903 -6.350 -6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 5 12.210 -6.476 -4.423 1.00 0.00 H new ATOM 96 N CYS A 6 14.518 -3.706 -4.423 1.00 0.00 N ATOM 97 CA CYS A 6 15.776 -3.047 -4.707 1.00 0.00 C ATOM 98 C CYS A 6 16.491 -3.767 -5.841 1.00 0.00 C ATOM 99 O CYS A 6 16.195 -4.926 -6.127 1.00 0.00 O ATOM 100 CB CYS A 6 16.637 -3.031 -3.447 1.00 0.00 C ATOM 101 SG CYS A 6 15.789 -2.384 -1.985 1.00 0.00 S ATOM 0 H CYS A 6 14.527 -4.713 -4.583 1.00 0.00 H new ATOM 0 HA CYS A 6 15.591 -2.019 -5.017 1.00 0.00 H new ATOM 0 HB2 CYS A 6 16.977 -4.046 -3.238 1.00 0.00 H new ATOM 0 HB3 CYS A 6 17.526 -2.429 -3.635 1.00 0.00 H new ATOM 106 N LYS A 7 17.435 -3.079 -6.486 1.00 0.00 N ATOM 107 CA LYS A 7 18.185 -3.657 -7.584 1.00 0.00 C ATOM 108 C LYS A 7 19.273 -4.573 -7.041 1.00 0.00 C ATOM 109 O LYS A 7 20.043 -4.180 -6.167 1.00 0.00 O ATOM 110 CB LYS A 7 18.790 -2.540 -8.428 1.00 0.00 C ATOM 111 CG LYS A 7 18.167 -2.561 -9.821 1.00 0.00 C ATOM 112 CD LYS A 7 17.873 -1.133 -10.269 1.00 0.00 C ATOM 113 CE LYS A 7 16.776 -1.148 -11.331 1.00 0.00 C ATOM 114 NZ LYS A 7 17.293 -0.691 -12.630 1.00 0.00 N ATOM 0 H LYS A 7 17.693 -2.118 -6.260 1.00 0.00 H new ATOM 0 HA LYS A 7 17.520 -4.250 -8.212 1.00 0.00 H new ATOM 0 HB2 LYS A 7 18.614 -1.575 -7.953 1.00 0.00 H new ATOM 0 HB3 LYS A 7 19.870 -2.668 -8.499 1.00 0.00 H new ATOM 0 HG2 LYS A 7 18.844 -3.043 -10.526 1.00 0.00 H new ATOM 0 HG3 LYS A 7 17.248 -3.147 -9.811 1.00 0.00 H new ATOM 0 HD2 LYS A 7 17.560 -0.530 -9.416 1.00 0.00 H new ATOM 0 HD3 LYS A 7 18.776 -0.673 -10.670 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.375 -2.157 -11.430 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.953 -0.506 -11.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.558 -0.806 -13.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.560 0.312 -12.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.127 -1.255 -12.890 1.00 0.00 H new ATOM 128 N PHE A 8 19.335 -5.800 -7.564 1.00 0.00 N ATOM 129 CA PHE A 8 20.328 -6.764 -7.130 1.00 0.00 C ATOM 130 C PHE A 8 21.110 -7.275 -8.333 1.00 0.00 C ATOM 131 O PHE A 8 20.842 -8.365 -8.831 1.00 0.00 O ATOM 132 CB PHE A 8 19.635 -7.915 -6.407 1.00 0.00 C ATOM 133 CG PHE A 8 20.551 -8.690 -5.492 1.00 0.00 C ATOM 134 CD1 PHE A 8 21.445 -9.627 -6.025 1.00 0.00 C ATOM 135 CD2 PHE A 8 20.510 -8.470 -4.109 1.00 0.00 C ATOM 136 CE1 PHE A 8 22.296 -10.345 -5.176 1.00 0.00 C ATOM 137 CE2 PHE A 8 21.362 -9.188 -3.261 1.00 0.00 C ATOM 138 CZ PHE A 8 22.255 -10.125 -3.794 1.00 0.00 C ATOM 0 H PHE A 8 18.705 -6.142 -8.289 1.00 0.00 H new ATOM 0 HA PHE A 8 21.027 -6.289 -6.442 1.00 0.00 H new ATOM 0 HB2 PHE A 8 18.803 -7.519 -5.825 1.00 0.00 H new ATOM 0 HB3 PHE A 8 19.212 -8.596 -7.146 1.00 0.00 H new ATOM 0 HD1 PHE A 8 21.478 -9.796 -7.091 1.00 0.00 H new ATOM 0 HD2 PHE A 8 19.822 -7.747 -3.697 1.00 0.00 H new ATOM 0 HE1 PHE A 8 22.984 -11.069 -5.587 1.00 0.00 H new ATOM 0 HE2 PHE A 8 21.330 -9.019 -2.195 1.00 0.00 H new ATOM 0 HZ PHE A 8 22.912 -10.678 -3.139 1.00 0.00 H new ATOM 148 N CYS A 9 22.080 -6.483 -8.795 1.00 0.00 N ATOM 149 CA CYS A 9 22.895 -6.857 -9.932 1.00 0.00 C ATOM 150 C CYS A 9 24.362 -6.879 -9.529 1.00 0.00 C ATOM 151 O CYS A 9 24.788 -6.095 -8.684 1.00 0.00 O ATOM 152 CB CYS A 9 22.663 -5.868 -11.072 1.00 0.00 C ATOM 153 SG CYS A 9 24.009 -4.681 -11.301 1.00 0.00 S ATOM 0 H CYS A 9 22.314 -5.576 -8.391 1.00 0.00 H new ATOM 0 HA CYS A 9 22.616 -7.854 -10.272 1.00 0.00 H new ATOM 0 HB2 CYS A 9 22.521 -6.424 -11.999 1.00 0.00 H new ATOM 0 HB3 CYS A 9 21.739 -5.322 -10.883 1.00 0.00 H new ATOM 158 N ASP A 10 25.136 -7.782 -10.136 1.00 0.00 N ATOM 159 CA ASP A 10 26.549 -7.903 -9.836 1.00 0.00 C ATOM 160 C ASP A 10 27.296 -6.691 -10.378 1.00 0.00 C ATOM 161 O ASP A 10 26.753 -5.932 -11.177 1.00 0.00 O ATOM 162 CB ASP A 10 27.091 -9.190 -10.449 1.00 0.00 C ATOM 163 CG ASP A 10 26.017 -10.268 -10.487 1.00 0.00 C ATOM 164 OD1 ASP A 10 25.471 -10.564 -9.401 1.00 0.00 O ATOM 165 OD2 ASP A 10 25.761 -10.777 -11.599 1.00 0.00 O ATOM 0 H ASP A 10 24.798 -8.439 -10.840 1.00 0.00 H new ATOM 0 HA ASP A 10 26.693 -7.942 -8.756 1.00 0.00 H new ATOM 0 HB2 ASP A 10 27.450 -8.993 -11.459 1.00 0.00 H new ATOM 0 HB3 ASP A 10 27.945 -9.542 -9.870 1.00 0.00 H new ATOM 170 N VAL A 11 28.544 -6.512 -9.941 1.00 0.00 N ATOM 171 CA VAL A 11 29.357 -5.396 -10.383 1.00 0.00 C ATOM 172 C VAL A 11 29.917 -5.685 -11.768 1.00 0.00 C ATOM 173 O VAL A 11 30.720 -6.600 -11.937 1.00 0.00 O ATOM 174 CB VAL A 11 30.483 -5.161 -9.380 1.00 0.00 C ATOM 175 CG1 VAL A 11 30.618 -6.378 -8.470 1.00 0.00 C ATOM 176 CG2 VAL A 11 31.794 -4.941 -10.132 1.00 0.00 C ATOM 0 H VAL A 11 29.008 -7.133 -9.278 1.00 0.00 H new ATOM 0 HA VAL A 11 28.747 -4.494 -10.441 1.00 0.00 H new ATOM 0 HB VAL A 11 30.255 -4.282 -8.778 1.00 0.00 H new ATOM 0 HG11 VAL A 11 31.422 -6.209 -7.754 1.00 0.00 H new ATOM 0 HG12 VAL A 11 29.682 -6.537 -7.934 1.00 0.00 H new ATOM 0 HG13 VAL A 11 30.846 -7.258 -9.071 1.00 0.00 H new ATOM 0 HG21 VAL A 11 32.600 -4.773 -9.417 1.00 0.00 H new ATOM 0 HG22 VAL A 11 32.020 -5.821 -10.734 1.00 0.00 H new ATOM 0 HG23 VAL A 11 31.699 -4.072 -10.782 1.00 0.00 H new ATOM 186 N LYS A 12 29.493 -4.900 -12.761 1.00 0.00 N ATOM 187 CA LYS A 12 29.955 -5.076 -14.123 1.00 0.00 C ATOM 188 C LYS A 12 30.382 -3.734 -14.702 1.00 0.00 C ATOM 189 O LYS A 12 30.007 -2.683 -14.185 1.00 0.00 O ATOM 190 CB LYS A 12 28.841 -5.695 -14.961 1.00 0.00 C ATOM 191 CG LYS A 12 27.497 -5.453 -14.279 1.00 0.00 C ATOM 192 CD LYS A 12 27.158 -3.966 -14.335 1.00 0.00 C ATOM 193 CE LYS A 12 25.887 -3.765 -15.154 1.00 0.00 C ATOM 194 NZ LYS A 12 26.136 -4.004 -16.584 1.00 0.00 N ATOM 0 H LYS A 12 28.828 -4.136 -12.638 1.00 0.00 H new ATOM 0 HA LYS A 12 30.816 -5.744 -14.135 1.00 0.00 H new ATOM 0 HB2 LYS A 12 28.838 -5.259 -15.960 1.00 0.00 H new ATOM 0 HB3 LYS A 12 29.013 -6.765 -15.081 1.00 0.00 H new ATOM 0 HG2 LYS A 12 26.717 -6.033 -14.772 1.00 0.00 H new ATOM 0 HG3 LYS A 12 27.537 -5.789 -13.243 1.00 0.00 H new ATOM 0 HD2 LYS A 12 27.019 -3.575 -13.327 1.00 0.00 H new ATOM 0 HD3 LYS A 12 27.983 -3.411 -14.781 1.00 0.00 H new ATOM 0 HE2 LYS A 12 25.111 -4.442 -14.799 1.00 0.00 H new ATOM 0 HE3 LYS A 12 25.515 -2.751 -15.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 25.255 -3.861 -17.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 26.860 -3.341 -16.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 26.468 -4.980 -16.720 1.00 0.00 H new ATOM 208 N ALA A 13 31.172 -3.773 -15.778 1.00 0.00 N ATOM 209 CA ALA A 13 31.647 -2.564 -16.421 1.00 0.00 C ATOM 210 C ALA A 13 30.468 -1.663 -16.760 1.00 0.00 C ATOM 211 O ALA A 13 29.635 -2.012 -17.593 1.00 0.00 O ATOM 212 CB ALA A 13 32.427 -2.932 -17.680 1.00 0.00 C ATOM 0 H ALA A 13 31.492 -4.636 -16.217 1.00 0.00 H new ATOM 0 HA ALA A 13 32.309 -2.023 -15.745 1.00 0.00 H new ATOM 0 HB1 ALA A 13 32.785 -2.024 -18.165 1.00 0.00 H new ATOM 0 HB2 ALA A 13 33.277 -3.559 -17.411 1.00 0.00 H new ATOM 0 HB3 ALA A 13 31.777 -3.477 -18.365 1.00 0.00 H new ATOM 218 N THR A 14 30.400 -0.498 -16.111 1.00 0.00 N ATOM 219 CA THR A 14 29.325 0.444 -16.350 1.00 0.00 C ATOM 220 C THR A 14 29.831 1.607 -17.191 1.00 0.00 C ATOM 221 O THR A 14 31.034 1.851 -17.262 1.00 0.00 O ATOM 222 CB THR A 14 28.780 0.941 -15.014 1.00 0.00 C ATOM 223 OG1 THR A 14 27.730 1.853 -15.245 1.00 0.00 O ATOM 224 CG2 THR A 14 29.894 1.634 -14.235 1.00 0.00 C ATOM 0 H THR A 14 31.082 -0.192 -15.417 1.00 0.00 H new ATOM 0 HA THR A 14 28.521 -0.049 -16.897 1.00 0.00 H new ATOM 0 HB THR A 14 28.406 0.095 -14.437 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.378 2.171 -14.387 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.504 1.989 -13.281 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.706 0.929 -14.056 1.00 0.00 H new ATOM 0 HG23 THR A 14 30.269 2.480 -14.811 1.00 0.00 H new ATOM 232 N THR A 15 28.907 2.327 -17.830 1.00 0.00 N ATOM 233 CA THR A 15 29.264 3.460 -18.661 1.00 0.00 C ATOM 234 C THR A 15 28.706 4.742 -18.058 1.00 0.00 C ATOM 235 O THR A 15 28.535 5.737 -18.757 1.00 0.00 O ATOM 236 CB THR A 15 28.721 3.246 -20.071 1.00 0.00 C ATOM 237 OG1 THR A 15 29.259 4.222 -20.934 1.00 0.00 O ATOM 238 CG2 THR A 15 27.200 3.363 -20.055 1.00 0.00 C ATOM 0 H THR A 15 27.906 2.139 -17.783 1.00 0.00 H new ATOM 0 HA THR A 15 30.349 3.549 -18.712 1.00 0.00 H new ATOM 0 HB THR A 15 29.004 2.254 -20.423 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.207 5.102 -20.505 1.00 0.00 H new ATOM 0 HG21 THR A 15 26.813 3.210 -21.062 1.00 0.00 H new ATOM 0 HG22 THR A 15 26.784 2.608 -19.388 1.00 0.00 H new ATOM 0 HG23 THR A 15 26.915 4.355 -19.703 1.00 0.00 H new ATOM 246 N CYS A 16 28.424 4.713 -16.754 1.00 0.00 N ATOM 247 CA CYS A 16 27.890 5.867 -16.061 1.00 0.00 C ATOM 248 C CYS A 16 29.030 6.717 -15.519 1.00 0.00 C ATOM 249 O CYS A 16 30.005 6.187 -14.991 1.00 0.00 O ATOM 250 CB CYS A 16 26.976 5.403 -14.930 1.00 0.00 C ATOM 251 SG CYS A 16 25.329 6.154 -14.960 1.00 0.00 S ATOM 0 H CYS A 16 28.561 3.894 -16.162 1.00 0.00 H new ATOM 0 HA CYS A 16 27.308 6.475 -16.754 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.871 4.319 -14.983 1.00 0.00 H new ATOM 0 HB3 CYS A 16 27.451 5.631 -13.976 1.00 0.00 H new ATOM 256 N SER A 17 28.906 8.040 -15.650 1.00 0.00 N ATOM 257 CA SER A 17 29.925 8.953 -15.173 1.00 0.00 C ATOM 258 C SER A 17 29.430 9.675 -13.928 1.00 0.00 C ATOM 259 O SER A 17 28.229 9.719 -13.669 1.00 0.00 O ATOM 260 CB SER A 17 30.270 9.950 -16.275 1.00 0.00 C ATOM 261 OG SER A 17 31.154 9.349 -17.195 1.00 0.00 O ATOM 0 H SER A 17 28.104 8.495 -16.085 1.00 0.00 H new ATOM 0 HA SER A 17 30.824 8.395 -14.911 1.00 0.00 H new ATOM 0 HB2 SER A 17 29.362 10.273 -16.785 1.00 0.00 H new ATOM 0 HB3 SER A 17 30.727 10.841 -15.844 1.00 0.00 H new ATOM 0 HG SER A 17 31.374 9.989 -17.904 1.00 0.00 H new ATOM 267 N ASN A 18 30.360 10.243 -13.157 1.00 0.00 N ATOM 268 CA ASN A 18 30.014 10.960 -11.946 1.00 0.00 C ATOM 269 C ASN A 18 29.223 12.213 -12.294 1.00 0.00 C ATOM 270 O ASN A 18 29.700 13.328 -12.093 1.00 0.00 O ATOM 271 CB ASN A 18 31.289 11.318 -11.188 1.00 0.00 C ATOM 272 CG ASN A 18 32.264 12.064 -12.087 1.00 0.00 C ATOM 273 OD1 ASN A 18 32.448 13.271 -11.941 1.00 0.00 O ATOM 274 ND2 ASN A 18 32.893 11.343 -13.018 1.00 0.00 N ATOM 0 H ASN A 18 31.360 10.215 -13.358 1.00 0.00 H new ATOM 0 HA ASN A 18 29.393 10.329 -11.310 1.00 0.00 H new ATOM 0 HB2 ASN A 18 31.042 11.934 -10.323 1.00 0.00 H new ATOM 0 HB3 ASN A 18 31.759 10.410 -10.809 1.00 0.00 H new ATOM 0 HD21 ASN A 18 33.559 11.792 -13.647 1.00 0.00 H new ATOM 0 HD22 ASN A 18 32.707 10.343 -13.101 1.00 0.00 H new ATOM 281 N GLN A 19 28.009 12.025 -12.816 1.00 0.00 N ATOM 282 CA GLN A 19 27.158 13.138 -13.188 1.00 0.00 C ATOM 283 C GLN A 19 26.071 13.331 -12.140 1.00 0.00 C ATOM 284 O GLN A 19 25.775 12.417 -11.374 1.00 0.00 O ATOM 285 CB GLN A 19 26.544 12.870 -14.560 1.00 0.00 C ATOM 286 CG GLN A 19 27.596 12.251 -15.476 1.00 0.00 C ATOM 287 CD GLN A 19 28.484 13.325 -16.088 1.00 0.00 C ATOM 288 OE1 GLN A 19 28.205 13.814 -17.180 1.00 0.00 O ATOM 289 NE2 GLN A 19 29.556 13.689 -15.381 1.00 0.00 N ATOM 0 H GLN A 19 27.600 11.107 -12.988 1.00 0.00 H new ATOM 0 HA GLN A 19 27.750 14.052 -13.240 1.00 0.00 H new ATOM 0 HB2 GLN A 19 25.690 12.199 -14.463 1.00 0.00 H new ATOM 0 HB3 GLN A 19 26.172 13.799 -14.992 1.00 0.00 H new ATOM 0 HG2 GLN A 19 28.207 11.547 -14.911 1.00 0.00 H new ATOM 0 HG3 GLN A 19 27.106 11.684 -16.268 1.00 0.00 H new ATOM 0 HE21 GLN A 19 29.744 13.252 -14.479 1.00 0.00 H new ATOM 0 HE22 GLN A 19 30.187 14.404 -15.743 1.00 0.00 H new ATOM 298 N ASP A 20 25.476 14.525 -12.109 1.00 0.00 N ATOM 299 CA ASP A 20 24.427 14.832 -11.156 1.00 0.00 C ATOM 300 C ASP A 20 23.461 13.660 -11.060 1.00 0.00 C ATOM 301 O ASP A 20 22.937 13.372 -9.986 1.00 0.00 O ATOM 302 CB ASP A 20 23.699 16.099 -11.594 1.00 0.00 C ATOM 303 CG ASP A 20 23.153 15.951 -13.008 1.00 0.00 C ATOM 304 OD1 ASP A 20 23.986 15.791 -13.924 1.00 0.00 O ATOM 305 OD2 ASP A 20 21.911 16.002 -13.144 1.00 0.00 O ATOM 0 H ASP A 20 25.709 15.293 -12.739 1.00 0.00 H new ATOM 0 HA ASP A 20 24.861 15.001 -10.171 1.00 0.00 H new ATOM 0 HB2 ASP A 20 22.882 16.310 -10.905 1.00 0.00 H new ATOM 0 HB3 ASP A 20 24.381 16.948 -11.550 1.00 0.00 H new ATOM 310 N GLN A 21 23.225 12.985 -12.187 1.00 0.00 N ATOM 311 CA GLN A 21 22.323 11.851 -12.222 1.00 0.00 C ATOM 312 C GLN A 21 22.886 10.771 -13.136 1.00 0.00 C ATOM 313 O GLN A 21 23.250 11.048 -14.277 1.00 0.00 O ATOM 314 CB GLN A 21 20.950 12.309 -12.708 1.00 0.00 C ATOM 315 CG GLN A 21 19.887 11.318 -12.242 1.00 0.00 C ATOM 316 CD GLN A 21 18.562 12.023 -11.990 1.00 0.00 C ATOM 317 OE1 GLN A 21 17.984 12.605 -12.904 1.00 0.00 O ATOM 318 NE2 GLN A 21 18.083 11.970 -10.744 1.00 0.00 N ATOM 0 H GLN A 21 23.651 13.211 -13.086 1.00 0.00 H new ATOM 0 HA GLN A 21 22.219 11.433 -11.221 1.00 0.00 H new ATOM 0 HB2 GLN A 21 20.729 13.304 -12.321 1.00 0.00 H new ATOM 0 HB3 GLN A 21 20.943 12.381 -13.796 1.00 0.00 H new ATOM 0 HG2 GLN A 21 19.753 10.541 -12.995 1.00 0.00 H new ATOM 0 HG3 GLN A 21 20.220 10.823 -11.329 1.00 0.00 H new ATOM 0 HE21 GLN A 21 18.601 11.474 -10.019 1.00 0.00 H new ATOM 0 HE22 GLN A 21 17.199 12.426 -10.518 1.00 0.00 H new ATOM 327 N CYS A 22 22.955 9.537 -12.631 1.00 0.00 N ATOM 328 CA CYS A 22 23.471 8.423 -13.402 1.00 0.00 C ATOM 329 C CYS A 22 22.600 7.195 -13.178 1.00 0.00 C ATOM 330 O CYS A 22 21.841 7.137 -12.214 1.00 0.00 O ATOM 331 CB CYS A 22 24.914 8.146 -12.989 1.00 0.00 C ATOM 332 SG CYS A 22 26.076 8.081 -14.376 1.00 0.00 S ATOM 0 H CYS A 22 22.657 9.292 -11.687 1.00 0.00 H new ATOM 0 HA CYS A 22 23.452 8.669 -14.464 1.00 0.00 H new ATOM 0 HB2 CYS A 22 25.237 8.920 -12.293 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.952 7.199 -12.452 1.00 0.00 H new ATOM 337 N THR A 23 22.711 6.211 -14.074 1.00 0.00 N ATOM 338 CA THR A 23 21.933 4.994 -13.966 1.00 0.00 C ATOM 339 C THR A 23 22.854 3.814 -13.687 1.00 0.00 C ATOM 340 O THR A 23 24.017 3.822 -14.081 1.00 0.00 O ATOM 341 CB THR A 23 21.152 4.775 -15.259 1.00 0.00 C ATOM 342 OG1 THR A 23 20.321 5.888 -15.500 1.00 0.00 O ATOM 343 CG2 THR A 23 20.294 3.519 -15.128 1.00 0.00 C ATOM 0 H THR A 23 23.335 6.242 -14.880 1.00 0.00 H new ATOM 0 HA THR A 23 21.228 5.082 -13.140 1.00 0.00 H new ATOM 0 HB THR A 23 21.849 4.655 -16.089 1.00 0.00 H new ATOM 0 HG1 THR A 23 19.821 5.749 -16.331 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.736 3.362 -16.051 1.00 0.00 H new ATOM 0 HG22 THR A 23 20.936 2.658 -14.941 1.00 0.00 H new ATOM 0 HG23 THR A 23 19.597 3.639 -14.299 1.00 0.00 H new ATOM 351 N SER A 24 22.326 2.796 -13.002 1.00 0.00 N ATOM 352 CA SER A 24 23.099 1.615 -12.674 1.00 0.00 C ATOM 353 C SER A 24 23.127 0.668 -13.865 1.00 0.00 C ATOM 354 O SER A 24 24.009 -0.181 -13.967 1.00 0.00 O ATOM 355 CB SER A 24 22.490 0.932 -11.453 1.00 0.00 C ATOM 356 OG SER A 24 21.241 0.379 -11.800 1.00 0.00 O ATOM 0 H SER A 24 21.363 2.775 -12.667 1.00 0.00 H new ATOM 0 HA SER A 24 24.124 1.901 -12.440 1.00 0.00 H new ATOM 0 HB2 SER A 24 23.157 0.151 -11.089 1.00 0.00 H new ATOM 0 HB3 SER A 24 22.369 1.651 -10.643 1.00 0.00 H new ATOM 0 HG SER A 24 20.923 -0.194 -11.071 1.00 0.00 H new ATOM 362 N ASN A 25 22.154 0.816 -14.768 1.00 0.00 N ATOM 363 CA ASN A 25 22.073 -0.024 -15.945 1.00 0.00 C ATOM 364 C ASN A 25 21.598 -1.417 -15.557 1.00 0.00 C ATOM 365 O ASN A 25 21.281 -2.232 -16.421 1.00 0.00 O ATOM 366 CB ASN A 25 23.440 -0.088 -16.619 1.00 0.00 C ATOM 367 CG ASN A 25 23.311 -0.520 -18.072 1.00 0.00 C ATOM 368 OD1 ASN A 25 23.470 -1.698 -18.387 1.00 0.00 O ATOM 369 ND2 ASN A 25 23.019 0.434 -18.958 1.00 0.00 N ATOM 0 H ASN A 25 21.414 1.514 -14.698 1.00 0.00 H new ATOM 0 HA ASN A 25 21.355 0.399 -16.647 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.921 0.889 -16.568 1.00 0.00 H new ATOM 0 HB3 ASN A 25 24.081 -0.788 -16.083 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.918 0.199 -19.946 1.00 0.00 H new ATOM 0 HD22 ASN A 25 22.896 1.398 -18.648 1.00 0.00 H new ATOM 376 N CYS A 26 21.550 -1.688 -14.250 1.00 0.00 N ATOM 377 CA CYS A 26 21.114 -2.977 -13.752 1.00 0.00 C ATOM 378 C CYS A 26 19.610 -3.120 -13.937 1.00 0.00 C ATOM 379 O CYS A 26 18.877 -2.137 -13.857 1.00 0.00 O ATOM 380 CB CYS A 26 21.494 -3.107 -12.279 1.00 0.00 C ATOM 381 SG CYS A 26 23.277 -3.074 -11.974 1.00 0.00 S ATOM 0 H CYS A 26 21.811 -1.023 -13.522 1.00 0.00 H new ATOM 0 HA CYS A 26 21.605 -3.773 -14.312 1.00 0.00 H new ATOM 0 HB2 CYS A 26 21.025 -2.297 -11.720 1.00 0.00 H new ATOM 0 HB3 CYS A 26 21.086 -4.040 -11.890 1.00 0.00 H new ATOM 386 N ASN A 27 19.151 -4.349 -14.184 1.00 0.00 N ATOM 387 CA ASN A 27 17.738 -4.610 -14.379 1.00 0.00 C ATOM 388 C ASN A 27 17.321 -5.831 -13.569 1.00 0.00 C ATOM 389 O ASN A 27 16.907 -6.842 -14.132 1.00 0.00 O ATOM 390 CB ASN A 27 17.462 -4.826 -15.863 1.00 0.00 C ATOM 391 CG ASN A 27 18.013 -3.675 -16.692 1.00 0.00 C ATOM 392 OD1 ASN A 27 18.907 -3.870 -17.512 1.00 0.00 O ATOM 393 ND2 ASN A 27 17.475 -2.472 -16.478 1.00 0.00 N ATOM 0 H ASN A 27 19.745 -5.175 -14.252 1.00 0.00 H new ATOM 0 HA ASN A 27 17.156 -3.755 -14.035 1.00 0.00 H new ATOM 0 HB2 ASN A 27 17.914 -5.763 -16.188 1.00 0.00 H new ATOM 0 HB3 ASN A 27 16.388 -4.916 -16.028 1.00 0.00 H new ATOM 0 HD21 ASN A 27 17.805 -1.664 -17.007 1.00 0.00 H new ATOM 0 HD22 ASN A 27 16.734 -2.360 -15.786 1.00 0.00 H new ATOM 400 N ILE A 28 17.433 -5.733 -12.242 1.00 0.00 N ATOM 401 CA ILE A 28 17.067 -6.822 -11.361 1.00 0.00 C ATOM 402 C ILE A 28 16.192 -6.299 -10.231 1.00 0.00 C ATOM 403 O ILE A 28 16.382 -5.178 -9.763 1.00 0.00 O ATOM 404 CB ILE A 28 18.331 -7.476 -10.808 1.00 0.00 C ATOM 405 CG1 ILE A 28 19.032 -8.250 -11.920 1.00 0.00 C ATOM 406 CG2 ILE A 28 17.957 -8.432 -9.680 1.00 0.00 C ATOM 407 CD1 ILE A 28 20.417 -8.683 -11.445 1.00 0.00 C ATOM 0 H ILE A 28 17.777 -4.902 -11.761 1.00 0.00 H new ATOM 0 HA ILE A 28 16.501 -7.569 -11.917 1.00 0.00 H new ATOM 0 HB ILE A 28 19.000 -6.706 -10.424 1.00 0.00 H new ATOM 0 HG12 ILE A 28 18.442 -9.123 -12.198 1.00 0.00 H new ATOM 0 HG13 ILE A 28 19.119 -7.628 -12.811 1.00 0.00 H new ATOM 0 HG21 ILE A 28 18.859 -8.899 -9.285 1.00 0.00 H new ATOM 0 HG22 ILE A 28 17.457 -7.879 -8.885 1.00 0.00 H new ATOM 0 HG23 ILE A 28 17.287 -9.202 -10.063 1.00 0.00 H new ATOM 0 HD11 ILE A 28 20.918 -9.236 -12.240 1.00 0.00 H new ATOM 0 HD12 ILE A 28 21.006 -7.802 -11.189 1.00 0.00 H new ATOM 0 HD13 ILE A 28 20.318 -9.320 -10.566 1.00 0.00 H new ATOM 419 N THR A 29 15.229 -7.113 -9.791 1.00 0.00 N ATOM 420 CA THR A 29 14.334 -6.725 -8.720 1.00 0.00 C ATOM 421 C THR A 29 14.411 -7.739 -7.587 1.00 0.00 C ATOM 422 O THR A 29 13.845 -8.826 -7.681 1.00 0.00 O ATOM 423 CB THR A 29 12.910 -6.626 -9.260 1.00 0.00 C ATOM 424 OG1 THR A 29 12.888 -5.754 -10.368 1.00 0.00 O ATOM 425 CG2 THR A 29 11.990 -6.086 -8.170 1.00 0.00 C ATOM 0 H THR A 29 15.056 -8.045 -10.167 1.00 0.00 H new ATOM 0 HA THR A 29 14.630 -5.752 -8.329 1.00 0.00 H new ATOM 0 HB THR A 29 12.568 -7.614 -9.568 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.882 -4.826 -10.054 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.973 -6.015 -8.555 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.008 -6.759 -7.313 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.331 -5.098 -7.862 1.00 0.00 H new ATOM 433 N SER A 30 15.116 -7.379 -6.513 1.00 0.00 N ATOM 434 CA SER A 30 15.264 -8.254 -5.367 1.00 0.00 C ATOM 435 C SER A 30 14.275 -7.855 -4.281 1.00 0.00 C ATOM 436 O SER A 30 14.176 -6.682 -3.930 1.00 0.00 O ATOM 437 CB SER A 30 16.697 -8.177 -4.850 1.00 0.00 C ATOM 438 OG SER A 30 17.034 -6.830 -4.601 1.00 0.00 O ATOM 0 H SER A 30 15.592 -6.482 -6.421 1.00 0.00 H new ATOM 0 HA SER A 30 15.053 -9.282 -5.661 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.798 -8.763 -3.937 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.382 -8.606 -5.581 1.00 0.00 H new ATOM 0 HG SER A 30 16.974 -6.318 -5.435 1.00 0.00 H new ATOM 444 N ILE A 31 13.543 -8.837 -3.750 1.00 0.00 N ATOM 445 CA ILE A 31 12.569 -8.587 -2.705 1.00 0.00 C ATOM 446 C ILE A 31 13.236 -8.699 -1.342 1.00 0.00 C ATOM 447 O ILE A 31 13.706 -9.771 -0.965 1.00 0.00 O ATOM 448 CB ILE A 31 11.423 -9.585 -2.831 1.00 0.00 C ATOM 449 CG1 ILE A 31 11.279 -10.015 -4.290 1.00 0.00 C ATOM 450 CG2 ILE A 31 10.125 -8.932 -2.363 1.00 0.00 C ATOM 451 CD1 ILE A 31 9.953 -10.748 -4.475 1.00 0.00 C ATOM 0 H ILE A 31 13.613 -9.814 -4.034 1.00 0.00 H new ATOM 0 HA ILE A 31 12.168 -7.579 -2.809 1.00 0.00 H new ATOM 0 HB ILE A 31 11.634 -10.458 -2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 31 11.319 -9.143 -4.943 1.00 0.00 H new ATOM 0 HG13 ILE A 31 12.108 -10.664 -4.573 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.306 -9.645 -2.453 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.227 -8.626 -1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 31 9.915 -8.058 -2.979 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.849 -11.055 -5.516 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.931 -11.628 -3.833 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.130 -10.084 -4.209 1.00 0.00 H new ATOM 463 N CYS A 32 13.275 -7.590 -0.601 1.00 0.00 N ATOM 464 CA CYS A 32 13.883 -7.569 0.715 1.00 0.00 C ATOM 465 C CYS A 32 12.804 -7.413 1.777 1.00 0.00 C ATOM 466 O CYS A 32 12.985 -6.680 2.746 1.00 0.00 O ATOM 467 CB CYS A 32 14.887 -6.423 0.792 1.00 0.00 C ATOM 468 SG CYS A 32 16.345 -6.651 -0.257 1.00 0.00 S ATOM 0 H CYS A 32 12.888 -6.694 -0.899 1.00 0.00 H new ATOM 0 HA CYS A 32 14.409 -8.507 0.893 1.00 0.00 H new ATOM 0 HB2 CYS A 32 14.388 -5.497 0.507 1.00 0.00 H new ATOM 0 HB3 CYS A 32 15.211 -6.306 1.826 1.00 0.00 H new ATOM 538 N GLU A 37 15.763 -4.621 5.033 1.00 0.00 N ATOM 539 CA GLU A 37 16.797 -4.375 4.047 1.00 0.00 C ATOM 540 C GLU A 37 16.457 -3.133 3.237 1.00 0.00 C ATOM 541 O GLU A 37 15.315 -2.677 3.241 1.00 0.00 O ATOM 542 CB GLU A 37 16.930 -5.595 3.138 1.00 0.00 C ATOM 543 CG GLU A 37 18.352 -6.140 3.224 1.00 0.00 C ATOM 544 CD GLU A 37 18.383 -7.628 2.907 1.00 0.00 C ATOM 545 OE1 GLU A 37 18.064 -7.967 1.747 1.00 0.00 O ATOM 546 OE2 GLU A 37 18.726 -8.399 3.830 1.00 0.00 O ATOM 0 HA GLU A 37 17.750 -4.204 4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 37 16.216 -6.363 3.435 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.695 -5.323 2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 37 18.995 -5.602 2.527 1.00 0.00 H new ATOM 0 HG3 GLU A 37 18.752 -5.969 4.223 1.00 0.00 H new ATOM 553 N VAL A 38 17.454 -2.585 2.539 1.00 0.00 N ATOM 554 CA VAL A 38 17.259 -1.401 1.727 1.00 0.00 C ATOM 555 C VAL A 38 18.015 -1.546 0.414 1.00 0.00 C ATOM 556 O VAL A 38 18.828 -2.454 0.261 1.00 0.00 O ATOM 557 CB VAL A 38 17.740 -0.173 2.496 1.00 0.00 C ATOM 558 CG1 VAL A 38 17.115 1.082 1.894 1.00 0.00 C ATOM 559 CG2 VAL A 38 17.326 -0.296 3.960 1.00 0.00 C ATOM 0 H VAL A 38 18.406 -2.951 2.526 1.00 0.00 H new ATOM 0 HA VAL A 38 16.199 -1.280 1.501 1.00 0.00 H new ATOM 0 HB VAL A 38 18.826 -0.105 2.430 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.458 1.959 2.443 1.00 0.00 H new ATOM 0 HG12 VAL A 38 17.410 1.170 0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.029 1.015 1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 38 17.669 0.580 4.510 1.00 0.00 H new ATOM 0 HG22 VAL A 38 16.240 -0.364 4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 38 17.773 -1.192 4.390 1.00 0.00 H new ATOM 569 N CYS A 39 17.745 -0.646 -0.535 1.00 0.00 N ATOM 570 CA CYS A 39 18.399 -0.677 -1.827 1.00 0.00 C ATOM 571 C CYS A 39 19.651 0.188 -1.791 1.00 0.00 C ATOM 572 O CYS A 39 19.582 1.368 -1.457 1.00 0.00 O ATOM 573 CB CYS A 39 17.431 -0.183 -2.899 1.00 0.00 C ATOM 574 SG CYS A 39 15.690 -0.490 -2.513 1.00 0.00 S ATOM 0 H CYS A 39 17.073 0.113 -0.423 1.00 0.00 H new ATOM 0 HA CYS A 39 18.693 -1.699 -2.066 1.00 0.00 H new ATOM 0 HB2 CYS A 39 17.578 0.888 -3.042 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.674 -0.667 -3.845 1.00 0.00 H new ATOM 579 N ALA A 40 20.797 -0.403 -2.137 1.00 0.00 N ATOM 580 CA ALA A 40 22.056 0.314 -2.142 1.00 0.00 C ATOM 581 C ALA A 40 22.826 -0.005 -3.415 1.00 0.00 C ATOM 582 O ALA A 40 22.988 -1.170 -3.770 1.00 0.00 O ATOM 583 CB ALA A 40 22.866 -0.075 -0.908 1.00 0.00 C ATOM 0 H ALA A 40 20.870 -1.381 -2.417 1.00 0.00 H new ATOM 0 HA ALA A 40 21.868 1.387 -2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 40 23.814 0.464 -0.910 1.00 0.00 H new ATOM 0 HB2 ALA A 40 22.305 0.181 -0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 40 23.058 -1.148 -0.922 1.00 0.00 H new ATOM 589 N ALA A 41 23.301 1.035 -4.103 1.00 0.00 N ATOM 590 CA ALA A 41 24.049 0.863 -5.333 1.00 0.00 C ATOM 591 C ALA A 41 25.338 1.668 -5.269 1.00 0.00 C ATOM 592 O ALA A 41 25.306 2.882 -5.070 1.00 0.00 O ATOM 593 CB ALA A 41 23.191 1.305 -6.515 1.00 0.00 C ATOM 0 H ALA A 41 23.176 2.007 -3.821 1.00 0.00 H new ATOM 0 HA ALA A 41 24.308 -0.188 -5.463 1.00 0.00 H new ATOM 0 HB1 ALA A 41 23.752 1.176 -7.440 1.00 0.00 H new ATOM 0 HB2 ALA A 41 22.285 0.700 -6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 41 22.922 2.355 -6.397 1.00 0.00 H new ATOM 599 N VAL A 42 26.477 0.991 -5.439 1.00 0.00 N ATOM 600 CA VAL A 42 27.769 1.645 -5.400 1.00 0.00 C ATOM 601 C VAL A 42 28.423 1.576 -6.773 1.00 0.00 C ATOM 602 O VAL A 42 28.617 0.492 -7.317 1.00 0.00 O ATOM 603 CB VAL A 42 28.647 0.973 -4.348 1.00 0.00 C ATOM 604 CG1 VAL A 42 28.358 -0.525 -4.326 1.00 0.00 C ATOM 605 CG2 VAL A 42 30.116 1.203 -4.691 1.00 0.00 C ATOM 0 H VAL A 42 26.520 -0.014 -5.605 1.00 0.00 H new ATOM 0 HA VAL A 42 27.643 2.694 -5.132 1.00 0.00 H new ATOM 0 HB VAL A 42 28.431 1.399 -3.368 1.00 0.00 H new ATOM 0 HG11 VAL A 42 28.985 -1.005 -3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 42 27.308 -0.690 -4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 42 28.574 -0.952 -5.306 1.00 0.00 H new ATOM 0 HG21 VAL A 42 30.744 0.724 -3.940 1.00 0.00 H new ATOM 0 HG22 VAL A 42 30.332 0.777 -5.671 1.00 0.00 H new ATOM 0 HG23 VAL A 42 30.323 2.273 -4.707 1.00 0.00 H new ATOM 615 N TRP A 43 28.761 2.739 -7.333 1.00 0.00 N ATOM 616 CA TRP A 43 29.391 2.801 -8.637 1.00 0.00 C ATOM 617 C TRP A 43 30.867 3.141 -8.484 1.00 0.00 C ATOM 618 O TRP A 43 31.213 4.204 -7.972 1.00 0.00 O ATOM 619 CB TRP A 43 28.682 3.844 -9.495 1.00 0.00 C ATOM 620 CG TRP A 43 29.425 4.260 -10.724 1.00 0.00 C ATOM 621 CD1 TRP A 43 29.232 3.753 -11.961 1.00 0.00 C ATOM 622 CD2 TRP A 43 30.482 5.259 -10.863 1.00 0.00 C ATOM 623 NE1 TRP A 43 30.090 4.367 -12.850 1.00 0.00 N ATOM 624 CE2 TRP A 43 30.885 5.305 -12.224 1.00 0.00 C ATOM 625 CE3 TRP A 43 31.140 6.131 -9.977 1.00 0.00 C ATOM 626 CZ2 TRP A 43 31.885 6.167 -12.683 1.00 0.00 C ATOM 627 CZ3 TRP A 43 32.145 6.999 -10.427 1.00 0.00 C ATOM 628 CH2 TRP A 43 32.519 7.020 -11.776 1.00 0.00 C ATOM 0 H TRP A 43 28.605 3.648 -6.897 1.00 0.00 H new ATOM 0 HA TRP A 43 29.312 1.831 -9.128 1.00 0.00 H new ATOM 0 HB2 TRP A 43 27.710 3.449 -9.792 1.00 0.00 H new ATOM 0 HB3 TRP A 43 28.494 4.728 -8.885 1.00 0.00 H new ATOM 0 HD1 TRP A 43 28.516 2.985 -12.215 1.00 0.00 H new ATOM 0 HE1 TRP A 43 30.131 4.154 -13.847 1.00 0.00 H new ATOM 0 HE3 TRP A 43 30.866 6.132 -8.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 32.164 6.174 -13.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 32.636 7.658 -9.726 1.00 0.00 H new ATOM 0 HH2 TRP A 43 33.294 7.692 -12.114 1.00 0.00 H new ATOM 639 N ARG A 44 31.738 2.232 -8.930 1.00 0.00 N ATOM 640 CA ARG A 44 33.170 2.438 -8.840 1.00 0.00 C ATOM 641 C ARG A 44 33.737 2.720 -10.223 1.00 0.00 C ATOM 642 O ARG A 44 33.195 2.259 -11.226 1.00 0.00 O ATOM 643 CB ARG A 44 33.822 1.200 -8.231 1.00 0.00 C ATOM 644 CG ARG A 44 32.756 0.341 -7.558 1.00 0.00 C ATOM 645 CD ARG A 44 33.397 -0.929 -7.007 1.00 0.00 C ATOM 646 NE ARG A 44 34.118 -1.652 -8.055 1.00 0.00 N ATOM 647 CZ ARG A 44 34.575 -2.900 -7.893 1.00 0.00 C ATOM 648 NH1 ARG A 44 34.378 -3.541 -6.733 1.00 0.00 N ATOM 649 NH2 ARG A 44 35.229 -3.510 -8.891 1.00 0.00 N ATOM 0 H ARG A 44 31.467 1.346 -9.357 1.00 0.00 H new ATOM 0 HA ARG A 44 33.380 3.296 -8.201 1.00 0.00 H new ATOM 0 HB2 ARG A 44 34.331 0.626 -9.005 1.00 0.00 H new ATOM 0 HB3 ARG A 44 34.579 1.495 -7.504 1.00 0.00 H new ATOM 0 HG2 ARG A 44 32.280 0.899 -6.752 1.00 0.00 H new ATOM 0 HG3 ARG A 44 31.975 0.085 -8.274 1.00 0.00 H new ATOM 0 HD2 ARG A 44 34.083 -0.673 -6.199 1.00 0.00 H new ATOM 0 HD3 ARG A 44 32.628 -1.573 -6.580 1.00 0.00 H new ATOM 0 HE ARG A 44 34.279 -1.185 -8.947 1.00 0.00 H new ATOM 0 HH11 ARG A 44 33.880 -3.078 -5.973 1.00 0.00 H new ATOM 0 HH12 ARG A 44 34.726 -4.492 -6.610 1.00 0.00 H new ATOM 0 HH21 ARG A 44 35.379 -3.024 -9.775 1.00 0.00 H new ATOM 0 HH22 ARG A 44 35.577 -4.461 -8.767 1.00 0.00 H new ATOM 663 N ARG A 45 34.834 3.480 -10.277 1.00 0.00 N ATOM 664 CA ARG A 45 35.468 3.821 -11.533 1.00 0.00 C ATOM 665 C ARG A 45 36.981 3.806 -11.368 1.00 0.00 C ATOM 666 O ARG A 45 37.548 4.691 -10.731 1.00 0.00 O ATOM 667 CB ARG A 45 34.988 5.196 -11.989 1.00 0.00 C ATOM 668 CG ARG A 45 35.420 6.248 -10.970 1.00 0.00 C ATOM 669 CD ARG A 45 36.590 7.051 -11.533 1.00 0.00 C ATOM 670 NE ARG A 45 36.318 8.488 -11.471 1.00 0.00 N ATOM 671 CZ ARG A 45 37.213 9.411 -11.846 1.00 0.00 C ATOM 672 NH1 ARG A 45 38.415 9.034 -12.301 1.00 0.00 N ATOM 673 NH2 ARG A 45 36.905 10.713 -11.766 1.00 0.00 N ATOM 0 H ARG A 45 35.296 3.868 -9.455 1.00 0.00 H new ATOM 0 HA ARG A 45 35.197 3.087 -12.292 1.00 0.00 H new ATOM 0 HB2 ARG A 45 35.403 5.431 -12.969 1.00 0.00 H new ATOM 0 HB3 ARG A 45 33.903 5.199 -12.093 1.00 0.00 H new ATOM 0 HG2 ARG A 45 34.586 6.912 -10.741 1.00 0.00 H new ATOM 0 HG3 ARG A 45 35.711 5.767 -10.036 1.00 0.00 H new ATOM 0 HD2 ARG A 45 37.496 6.824 -10.970 1.00 0.00 H new ATOM 0 HD3 ARG A 45 36.774 6.756 -12.566 1.00 0.00 H new ATOM 0 HE ARG A 45 35.409 8.799 -11.128 1.00 0.00 H new ATOM 0 HH11 ARG A 45 38.649 8.043 -12.362 1.00 0.00 H new ATOM 0 HH12 ARG A 45 39.096 9.738 -12.586 1.00 0.00 H new ATOM 0 HH21 ARG A 45 35.990 11.000 -11.420 1.00 0.00 H new ATOM 0 HH22 ARG A 45 37.586 11.417 -12.051 1.00 0.00 H new ATOM 687 N ASN A 46 37.637 2.795 -11.945 1.00 0.00 N ATOM 688 CA ASN A 46 39.077 2.673 -11.859 1.00 0.00 C ATOM 689 C ASN A 46 39.702 2.920 -13.225 1.00 0.00 C ATOM 690 O ASN A 46 39.276 2.339 -14.221 1.00 0.00 O ATOM 691 CB ASN A 46 39.437 1.282 -11.345 1.00 0.00 C ATOM 692 CG ASN A 46 38.763 0.201 -12.179 1.00 0.00 C ATOM 693 OD1 ASN A 46 37.811 -0.429 -11.727 1.00 0.00 O ATOM 694 ND2 ASN A 46 39.258 -0.007 -13.401 1.00 0.00 N ATOM 0 H ASN A 46 37.183 2.052 -12.476 1.00 0.00 H new ATOM 0 HA ASN A 46 39.467 3.418 -11.165 1.00 0.00 H new ATOM 0 HB2 ASN A 46 40.518 1.148 -11.375 1.00 0.00 H new ATOM 0 HB3 ASN A 46 39.132 1.185 -10.303 1.00 0.00 H new ATOM 0 HD21 ASN A 46 38.843 -0.716 -14.005 1.00 0.00 H new ATOM 0 HD22 ASN A 46 40.051 0.543 -13.730 1.00 0.00 H new ATOM 701 N ASP A 47 40.716 3.787 -13.268 1.00 0.00 N ATOM 702 CA ASP A 47 41.394 4.108 -14.508 1.00 0.00 C ATOM 703 C ASP A 47 40.374 4.274 -15.625 1.00 0.00 C ATOM 704 O ASP A 47 39.752 5.327 -15.750 1.00 0.00 O ATOM 705 CB ASP A 47 42.390 3.001 -14.844 1.00 0.00 C ATOM 706 CG ASP A 47 43.822 3.501 -14.716 1.00 0.00 C ATOM 707 OD1 ASP A 47 44.331 4.029 -15.729 1.00 0.00 O ATOM 708 OD2 ASP A 47 44.380 3.345 -13.608 1.00 0.00 O ATOM 0 H ASP A 47 41.080 4.276 -12.451 1.00 0.00 H new ATOM 0 HA ASP A 47 41.938 5.046 -14.398 1.00 0.00 H new ATOM 0 HB2 ASP A 47 42.236 2.153 -14.177 1.00 0.00 H new ATOM 0 HB3 ASP A 47 42.215 2.644 -15.859 1.00 0.00 H new ATOM 713 N GLU A 48 40.201 3.230 -16.439 1.00 0.00 N ATOM 714 CA GLU A 48 39.258 3.268 -17.538 1.00 0.00 C ATOM 715 C GLU A 48 38.262 2.123 -17.407 1.00 0.00 C ATOM 716 O GLU A 48 37.571 1.785 -18.366 1.00 0.00 O ATOM 717 CB GLU A 48 40.015 3.177 -18.860 1.00 0.00 C ATOM 718 CG GLU A 48 40.662 1.801 -18.983 1.00 0.00 C ATOM 719 CD GLU A 48 40.274 1.133 -20.295 1.00 0.00 C ATOM 720 OE1 GLU A 48 39.062 1.137 -20.596 1.00 0.00 O ATOM 721 OE2 GLU A 48 41.198 0.632 -20.971 1.00 0.00 O ATOM 0 H GLU A 48 40.708 2.349 -16.350 1.00 0.00 H new ATOM 0 HA GLU A 48 38.705 4.207 -17.514 1.00 0.00 H new ATOM 0 HB2 GLU A 48 39.333 3.346 -19.694 1.00 0.00 H new ATOM 0 HB3 GLU A 48 40.777 3.955 -18.909 1.00 0.00 H new ATOM 0 HG2 GLU A 48 41.746 1.898 -18.927 1.00 0.00 H new ATOM 0 HG3 GLU A 48 40.354 1.174 -18.146 1.00 0.00 H new ATOM 728 N ASN A 49 38.192 1.527 -16.215 1.00 0.00 N ATOM 729 CA ASN A 49 37.283 0.427 -15.965 1.00 0.00 C ATOM 730 C ASN A 49 36.311 0.799 -14.852 1.00 0.00 C ATOM 731 O ASN A 49 36.643 0.693 -13.674 1.00 0.00 O ATOM 732 CB ASN A 49 38.083 -0.817 -15.590 1.00 0.00 C ATOM 733 CG ASN A 49 37.896 -1.915 -16.627 1.00 0.00 C ATOM 734 OD1 ASN A 49 37.123 -2.847 -16.414 1.00 0.00 O ATOM 735 ND2 ASN A 49 38.605 -1.804 -17.753 1.00 0.00 N ATOM 0 H ASN A 49 38.759 1.795 -15.411 1.00 0.00 H new ATOM 0 HA ASN A 49 36.707 0.216 -16.866 1.00 0.00 H new ATOM 0 HB2 ASN A 49 39.140 -0.564 -15.509 1.00 0.00 H new ATOM 0 HB3 ASN A 49 37.766 -1.177 -14.611 1.00 0.00 H new ATOM 0 HD21 ASN A 49 38.518 -2.512 -18.482 1.00 0.00 H new ATOM 0 HD22 ASN A 49 39.234 -1.012 -17.884 1.00 0.00 H new ATOM 742 N VAL A 50 35.108 1.236 -15.232 1.00 0.00 N ATOM 743 CA VAL A 50 34.096 1.620 -14.269 1.00 0.00 C ATOM 744 C VAL A 50 33.109 0.477 -14.077 1.00 0.00 C ATOM 745 O VAL A 50 32.560 -0.043 -15.046 1.00 0.00 O ATOM 746 CB VAL A 50 33.381 2.876 -14.759 1.00 0.00 C ATOM 747 CG1 VAL A 50 32.240 3.216 -13.805 1.00 0.00 C ATOM 748 CG2 VAL A 50 34.369 4.038 -14.805 1.00 0.00 C ATOM 0 H VAL A 50 34.819 1.330 -16.206 1.00 0.00 H new ATOM 0 HA VAL A 50 34.564 1.836 -13.308 1.00 0.00 H new ATOM 0 HB VAL A 50 32.980 2.700 -15.757 1.00 0.00 H new ATOM 0 HG11 VAL A 50 31.729 4.113 -14.154 1.00 0.00 H new ATOM 0 HG12 VAL A 50 31.534 2.386 -13.771 1.00 0.00 H new ATOM 0 HG13 VAL A 50 32.641 3.392 -12.807 1.00 0.00 H new ATOM 0 HG21 VAL A 50 33.859 4.936 -15.155 1.00 0.00 H new ATOM 0 HG22 VAL A 50 34.770 4.214 -13.807 1.00 0.00 H new ATOM 0 HG23 VAL A 50 35.185 3.795 -15.486 1.00 0.00 H new ATOM 758 N THR A 51 32.882 0.088 -12.820 1.00 0.00 N ATOM 759 CA THR A 51 31.963 -0.989 -12.511 1.00 0.00 C ATOM 760 C THR A 51 30.906 -0.502 -11.530 1.00 0.00 C ATOM 761 O THR A 51 31.207 0.260 -10.614 1.00 0.00 O ATOM 762 CB THR A 51 32.738 -2.168 -11.930 1.00 0.00 C ATOM 763 OG1 THR A 51 32.779 -2.057 -10.525 1.00 0.00 O ATOM 764 CG2 THR A 51 34.161 -2.163 -12.482 1.00 0.00 C ATOM 0 H THR A 51 33.327 0.509 -12.005 1.00 0.00 H new ATOM 0 HA THR A 51 31.461 -1.315 -13.422 1.00 0.00 H new ATOM 0 HB THR A 51 32.244 -3.099 -12.207 1.00 0.00 H new ATOM 0 HG1 THR A 51 32.920 -1.120 -10.275 1.00 0.00 H new ATOM 0 HG21 THR A 51 34.715 -3.005 -12.067 1.00 0.00 H new ATOM 0 HG22 THR A 51 34.130 -2.249 -13.568 1.00 0.00 H new ATOM 0 HG23 THR A 51 34.655 -1.232 -12.205 1.00 0.00 H new ATOM 772 N LEU A 52 29.662 -0.947 -11.724 1.00 0.00 N ATOM 773 CA LEU A 52 28.566 -0.558 -10.859 1.00 0.00 C ATOM 774 C LEU A 52 27.924 -1.797 -10.251 1.00 0.00 C ATOM 775 O LEU A 52 27.652 -2.767 -10.955 1.00 0.00 O ATOM 776 CB LEU A 52 27.545 0.243 -11.662 1.00 0.00 C ATOM 777 CG LEU A 52 26.728 1.118 -10.716 1.00 0.00 C ATOM 778 CD1 LEU A 52 26.151 2.301 -11.487 1.00 0.00 C ATOM 779 CD2 LEU A 52 25.590 0.294 -10.118 1.00 0.00 C ATOM 0 H LEU A 52 29.397 -1.580 -12.479 1.00 0.00 H new ATOM 0 HA LEU A 52 28.941 0.067 -10.048 1.00 0.00 H new ATOM 0 HB2 LEU A 52 28.053 0.863 -12.401 1.00 0.00 H new ATOM 0 HB3 LEU A 52 26.887 -0.432 -12.210 1.00 0.00 H new ATOM 0 HG LEU A 52 27.370 1.486 -9.915 1.00 0.00 H new ATOM 0 HD11 LEU A 52 25.567 2.926 -10.811 1.00 0.00 H new ATOM 0 HD12 LEU A 52 26.964 2.889 -11.914 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.509 1.935 -12.288 1.00 0.00 H new ATOM 0 HD21 LEU A 52 25.005 0.918 -9.442 1.00 0.00 H new ATOM 0 HD22 LEU A 52 24.948 -0.074 -10.918 1.00 0.00 H new ATOM 0 HD23 LEU A 52 26.003 -0.551 -9.566 1.00 0.00 H new ATOM 791 N GLU A 53 27.680 -1.761 -8.939 1.00 0.00 N ATOM 792 CA GLU A 53 27.071 -2.878 -8.246 1.00 0.00 C ATOM 793 C GLU A 53 25.793 -2.425 -7.554 1.00 0.00 C ATOM 794 O GLU A 53 25.740 -1.332 -6.992 1.00 0.00 O ATOM 795 CB GLU A 53 28.061 -3.449 -7.235 1.00 0.00 C ATOM 796 CG GLU A 53 27.745 -4.922 -6.991 1.00 0.00 C ATOM 797 CD GLU A 53 28.464 -5.434 -5.751 1.00 0.00 C ATOM 798 OE1 GLU A 53 28.025 -5.055 -4.644 1.00 0.00 O ATOM 799 OE2 GLU A 53 29.439 -6.194 -5.934 1.00 0.00 O ATOM 0 H GLU A 53 27.899 -0.964 -8.341 1.00 0.00 H new ATOM 0 HA GLU A 53 26.813 -3.657 -8.963 1.00 0.00 H new ATOM 0 HB2 GLU A 53 29.080 -3.341 -7.607 1.00 0.00 H new ATOM 0 HB3 GLU A 53 28.003 -2.893 -6.299 1.00 0.00 H new ATOM 0 HG2 GLU A 53 26.669 -5.052 -6.872 1.00 0.00 H new ATOM 0 HG3 GLU A 53 28.044 -5.511 -7.858 1.00 0.00 H new ATOM 806 N THR A 54 24.761 -3.270 -7.593 1.00 0.00 N ATOM 807 CA THR A 54 23.493 -2.953 -6.969 1.00 0.00 C ATOM 808 C THR A 54 22.970 -4.164 -6.210 1.00 0.00 C ATOM 809 O THR A 54 22.893 -5.261 -6.760 1.00 0.00 O ATOM 810 CB THR A 54 22.496 -2.513 -8.037 1.00 0.00 C ATOM 811 OG1 THR A 54 22.660 -3.311 -9.189 1.00 0.00 O ATOM 812 CG2 THR A 54 22.744 -1.050 -8.393 1.00 0.00 C ATOM 0 H THR A 54 24.788 -4.180 -8.054 1.00 0.00 H new ATOM 0 HA THR A 54 23.630 -2.137 -6.259 1.00 0.00 H new ATOM 0 HB THR A 54 21.481 -2.627 -7.656 1.00 0.00 H new ATOM 0 HG1 THR A 54 23.294 -2.879 -9.799 1.00 0.00 H new ATOM 0 HG21 THR A 54 22.032 -0.735 -9.156 1.00 0.00 H new ATOM 0 HG22 THR A 54 22.619 -0.433 -7.503 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.759 -0.935 -8.774 1.00 0.00 H new ATOM 820 N ILE A 55 22.609 -3.962 -4.941 1.00 0.00 N ATOM 821 CA ILE A 55 22.095 -5.034 -4.111 1.00 0.00 C ATOM 822 C ILE A 55 21.514 -4.457 -2.828 1.00 0.00 C ATOM 823 O ILE A 55 21.594 -3.253 -2.594 1.00 0.00 O ATOM 824 CB ILE A 55 23.216 -6.021 -3.803 1.00 0.00 C ATOM 825 CG1 ILE A 55 24.553 -5.286 -3.784 1.00 0.00 C ATOM 826 CG2 ILE A 55 23.247 -7.107 -4.875 1.00 0.00 C ATOM 827 CD1 ILE A 55 24.450 -4.066 -2.874 1.00 0.00 C ATOM 0 H ILE A 55 22.667 -3.058 -4.471 1.00 0.00 H new ATOM 0 HA ILE A 55 21.302 -5.562 -4.640 1.00 0.00 H new ATOM 0 HB ILE A 55 23.040 -6.477 -2.829 1.00 0.00 H new ATOM 0 HG12 ILE A 55 25.341 -5.951 -3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.825 -4.978 -4.794 1.00 0.00 H new ATOM 0 HG21 ILE A 55 24.048 -7.813 -4.655 1.00 0.00 H new ATOM 0 HG22 ILE A 55 22.293 -7.634 -4.887 1.00 0.00 H new ATOM 0 HG23 ILE A 55 23.422 -6.651 -5.850 1.00 0.00 H new ATOM 0 HD11 ILE A 55 25.405 -3.541 -2.860 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.674 -3.398 -3.247 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.197 -4.386 -1.863 1.00 0.00 H new ATOM 839 N CYS A 56 20.930 -5.319 -1.993 1.00 0.00 N ATOM 840 CA CYS A 56 20.340 -4.893 -0.741 1.00 0.00 C ATOM 841 C CYS A 56 21.426 -4.748 0.316 1.00 0.00 C ATOM 842 O CYS A 56 21.703 -5.685 1.060 1.00 0.00 O ATOM 843 CB CYS A 56 19.290 -5.910 -0.300 1.00 0.00 C ATOM 844 SG CYS A 56 17.609 -5.244 -0.222 1.00 0.00 S ATOM 0 H CYS A 56 20.858 -6.321 -2.171 1.00 0.00 H new ATOM 0 HA CYS A 56 19.856 -3.926 -0.874 1.00 0.00 H new ATOM 0 HB2 CYS A 56 19.304 -6.754 -0.990 1.00 0.00 H new ATOM 0 HB3 CYS A 56 19.563 -6.296 0.682 1.00 0.00 H new ATOM 849 N HIS A 57 22.043 -3.565 0.381 1.00 0.00 N ATOM 850 CA HIS A 57 23.095 -3.305 1.343 1.00 0.00 C ATOM 851 C HIS A 57 22.578 -2.391 2.445 1.00 0.00 C ATOM 852 O HIS A 57 21.853 -1.436 2.174 1.00 0.00 O ATOM 853 CB HIS A 57 24.289 -2.676 0.633 1.00 0.00 C ATOM 854 CG HIS A 57 25.145 -1.852 1.556 1.00 0.00 C ATOM 855 ND1 HIS A 57 26.290 -2.272 2.192 1.00 0.00 N ATOM 856 CD2 HIS A 57 24.924 -0.549 1.914 1.00 0.00 C ATOM 857 CE1 HIS A 57 26.748 -1.238 2.919 1.00 0.00 C ATOM 858 NE2 HIS A 57 25.949 -0.165 2.783 1.00 0.00 N ATOM 0 H HIS A 57 21.825 -2.776 -0.227 1.00 0.00 H new ATOM 0 HA HIS A 57 23.413 -4.243 1.799 1.00 0.00 H new ATOM 0 HB2 HIS A 57 24.897 -3.463 0.186 1.00 0.00 H new ATOM 0 HB3 HIS A 57 23.932 -2.047 -0.183 1.00 0.00 H new ATOM 0 HD2 HIS A 57 24.104 0.071 1.584 1.00 0.00 H new ATOM 0 HE1 HIS A 57 27.638 -1.265 3.530 1.00 0.00 H new ATOM 0 HE2 HIS A 57 26.067 0.746 3.225 1.00 0.00 H new ATOM 866 N ASP A 58 22.955 -2.685 3.691 1.00 0.00 N ATOM 867 CA ASP A 58 22.529 -1.891 4.826 1.00 0.00 C ATOM 868 C ASP A 58 23.312 -0.586 4.864 1.00 0.00 C ATOM 869 O ASP A 58 24.534 -0.590 4.738 1.00 0.00 O ATOM 870 CB ASP A 58 22.742 -2.686 6.111 1.00 0.00 C ATOM 871 CG ASP A 58 21.438 -3.317 6.581 1.00 0.00 C ATOM 872 OD1 ASP A 58 20.423 -2.586 6.587 1.00 0.00 O ATOM 873 OD2 ASP A 58 21.481 -4.518 6.925 1.00 0.00 O ATOM 0 H ASP A 58 23.557 -3.472 3.932 1.00 0.00 H new ATOM 0 HA ASP A 58 21.469 -1.654 4.732 1.00 0.00 H new ATOM 0 HB2 ASP A 58 23.487 -3.463 5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 58 23.135 -2.030 6.888 1.00 0.00 H new ATOM 878 N PRO A 59 22.603 0.532 5.038 1.00 0.00 N ATOM 879 CA PRO A 59 23.177 1.860 5.102 1.00 0.00 C ATOM 880 C PRO A 59 23.913 2.035 6.423 1.00 0.00 C ATOM 881 O PRO A 59 24.538 3.068 6.654 1.00 0.00 O ATOM 882 CB PRO A 59 21.982 2.807 5.011 1.00 0.00 C ATOM 883 CG PRO A 59 20.857 1.996 5.653 1.00 0.00 C ATOM 884 CD PRO A 59 21.165 0.573 5.191 1.00 0.00 C ATOM 0 HA PRO A 59 23.899 2.049 4.308 1.00 0.00 H new ATOM 0 HB2 PRO A 59 22.164 3.740 5.545 1.00 0.00 H new ATOM 0 HB3 PRO A 59 21.752 3.070 3.979 1.00 0.00 H new ATOM 0 HG2 PRO A 59 20.866 2.080 6.740 1.00 0.00 H new ATOM 0 HG3 PRO A 59 19.875 2.328 5.316 1.00 0.00 H new ATOM 0 HD2 PRO A 59 20.825 -0.161 5.921 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.661 0.345 4.251 1.00 0.00 H new ATOM 892 N GLN A 60 23.837 1.023 7.289 1.00 0.00 N ATOM 893 CA GLN A 60 24.493 1.071 8.580 1.00 0.00 C ATOM 894 C GLN A 60 25.792 0.281 8.530 1.00 0.00 C ATOM 895 O GLN A 60 26.617 0.378 9.437 1.00 0.00 O ATOM 896 CB GLN A 60 23.557 0.507 9.645 1.00 0.00 C ATOM 897 CG GLN A 60 23.573 -1.017 9.581 1.00 0.00 C ATOM 898 CD GLN A 60 22.184 -1.585 9.833 1.00 0.00 C ATOM 899 OE1 GLN A 60 22.018 -2.487 10.652 1.00 0.00 O ATOM 900 NE2 GLN A 60 21.183 -1.055 9.126 1.00 0.00 N ATOM 0 H GLN A 60 23.323 0.160 7.111 1.00 0.00 H new ATOM 0 HA GLN A 60 24.731 2.104 8.833 1.00 0.00 H new ATOM 0 HB2 GLN A 60 23.869 0.843 10.634 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.544 0.878 9.487 1.00 0.00 H new ATOM 0 HG2 GLN A 60 23.931 -1.340 8.603 1.00 0.00 H new ATOM 0 HG3 GLN A 60 24.270 -1.409 10.321 1.00 0.00 H new ATOM 0 HE21 GLN A 60 21.370 -0.308 8.458 1.00 0.00 H new ATOM 0 HE22 GLN A 60 20.231 -1.397 9.254 1.00 0.00 H new ATOM 909 N LYS A 61 25.975 -0.502 7.464 1.00 0.00 N ATOM 910 CA LYS A 61 27.172 -1.303 7.303 1.00 0.00 C ATOM 911 C LYS A 61 28.190 -0.548 6.459 1.00 0.00 C ATOM 912 O LYS A 61 27.821 0.266 5.616 1.00 0.00 O ATOM 913 CB LYS A 61 26.808 -2.632 6.647 1.00 0.00 C ATOM 914 CG LYS A 61 26.854 -3.743 7.692 1.00 0.00 C ATOM 915 CD LYS A 61 25.522 -4.487 7.705 1.00 0.00 C ATOM 916 CE LYS A 61 25.361 -5.222 9.033 1.00 0.00 C ATOM 917 NZ LYS A 61 25.026 -6.638 8.815 1.00 0.00 N ATOM 0 H LYS A 61 25.303 -0.592 6.702 1.00 0.00 H new ATOM 0 HA LYS A 61 27.615 -1.502 8.279 1.00 0.00 H new ATOM 0 HB2 LYS A 61 25.812 -2.572 6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 61 27.502 -2.852 5.836 1.00 0.00 H new ATOM 0 HG2 LYS A 61 27.666 -4.434 7.467 1.00 0.00 H new ATOM 0 HG3 LYS A 61 27.057 -3.322 8.677 1.00 0.00 H new ATOM 0 HD2 LYS A 61 24.700 -3.785 7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 61 25.481 -5.196 6.878 1.00 0.00 H new ATOM 0 HE2 LYS A 61 26.284 -5.147 9.608 1.00 0.00 H new ATOM 0 HE3 LYS A 61 24.578 -4.746 9.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 24.922 -7.115 9.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 24.133 -6.706 8.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 25.786 -7.095 8.271 1.00 0.00 H new ATOM 931 N ARG A 62 29.477 -0.820 6.691 1.00 0.00 N ATOM 932 CA ARG A 62 30.541 -0.168 5.956 1.00 0.00 C ATOM 933 C ARG A 62 30.881 -0.977 4.713 1.00 0.00 C ATOM 934 O ARG A 62 31.427 -2.073 4.814 1.00 0.00 O ATOM 935 CB ARG A 62 31.764 -0.021 6.856 1.00 0.00 C ATOM 936 CG ARG A 62 31.783 1.379 7.464 1.00 0.00 C ATOM 937 CD ARG A 62 30.563 1.559 8.365 1.00 0.00 C ATOM 938 NE ARG A 62 30.761 2.666 9.301 1.00 0.00 N ATOM 939 CZ ARG A 62 31.353 2.510 10.493 1.00 0.00 C ATOM 940 NH1 ARG A 62 31.794 1.303 10.871 1.00 0.00 N ATOM 941 NH2 ARG A 62 31.504 3.564 11.308 1.00 0.00 N ATOM 0 H ARG A 62 29.799 -1.492 7.388 1.00 0.00 H new ATOM 0 HA ARG A 62 30.216 0.824 5.642 1.00 0.00 H new ATOM 0 HB2 ARG A 62 31.740 -0.772 7.646 1.00 0.00 H new ATOM 0 HB3 ARG A 62 32.674 -0.192 6.281 1.00 0.00 H new ATOM 0 HG2 ARG A 62 32.698 1.525 8.039 1.00 0.00 H new ATOM 0 HG3 ARG A 62 31.779 2.130 6.674 1.00 0.00 H new ATOM 0 HD2 ARG A 62 29.680 1.748 7.754 1.00 0.00 H new ATOM 0 HD3 ARG A 62 30.376 0.639 8.919 1.00 0.00 H new ATOM 0 HE ARG A 62 30.435 3.595 9.035 1.00 0.00 H new ATOM 0 HH11 ARG A 62 31.679 0.501 10.251 1.00 0.00 H new ATOM 0 HH12 ARG A 62 32.244 1.186 11.779 1.00 0.00 H new ATOM 0 HH21 ARG A 62 31.168 4.483 11.020 1.00 0.00 H new ATOM 0 HH22 ARG A 62 31.954 3.446 12.216 1.00 0.00 H new ATOM 955 N LEU A 63 30.556 -0.433 3.537 1.00 0.00 N ATOM 956 CA LEU A 63 30.829 -1.106 2.282 1.00 0.00 C ATOM 957 C LEU A 63 32.072 -0.511 1.637 1.00 0.00 C ATOM 958 O LEU A 63 32.240 0.706 1.612 1.00 0.00 O ATOM 959 CB LEU A 63 29.621 -0.966 1.359 1.00 0.00 C ATOM 960 CG LEU A 63 29.952 -1.568 -0.004 1.00 0.00 C ATOM 961 CD1 LEU A 63 29.685 -3.070 0.024 1.00 0.00 C ATOM 962 CD2 LEU A 63 29.080 -0.916 -1.072 1.00 0.00 C ATOM 0 H LEU A 63 30.102 0.475 3.437 1.00 0.00 H new ATOM 0 HA LEU A 63 31.011 -2.165 2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 63 28.758 -1.472 1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 63 29.353 0.085 1.249 1.00 0.00 H new ATOM 0 HG LEU A 63 31.003 -1.391 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 63 29.921 -3.500 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 63 30.308 -3.536 0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 63 28.635 -3.249 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 63 29.316 -1.345 -2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 63 28.029 -1.093 -0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 63 29.271 0.157 -1.093 1.00 0.00 H new ATOM 974 N TYR A 64 32.945 -1.374 1.113 1.00 0.00 N ATOM 975 CA TYR A 64 34.166 -0.931 0.473 1.00 0.00 C ATOM 976 C TYR A 64 34.920 0.014 1.398 1.00 0.00 C ATOM 977 O TYR A 64 35.736 0.814 0.944 1.00 0.00 O ATOM 978 CB TYR A 64 33.827 -0.240 -0.845 1.00 0.00 C ATOM 979 CG TYR A 64 33.213 -1.165 -1.869 1.00 0.00 C ATOM 980 CD1 TYR A 64 33.869 -2.350 -2.224 1.00 0.00 C ATOM 981 CD2 TYR A 64 31.988 -0.837 -2.463 1.00 0.00 C ATOM 982 CE1 TYR A 64 33.300 -3.206 -3.174 1.00 0.00 C ATOM 983 CE2 TYR A 64 31.420 -1.695 -3.413 1.00 0.00 C ATOM 984 CZ TYR A 64 32.075 -2.879 -3.768 1.00 0.00 C ATOM 985 OH TYR A 64 31.522 -3.713 -4.694 1.00 0.00 O ATOM 0 H TYR A 64 32.820 -2.386 1.124 1.00 0.00 H new ATOM 0 HA TYR A 64 34.804 -1.790 0.265 1.00 0.00 H new ATOM 0 HB2 TYR A 64 33.137 0.581 -0.649 1.00 0.00 H new ATOM 0 HB3 TYR A 64 34.734 0.198 -1.260 1.00 0.00 H new ATOM 0 HD1 TYR A 64 34.813 -2.603 -1.765 1.00 0.00 H new ATOM 0 HD2 TYR A 64 31.482 0.077 -2.189 1.00 0.00 H new ATOM 0 HE1 TYR A 64 33.806 -4.119 -3.449 1.00 0.00 H new ATOM 0 HE2 TYR A 64 30.476 -1.442 -3.872 1.00 0.00 H new ATOM 0 HH TYR A 64 30.672 -3.338 -5.006 1.00 0.00 H new ATOM 995 N GLY A 65 34.646 -0.080 2.702 1.00 0.00 N ATOM 996 CA GLY A 65 35.300 0.766 3.679 1.00 0.00 C ATOM 997 C GLY A 65 34.631 2.133 3.726 1.00 0.00 C ATOM 998 O GLY A 65 35.137 3.057 4.360 1.00 0.00 O ATOM 0 H GLY A 65 33.973 -0.737 3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 65 35.256 0.298 4.663 1.00 0.00 H new ATOM 0 HA3 GLY A 65 36.354 0.878 3.426 1.00 0.00 H new ATOM 1002 N HIS A 66 33.488 2.261 3.047 1.00 0.00 N ATOM 1003 CA HIS A 66 32.759 3.513 3.013 1.00 0.00 C ATOM 1004 C HIS A 66 31.361 3.316 3.581 1.00 0.00 C ATOM 1005 O HIS A 66 30.713 2.307 3.311 1.00 0.00 O ATOM 1006 CB HIS A 66 32.692 4.022 1.576 1.00 0.00 C ATOM 1007 CG HIS A 66 33.865 3.576 0.747 1.00 0.00 C ATOM 1008 ND1 HIS A 66 35.189 3.863 0.994 1.00 0.00 N ATOM 1009 CD2 HIS A 66 33.808 2.812 -0.387 1.00 0.00 C ATOM 1010 CE1 HIS A 66 35.912 3.280 0.021 1.00 0.00 C ATOM 1011 NE2 HIS A 66 35.118 2.627 -0.844 1.00 0.00 N ATOM 0 H HIS A 66 33.054 1.506 2.515 1.00 0.00 H new ATOM 0 HA HIS A 66 33.275 4.253 3.625 1.00 0.00 H new ATOM 0 HB2 HIS A 66 31.770 3.670 1.113 1.00 0.00 H new ATOM 0 HB3 HIS A 66 32.650 5.111 1.582 1.00 0.00 H new ATOM 0 HD2 HIS A 66 32.912 2.422 -0.847 1.00 0.00 H new ATOM 0 HE1 HIS A 66 36.988 3.330 -0.055 1.00 0.00 H new ATOM 0 HE2 HIS A 66 35.411 2.102 -1.668 1.00 0.00 H new ATOM 1019 N MET A 67 30.894 4.286 4.370 1.00 0.00 N ATOM 1020 CA MET A 67 29.578 4.213 4.972 1.00 0.00 C ATOM 1021 C MET A 67 28.745 5.413 4.543 1.00 0.00 C ATOM 1022 O MET A 67 29.182 6.555 4.673 1.00 0.00 O ATOM 1023 CB MET A 67 29.716 4.168 6.491 1.00 0.00 C ATOM 1024 CG MET A 67 28.330 4.174 7.129 1.00 0.00 C ATOM 1025 SD MET A 67 28.063 5.532 8.295 1.00 0.00 S ATOM 1026 CE MET A 67 27.514 4.578 9.731 1.00 0.00 C ATOM 0 H MET A 67 31.416 5.131 4.602 1.00 0.00 H new ATOM 0 HA MET A 67 29.072 3.307 4.638 1.00 0.00 H new ATOM 0 HB2 MET A 67 30.262 3.273 6.791 1.00 0.00 H new ATOM 0 HB3 MET A 67 30.292 5.025 6.840 1.00 0.00 H new ATOM 0 HG2 MET A 67 27.579 4.232 6.341 1.00 0.00 H new ATOM 0 HG3 MET A 67 28.176 3.228 7.648 1.00 0.00 H new ATOM 0 HE1 MET A 67 27.301 5.255 10.558 1.00 0.00 H new ATOM 0 HE2 MET A 67 26.612 4.022 9.475 1.00 0.00 H new ATOM 0 HE3 MET A 67 28.298 3.881 10.026 1.00 0.00 H new ATOM 1036 N LEU A 68 27.540 5.151 4.031 1.00 0.00 N ATOM 1037 CA LEU A 68 26.651 6.206 3.586 1.00 0.00 C ATOM 1038 C LEU A 68 25.423 6.260 4.485 1.00 0.00 C ATOM 1039 O LEU A 68 25.048 5.256 5.087 1.00 0.00 O ATOM 1040 CB LEU A 68 26.249 5.954 2.136 1.00 0.00 C ATOM 1041 CG LEU A 68 26.086 4.454 1.907 1.00 0.00 C ATOM 1042 CD1 LEU A 68 24.952 3.926 2.781 1.00 0.00 C ATOM 1043 CD2 LEU A 68 25.759 4.197 0.438 1.00 0.00 C ATOM 0 H LEU A 68 27.164 4.210 3.918 1.00 0.00 H new ATOM 0 HA LEU A 68 27.163 7.167 3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 68 25.316 6.471 1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 68 27.006 6.355 1.462 1.00 0.00 H new ATOM 0 HG LEU A 68 27.013 3.943 2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 68 24.835 2.855 2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 68 25.185 4.110 3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.024 4.436 2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 68 25.642 3.126 0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 68 24.832 4.707 0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.569 4.574 -0.186 1.00 0.00 H new ATOM 1055 N ASP A 69 24.798 7.435 4.571 1.00 0.00 N ATOM 1056 CA ASP A 69 23.618 7.614 5.394 1.00 0.00 C ATOM 1057 C ASP A 69 22.478 8.160 4.547 1.00 0.00 C ATOM 1058 O ASP A 69 22.629 8.337 3.339 1.00 0.00 O ATOM 1059 CB ASP A 69 23.941 8.563 6.544 1.00 0.00 C ATOM 1060 CG ASP A 69 24.933 9.630 6.107 1.00 0.00 C ATOM 1061 OD1 ASP A 69 26.114 9.266 5.925 1.00 0.00 O ATOM 1062 OD2 ASP A 69 24.490 10.791 5.963 1.00 0.00 O ATOM 0 H ASP A 69 25.097 8.275 4.076 1.00 0.00 H new ATOM 0 HA ASP A 69 23.309 6.655 5.809 1.00 0.00 H new ATOM 0 HB2 ASP A 69 23.025 9.036 6.898 1.00 0.00 H new ATOM 0 HB3 ASP A 69 24.353 7.999 7.381 1.00 0.00 H new ATOM 1067 N ASP A 70 21.334 8.428 5.182 1.00 0.00 N ATOM 1068 CA ASP A 70 20.177 8.951 4.484 1.00 0.00 C ATOM 1069 C ASP A 70 19.462 7.823 3.754 1.00 0.00 C ATOM 1070 O ASP A 70 19.110 7.963 2.585 1.00 0.00 O ATOM 1071 CB ASP A 70 20.621 10.033 3.504 1.00 0.00 C ATOM 1072 CG ASP A 70 21.814 10.806 4.051 1.00 0.00 C ATOM 1073 OD1 ASP A 70 21.781 11.118 5.260 1.00 0.00 O ATOM 1074 OD2 ASP A 70 22.735 11.069 3.248 1.00 0.00 O ATOM 0 H ASP A 70 21.193 8.288 6.182 1.00 0.00 H new ATOM 0 HA ASP A 70 19.483 9.391 5.201 1.00 0.00 H new ATOM 0 HB2 ASP A 70 20.884 9.578 2.549 1.00 0.00 H new ATOM 0 HB3 ASP A 70 19.795 10.718 3.314 1.00 0.00 H new ATOM 1079 N SER A 71 19.248 6.703 4.448 1.00 0.00 N ATOM 1080 CA SER A 71 18.577 5.560 3.863 1.00 0.00 C ATOM 1081 C SER A 71 17.122 5.905 3.579 1.00 0.00 C ATOM 1082 O SER A 71 16.521 5.362 2.654 1.00 0.00 O ATOM 1083 CB SER A 71 18.675 4.371 4.814 1.00 0.00 C ATOM 1084 OG SER A 71 17.898 4.625 5.964 1.00 0.00 O ATOM 0 H SER A 71 19.534 6.572 5.418 1.00 0.00 H new ATOM 0 HA SER A 71 19.057 5.295 2.921 1.00 0.00 H new ATOM 0 HB2 SER A 71 18.326 3.465 4.318 1.00 0.00 H new ATOM 0 HB3 SER A 71 19.714 4.200 5.094 1.00 0.00 H new ATOM 0 HG SER A 71 17.959 3.861 6.575 1.00 0.00 H new ATOM 1090 N SER A 72 16.556 6.812 4.377 1.00 0.00 N ATOM 1091 CA SER A 72 15.178 7.226 4.208 1.00 0.00 C ATOM 1092 C SER A 72 15.060 8.149 3.003 1.00 0.00 C ATOM 1093 O SER A 72 13.961 8.559 2.636 1.00 0.00 O ATOM 1094 CB SER A 72 14.699 7.928 5.475 1.00 0.00 C ATOM 1095 OG SER A 72 15.328 9.185 5.583 1.00 0.00 O ATOM 0 H SER A 72 17.041 7.271 5.148 1.00 0.00 H new ATOM 0 HA SER A 72 14.551 6.352 4.034 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.616 8.052 5.447 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.928 7.319 6.350 1.00 0.00 H new ATOM 0 HG SER A 72 15.019 9.637 6.396 1.00 0.00 H new ATOM 1101 N SER A 73 16.199 8.474 2.387 1.00 0.00 N ATOM 1102 CA SER A 73 16.218 9.344 1.228 1.00 0.00 C ATOM 1103 C SER A 73 15.769 8.571 -0.004 1.00 0.00 C ATOM 1104 O SER A 73 16.334 7.529 -0.328 1.00 0.00 O ATOM 1105 CB SER A 73 17.626 9.900 1.033 1.00 0.00 C ATOM 1106 OG SER A 73 17.647 10.738 -0.100 1.00 0.00 O ATOM 0 H SER A 73 17.118 8.142 2.679 1.00 0.00 H new ATOM 0 HA SER A 73 15.531 10.176 1.382 1.00 0.00 H new ATOM 0 HB2 SER A 73 17.934 10.458 1.917 1.00 0.00 H new ATOM 0 HB3 SER A 73 18.337 9.083 0.908 1.00 0.00 H new ATOM 0 HG SER A 73 18.155 10.305 -0.818 1.00 0.00 H new ATOM 1112 N GLU A 74 14.748 9.087 -0.693 1.00 0.00 N ATOM 1113 CA GLU A 74 14.231 8.445 -1.885 1.00 0.00 C ATOM 1114 C GLU A 74 15.157 8.713 -3.064 1.00 0.00 C ATOM 1115 O GLU A 74 15.108 8.011 -4.070 1.00 0.00 O ATOM 1116 CB GLU A 74 12.826 8.966 -2.174 1.00 0.00 C ATOM 1117 CG GLU A 74 11.944 7.815 -2.649 1.00 0.00 C ATOM 1118 CD GLU A 74 10.664 7.738 -1.830 1.00 0.00 C ATOM 1119 OE1 GLU A 74 10.785 7.493 -0.610 1.00 0.00 O ATOM 1120 OE2 GLU A 74 9.589 7.925 -2.438 1.00 0.00 O ATOM 0 H GLU A 74 14.268 9.950 -0.438 1.00 0.00 H new ATOM 0 HA GLU A 74 14.182 7.368 -1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.402 9.417 -1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.865 9.746 -2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.699 7.950 -3.702 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.490 6.875 -2.567 1.00 0.00 H new ATOM 1127 N GLN A 75 16.008 9.735 -2.934 1.00 0.00 N ATOM 1128 CA GLN A 75 16.940 10.091 -3.984 1.00 0.00 C ATOM 1129 C GLN A 75 18.325 9.552 -3.651 1.00 0.00 C ATOM 1130 O GLN A 75 18.992 10.062 -2.753 1.00 0.00 O ATOM 1131 CB GLN A 75 16.974 11.609 -4.139 1.00 0.00 C ATOM 1132 CG GLN A 75 15.997 12.031 -5.233 1.00 0.00 C ATOM 1133 CD GLN A 75 16.524 11.646 -6.608 1.00 0.00 C ATOM 1134 OE1 GLN A 75 16.939 12.507 -7.380 1.00 0.00 O ATOM 1135 NE2 GLN A 75 16.505 10.346 -6.913 1.00 0.00 N ATOM 0 H GLN A 75 16.063 10.327 -2.105 1.00 0.00 H new ATOM 0 HA GLN A 75 16.617 9.649 -4.927 1.00 0.00 H new ATOM 0 HB2 GLN A 75 16.709 12.087 -3.196 1.00 0.00 H new ATOM 0 HB3 GLN A 75 17.982 11.937 -4.391 1.00 0.00 H new ATOM 0 HG2 GLN A 75 15.029 11.558 -5.064 1.00 0.00 H new ATOM 0 HG3 GLN A 75 15.838 13.108 -5.188 1.00 0.00 H new ATOM 0 HE21 GLN A 75 16.150 9.669 -6.238 1.00 0.00 H new ATOM 0 HE22 GLN A 75 16.845 10.030 -7.821 1.00 0.00 H new ATOM 1144 N CYS A 76 18.754 8.518 -4.377 1.00 0.00 N ATOM 1145 CA CYS A 76 20.054 7.915 -4.157 1.00 0.00 C ATOM 1146 C CYS A 76 21.147 8.874 -4.608 1.00 0.00 C ATOM 1147 O CYS A 76 21.119 9.366 -5.734 1.00 0.00 O ATOM 1148 CB CYS A 76 20.139 6.598 -4.923 1.00 0.00 C ATOM 1149 SG CYS A 76 21.798 6.208 -5.531 1.00 0.00 S ATOM 0 H CYS A 76 18.211 8.085 -5.124 1.00 0.00 H new ATOM 0 HA CYS A 76 20.191 7.711 -3.095 1.00 0.00 H new ATOM 0 HB2 CYS A 76 19.801 5.790 -4.275 1.00 0.00 H new ATOM 0 HB3 CYS A 76 19.453 6.636 -5.769 1.00 0.00 H new ATOM 1154 N VAL A 77 22.114 9.137 -3.725 1.00 0.00 N ATOM 1155 CA VAL A 77 23.210 10.032 -4.035 1.00 0.00 C ATOM 1156 C VAL A 77 24.530 9.279 -3.949 1.00 0.00 C ATOM 1157 O VAL A 77 24.715 8.445 -3.065 1.00 0.00 O ATOM 1158 CB VAL A 77 23.193 11.210 -3.065 1.00 0.00 C ATOM 1159 CG1 VAL A 77 23.969 10.841 -1.804 1.00 0.00 C ATOM 1160 CG2 VAL A 77 23.843 12.422 -3.726 1.00 0.00 C ATOM 0 H VAL A 77 22.152 8.736 -2.788 1.00 0.00 H new ATOM 0 HA VAL A 77 23.099 10.414 -5.050 1.00 0.00 H new ATOM 0 HB VAL A 77 22.163 11.449 -2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 77 23.957 11.682 -1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 77 23.505 9.975 -1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 77 24.999 10.602 -2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 77 23.831 13.264 -3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 77 24.873 12.184 -3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 77 23.289 12.686 -4.627 1.00 0.00 H new ATOM 1170 N MET A 78 25.449 9.577 -4.870 1.00 0.00 N ATOM 1171 CA MET A 78 26.744 8.926 -4.892 1.00 0.00 C ATOM 1172 C MET A 78 27.704 9.649 -3.957 1.00 0.00 C ATOM 1173 O MET A 78 27.980 10.833 -4.138 1.00 0.00 O ATOM 1174 CB MET A 78 27.284 8.919 -6.318 1.00 0.00 C ATOM 1175 CG MET A 78 26.570 7.840 -7.127 1.00 0.00 C ATOM 1176 SD MET A 78 27.444 6.255 -7.172 1.00 0.00 S ATOM 1177 CE MET A 78 26.671 5.459 -5.741 1.00 0.00 C ATOM 0 H MET A 78 25.312 10.267 -5.608 1.00 0.00 H new ATOM 0 HA MET A 78 26.642 7.896 -4.549 1.00 0.00 H new ATOM 0 HB2 MET A 78 27.133 9.895 -6.780 1.00 0.00 H new ATOM 0 HB3 MET A 78 28.358 8.732 -6.311 1.00 0.00 H new ATOM 0 HG2 MET A 78 25.576 7.684 -6.707 1.00 0.00 H new ATOM 0 HG3 MET A 78 26.433 8.197 -8.148 1.00 0.00 H new ATOM 0 HE1 MET A 78 26.939 4.403 -5.724 1.00 0.00 H new ATOM 0 HE2 MET A 78 27.021 5.937 -4.826 1.00 0.00 H new ATOM 0 HE3 MET A 78 25.588 5.558 -5.811 1.00 0.00 H new ATOM 1187 N LYS A 79 28.212 8.932 -2.952 1.00 0.00 N ATOM 1188 CA LYS A 79 29.136 9.506 -1.995 1.00 0.00 C ATOM 1189 C LYS A 79 30.561 9.091 -2.338 1.00 0.00 C ATOM 1190 O LYS A 79 30.849 7.905 -2.475 1.00 0.00 O ATOM 1191 CB LYS A 79 28.763 9.047 -0.589 1.00 0.00 C ATOM 1192 CG LYS A 79 27.988 10.154 0.119 1.00 0.00 C ATOM 1193 CD LYS A 79 27.610 9.694 1.523 1.00 0.00 C ATOM 1194 CE LYS A 79 27.972 10.781 2.531 1.00 0.00 C ATOM 1195 NZ LYS A 79 29.430 10.943 2.629 1.00 0.00 N ATOM 0 H LYS A 79 27.993 7.950 -2.787 1.00 0.00 H new ATOM 0 HA LYS A 79 29.076 10.594 -2.035 1.00 0.00 H new ATOM 0 HB2 LYS A 79 28.159 8.141 -0.639 1.00 0.00 H new ATOM 0 HB3 LYS A 79 29.662 8.800 -0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 79 28.593 11.059 0.172 1.00 0.00 H new ATOM 0 HG3 LYS A 79 27.091 10.403 -0.447 1.00 0.00 H new ATOM 0 HD2 LYS A 79 26.542 9.480 1.572 1.00 0.00 H new ATOM 0 HD3 LYS A 79 28.132 8.769 1.767 1.00 0.00 H new ATOM 0 HE2 LYS A 79 27.517 11.725 2.232 1.00 0.00 H new ATOM 0 HE3 LYS A 79 27.564 10.526 3.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 29.676 11.306 3.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 29.892 10.023 2.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 29.754 11.615 1.904 1.00 0.00 H new ATOM 1209 N GLU A 80 31.453 10.075 -2.475 1.00 0.00 N ATOM 1210 CA GLU A 80 32.839 9.807 -2.798 1.00 0.00 C ATOM 1211 C GLU A 80 33.578 9.324 -1.559 1.00 0.00 C ATOM 1212 O GLU A 80 33.677 10.046 -0.569 1.00 0.00 O ATOM 1213 CB GLU A 80 33.484 11.073 -3.354 1.00 0.00 C ATOM 1214 CG GLU A 80 33.611 12.109 -2.241 1.00 0.00 C ATOM 1215 CD GLU A 80 33.760 13.510 -2.817 1.00 0.00 C ATOM 1216 OE1 GLU A 80 32.992 13.823 -3.752 1.00 0.00 O ATOM 1217 OE2 GLU A 80 34.639 14.240 -2.312 1.00 0.00 O ATOM 0 H GLU A 80 31.230 11.064 -2.365 1.00 0.00 H new ATOM 0 HA GLU A 80 32.894 9.024 -3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 80 34.467 10.843 -3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 80 32.882 11.472 -4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 80 32.732 12.067 -1.598 1.00 0.00 H new ATOM 0 HG3 GLU A 80 34.473 11.874 -1.617 1.00 0.00 H new ATOM 1224 N LYS A 81 34.099 8.096 -1.615 1.00 0.00 N ATOM 1225 CA LYS A 81 34.826 7.524 -0.500 1.00 0.00 C ATOM 1226 C LYS A 81 36.280 7.300 -0.889 1.00 0.00 C ATOM 1227 O LYS A 81 36.585 7.068 -2.057 1.00 0.00 O ATOM 1228 CB LYS A 81 34.170 6.209 -0.087 1.00 0.00 C ATOM 1229 CG LYS A 81 32.699 6.227 -0.494 1.00 0.00 C ATOM 1230 CD LYS A 81 31.932 7.185 0.412 1.00 0.00 C ATOM 1231 CE LYS A 81 30.737 6.460 1.026 1.00 0.00 C ATOM 1232 NZ LYS A 81 29.517 6.693 0.238 1.00 0.00 N ATOM 0 H LYS A 81 34.026 7.484 -2.428 1.00 0.00 H new ATOM 0 HA LYS A 81 34.799 8.212 0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 81 34.680 5.371 -0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 81 34.259 6.068 0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 81 32.602 6.538 -1.534 1.00 0.00 H new ATOM 0 HG3 LYS A 81 32.278 5.224 -0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 81 32.586 7.560 1.199 1.00 0.00 H new ATOM 0 HD3 LYS A 81 31.592 8.049 -0.159 1.00 0.00 H new ATOM 0 HE2 LYS A 81 30.943 5.391 1.077 1.00 0.00 H new ATOM 0 HE3 LYS A 81 30.585 6.804 2.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 28.812 5.963 0.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 29.130 7.631 0.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 29.745 6.651 -0.776 1.00 0.00 H new ATOM 1246 N LYS A 82 37.180 7.373 0.095 1.00 0.00 N ATOM 1247 CA LYS A 82 38.595 7.179 -0.149 1.00 0.00 C ATOM 1248 C LYS A 82 38.819 5.862 -0.879 1.00 0.00 C ATOM 1249 O LYS A 82 38.769 4.795 -0.271 1.00 0.00 O ATOM 1250 CB LYS A 82 39.346 7.195 1.180 1.00 0.00 C ATOM 1251 CG LYS A 82 38.582 6.362 2.205 1.00 0.00 C ATOM 1252 CD LYS A 82 39.527 5.347 2.842 1.00 0.00 C ATOM 1253 CE LYS A 82 38.725 4.366 3.691 1.00 0.00 C ATOM 1254 NZ LYS A 82 39.056 4.508 5.117 1.00 0.00 N ATOM 0 H LYS A 82 36.944 7.566 1.068 1.00 0.00 H new ATOM 0 HA LYS A 82 38.973 7.987 -0.776 1.00 0.00 H new ATOM 0 HB2 LYS A 82 40.351 6.795 1.047 1.00 0.00 H new ATOM 0 HB3 LYS A 82 39.455 8.219 1.536 1.00 0.00 H new ATOM 0 HG2 LYS A 82 38.157 7.010 2.972 1.00 0.00 H new ATOM 0 HG3 LYS A 82 37.750 5.848 1.724 1.00 0.00 H new ATOM 0 HD2 LYS A 82 40.076 4.810 2.068 1.00 0.00 H new ATOM 0 HD3 LYS A 82 40.265 5.859 3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 82 37.659 4.539 3.543 1.00 0.00 H new ATOM 0 HE3 LYS A 82 38.931 3.346 3.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 38.497 3.829 5.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 40.069 4.320 5.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 38.837 5.475 5.430 1.00 0.00 H new ATOM 1268 N ASP A 83 39.068 5.940 -2.188 1.00 0.00 N ATOM 1269 CA ASP A 83 39.298 4.758 -2.994 1.00 0.00 C ATOM 1270 C ASP A 83 40.641 4.868 -3.700 1.00 0.00 C ATOM 1271 O ASP A 83 40.853 5.780 -4.497 1.00 0.00 O ATOM 1272 CB ASP A 83 38.166 4.605 -4.006 1.00 0.00 C ATOM 1273 CG ASP A 83 36.832 4.399 -3.302 1.00 0.00 C ATOM 1274 OD1 ASP A 83 36.765 3.461 -2.477 1.00 0.00 O ATOM 1275 OD2 ASP A 83 35.905 5.181 -3.602 1.00 0.00 O ATOM 0 H ASP A 83 39.114 6.817 -2.706 1.00 0.00 H new ATOM 0 HA ASP A 83 39.318 3.876 -2.354 1.00 0.00 H new ATOM 0 HB2 ASP A 83 38.115 5.492 -4.638 1.00 0.00 H new ATOM 0 HB3 ASP A 83 38.371 3.758 -4.661 1.00 0.00 H new ATOM 1280 N ASP A 84 41.551 3.938 -3.406 1.00 0.00 N ATOM 1281 CA ASP A 84 42.868 3.937 -4.012 1.00 0.00 C ATOM 1282 C ASP A 84 42.859 3.065 -5.260 1.00 0.00 C ATOM 1283 O ASP A 84 42.437 1.912 -5.213 1.00 0.00 O ATOM 1284 CB ASP A 84 43.892 3.426 -3.002 1.00 0.00 C ATOM 1285 CG ASP A 84 43.802 1.914 -2.855 1.00 0.00 C ATOM 1286 OD1 ASP A 84 42.985 1.473 -2.019 1.00 0.00 O ATOM 1287 OD2 ASP A 84 44.553 1.228 -3.581 1.00 0.00 O ATOM 0 H ASP A 84 41.391 3.175 -2.748 1.00 0.00 H new ATOM 0 HA ASP A 84 43.140 4.952 -4.303 1.00 0.00 H new ATOM 0 HB2 ASP A 84 44.896 3.705 -3.323 1.00 0.00 H new ATOM 0 HB3 ASP A 84 43.723 3.900 -2.035 1.00 0.00 H new ATOM 1292 N GLY A 85 43.328 3.620 -6.380 1.00 0.00 N ATOM 1293 CA GLY A 85 43.370 2.888 -7.631 1.00 0.00 C ATOM 1294 C GLY A 85 42.157 3.233 -8.484 1.00 0.00 C ATOM 1295 O GLY A 85 42.099 2.882 -9.661 1.00 0.00 O ATOM 0 H GLY A 85 43.682 4.575 -6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 85 44.285 3.130 -8.172 1.00 0.00 H new ATOM 0 HA3 GLY A 85 43.391 1.816 -7.433 1.00 0.00 H new ATOM 1299 N GLY A 86 41.183 3.922 -7.885 1.00 0.00 N ATOM 1300 CA GLY A 86 39.977 4.308 -8.592 1.00 0.00 C ATOM 1301 C GLY A 86 38.982 4.940 -7.631 1.00 0.00 C ATOM 1302 O GLY A 86 39.202 4.953 -6.421 1.00 0.00 O ATOM 0 H GLY A 86 41.214 4.221 -6.910 1.00 0.00 H new ATOM 0 HA2 GLY A 86 40.223 5.012 -9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 86 39.530 3.434 -9.067 1.00 0.00 H new ATOM 1306 N LEU A 87 37.880 5.465 -8.172 1.00 0.00 N ATOM 1307 CA LEU A 87 36.856 6.097 -7.365 1.00 0.00 C ATOM 1308 C LEU A 87 35.696 5.133 -7.156 1.00 0.00 C ATOM 1309 O LEU A 87 35.317 4.406 -8.071 1.00 0.00 O ATOM 1310 CB LEU A 87 36.381 7.373 -8.053 1.00 0.00 C ATOM 1311 CG LEU A 87 37.140 8.569 -7.486 1.00 0.00 C ATOM 1312 CD1 LEU A 87 37.014 8.578 -5.965 1.00 0.00 C ATOM 1313 CD2 LEU A 87 38.612 8.467 -7.875 1.00 0.00 C ATOM 0 H LEU A 87 37.682 5.460 -9.173 1.00 0.00 H new ATOM 0 HA LEU A 87 37.267 6.358 -6.390 1.00 0.00 H new ATOM 0 HB2 LEU A 87 36.544 7.302 -9.128 1.00 0.00 H new ATOM 0 HB3 LEU A 87 35.310 7.503 -7.901 1.00 0.00 H new ATOM 0 HG LEU A 87 36.720 9.491 -7.890 1.00 0.00 H new ATOM 0 HD11 LEU A 87 37.556 9.432 -5.560 1.00 0.00 H new ATOM 0 HD12 LEU A 87 35.962 8.651 -5.687 1.00 0.00 H new ATOM 0 HD13 LEU A 87 37.433 7.657 -5.560 1.00 0.00 H new ATOM 0 HD21 LEU A 87 39.155 9.321 -7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 87 39.032 7.546 -7.472 1.00 0.00 H new ATOM 0 HD23 LEU A 87 38.702 8.461 -8.961 1.00 0.00 H new ATOM 1325 N MET A 88 35.134 5.129 -5.946 1.00 0.00 N ATOM 1326 CA MET A 88 34.023 4.255 -5.624 1.00 0.00 C ATOM 1327 C MET A 88 32.956 5.030 -4.865 1.00 0.00 C ATOM 1328 O MET A 88 33.205 5.526 -3.767 1.00 0.00 O ATOM 1329 CB MET A 88 34.528 3.078 -4.794 1.00 0.00 C ATOM 1330 CG MET A 88 35.888 2.630 -5.321 1.00 0.00 C ATOM 1331 SD MET A 88 36.672 1.337 -4.326 1.00 0.00 S ATOM 1332 CE MET A 88 35.206 0.357 -3.917 1.00 0.00 C ATOM 0 H MET A 88 35.437 5.726 -5.176 1.00 0.00 H new ATOM 0 HA MET A 88 33.579 3.873 -6.543 1.00 0.00 H new ATOM 0 HB2 MET A 88 34.609 3.367 -3.746 1.00 0.00 H new ATOM 0 HB3 MET A 88 33.817 2.253 -4.843 1.00 0.00 H new ATOM 0 HG2 MET A 88 35.769 2.267 -6.342 1.00 0.00 H new ATOM 0 HG3 MET A 88 36.552 3.493 -5.365 1.00 0.00 H new ATOM 0 HE1 MET A 88 35.513 -0.589 -3.472 1.00 0.00 H new ATOM 0 HE2 MET A 88 34.587 0.907 -3.209 1.00 0.00 H new ATOM 0 HE3 MET A 88 34.634 0.162 -4.824 1.00 0.00 H new ATOM 1342 N PHE A 89 31.762 5.134 -5.453 1.00 0.00 N ATOM 1343 CA PHE A 89 30.665 5.846 -4.830 1.00 0.00 C ATOM 1344 C PHE A 89 29.558 4.869 -4.459 1.00 0.00 C ATOM 1345 O PHE A 89 29.154 4.045 -5.275 1.00 0.00 O ATOM 1346 CB PHE A 89 30.145 6.915 -5.788 1.00 0.00 C ATOM 1347 CG PHE A 89 31.072 8.097 -5.935 1.00 0.00 C ATOM 1348 CD1 PHE A 89 32.373 7.910 -6.419 1.00 0.00 C ATOM 1349 CD2 PHE A 89 30.634 9.379 -5.582 1.00 0.00 C ATOM 1350 CE1 PHE A 89 33.234 9.006 -6.553 1.00 0.00 C ATOM 1351 CE2 PHE A 89 31.496 10.475 -5.716 1.00 0.00 C ATOM 1352 CZ PHE A 89 32.795 10.288 -6.201 1.00 0.00 C ATOM 0 H PHE A 89 31.539 4.730 -6.362 1.00 0.00 H new ATOM 0 HA PHE A 89 31.013 6.331 -3.918 1.00 0.00 H new ATOM 0 HB2 PHE A 89 29.984 6.466 -6.768 1.00 0.00 H new ATOM 0 HB3 PHE A 89 29.175 7.266 -5.436 1.00 0.00 H new ATOM 0 HD1 PHE A 89 32.712 6.921 -6.689 1.00 0.00 H new ATOM 0 HD2 PHE A 89 29.632 9.523 -5.206 1.00 0.00 H new ATOM 0 HE1 PHE A 89 34.237 8.862 -6.928 1.00 0.00 H new ATOM 0 HE2 PHE A 89 31.158 11.464 -5.445 1.00 0.00 H new ATOM 0 HZ PHE A 89 33.459 11.133 -6.304 1.00 0.00 H new ATOM 1362 N MET A 90 29.069 4.963 -3.220 1.00 0.00 N ATOM 1363 CA MET A 90 28.015 4.087 -2.748 1.00 0.00 C ATOM 1364 C MET A 90 26.798 4.908 -2.351 1.00 0.00 C ATOM 1365 O MET A 90 26.932 5.993 -1.789 1.00 0.00 O ATOM 1366 CB MET A 90 28.525 3.271 -1.564 1.00 0.00 C ATOM 1367 CG MET A 90 28.945 4.215 -0.440 1.00 0.00 C ATOM 1368 SD MET A 90 29.307 3.379 1.124 1.00 0.00 S ATOM 1369 CE MET A 90 28.099 2.035 1.021 1.00 0.00 C ATOM 0 H MET A 90 29.393 5.641 -2.531 1.00 0.00 H new ATOM 0 HA MET A 90 27.722 3.404 -3.545 1.00 0.00 H new ATOM 0 HB2 MET A 90 27.747 2.594 -1.213 1.00 0.00 H new ATOM 0 HB3 MET A 90 29.370 2.654 -1.870 1.00 0.00 H new ATOM 0 HG2 MET A 90 29.828 4.771 -0.756 1.00 0.00 H new ATOM 0 HG3 MET A 90 28.152 4.944 -0.276 1.00 0.00 H new ATOM 0 HE1 MET A 90 28.037 1.527 1.983 1.00 0.00 H new ATOM 0 HE2 MET A 90 27.122 2.443 0.763 1.00 0.00 H new ATOM 0 HE3 MET A 90 28.410 1.325 0.255 1.00 0.00 H new ATOM 1379 N CYS A 91 25.604 4.387 -2.646 1.00 0.00 N ATOM 1380 CA CYS A 91 24.369 5.071 -2.321 1.00 0.00 C ATOM 1381 C CYS A 91 23.321 4.059 -1.879 1.00 0.00 C ATOM 1382 O CYS A 91 23.369 2.898 -2.280 1.00 0.00 O ATOM 1383 CB CYS A 91 23.884 5.854 -3.539 1.00 0.00 C ATOM 1384 SG CYS A 91 22.769 4.921 -4.616 1.00 0.00 S ATOM 0 H CYS A 91 25.476 3.489 -3.112 1.00 0.00 H new ATOM 0 HA CYS A 91 24.541 5.770 -1.502 1.00 0.00 H new ATOM 0 HB2 CYS A 91 23.375 6.756 -3.199 1.00 0.00 H new ATOM 0 HB3 CYS A 91 24.749 6.176 -4.119 1.00 0.00 H new ATOM 1389 N SER A 92 22.374 4.502 -1.049 1.00 0.00 N ATOM 1390 CA SER A 92 21.322 3.634 -0.559 1.00 0.00 C ATOM 1391 C SER A 92 19.992 4.372 -0.581 1.00 0.00 C ATOM 1392 O SER A 92 19.957 5.592 -0.721 1.00 0.00 O ATOM 1393 CB SER A 92 21.661 3.174 0.857 1.00 0.00 C ATOM 1394 OG SER A 92 22.546 4.098 1.451 1.00 0.00 O ATOM 0 H SER A 92 22.322 5.461 -0.706 1.00 0.00 H new ATOM 0 HA SER A 92 21.240 2.758 -1.202 1.00 0.00 H new ATOM 0 HB2 SER A 92 20.751 3.091 1.452 1.00 0.00 H new ATOM 0 HB3 SER A 92 22.116 2.184 0.830 1.00 0.00 H new ATOM 0 HG SER A 92 22.094 4.555 2.191 1.00 0.00 H new ATOM 1400 N CYS A 93 18.893 3.626 -0.444 1.00 0.00 N ATOM 1401 CA CYS A 93 17.566 4.209 -0.448 1.00 0.00 C ATOM 1402 C CYS A 93 16.523 3.117 -0.261 1.00 0.00 C ATOM 1403 O CYS A 93 16.617 2.053 -0.870 1.00 0.00 O ATOM 1404 CB CYS A 93 17.342 4.952 -1.761 1.00 0.00 C ATOM 1405 SG CYS A 93 17.707 3.966 -3.235 1.00 0.00 S ATOM 0 H CYS A 93 18.906 2.613 -0.329 1.00 0.00 H new ATOM 0 HA CYS A 93 17.473 4.917 0.375 1.00 0.00 H new ATOM 0 HB2 CYS A 93 16.305 5.285 -1.806 1.00 0.00 H new ATOM 0 HB3 CYS A 93 17.964 5.847 -1.771 1.00 0.00 H new ATOM 1410 N THR A 94 15.524 3.381 0.585 1.00 0.00 N ATOM 1411 CA THR A 94 14.472 2.419 0.844 1.00 0.00 C ATOM 1412 C THR A 94 13.493 2.394 -0.322 1.00 0.00 C ATOM 1413 O THR A 94 12.636 1.518 -0.401 1.00 0.00 O ATOM 1414 CB THR A 94 13.757 2.786 2.141 1.00 0.00 C ATOM 1415 OG1 THR A 94 12.934 3.909 1.923 1.00 0.00 O ATOM 1416 CG2 THR A 94 14.790 3.113 3.216 1.00 0.00 C ATOM 0 H THR A 94 15.430 4.257 1.099 1.00 0.00 H new ATOM 0 HA THR A 94 14.904 1.424 0.950 1.00 0.00 H new ATOM 0 HB THR A 94 13.145 1.946 2.469 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.473 4.144 2.756 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.280 3.375 4.143 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.426 2.244 3.385 1.00 0.00 H new ATOM 0 HG23 THR A 94 15.402 3.953 2.889 1.00 0.00 H new ATOM 1424 N GLY A 95 13.624 3.364 -1.231 1.00 0.00 N ATOM 1425 CA GLY A 95 12.752 3.448 -2.385 1.00 0.00 C ATOM 1426 C GLY A 95 12.854 2.176 -3.216 1.00 0.00 C ATOM 1427 O GLY A 95 13.452 1.192 -2.783 1.00 0.00 O ATOM 0 H GLY A 95 14.330 4.099 -1.182 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.722 3.598 -2.061 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.024 4.311 -2.993 1.00 0.00 H new ATOM 1431 N GLU A 96 12.266 2.198 -4.414 1.00 0.00 N ATOM 1432 CA GLU A 96 12.294 1.050 -5.298 1.00 0.00 C ATOM 1433 C GLU A 96 13.408 1.211 -6.323 1.00 0.00 C ATOM 1434 O GLU A 96 13.408 2.160 -7.104 1.00 0.00 O ATOM 1435 CB GLU A 96 10.941 0.908 -5.989 1.00 0.00 C ATOM 1436 CG GLU A 96 10.542 -0.564 -6.029 1.00 0.00 C ATOM 1437 CD GLU A 96 9.191 -0.743 -6.708 1.00 0.00 C ATOM 1438 OE1 GLU A 96 9.119 -0.433 -7.917 1.00 0.00 O ATOM 1439 OE2 GLU A 96 8.257 -1.186 -6.005 1.00 0.00 O ATOM 0 H GLU A 96 11.765 3.005 -4.787 1.00 0.00 H new ATOM 0 HA GLU A 96 12.489 0.147 -4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.186 1.486 -5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.994 1.309 -7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.301 -1.136 -6.563 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.499 -0.961 -5.015 1.00 0.00 H new ATOM 1446 N GLU A 97 14.362 0.276 -6.319 1.00 0.00 N ATOM 1447 CA GLU A 97 15.474 0.318 -7.247 1.00 0.00 C ATOM 1448 C GLU A 97 15.993 1.742 -7.372 1.00 0.00 C ATOM 1449 O GLU A 97 16.625 2.093 -8.367 1.00 0.00 O ATOM 1450 CB GLU A 97 15.021 -0.213 -8.606 1.00 0.00 C ATOM 1451 CG GLU A 97 14.919 -1.735 -8.548 1.00 0.00 C ATOM 1452 CD GLU A 97 13.619 -2.215 -9.176 1.00 0.00 C ATOM 1453 OE1 GLU A 97 13.324 -1.750 -10.297 1.00 0.00 O ATOM 1454 OE2 GLU A 97 12.945 -3.041 -8.522 1.00 0.00 O ATOM 0 H GLU A 97 14.378 -0.517 -5.678 1.00 0.00 H new ATOM 0 HA GLU A 97 16.284 -0.310 -6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 97 14.056 0.217 -8.873 1.00 0.00 H new ATOM 0 HB3 GLU A 97 15.728 0.086 -9.380 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.766 -2.181 -9.070 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.972 -2.068 -7.511 1.00 0.00 H new ATOM 1461 N CYS A 98 15.724 2.566 -6.356 1.00 0.00 N ATOM 1462 CA CYS A 98 16.165 3.947 -6.353 1.00 0.00 C ATOM 1463 C CYS A 98 17.685 4.002 -6.394 1.00 0.00 C ATOM 1464 O CYS A 98 18.261 5.026 -6.755 1.00 0.00 O ATOM 1465 CB CYS A 98 15.630 4.649 -5.108 1.00 0.00 C ATOM 1466 SG CYS A 98 15.636 3.614 -3.622 1.00 0.00 S ATOM 0 H CYS A 98 15.200 2.291 -5.525 1.00 0.00 H new ATOM 0 HA CYS A 98 15.779 4.459 -7.235 1.00 0.00 H new ATOM 0 HB2 CYS A 98 16.228 5.541 -4.920 1.00 0.00 H new ATOM 0 HB3 CYS A 98 14.611 4.984 -5.301 1.00 0.00 H new ATOM 1471 N ASN A 99 18.335 2.898 -6.021 1.00 0.00 N ATOM 1472 CA ASN A 99 19.782 2.828 -6.018 1.00 0.00 C ATOM 1473 C ASN A 99 20.305 2.831 -7.447 1.00 0.00 C ATOM 1474 O ASN A 99 21.414 3.295 -7.705 1.00 0.00 O ATOM 1475 CB ASN A 99 20.226 1.566 -5.283 1.00 0.00 C ATOM 1476 CG ASN A 99 19.885 0.320 -6.086 1.00 0.00 C ATOM 1477 OD1 ASN A 99 18.929 0.321 -6.858 1.00 0.00 O ATOM 1478 ND2 ASN A 99 20.669 -0.744 -5.903 1.00 0.00 N ATOM 0 H ASN A 99 17.872 2.041 -5.717 1.00 0.00 H new ATOM 0 HA ASN A 99 20.190 3.698 -5.503 1.00 0.00 H new ATOM 0 HB2 ASN A 99 21.300 1.604 -5.103 1.00 0.00 H new ATOM 0 HB3 ASN A 99 19.741 1.519 -4.308 1.00 0.00 H new ATOM 0 HD21 ASN A 99 20.486 -1.606 -6.416 1.00 0.00 H new ATOM 0 HD22 ASN A 99 21.451 -0.695 -5.250 1.00 0.00 H new ATOM 1485 N ASP A 100 19.501 2.312 -8.378 1.00 0.00 N ATOM 1486 CA ASP A 100 19.884 2.257 -9.774 1.00 0.00 C ATOM 1487 C ASP A 100 20.310 3.640 -10.246 1.00 0.00 C ATOM 1488 O ASP A 100 21.212 3.765 -11.072 1.00 0.00 O ATOM 1489 CB ASP A 100 18.712 1.739 -10.602 1.00 0.00 C ATOM 1490 CG ASP A 100 17.982 2.885 -11.287 1.00 0.00 C ATOM 1491 OD1 ASP A 100 18.547 3.411 -12.271 1.00 0.00 O ATOM 1492 OD2 ASP A 100 16.874 3.216 -10.814 1.00 0.00 O ATOM 0 H ASP A 100 18.578 1.925 -8.180 1.00 0.00 H new ATOM 0 HA ASP A 100 20.727 1.577 -9.898 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.074 1.034 -11.350 1.00 0.00 H new ATOM 0 HB3 ASP A 100 18.020 1.194 -9.959 1.00 0.00 H new ATOM 1497 N VAL A 101 19.657 4.679 -9.721 1.00 0.00 N ATOM 1498 CA VAL A 101 19.970 6.045 -10.091 1.00 0.00 C ATOM 1499 C VAL A 101 21.034 6.600 -9.154 1.00 0.00 C ATOM 1500 O VAL A 101 20.734 6.981 -8.025 1.00 0.00 O ATOM 1501 CB VAL A 101 18.702 6.891 -10.031 1.00 0.00 C ATOM 1502 CG1 VAL A 101 18.726 7.925 -11.152 1.00 0.00 C ATOM 1503 CG2 VAL A 101 17.482 5.990 -10.196 1.00 0.00 C ATOM 0 H VAL A 101 18.906 4.591 -9.036 1.00 0.00 H new ATOM 0 HA VAL A 101 20.360 6.071 -11.109 1.00 0.00 H new ATOM 0 HB VAL A 101 18.650 7.400 -9.069 1.00 0.00 H new ATOM 0 HG11 VAL A 101 17.820 8.529 -11.109 1.00 0.00 H new ATOM 0 HG12 VAL A 101 19.598 8.569 -11.034 1.00 0.00 H new ATOM 0 HG13 VAL A 101 18.778 7.417 -12.115 1.00 0.00 H new ATOM 0 HG21 VAL A 101 16.575 6.594 -10.153 1.00 0.00 H new ATOM 0 HG22 VAL A 101 17.534 5.480 -11.158 1.00 0.00 H new ATOM 0 HG23 VAL A 101 17.464 5.251 -9.395 1.00 0.00 H new ATOM 1513 N LEU A 102 22.283 6.647 -9.627 1.00 0.00 N ATOM 1514 CA LEU A 102 23.382 7.155 -8.833 1.00 0.00 C ATOM 1515 C LEU A 102 23.620 8.623 -9.158 1.00 0.00 C ATOM 1516 O LEU A 102 24.074 8.954 -10.253 1.00 0.00 O ATOM 1517 CB LEU A 102 24.635 6.330 -9.112 1.00 0.00 C ATOM 1518 CG LEU A 102 24.487 5.621 -10.456 1.00 0.00 C ATOM 1519 CD1 LEU A 102 25.869 5.281 -11.007 1.00 0.00 C ATOM 1520 CD2 LEU A 102 23.683 4.338 -10.268 1.00 0.00 C ATOM 0 H LEU A 102 22.549 6.336 -10.561 1.00 0.00 H new ATOM 0 HA LEU A 102 23.137 7.073 -7.774 1.00 0.00 H new ATOM 0 HB2 LEU A 102 25.513 6.975 -9.124 1.00 0.00 H new ATOM 0 HB3 LEU A 102 24.787 5.599 -8.318 1.00 0.00 H new ATOM 0 HG LEU A 102 23.968 6.275 -11.157 1.00 0.00 H new ATOM 0 HD11 LEU A 102 25.764 4.775 -11.967 1.00 0.00 H new ATOM 0 HD12 LEU A 102 26.443 6.198 -11.142 1.00 0.00 H new ATOM 0 HD13 LEU A 102 26.389 4.627 -10.307 1.00 0.00 H new ATOM 0 HD21 LEU A 102 23.577 3.831 -11.227 1.00 0.00 H new ATOM 0 HD22 LEU A 102 24.201 3.683 -9.567 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.696 4.581 -9.875 1.00 0.00 H new ATOM 1532 N ILE A 103 23.312 9.505 -8.205 1.00 0.00 N ATOM 1533 CA ILE A 103 23.493 10.931 -8.391 1.00 0.00 C ATOM 1534 C ILE A 103 24.882 11.339 -7.918 1.00 0.00 C ATOM 1535 O ILE A 103 25.250 11.083 -6.774 1.00 0.00 O ATOM 1536 CB ILE A 103 22.414 11.686 -7.620 1.00 0.00 C ATOM 1537 CG1 ILE A 103 21.170 11.825 -8.491 1.00 0.00 C ATOM 1538 CG2 ILE A 103 22.932 13.072 -7.247 1.00 0.00 C ATOM 1539 CD1 ILE A 103 19.941 11.392 -7.696 1.00 0.00 C ATOM 0 H ILE A 103 22.934 9.246 -7.294 1.00 0.00 H new ATOM 0 HA ILE A 103 23.403 11.179 -9.449 1.00 0.00 H new ATOM 0 HB ILE A 103 22.162 11.136 -6.713 1.00 0.00 H new ATOM 0 HG12 ILE A 103 21.058 12.858 -8.821 1.00 0.00 H new ATOM 0 HG13 ILE A 103 21.271 11.213 -9.387 1.00 0.00 H new ATOM 0 HG21 ILE A 103 22.162 13.612 -6.696 1.00 0.00 H new ATOM 0 HG22 ILE A 103 23.821 12.973 -6.625 1.00 0.00 H new ATOM 0 HG23 ILE A 103 23.183 13.623 -8.154 1.00 0.00 H new ATOM 0 HD11 ILE A 103 19.052 11.491 -8.318 1.00 0.00 H new ATOM 0 HD12 ILE A 103 20.054 10.353 -7.388 1.00 0.00 H new ATOM 0 HD13 ILE A 103 19.838 12.023 -6.813 1.00 0.00 H new ATOM 1551 N PHE A 104 25.652 11.977 -8.802 1.00 0.00 N ATOM 1552 CA PHE A 104 26.993 12.416 -8.468 1.00 0.00 C ATOM 1553 C PHE A 104 27.043 13.936 -8.429 1.00 0.00 C ATOM 1554 O PHE A 104 26.849 14.594 -9.449 1.00 0.00 O ATOM 1555 CB PHE A 104 27.977 11.868 -9.498 1.00 0.00 C ATOM 1556 CG PHE A 104 27.908 10.368 -9.660 1.00 0.00 C ATOM 1557 CD1 PHE A 104 26.801 9.781 -10.284 1.00 0.00 C ATOM 1558 CD2 PHE A 104 28.952 9.565 -9.188 1.00 0.00 C ATOM 1559 CE1 PHE A 104 26.738 8.390 -10.435 1.00 0.00 C ATOM 1560 CE2 PHE A 104 28.890 8.174 -9.338 1.00 0.00 C ATOM 1561 CZ PHE A 104 27.782 7.587 -9.963 1.00 0.00 C ATOM 0 H PHE A 104 25.362 12.198 -9.755 1.00 0.00 H new ATOM 0 HA PHE A 104 27.270 12.038 -7.484 1.00 0.00 H new ATOM 0 HB2 PHE A 104 27.782 12.339 -10.462 1.00 0.00 H new ATOM 0 HB3 PHE A 104 28.989 12.148 -9.206 1.00 0.00 H new ATOM 0 HD1 PHE A 104 25.995 10.401 -10.649 1.00 0.00 H new ATOM 0 HD2 PHE A 104 29.806 10.018 -8.708 1.00 0.00 H new ATOM 0 HE1 PHE A 104 25.883 7.937 -10.916 1.00 0.00 H new ATOM 0 HE2 PHE A 104 29.695 7.554 -8.972 1.00 0.00 H new ATOM 0 HZ PHE A 104 27.734 6.514 -10.080 1.00 0.00 H new ATOM 1571 N SER A 105 27.306 14.496 -7.245 1.00 0.00 N ATOM 1572 CA SER A 105 27.382 15.932 -7.080 1.00 0.00 C ATOM 1573 C SER A 105 28.611 16.294 -6.259 1.00 0.00 C ATOM 1574 O SER A 105 28.793 15.790 -5.152 1.00 0.00 O ATOM 1575 CB SER A 105 26.111 16.433 -6.400 1.00 0.00 C ATOM 1576 OG SER A 105 26.222 16.253 -5.005 1.00 0.00 O ATOM 0 H SER A 105 27.469 13.966 -6.389 1.00 0.00 H new ATOM 0 HA SER A 105 27.469 16.409 -8.056 1.00 0.00 H new ATOM 0 HB2 SER A 105 25.954 17.487 -6.630 1.00 0.00 H new ATOM 0 HB3 SER A 105 25.245 15.891 -6.780 1.00 0.00 H new ATOM 0 HG SER A 105 27.032 15.739 -4.805 1.00 0.00 H new ATOM 1582 N ALA A 106 29.457 17.171 -6.804 1.00 0.00 N ATOM 1583 CA ALA A 106 30.663 17.596 -6.122 1.00 0.00 C ATOM 1584 C ALA A 106 30.309 18.560 -4.999 1.00 0.00 C ATOM 1585 O ALA A 106 31.111 19.417 -4.637 1.00 0.00 O ATOM 1586 CB ALA A 106 31.608 18.255 -7.123 1.00 0.00 C ATOM 0 H ALA A 106 29.320 17.598 -7.720 1.00 0.00 H new ATOM 0 HA ALA A 106 31.163 16.731 -5.686 1.00 0.00 H new ATOM 0 HB1 ALA A 106 32.515 18.575 -6.611 1.00 0.00 H new ATOM 0 HB2 ALA A 106 31.866 17.541 -7.905 1.00 0.00 H new ATOM 0 HB3 ALA A 106 31.119 19.121 -7.569 1.00 0.00 H new