USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 772 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 96 HIS : no HD1:sc= -1.94! K(o=-3.9!,f=0.031) USER MOD Set 1.2: A 97 HIS : no HD1:sc= -1.96! K(o=-3.9!,f=0.031) USER MOD Set 2.1: A 6 GLN : amide:sc= 0.0317 K(o=-0.36,f=-0.88) USER MOD Set 2.2: A 72 SER OG : rot 170:sc= -0.388 USER MOD Set 3.1: A 41 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 20 ASN : amide:sc= -0.0611 K(o=-0.057,f=-0.67) USER MOD Set 4.2: A 26 GLN : amide:sc= 0.00387 K(o=-0.057,f=-0.69) USER MOD Set 5.1: A 7 LYS NZ :NH3+ -141:sc= 1.2 (180deg=-0.37) USER MOD Set 5.2: A 46 ASN : amide:sc= 1.01 K(o=2.2,f=-8.4!) USER MOD Single : A 1 MET CE :methyl 159:sc= -0.117 (180deg=-0.605) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 12 SER OG : rot 175:sc= 1.13 USER MOD Single : A 13 ASN : amide:sc= 0.75 K(o=0.75,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 147:sc= 1.17 (180deg=0.763) USER MOD Single : A 17 LYS NZ :NH3+ 172:sc= 1.17 (180deg=1.03) USER MOD Single : A 24 SER OG : rot -31:sc= 0.85 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 85:sc= 0.923 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 155:sc= -0.221 (180deg=-0.867) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 59 GLN : amide:sc= 0.0474 X(o=0.047,f=-0.1) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0279 USER MOD Single : A 61 HIS : no HD1:sc=-0.00144 X(o=-0.0014,f=-0.0014) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.0291) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 83 SER OG : rot -21:sc= 0.904 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0654 USER MOD Single : A 88 ASN : amide:sc= -0.601 K(o=-0.6,f=0) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= 0.181 K(o=0.18,f=-4.6!) USER MOD Single : A 94 HIS : no HD1:sc=-0.00968 X(o=-0.0097,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.512 -18.688 -1.730 1.00 0.00 N ATOM 2 CA MET A 1 9.819 -18.441 -3.013 1.00 0.00 C ATOM 3 C MET A 1 8.314 -18.530 -2.815 1.00 0.00 C ATOM 4 O MET A 1 7.804 -19.537 -2.323 1.00 0.00 O ATOM 5 CB MET A 1 10.258 -19.456 -4.072 1.00 0.00 C ATOM 6 CG MET A 1 9.675 -19.180 -5.450 1.00 0.00 C ATOM 7 SD MET A 1 10.065 -20.471 -6.647 1.00 0.00 S ATOM 8 CE MET A 1 9.163 -21.860 -5.961 1.00 0.00 C ATOM 0 H1 MET A 1 11.540 -18.626 -1.873 1.00 0.00 H new ATOM 0 H2 MET A 1 10.216 -17.976 -1.033 1.00 0.00 H new ATOM 0 H3 MET A 1 10.268 -19.637 -1.381 1.00 0.00 H new ATOM 0 HA MET A 1 10.083 -17.441 -3.357 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.346 -19.453 -4.138 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.961 -20.455 -3.753 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.592 -19.082 -5.368 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.055 -18.226 -5.815 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.990 -22.602 -6.740 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.744 -22.309 -5.155 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.206 -21.515 -5.570 1.00 0.00 H new ATOM 20 N ALA A 2 7.605 -17.481 -3.198 1.00 0.00 N ATOM 21 CA ALA A 2 6.164 -17.442 -3.037 1.00 0.00 C ATOM 22 C ALA A 2 5.494 -16.907 -4.295 1.00 0.00 C ATOM 23 O ALA A 2 5.965 -15.937 -4.890 1.00 0.00 O ATOM 24 CB ALA A 2 5.790 -16.590 -1.833 1.00 0.00 C ATOM 0 H ALA A 2 8.006 -16.645 -3.623 1.00 0.00 H new ATOM 0 HA ALA A 2 5.810 -18.459 -2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.706 -16.570 -1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.237 -17.014 -0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.159 -15.575 -1.977 1.00 0.00 H new ATOM 30 N PRO A 3 4.409 -17.562 -4.739 1.00 0.00 N ATOM 31 CA PRO A 3 3.592 -17.082 -5.859 1.00 0.00 C ATOM 32 C PRO A 3 3.026 -15.693 -5.581 1.00 0.00 C ATOM 33 O PRO A 3 2.856 -14.878 -6.487 1.00 0.00 O ATOM 34 CB PRO A 3 2.464 -18.113 -5.952 1.00 0.00 C ATOM 35 CG PRO A 3 3.007 -19.333 -5.294 1.00 0.00 C ATOM 36 CD PRO A 3 3.909 -18.839 -4.202 1.00 0.00 C ATOM 0 HA PRO A 3 4.166 -16.988 -6.781 1.00 0.00 H new ATOM 0 HB2 PRO A 3 1.564 -17.760 -5.449 1.00 0.00 H new ATOM 0 HB3 PRO A 3 2.193 -18.310 -6.989 1.00 0.00 H new ATOM 0 HG2 PRO A 3 2.204 -19.950 -4.890 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.556 -19.950 -6.006 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.370 -18.700 -3.265 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.721 -19.538 -4.002 1.00 0.00 H new ATOM 44 N LEU A 4 2.712 -15.445 -4.317 1.00 0.00 N ATOM 45 CA LEU A 4 2.319 -14.122 -3.868 1.00 0.00 C ATOM 46 C LEU A 4 3.525 -13.196 -3.941 1.00 0.00 C ATOM 47 O LEU A 4 4.561 -13.471 -3.340 1.00 0.00 O ATOM 48 CB LEU A 4 1.788 -14.188 -2.437 1.00 0.00 C ATOM 49 CG LEU A 4 1.118 -12.913 -1.926 1.00 0.00 C ATOM 50 CD1 LEU A 4 -0.079 -12.562 -2.792 1.00 0.00 C ATOM 51 CD2 LEU A 4 0.695 -13.085 -0.477 1.00 0.00 C ATOM 0 H LEU A 4 2.723 -16.151 -3.581 1.00 0.00 H new ATOM 0 HA LEU A 4 1.526 -13.738 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 4 1.071 -15.006 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.615 -14.435 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 4 1.836 -12.095 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.546 -11.652 -2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.249 -12.404 -3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.801 -13.378 -2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.219 -12.169 -0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -0.010 -13.913 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.572 -13.296 0.135 1.00 0.00 H new ATOM 63 N GLN A 5 3.390 -12.108 -4.675 1.00 0.00 N ATOM 64 CA GLN A 5 4.503 -11.211 -4.900 1.00 0.00 C ATOM 65 C GLN A 5 4.690 -10.294 -3.700 1.00 0.00 C ATOM 66 O GLN A 5 3.845 -9.450 -3.402 1.00 0.00 O ATOM 67 CB GLN A 5 4.277 -10.403 -6.179 1.00 0.00 C ATOM 68 CG GLN A 5 4.175 -11.283 -7.418 1.00 0.00 C ATOM 69 CD GLN A 5 3.831 -10.509 -8.676 1.00 0.00 C ATOM 70 OE1 GLN A 5 3.136 -9.495 -8.630 1.00 0.00 O ATOM 71 NE2 GLN A 5 4.310 -10.995 -9.811 1.00 0.00 N ATOM 0 H GLN A 5 2.519 -11.825 -5.125 1.00 0.00 H new ATOM 0 HA GLN A 5 5.414 -11.797 -5.024 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.363 -9.817 -6.078 1.00 0.00 H new ATOM 0 HB3 GLN A 5 5.096 -9.696 -6.307 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.122 -11.801 -7.566 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.416 -12.047 -7.251 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.883 -11.839 -9.803 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.106 -10.525 -10.693 1.00 0.00 H new ATOM 80 N GLN A 6 5.798 -10.493 -3.000 1.00 0.00 N ATOM 81 CA GLN A 6 6.116 -9.707 -1.825 1.00 0.00 C ATOM 82 C GLN A 6 7.326 -8.827 -2.090 1.00 0.00 C ATOM 83 O GLN A 6 8.449 -9.315 -2.227 1.00 0.00 O ATOM 84 CB GLN A 6 6.375 -10.620 -0.625 1.00 0.00 C ATOM 85 CG GLN A 6 5.152 -11.413 -0.194 1.00 0.00 C ATOM 86 CD GLN A 6 5.416 -12.296 1.010 1.00 0.00 C ATOM 87 OE1 GLN A 6 6.526 -12.788 1.211 1.00 0.00 O ATOM 88 NE2 GLN A 6 4.397 -12.487 1.832 1.00 0.00 N ATOM 0 H GLN A 6 6.495 -11.200 -3.232 1.00 0.00 H new ATOM 0 HA GLN A 6 5.264 -9.067 -1.595 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.179 -11.313 -0.872 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.721 -10.016 0.214 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.341 -10.723 0.039 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.815 -12.032 -1.025 1.00 0.00 H new ATOM 0 HE21 GLN A 6 3.492 -12.062 1.630 1.00 0.00 H new ATOM 0 HE22 GLN A 6 4.516 -13.060 2.668 1.00 0.00 H new ATOM 97 N LYS A 7 7.089 -7.533 -2.176 1.00 0.00 N ATOM 98 CA LYS A 7 8.146 -6.576 -2.450 1.00 0.00 C ATOM 99 C LYS A 7 8.127 -5.495 -1.374 1.00 0.00 C ATOM 100 O LYS A 7 7.062 -4.993 -1.016 1.00 0.00 O ATOM 101 CB LYS A 7 7.940 -5.971 -3.850 1.00 0.00 C ATOM 102 CG LYS A 7 9.205 -5.417 -4.500 1.00 0.00 C ATOM 103 CD LYS A 7 9.655 -4.113 -3.866 1.00 0.00 C ATOM 104 CE LYS A 7 10.945 -3.597 -4.482 1.00 0.00 C ATOM 105 NZ LYS A 7 12.047 -4.590 -4.381 1.00 0.00 N ATOM 0 H LYS A 7 6.165 -7.116 -2.059 1.00 0.00 H new ATOM 0 HA LYS A 7 9.118 -7.068 -2.433 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.518 -6.736 -4.502 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.204 -5.170 -3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.005 -6.153 -4.419 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.025 -5.258 -5.563 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.872 -3.364 -3.983 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.798 -4.260 -2.795 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.773 -3.351 -5.530 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.241 -2.674 -3.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.938 -4.099 -4.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.834 -5.269 -3.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.140 -5.098 -5.284 1.00 0.00 H new ATOM 119 N GLN A 8 9.294 -5.159 -0.839 1.00 0.00 N ATOM 120 CA GLN A 8 9.382 -4.141 0.198 1.00 0.00 C ATOM 121 C GLN A 8 9.319 -2.748 -0.414 1.00 0.00 C ATOM 122 O GLN A 8 10.120 -2.397 -1.286 1.00 0.00 O ATOM 123 CB GLN A 8 10.656 -4.310 1.025 1.00 0.00 C ATOM 124 CG GLN A 8 10.679 -5.592 1.841 1.00 0.00 C ATOM 125 CD GLN A 8 11.873 -5.673 2.771 1.00 0.00 C ATOM 126 OE1 GLN A 8 12.941 -5.133 2.484 1.00 0.00 O ATOM 127 NE2 GLN A 8 11.698 -6.344 3.898 1.00 0.00 N ATOM 0 H GLN A 8 10.187 -5.574 -1.104 1.00 0.00 H new ATOM 0 HA GLN A 8 8.529 -4.263 0.866 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.518 -4.297 0.358 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.760 -3.458 1.697 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.762 -5.661 2.427 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.691 -6.447 1.166 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.797 -6.777 4.099 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.464 -6.428 4.566 1.00 0.00 H new ATOM 136 N VAL A 9 8.354 -1.964 0.041 1.00 0.00 N ATOM 137 CA VAL A 9 8.118 -0.636 -0.507 1.00 0.00 C ATOM 138 C VAL A 9 7.929 0.391 0.602 1.00 0.00 C ATOM 139 O VAL A 9 7.825 0.043 1.780 1.00 0.00 O ATOM 140 CB VAL A 9 6.873 -0.611 -1.421 1.00 0.00 C ATOM 141 CG1 VAL A 9 7.133 -1.367 -2.716 1.00 0.00 C ATOM 142 CG2 VAL A 9 5.668 -1.192 -0.699 1.00 0.00 C ATOM 0 H VAL A 9 7.717 -2.226 0.793 1.00 0.00 H new ATOM 0 HA VAL A 9 8.999 -0.381 -1.096 1.00 0.00 H new ATOM 0 HB VAL A 9 6.659 0.428 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.241 -1.334 -3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.965 -0.905 -3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.379 -2.404 -2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.801 -1.166 -1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.877 -2.223 -0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.461 -0.604 0.195 1.00 0.00 H new ATOM 152 N VAL A 10 7.893 1.654 0.208 1.00 0.00 N ATOM 153 CA VAL A 10 7.646 2.748 1.132 1.00 0.00 C ATOM 154 C VAL A 10 6.216 3.241 0.968 1.00 0.00 C ATOM 155 O VAL A 10 5.730 3.365 -0.152 1.00 0.00 O ATOM 156 CB VAL A 10 8.593 3.941 0.878 1.00 0.00 C ATOM 157 CG1 VAL A 10 8.634 4.865 2.085 1.00 0.00 C ATOM 158 CG2 VAL A 10 9.989 3.470 0.503 1.00 0.00 C ATOM 0 H VAL A 10 8.034 1.948 -0.758 1.00 0.00 H new ATOM 0 HA VAL A 10 7.820 2.367 2.138 1.00 0.00 H new ATOM 0 HB VAL A 10 8.199 4.505 0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.307 5.698 1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.633 5.248 2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.991 4.313 2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.631 4.334 0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.400 2.869 1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.939 2.869 -0.405 1.00 0.00 H new ATOM 168 N VAL A 11 5.539 3.508 2.071 1.00 0.00 N ATOM 169 CA VAL A 11 4.220 4.114 2.007 1.00 0.00 C ATOM 170 C VAL A 11 4.364 5.628 1.985 1.00 0.00 C ATOM 171 O VAL A 11 4.603 6.248 3.019 1.00 0.00 O ATOM 172 CB VAL A 11 3.336 3.692 3.196 1.00 0.00 C ATOM 173 CG1 VAL A 11 1.928 4.254 3.052 1.00 0.00 C ATOM 174 CG2 VAL A 11 3.301 2.178 3.314 1.00 0.00 C ATOM 0 H VAL A 11 5.877 3.317 3.014 1.00 0.00 H new ATOM 0 HA VAL A 11 3.733 3.768 1.096 1.00 0.00 H new ATOM 0 HB VAL A 11 3.769 4.101 4.109 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.323 3.942 3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.972 5.343 3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.479 3.880 2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.673 1.893 4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.893 1.751 2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.312 1.802 3.471 1.00 0.00 H new ATOM 184 N SER A 12 4.255 6.209 0.801 1.00 0.00 N ATOM 185 CA SER A 12 4.494 7.632 0.625 1.00 0.00 C ATOM 186 C SER A 12 3.349 8.469 1.186 1.00 0.00 C ATOM 187 O SER A 12 3.545 9.259 2.110 1.00 0.00 O ATOM 188 CB SER A 12 4.699 7.945 -0.859 1.00 0.00 C ATOM 189 OG SER A 12 5.748 7.160 -1.406 1.00 0.00 O ATOM 0 H SER A 12 4.002 5.715 -0.055 1.00 0.00 H new ATOM 0 HA SER A 12 5.395 7.892 1.180 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.775 7.755 -1.405 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.930 9.003 -0.982 1.00 0.00 H new ATOM 0 HG SER A 12 5.809 7.322 -2.371 1.00 0.00 H new ATOM 195 N ASN A 13 2.159 8.289 0.631 1.00 0.00 N ATOM 196 CA ASN A 13 1.005 9.089 1.021 1.00 0.00 C ATOM 197 C ASN A 13 -0.276 8.456 0.509 1.00 0.00 C ATOM 198 O ASN A 13 -0.236 7.468 -0.228 1.00 0.00 O ATOM 199 CB ASN A 13 1.127 10.519 0.476 1.00 0.00 C ATOM 200 CG ASN A 13 1.275 10.568 -1.037 1.00 0.00 C ATOM 201 OD1 ASN A 13 2.386 10.517 -1.565 1.00 0.00 O ATOM 202 ND2 ASN A 13 0.161 10.677 -1.747 1.00 0.00 N ATOM 0 H ASN A 13 1.966 7.595 -0.092 1.00 0.00 H new ATOM 0 HA ASN A 13 0.974 9.128 2.110 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.245 11.090 0.768 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.988 11.005 0.936 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.207 10.721 -2.765 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.743 10.716 -1.275 1.00 0.00 H new ATOM 209 N LYS A 14 -1.407 9.026 0.902 1.00 0.00 N ATOM 210 CA LYS A 14 -2.698 8.557 0.427 1.00 0.00 C ATOM 211 C LYS A 14 -3.137 9.362 -0.789 1.00 0.00 C ATOM 212 O LYS A 14 -2.629 10.460 -1.032 1.00 0.00 O ATOM 213 CB LYS A 14 -3.767 8.670 1.521 1.00 0.00 C ATOM 214 CG LYS A 14 -4.173 10.100 1.851 1.00 0.00 C ATOM 215 CD LYS A 14 -5.417 10.132 2.725 1.00 0.00 C ATOM 216 CE LYS A 14 -5.902 11.554 2.974 1.00 0.00 C ATOM 217 NZ LYS A 14 -6.207 12.277 1.709 1.00 0.00 N ATOM 0 H LYS A 14 -1.455 9.814 1.548 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.588 7.508 0.153 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.652 8.116 1.207 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.396 8.191 2.427 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.353 10.604 2.362 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.360 10.650 0.928 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.210 9.557 2.248 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.203 9.650 3.679 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.795 11.527 3.599 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.141 12.103 3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.996 12.936 1.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.368 12.809 1.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.471 11.592 0.972 1.00 0.00 H new ATOM 231 N ARG A 15 -4.066 8.806 -1.545 1.00 0.00 N ATOM 232 CA ARG A 15 -4.674 9.499 -2.671 1.00 0.00 C ATOM 233 C ARG A 15 -6.083 8.984 -2.904 1.00 0.00 C ATOM 234 O ARG A 15 -6.356 7.796 -2.722 1.00 0.00 O ATOM 235 CB ARG A 15 -3.853 9.318 -3.951 1.00 0.00 C ATOM 236 CG ARG A 15 -2.856 10.436 -4.213 1.00 0.00 C ATOM 237 CD ARG A 15 -2.233 10.299 -5.591 1.00 0.00 C ATOM 238 NE ARG A 15 -1.423 11.461 -5.953 1.00 0.00 N ATOM 239 CZ ARG A 15 -1.298 11.918 -7.198 1.00 0.00 C ATOM 240 NH1 ARG A 15 -1.969 11.345 -8.190 1.00 0.00 N ATOM 241 NH2 ARG A 15 -0.513 12.956 -7.452 1.00 0.00 N ATOM 0 H ARG A 15 -4.422 7.861 -1.397 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.703 10.561 -2.426 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.315 8.372 -3.894 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.534 9.247 -4.799 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.356 11.401 -4.131 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.075 10.416 -3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.612 9.404 -5.619 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.021 10.164 -6.332 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.925 11.950 -5.209 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.582 10.553 -8.000 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.871 11.697 -9.142 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.002 13.407 -6.693 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.420 13.303 -8.407 1.00 0.00 H new ATOM 255 N GLU A 16 -6.976 9.879 -3.283 1.00 0.00 N ATOM 256 CA GLU A 16 -8.319 9.490 -3.670 1.00 0.00 C ATOM 257 C GLU A 16 -8.503 9.706 -5.166 1.00 0.00 C ATOM 258 O GLU A 16 -8.299 10.812 -5.666 1.00 0.00 O ATOM 259 CB GLU A 16 -9.383 10.293 -2.907 1.00 0.00 C ATOM 260 CG GLU A 16 -9.320 10.154 -1.392 1.00 0.00 C ATOM 261 CD GLU A 16 -8.575 11.295 -0.725 1.00 0.00 C ATOM 262 OE1 GLU A 16 -9.162 12.394 -0.588 1.00 0.00 O ATOM 263 OE2 GLU A 16 -7.408 11.101 -0.322 1.00 0.00 O ATOM 0 H GLU A 16 -6.795 10.882 -3.331 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.446 8.436 -3.423 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.279 11.347 -3.166 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.370 9.977 -3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.334 10.107 -0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.834 9.212 -1.139 1.00 0.00 H new ATOM 270 N LYS A 17 -8.866 8.656 -5.887 1.00 0.00 N ATOM 271 CA LYS A 17 -9.196 8.807 -7.296 1.00 0.00 C ATOM 272 C LYS A 17 -10.680 9.103 -7.444 1.00 0.00 C ATOM 273 O LYS A 17 -11.520 8.377 -6.904 1.00 0.00 O ATOM 274 CB LYS A 17 -8.859 7.549 -8.106 1.00 0.00 C ATOM 275 CG LYS A 17 -7.388 7.173 -8.128 1.00 0.00 C ATOM 276 CD LYS A 17 -7.103 6.201 -9.266 1.00 0.00 C ATOM 277 CE LYS A 17 -5.708 5.601 -9.179 1.00 0.00 C ATOM 278 NZ LYS A 17 -5.633 4.511 -8.171 1.00 0.00 N ATOM 0 H LYS A 17 -8.939 7.704 -5.527 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.597 9.631 -7.684 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.426 6.711 -7.700 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.196 7.695 -9.132 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.779 8.069 -8.246 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.108 6.721 -7.177 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.842 5.400 -9.250 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.214 6.718 -10.219 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.419 5.212 -10.155 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.993 6.382 -8.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.708 4.040 -8.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.750 4.911 -7.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.388 3.819 -8.351 1.00 0.00 H new ATOM 292 N PRO A 18 -11.023 10.187 -8.156 1.00 0.00 N ATOM 293 CA PRO A 18 -12.415 10.541 -8.435 1.00 0.00 C ATOM 294 C PRO A 18 -13.127 9.426 -9.192 1.00 0.00 C ATOM 295 O PRO A 18 -12.761 9.097 -10.321 1.00 0.00 O ATOM 296 CB PRO A 18 -12.309 11.802 -9.301 1.00 0.00 C ATOM 297 CG PRO A 18 -10.950 12.345 -9.026 1.00 0.00 C ATOM 298 CD PRO A 18 -10.081 11.154 -8.743 1.00 0.00 C ATOM 0 HA PRO A 18 -12.993 10.699 -7.525 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.434 11.567 -10.358 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -13.083 12.525 -9.042 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.574 12.909 -9.880 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.967 13.027 -8.176 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -9.619 10.767 -9.651 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.273 11.399 -8.054 1.00 0.00 H new ATOM 306 N VAL A 19 -14.124 8.831 -8.557 1.00 0.00 N ATOM 307 CA VAL A 19 -14.835 7.712 -9.150 1.00 0.00 C ATOM 308 C VAL A 19 -15.917 8.209 -10.100 1.00 0.00 C ATOM 309 O VAL A 19 -17.046 8.488 -9.685 1.00 0.00 O ATOM 310 CB VAL A 19 -15.471 6.799 -8.080 1.00 0.00 C ATOM 311 CG1 VAL A 19 -15.974 5.507 -8.706 1.00 0.00 C ATOM 312 CG2 VAL A 19 -14.485 6.506 -6.960 1.00 0.00 C ATOM 0 H VAL A 19 -14.458 9.104 -7.633 1.00 0.00 H new ATOM 0 HA VAL A 19 -14.101 7.126 -9.704 1.00 0.00 H new ATOM 0 HB VAL A 19 -16.323 7.325 -7.650 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -16.418 4.878 -7.935 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -16.724 5.737 -9.463 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -15.141 4.979 -9.169 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -14.957 5.861 -6.219 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.607 6.006 -7.370 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.183 7.441 -6.488 1.00 0.00 H new ATOM 322 N ASN A 20 -15.560 8.321 -11.373 1.00 0.00 N ATOM 323 CA ASN A 20 -16.494 8.758 -12.408 1.00 0.00 C ATOM 324 C ASN A 20 -17.565 7.696 -12.608 1.00 0.00 C ATOM 325 O ASN A 20 -18.670 7.975 -13.079 1.00 0.00 O ATOM 326 CB ASN A 20 -15.763 9.007 -13.735 1.00 0.00 C ATOM 327 CG ASN A 20 -14.633 10.016 -13.619 1.00 0.00 C ATOM 328 OD1 ASN A 20 -14.833 11.222 -13.789 1.00 0.00 O ATOM 329 ND2 ASN A 20 -13.430 9.528 -13.344 1.00 0.00 N ATOM 0 H ASN A 20 -14.623 8.114 -11.718 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.954 9.692 -12.086 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.361 8.063 -14.103 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.480 9.359 -14.476 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -12.630 10.156 -13.266 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -13.305 8.525 -13.210 1.00 0.00 H new ATOM 336 N ASP A 21 -17.222 6.470 -12.234 1.00 0.00 N ATOM 337 CA ASP A 21 -18.146 5.350 -12.318 1.00 0.00 C ATOM 338 C ASP A 21 -19.254 5.485 -11.282 1.00 0.00 C ATOM 339 O ASP A 21 -20.331 4.909 -11.434 1.00 0.00 O ATOM 340 CB ASP A 21 -17.406 4.024 -12.122 1.00 0.00 C ATOM 341 CG ASP A 21 -16.404 3.754 -13.224 1.00 0.00 C ATOM 342 OD1 ASP A 21 -16.835 3.446 -14.357 1.00 0.00 O ATOM 343 OD2 ASP A 21 -15.186 3.854 -12.969 1.00 0.00 O ATOM 0 H ASP A 21 -16.302 6.227 -11.867 1.00 0.00 H new ATOM 0 HA ASP A 21 -18.595 5.358 -13.311 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -16.891 4.037 -11.161 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -18.129 3.209 -12.085 1.00 0.00 H new ATOM 348 N ARG A 22 -18.986 6.248 -10.230 1.00 0.00 N ATOM 349 CA ARG A 22 -19.977 6.491 -9.192 1.00 0.00 C ATOM 350 C ARG A 22 -20.789 7.731 -9.545 1.00 0.00 C ATOM 351 O ARG A 22 -22.019 7.697 -9.568 1.00 0.00 O ATOM 352 CB ARG A 22 -19.298 6.657 -7.829 1.00 0.00 C ATOM 353 CG ARG A 22 -20.270 6.796 -6.665 1.00 0.00 C ATOM 354 CD ARG A 22 -19.537 6.858 -5.334 1.00 0.00 C ATOM 355 NE ARG A 22 -20.454 6.994 -4.204 1.00 0.00 N ATOM 356 CZ ARG A 22 -20.082 6.953 -2.924 1.00 0.00 C ATOM 357 NH1 ARG A 22 -18.810 6.744 -2.595 1.00 0.00 N ATOM 358 NH2 ARG A 22 -20.991 7.108 -1.971 1.00 0.00 N ATOM 0 H ARG A 22 -18.090 6.709 -10.074 1.00 0.00 H new ATOM 0 HA ARG A 22 -20.648 5.634 -9.130 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -18.653 5.797 -7.649 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -18.656 7.537 -7.859 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -20.869 7.698 -6.795 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -20.960 5.953 -6.663 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -18.939 5.955 -5.208 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -18.845 7.700 -5.341 1.00 0.00 H new ATOM 0 HE ARG A 22 -21.444 7.129 -4.408 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -18.109 6.613 -3.325 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -18.535 6.714 -1.613 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -21.969 7.258 -2.219 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -20.712 7.078 -0.990 1.00 0.00 H new ATOM 372 N ARG A 23 -20.093 8.817 -9.845 1.00 0.00 N ATOM 373 CA ARG A 23 -20.744 10.045 -10.273 1.00 0.00 C ATOM 374 C ARG A 23 -20.186 10.461 -11.627 1.00 0.00 C ATOM 375 O ARG A 23 -19.017 10.823 -11.741 1.00 0.00 O ATOM 376 CB ARG A 23 -20.536 11.149 -9.237 1.00 0.00 C ATOM 377 CG ARG A 23 -21.519 12.300 -9.368 1.00 0.00 C ATOM 378 CD ARG A 23 -21.381 13.272 -8.212 1.00 0.00 C ATOM 379 NE ARG A 23 -22.512 14.193 -8.128 1.00 0.00 N ATOM 380 CZ ARG A 23 -22.946 14.729 -6.989 1.00 0.00 C ATOM 381 NH1 ARG A 23 -22.374 14.406 -5.835 1.00 0.00 N ATOM 382 NH2 ARG A 23 -23.969 15.572 -6.996 1.00 0.00 N ATOM 0 H ARG A 23 -19.076 8.873 -9.800 1.00 0.00 H new ATOM 0 HA ARG A 23 -21.816 9.874 -10.367 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -20.623 10.720 -8.239 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -19.521 11.536 -9.330 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -21.348 12.823 -10.309 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -22.537 11.911 -9.400 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -21.298 12.715 -7.279 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -20.459 13.841 -8.326 1.00 0.00 H new ATOM 0 HE ARG A 23 -22.997 14.439 -8.991 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -21.598 13.744 -5.818 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -22.711 14.820 -4.966 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -24.426 15.812 -7.876 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -24.299 15.981 -6.122 1.00 0.00 H new ATOM 396 N SER A 24 -21.024 10.392 -12.648 1.00 0.00 N ATOM 397 CA SER A 24 -20.569 10.553 -14.020 1.00 0.00 C ATOM 398 C SER A 24 -20.773 11.980 -14.530 1.00 0.00 C ATOM 399 O SER A 24 -20.086 12.419 -15.456 1.00 0.00 O ATOM 400 CB SER A 24 -21.310 9.561 -14.913 1.00 0.00 C ATOM 401 OG SER A 24 -21.207 8.241 -14.396 1.00 0.00 O ATOM 0 H SER A 24 -22.026 10.225 -12.553 1.00 0.00 H new ATOM 0 HA SER A 24 -19.498 10.354 -14.049 1.00 0.00 H new ATOM 0 HB2 SER A 24 -22.359 9.846 -14.988 1.00 0.00 H new ATOM 0 HB3 SER A 24 -20.898 9.594 -15.921 1.00 0.00 H new ATOM 0 HG SER A 24 -20.351 8.138 -13.930 1.00 0.00 H new ATOM 407 N ARG A 25 -21.714 12.701 -13.933 1.00 0.00 N ATOM 408 CA ARG A 25 -21.976 14.071 -14.350 1.00 0.00 C ATOM 409 C ARG A 25 -20.986 15.021 -13.687 1.00 0.00 C ATOM 410 O ARG A 25 -21.017 15.225 -12.475 1.00 0.00 O ATOM 411 CB ARG A 25 -23.413 14.487 -14.023 1.00 0.00 C ATOM 412 CG ARG A 25 -23.741 15.897 -14.490 1.00 0.00 C ATOM 413 CD ARG A 25 -25.180 16.283 -14.190 1.00 0.00 C ATOM 414 NE ARG A 25 -26.144 15.465 -14.925 1.00 0.00 N ATOM 415 CZ ARG A 25 -26.897 15.920 -15.925 1.00 0.00 C ATOM 416 NH1 ARG A 25 -26.735 17.159 -16.378 1.00 0.00 N ATOM 417 NH2 ARG A 25 -27.796 15.126 -16.486 1.00 0.00 N ATOM 0 H ARG A 25 -22.301 12.365 -13.169 1.00 0.00 H new ATOM 0 HA ARG A 25 -21.850 14.124 -15.431 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -24.104 13.785 -14.489 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -23.569 14.421 -12.946 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -23.069 16.604 -14.004 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -23.563 15.973 -15.563 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -25.364 16.183 -13.120 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -25.332 17.332 -14.443 1.00 0.00 H new ATOM 0 HE ARG A 25 -26.246 14.487 -14.655 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -26.031 17.767 -15.960 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -27.315 17.502 -17.144 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -27.910 14.169 -16.152 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -28.374 15.471 -17.252 1.00 0.00 H new ATOM 431 N GLN A 26 -20.112 15.604 -14.493 1.00 0.00 N ATOM 432 CA GLN A 26 -19.074 16.490 -13.988 1.00 0.00 C ATOM 433 C GLN A 26 -19.572 17.929 -13.972 1.00 0.00 C ATOM 434 O GLN A 26 -18.846 18.852 -13.599 1.00 0.00 O ATOM 435 CB GLN A 26 -17.819 16.376 -14.857 1.00 0.00 C ATOM 436 CG GLN A 26 -17.336 14.945 -15.039 1.00 0.00 C ATOM 437 CD GLN A 26 -16.114 14.850 -15.927 1.00 0.00 C ATOM 438 OE1 GLN A 26 -15.905 15.682 -16.812 1.00 0.00 O ATOM 439 NE2 GLN A 26 -15.304 13.827 -15.707 1.00 0.00 N ATOM 0 H GLN A 26 -20.101 15.479 -15.505 1.00 0.00 H new ATOM 0 HA GLN A 26 -18.825 16.195 -12.969 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -18.024 16.809 -15.836 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -17.020 16.966 -14.408 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -17.105 14.517 -14.064 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -18.139 14.346 -15.468 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -15.514 13.161 -14.964 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.470 13.705 -16.281 1.00 0.00 H new ATOM 448 N GLN A 27 -20.821 18.108 -14.376 1.00 0.00 N ATOM 449 CA GLN A 27 -21.441 19.426 -14.422 1.00 0.00 C ATOM 450 C GLN A 27 -22.110 19.760 -13.091 1.00 0.00 C ATOM 451 O GLN A 27 -22.867 20.726 -12.988 1.00 0.00 O ATOM 452 CB GLN A 27 -22.468 19.483 -15.552 1.00 0.00 C ATOM 453 CG GLN A 27 -21.864 19.273 -16.930 1.00 0.00 C ATOM 454 CD GLN A 27 -22.909 19.237 -18.022 1.00 0.00 C ATOM 455 OE1 GLN A 27 -24.046 18.813 -17.800 1.00 0.00 O ATOM 456 NE2 GLN A 27 -22.538 19.683 -19.210 1.00 0.00 N ATOM 0 H GLN A 27 -21.431 17.349 -14.680 1.00 0.00 H new ATOM 0 HA GLN A 27 -20.661 20.164 -14.609 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -23.230 18.723 -15.378 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -22.970 20.450 -15.528 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -21.154 20.074 -17.138 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -21.302 18.339 -16.938 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -21.588 20.025 -19.352 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -23.202 19.685 -19.984 1.00 0.00 H new ATOM 465 N GLU A 28 -21.836 18.953 -12.079 1.00 0.00 N ATOM 466 CA GLU A 28 -22.376 19.193 -10.751 1.00 0.00 C ATOM 467 C GLU A 28 -21.342 19.891 -9.881 1.00 0.00 C ATOM 468 O GLU A 28 -20.139 19.777 -10.125 1.00 0.00 O ATOM 469 CB GLU A 28 -22.811 17.881 -10.101 1.00 0.00 C ATOM 470 CG GLU A 28 -23.870 17.136 -10.892 1.00 0.00 C ATOM 471 CD GLU A 28 -24.446 15.968 -10.128 1.00 0.00 C ATOM 472 OE1 GLU A 28 -25.352 16.190 -9.299 1.00 0.00 O ATOM 473 OE2 GLU A 28 -23.991 14.828 -10.336 1.00 0.00 O ATOM 0 H GLU A 28 -21.243 18.126 -12.152 1.00 0.00 H new ATOM 0 HA GLU A 28 -23.250 19.837 -10.847 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -21.939 17.238 -9.980 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -23.194 18.089 -9.102 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -24.673 17.824 -11.157 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -23.437 16.777 -11.826 1.00 0.00 H new ATOM 480 N VAL A 29 -21.812 20.611 -8.875 1.00 0.00 N ATOM 481 CA VAL A 29 -20.926 21.336 -7.979 1.00 0.00 C ATOM 482 C VAL A 29 -20.185 20.361 -7.076 1.00 0.00 C ATOM 483 O VAL A 29 -18.956 20.365 -7.022 1.00 0.00 O ATOM 484 CB VAL A 29 -21.701 22.352 -7.112 1.00 0.00 C ATOM 485 CG1 VAL A 29 -20.748 23.172 -6.254 1.00 0.00 C ATOM 486 CG2 VAL A 29 -22.555 23.260 -7.986 1.00 0.00 C ATOM 0 H VAL A 29 -22.804 20.709 -8.658 1.00 0.00 H new ATOM 0 HA VAL A 29 -20.213 21.886 -8.594 1.00 0.00 H new ATOM 0 HB VAL A 29 -22.361 21.796 -6.446 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -21.318 23.880 -5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -20.187 22.508 -5.597 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -20.056 23.716 -6.897 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -23.093 23.969 -7.357 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -21.915 23.804 -8.680 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -23.269 22.658 -8.547 1.00 0.00 H new ATOM 496 N SER A 30 -20.957 19.520 -6.396 1.00 0.00 N ATOM 497 CA SER A 30 -20.423 18.501 -5.496 1.00 0.00 C ATOM 498 C SER A 30 -19.583 19.120 -4.374 1.00 0.00 C ATOM 499 O SER A 30 -18.371 19.287 -4.506 1.00 0.00 O ATOM 500 CB SER A 30 -19.599 17.474 -6.278 1.00 0.00 C ATOM 501 OG SER A 30 -20.362 16.910 -7.332 1.00 0.00 O ATOM 0 H SER A 30 -21.975 19.525 -6.453 1.00 0.00 H new ATOM 0 HA SER A 30 -21.270 17.995 -5.033 1.00 0.00 H new ATOM 0 HB2 SER A 30 -18.707 17.951 -6.684 1.00 0.00 H new ATOM 0 HB3 SER A 30 -19.261 16.685 -5.606 1.00 0.00 H new ATOM 0 HG SER A 30 -19.816 16.258 -7.819 1.00 0.00 H new ATOM 507 N PRO A 31 -20.222 19.462 -3.244 1.00 0.00 N ATOM 508 CA PRO A 31 -19.539 20.068 -2.093 1.00 0.00 C ATOM 509 C PRO A 31 -18.744 19.045 -1.275 1.00 0.00 C ATOM 510 O PRO A 31 -18.586 19.189 -0.063 1.00 0.00 O ATOM 511 CB PRO A 31 -20.696 20.631 -1.269 1.00 0.00 C ATOM 512 CG PRO A 31 -21.847 19.737 -1.574 1.00 0.00 C ATOM 513 CD PRO A 31 -21.668 19.292 -3.002 1.00 0.00 C ATOM 0 HA PRO A 31 -18.803 20.813 -2.396 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -20.463 20.627 -0.204 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -20.913 21.663 -1.544 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -21.864 18.881 -0.899 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -22.793 20.263 -1.446 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -21.978 18.256 -3.140 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -22.262 19.897 -3.687 1.00 0.00 H new ATOM 521 N ALA A 32 -18.228 18.030 -1.954 1.00 0.00 N ATOM 522 CA ALA A 32 -17.472 16.967 -1.318 1.00 0.00 C ATOM 523 C ALA A 32 -16.553 16.312 -2.336 1.00 0.00 C ATOM 524 O ALA A 32 -16.961 15.415 -3.072 1.00 0.00 O ATOM 525 CB ALA A 32 -18.406 15.937 -0.695 1.00 0.00 C ATOM 0 H ALA A 32 -18.324 17.923 -2.964 1.00 0.00 H new ATOM 0 HA ALA A 32 -16.867 17.395 -0.519 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -17.817 15.150 -0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -19.032 16.420 0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -19.038 15.503 -1.470 1.00 0.00 H new ATOM 531 N GLY A 33 -15.320 16.787 -2.393 1.00 0.00 N ATOM 532 CA GLY A 33 -14.375 16.288 -3.375 1.00 0.00 C ATOM 533 C GLY A 33 -13.565 15.112 -2.866 1.00 0.00 C ATOM 534 O GLY A 33 -12.484 14.829 -3.380 1.00 0.00 O ATOM 0 H GLY A 33 -14.953 17.512 -1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.915 15.990 -4.273 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.698 17.092 -3.663 1.00 0.00 H new ATOM 538 N THR A 34 -14.085 14.425 -1.863 1.00 0.00 N ATOM 539 CA THR A 34 -13.399 13.280 -1.291 1.00 0.00 C ATOM 540 C THR A 34 -14.392 12.154 -1.033 1.00 0.00 C ATOM 541 O THR A 34 -15.609 12.352 -1.096 1.00 0.00 O ATOM 542 CB THR A 34 -12.674 13.648 0.027 1.00 0.00 C ATOM 543 OG1 THR A 34 -11.772 12.599 0.411 1.00 0.00 O ATOM 544 CG2 THR A 34 -13.674 13.882 1.152 1.00 0.00 C ATOM 0 H THR A 34 -14.982 14.641 -1.428 1.00 0.00 H new ATOM 0 HA THR A 34 -12.647 12.951 -2.009 1.00 0.00 H new ATOM 0 HB THR A 34 -12.114 14.567 -0.148 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.918 12.715 -0.055 1.00 0.00 H new ATOM 0 HG21 THR A 34 -13.139 14.139 2.066 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.342 14.699 0.881 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.257 12.976 1.315 1.00 0.00 H new ATOM 552 N SER A 35 -13.872 10.976 -0.749 1.00 0.00 N ATOM 553 CA SER A 35 -14.695 9.822 -0.455 1.00 0.00 C ATOM 554 C SER A 35 -13.987 8.949 0.570 1.00 0.00 C ATOM 555 O SER A 35 -12.815 9.170 0.867 1.00 0.00 O ATOM 556 CB SER A 35 -14.972 9.029 -1.736 1.00 0.00 C ATOM 557 OG SER A 35 -15.569 9.853 -2.725 1.00 0.00 O ATOM 0 H SER A 35 -12.869 10.793 -0.716 1.00 0.00 H new ATOM 0 HA SER A 35 -15.650 10.152 -0.046 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.040 8.612 -2.119 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.629 8.188 -1.513 1.00 0.00 H new ATOM 0 HG SER A 35 -15.735 9.325 -3.534 1.00 0.00 H new ATOM 563 N MET A 36 -14.689 7.960 1.104 1.00 0.00 N ATOM 564 CA MET A 36 -14.109 7.062 2.101 1.00 0.00 C ATOM 565 C MET A 36 -13.201 6.021 1.451 1.00 0.00 C ATOM 566 O MET A 36 -12.672 5.137 2.125 1.00 0.00 O ATOM 567 CB MET A 36 -15.205 6.366 2.912 1.00 0.00 C ATOM 568 CG MET A 36 -15.994 7.309 3.806 1.00 0.00 C ATOM 569 SD MET A 36 -17.192 6.446 4.841 1.00 0.00 S ATOM 570 CE MET A 36 -16.113 5.387 5.802 1.00 0.00 C ATOM 0 H MET A 36 -15.660 7.756 0.866 1.00 0.00 H new ATOM 0 HA MET A 36 -13.505 7.670 2.774 1.00 0.00 H new ATOM 0 HB2 MET A 36 -15.892 5.869 2.227 1.00 0.00 H new ATOM 0 HB3 MET A 36 -14.752 5.589 3.528 1.00 0.00 H new ATOM 0 HG2 MET A 36 -15.304 7.864 4.442 1.00 0.00 H new ATOM 0 HG3 MET A 36 -16.514 8.040 3.187 1.00 0.00 H new ATOM 0 HE1 MET A 36 -16.597 5.135 6.746 1.00 0.00 H new ATOM 0 HE2 MET A 36 -15.909 4.473 5.244 1.00 0.00 H new ATOM 0 HE3 MET A 36 -15.176 5.907 6.002 1.00 0.00 H new ATOM 580 N ARG A 37 -13.025 6.128 0.142 1.00 0.00 N ATOM 581 CA ARG A 37 -12.119 5.249 -0.575 1.00 0.00 C ATOM 582 C ARG A 37 -10.743 5.898 -0.650 1.00 0.00 C ATOM 583 O ARG A 37 -10.482 6.723 -1.527 1.00 0.00 O ATOM 584 CB ARG A 37 -12.664 4.944 -1.982 1.00 0.00 C ATOM 585 CG ARG A 37 -11.942 3.812 -2.707 1.00 0.00 C ATOM 586 CD ARG A 37 -10.712 4.292 -3.468 1.00 0.00 C ATOM 587 NE ARG A 37 -11.064 5.149 -4.603 1.00 0.00 N ATOM 588 CZ ARG A 37 -10.872 4.807 -5.881 1.00 0.00 C ATOM 589 NH1 ARG A 37 -10.298 3.652 -6.184 1.00 0.00 N ATOM 590 NH2 ARG A 37 -11.227 5.626 -6.862 1.00 0.00 N ATOM 0 H ARG A 37 -13.499 6.816 -0.444 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.034 4.302 -0.042 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.721 4.691 -1.902 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.597 5.848 -2.588 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.643 3.054 -1.983 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.631 3.334 -3.403 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.058 4.840 -2.790 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.149 3.430 -3.826 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.480 6.060 -4.407 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.001 3.020 -5.441 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.153 3.395 -7.160 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.651 6.528 -6.645 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.075 5.354 -7.833 1.00 0.00 H new ATOM 604 N TYR A 38 -9.885 5.549 0.296 1.00 0.00 N ATOM 605 CA TYR A 38 -8.546 6.113 0.361 1.00 0.00 C ATOM 606 C TYR A 38 -7.524 5.094 -0.109 1.00 0.00 C ATOM 607 O TYR A 38 -7.470 3.980 0.405 1.00 0.00 O ATOM 608 CB TYR A 38 -8.218 6.557 1.790 1.00 0.00 C ATOM 609 CG TYR A 38 -9.173 7.593 2.342 1.00 0.00 C ATOM 610 CD1 TYR A 38 -9.054 8.930 1.992 1.00 0.00 C ATOM 611 CD2 TYR A 38 -10.200 7.228 3.205 1.00 0.00 C ATOM 612 CE1 TYR A 38 -9.927 9.878 2.488 1.00 0.00 C ATOM 613 CE2 TYR A 38 -11.080 8.170 3.701 1.00 0.00 C ATOM 614 CZ TYR A 38 -10.940 9.492 3.340 1.00 0.00 C ATOM 615 OH TYR A 38 -11.819 10.433 3.826 1.00 0.00 O ATOM 0 H TYR A 38 -10.094 4.875 1.032 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.508 6.984 -0.294 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.227 5.684 2.443 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.206 6.961 1.812 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.265 9.235 1.320 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -10.311 6.193 3.492 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.817 10.916 2.210 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -11.874 7.871 4.369 1.00 0.00 H new ATOM 0 HH TYR A 38 -12.473 9.998 4.412 1.00 0.00 H new ATOM 625 N GLU A 39 -6.731 5.471 -1.091 1.00 0.00 N ATOM 626 CA GLU A 39 -5.702 4.592 -1.610 1.00 0.00 C ATOM 627 C GLU A 39 -4.336 5.058 -1.131 1.00 0.00 C ATOM 628 O GLU A 39 -4.191 6.191 -0.674 1.00 0.00 O ATOM 629 CB GLU A 39 -5.747 4.574 -3.136 1.00 0.00 C ATOM 630 CG GLU A 39 -7.123 4.269 -3.698 1.00 0.00 C ATOM 631 CD GLU A 39 -7.117 4.133 -5.202 1.00 0.00 C ATOM 632 OE1 GLU A 39 -6.696 5.085 -5.887 1.00 0.00 O ATOM 633 OE2 GLU A 39 -7.528 3.068 -5.707 1.00 0.00 O ATOM 0 H GLU A 39 -6.779 6.382 -1.547 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.880 3.581 -1.244 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.416 5.542 -3.513 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.040 3.830 -3.504 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.496 3.346 -3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.813 5.062 -3.411 1.00 0.00 H new ATOM 640 N ALA A 40 -3.338 4.197 -1.237 1.00 0.00 N ATOM 641 CA ALA A 40 -1.995 4.540 -0.789 1.00 0.00 C ATOM 642 C ALA A 40 -0.985 4.375 -1.912 1.00 0.00 C ATOM 643 O ALA A 40 -1.101 3.462 -2.733 1.00 0.00 O ATOM 644 CB ALA A 40 -1.600 3.689 0.409 1.00 0.00 C ATOM 0 H ALA A 40 -3.429 3.259 -1.627 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.998 5.588 -0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.594 3.958 0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.301 3.863 1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.622 2.636 0.130 1.00 0.00 H new ATOM 650 N SER A 41 -0.005 5.262 -1.948 1.00 0.00 N ATOM 651 CA SER A 41 1.054 5.186 -2.939 1.00 0.00 C ATOM 652 C SER A 41 2.258 4.438 -2.367 1.00 0.00 C ATOM 653 O SER A 41 2.837 4.848 -1.357 1.00 0.00 O ATOM 654 CB SER A 41 1.463 6.600 -3.371 1.00 0.00 C ATOM 655 OG SER A 41 0.337 7.336 -3.825 1.00 0.00 O ATOM 0 H SER A 41 0.079 6.045 -1.300 1.00 0.00 H new ATOM 0 HA SER A 41 0.689 4.641 -3.810 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.929 7.120 -2.534 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.208 6.541 -4.164 1.00 0.00 H new ATOM 0 HG SER A 41 0.620 8.235 -4.094 1.00 0.00 H new ATOM 661 N PHE A 42 2.610 3.331 -3.008 1.00 0.00 N ATOM 662 CA PHE A 42 3.722 2.507 -2.562 1.00 0.00 C ATOM 663 C PHE A 42 4.945 2.743 -3.443 1.00 0.00 C ATOM 664 O PHE A 42 4.929 2.473 -4.643 1.00 0.00 O ATOM 665 CB PHE A 42 3.329 1.027 -2.579 1.00 0.00 C ATOM 666 CG PHE A 42 2.195 0.696 -1.649 1.00 0.00 C ATOM 667 CD1 PHE A 42 2.430 0.449 -0.307 1.00 0.00 C ATOM 668 CD2 PHE A 42 0.891 0.635 -2.118 1.00 0.00 C ATOM 669 CE1 PHE A 42 1.391 0.148 0.550 1.00 0.00 C ATOM 670 CE2 PHE A 42 -0.153 0.333 -1.263 1.00 0.00 C ATOM 671 CZ PHE A 42 0.098 0.091 0.073 1.00 0.00 C ATOM 0 H PHE A 42 2.138 2.983 -3.842 1.00 0.00 H new ATOM 0 HA PHE A 42 3.973 2.787 -1.539 1.00 0.00 H new ATOM 0 HB2 PHE A 42 3.050 0.745 -3.594 1.00 0.00 H new ATOM 0 HB3 PHE A 42 4.197 0.426 -2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.440 0.492 0.074 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.689 0.825 -3.162 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.590 -0.043 1.594 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.164 0.286 -1.640 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.716 -0.142 0.743 1.00 0.00 H new ATOM 681 N LYS A 43 5.999 3.247 -2.818 1.00 0.00 N ATOM 682 CA LYS A 43 7.222 3.616 -3.515 1.00 0.00 C ATOM 683 C LYS A 43 8.240 2.478 -3.458 1.00 0.00 C ATOM 684 O LYS A 43 8.662 2.070 -2.375 1.00 0.00 O ATOM 685 CB LYS A 43 7.803 4.877 -2.868 1.00 0.00 C ATOM 686 CG LYS A 43 9.046 5.424 -3.547 1.00 0.00 C ATOM 687 CD LYS A 43 9.602 6.610 -2.781 1.00 0.00 C ATOM 688 CE LYS A 43 10.814 7.210 -3.471 1.00 0.00 C ATOM 689 NZ LYS A 43 11.424 8.303 -2.671 1.00 0.00 N ATOM 0 H LYS A 43 6.030 3.412 -1.812 1.00 0.00 H new ATOM 0 HA LYS A 43 6.993 3.811 -4.563 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.037 5.652 -2.864 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.041 4.658 -1.827 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.803 4.642 -3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.806 5.724 -4.567 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.829 7.371 -2.678 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.876 6.296 -1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.556 6.430 -3.645 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.522 7.595 -4.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.248 8.685 -3.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.725 9.059 -2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.727 7.931 -1.748 1.00 0.00 H new ATOM 703 N PRO A 44 8.636 1.943 -4.621 1.00 0.00 N ATOM 704 CA PRO A 44 9.608 0.846 -4.706 1.00 0.00 C ATOM 705 C PRO A 44 11.003 1.262 -4.236 1.00 0.00 C ATOM 706 O PRO A 44 11.546 2.275 -4.684 1.00 0.00 O ATOM 707 CB PRO A 44 9.632 0.489 -6.200 1.00 0.00 C ATOM 708 CG PRO A 44 8.414 1.127 -6.780 1.00 0.00 C ATOM 709 CD PRO A 44 8.162 2.351 -5.951 1.00 0.00 C ATOM 0 HA PRO A 44 9.327 0.012 -4.063 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.537 0.863 -6.679 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.617 -0.591 -6.346 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.570 1.388 -7.827 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.562 0.448 -6.745 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.709 3.215 -6.328 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.106 2.622 -5.939 1.00 0.00 H new ATOM 717 N LEU A 45 11.579 0.466 -3.337 1.00 0.00 N ATOM 718 CA LEU A 45 12.896 0.758 -2.768 1.00 0.00 C ATOM 719 C LEU A 45 13.999 0.751 -3.824 1.00 0.00 C ATOM 720 O LEU A 45 14.975 1.495 -3.717 1.00 0.00 O ATOM 721 CB LEU A 45 13.235 -0.251 -1.669 1.00 0.00 C ATOM 722 CG LEU A 45 12.429 -0.101 -0.379 1.00 0.00 C ATOM 723 CD1 LEU A 45 12.778 -1.208 0.601 1.00 0.00 C ATOM 724 CD2 LEU A 45 12.689 1.260 0.246 1.00 0.00 C ATOM 0 H LEU A 45 11.153 -0.391 -2.985 1.00 0.00 H new ATOM 0 HA LEU A 45 12.844 1.762 -2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.081 -1.256 -2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.295 -0.161 -1.429 1.00 0.00 H new ATOM 0 HG LEU A 45 11.369 -0.179 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.194 -1.084 1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.551 -2.175 0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.840 -1.160 0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.109 1.355 1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.750 1.359 0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.394 2.043 -0.452 1.00 0.00 H new ATOM 736 N ASN A 46 13.843 -0.077 -4.848 1.00 0.00 N ATOM 737 CA ASN A 46 14.870 -0.203 -5.878 1.00 0.00 C ATOM 738 C ASN A 46 14.548 0.692 -7.061 1.00 0.00 C ATOM 739 O ASN A 46 15.090 0.529 -8.158 1.00 0.00 O ATOM 740 CB ASN A 46 15.007 -1.657 -6.337 1.00 0.00 C ATOM 741 CG ASN A 46 15.230 -2.614 -5.182 1.00 0.00 C ATOM 742 OD1 ASN A 46 14.281 -3.173 -4.634 1.00 0.00 O ATOM 743 ND2 ASN A 46 16.479 -2.801 -4.794 1.00 0.00 N ATOM 0 H ASN A 46 13.023 -0.668 -4.989 1.00 0.00 H new ATOM 0 HA ASN A 46 15.821 0.112 -5.448 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.107 -1.950 -6.878 1.00 0.00 H new ATOM 0 HB3 ASN A 46 15.839 -1.737 -7.036 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.683 -3.427 -4.015 1.00 0.00 H new ATOM 0 HD22 ASN A 46 17.240 -2.319 -5.274 1.00 0.00 H new ATOM 750 N GLY A 47 13.687 1.660 -6.816 1.00 0.00 N ATOM 751 CA GLY A 47 13.250 2.556 -7.864 1.00 0.00 C ATOM 752 C GLY A 47 12.066 2.002 -8.628 1.00 0.00 C ATOM 753 O GLY A 47 11.909 0.784 -8.746 1.00 0.00 O ATOM 0 H GLY A 47 13.277 1.845 -5.900 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.982 3.519 -7.429 1.00 0.00 H new ATOM 0 HA3 GLY A 47 14.074 2.736 -8.554 1.00 0.00 H new ATOM 757 N GLY A 48 11.227 2.891 -9.129 1.00 0.00 N ATOM 758 CA GLY A 48 10.072 2.477 -9.894 1.00 0.00 C ATOM 759 C GLY A 48 8.926 3.447 -9.736 1.00 0.00 C ATOM 760 O GLY A 48 9.053 4.448 -9.028 1.00 0.00 O ATOM 0 H GLY A 48 11.326 3.900 -9.019 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.341 2.399 -10.947 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.757 1.485 -9.571 1.00 0.00 H new ATOM 764 N LEU A 49 7.815 3.166 -10.395 1.00 0.00 N ATOM 765 CA LEU A 49 6.632 4.001 -10.278 1.00 0.00 C ATOM 766 C LEU A 49 5.836 3.622 -9.038 1.00 0.00 C ATOM 767 O LEU A 49 5.626 2.442 -8.757 1.00 0.00 O ATOM 768 CB LEU A 49 5.760 3.873 -11.529 1.00 0.00 C ATOM 769 CG LEU A 49 6.409 4.376 -12.818 1.00 0.00 C ATOM 770 CD1 LEU A 49 5.509 4.103 -14.013 1.00 0.00 C ATOM 771 CD2 LEU A 49 6.719 5.863 -12.712 1.00 0.00 C ATOM 0 H LEU A 49 7.707 2.365 -11.017 1.00 0.00 H new ATOM 0 HA LEU A 49 6.951 5.039 -10.183 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.489 2.825 -11.660 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.833 4.424 -11.367 1.00 0.00 H new ATOM 0 HG LEU A 49 7.345 3.837 -12.964 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.989 4.468 -14.921 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.336 3.030 -14.101 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.556 4.614 -13.875 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.181 6.205 -13.638 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.795 6.416 -12.541 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.403 6.034 -11.881 1.00 0.00 H new ATOM 783 N GLU A 50 5.407 4.629 -8.296 1.00 0.00 N ATOM 784 CA GLU A 50 4.652 4.412 -7.071 1.00 0.00 C ATOM 785 C GLU A 50 3.274 3.839 -7.380 1.00 0.00 C ATOM 786 O GLU A 50 2.442 4.494 -8.007 1.00 0.00 O ATOM 787 CB GLU A 50 4.518 5.722 -6.295 1.00 0.00 C ATOM 788 CG GLU A 50 5.855 6.328 -5.902 1.00 0.00 C ATOM 789 CD GLU A 50 5.712 7.677 -5.232 1.00 0.00 C ATOM 790 OE1 GLU A 50 5.522 8.680 -5.949 1.00 0.00 O ATOM 791 OE2 GLU A 50 5.808 7.747 -3.990 1.00 0.00 O ATOM 0 H GLU A 50 5.569 5.610 -8.521 1.00 0.00 H new ATOM 0 HA GLU A 50 5.193 3.692 -6.457 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.966 6.440 -6.901 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.929 5.544 -5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.374 5.646 -5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.477 6.433 -6.791 1.00 0.00 H new ATOM 798 N LYS A 51 3.044 2.608 -6.945 1.00 0.00 N ATOM 799 CA LYS A 51 1.779 1.936 -7.199 1.00 0.00 C ATOM 800 C LYS A 51 0.738 2.368 -6.174 1.00 0.00 C ATOM 801 O LYS A 51 0.986 2.332 -4.974 1.00 0.00 O ATOM 802 CB LYS A 51 1.951 0.415 -7.153 1.00 0.00 C ATOM 803 CG LYS A 51 2.774 -0.151 -8.301 1.00 0.00 C ATOM 804 CD LYS A 51 2.796 -1.673 -8.264 1.00 0.00 C ATOM 805 CE LYS A 51 3.441 -2.268 -9.509 1.00 0.00 C ATOM 806 NZ LYS A 51 4.899 -1.984 -9.586 1.00 0.00 N ATOM 0 H LYS A 51 3.717 2.055 -6.415 1.00 0.00 H new ATOM 0 HA LYS A 51 1.440 2.217 -8.196 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.425 0.142 -6.210 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.966 -0.052 -7.161 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.359 0.186 -9.251 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.793 0.232 -8.245 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.340 -2.006 -7.380 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.777 -2.048 -8.170 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.283 -3.347 -9.516 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.949 -1.868 -10.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.290 -2.410 -10.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.052 -0.955 -9.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.376 -2.388 -8.755 1.00 0.00 H new ATOM 820 N THR A 52 -0.422 2.782 -6.659 1.00 0.00 N ATOM 821 CA THR A 52 -1.490 3.236 -5.783 1.00 0.00 C ATOM 822 C THR A 52 -2.577 2.170 -5.658 1.00 0.00 C ATOM 823 O THR A 52 -3.373 1.965 -6.579 1.00 0.00 O ATOM 824 CB THR A 52 -2.097 4.552 -6.307 1.00 0.00 C ATOM 825 OG1 THR A 52 -1.049 5.505 -6.530 1.00 0.00 O ATOM 826 CG2 THR A 52 -3.104 5.130 -5.323 1.00 0.00 C ATOM 0 H THR A 52 -0.648 2.813 -7.653 1.00 0.00 H new ATOM 0 HA THR A 52 -1.064 3.415 -4.796 1.00 0.00 H new ATOM 0 HB THR A 52 -2.617 4.338 -7.241 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.434 6.342 -6.865 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.513 6.058 -5.724 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.912 4.415 -5.167 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.610 5.332 -4.373 1.00 0.00 H new ATOM 834 N PHE A 53 -2.593 1.478 -4.526 1.00 0.00 N ATOM 835 CA PHE A 53 -3.570 0.423 -4.289 1.00 0.00 C ATOM 836 C PHE A 53 -4.711 0.927 -3.417 1.00 0.00 C ATOM 837 O PHE A 53 -4.505 1.742 -2.516 1.00 0.00 O ATOM 838 CB PHE A 53 -2.913 -0.797 -3.638 1.00 0.00 C ATOM 839 CG PHE A 53 -2.035 -1.585 -4.569 1.00 0.00 C ATOM 840 CD1 PHE A 53 -2.592 -2.476 -5.474 1.00 0.00 C ATOM 841 CD2 PHE A 53 -0.658 -1.440 -4.540 1.00 0.00 C ATOM 842 CE1 PHE A 53 -1.791 -3.208 -6.330 1.00 0.00 C ATOM 843 CE2 PHE A 53 0.147 -2.169 -5.393 1.00 0.00 C ATOM 844 CZ PHE A 53 -0.419 -3.054 -6.289 1.00 0.00 C ATOM 0 H PHE A 53 -1.940 1.628 -3.757 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.975 0.124 -5.256 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.318 -0.466 -2.787 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.692 -1.452 -3.248 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.664 -2.599 -5.510 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.209 -0.749 -3.842 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.237 -3.899 -7.030 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.220 -2.047 -5.359 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.210 -3.625 -6.956 1.00 0.00 H new ATOM 854 N ARG A 54 -5.911 0.432 -3.694 1.00 0.00 N ATOM 855 CA ARG A 54 -7.109 0.861 -2.983 1.00 0.00 C ATOM 856 C ARG A 54 -7.176 0.282 -1.574 1.00 0.00 C ATOM 857 O ARG A 54 -6.913 -0.903 -1.362 1.00 0.00 O ATOM 858 CB ARG A 54 -8.383 0.517 -3.788 1.00 0.00 C ATOM 859 CG ARG A 54 -8.380 -0.843 -4.496 1.00 0.00 C ATOM 860 CD ARG A 54 -8.498 -2.015 -3.531 1.00 0.00 C ATOM 861 NE ARG A 54 -8.503 -3.305 -4.226 1.00 0.00 N ATOM 862 CZ ARG A 54 -9.100 -4.404 -3.758 1.00 0.00 C ATOM 863 NH1 ARG A 54 -9.699 -4.385 -2.573 1.00 0.00 N ATOM 864 NH2 ARG A 54 -9.090 -5.521 -4.474 1.00 0.00 N ATOM 0 H ARG A 54 -6.081 -0.272 -4.412 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.053 1.945 -2.881 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.237 0.551 -3.112 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.538 1.294 -4.536 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.206 -0.879 -5.206 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.460 -0.945 -5.072 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.668 -1.988 -2.825 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.414 -1.914 -2.949 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.021 -3.367 -5.123 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.704 -3.529 -2.018 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.154 -5.226 -2.218 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.626 -5.540 -5.382 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.546 -6.360 -4.116 1.00 0.00 H new ATOM 878 N LEU A 55 -7.513 1.127 -0.611 1.00 0.00 N ATOM 879 CA LEU A 55 -7.648 0.709 0.775 1.00 0.00 C ATOM 880 C LEU A 55 -8.948 1.243 1.363 1.00 0.00 C ATOM 881 O LEU A 55 -9.725 1.914 0.678 1.00 0.00 O ATOM 882 CB LEU A 55 -6.468 1.221 1.613 1.00 0.00 C ATOM 883 CG LEU A 55 -5.078 0.807 1.131 1.00 0.00 C ATOM 884 CD1 LEU A 55 -4.009 1.480 1.973 1.00 0.00 C ATOM 885 CD2 LEU A 55 -4.917 -0.703 1.184 1.00 0.00 C ATOM 0 H LEU A 55 -7.700 2.117 -0.768 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.657 -0.381 0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.512 2.310 1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.596 0.871 2.637 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.964 1.127 0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.023 1.177 1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.108 2.562 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.127 1.185 3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.920 -0.975 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.050 -1.047 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.665 -1.171 0.544 1.00 0.00 H new ATOM 897 N GLN A 56 -9.191 0.925 2.623 1.00 0.00 N ATOM 898 CA GLN A 56 -10.313 1.478 3.360 1.00 0.00 C ATOM 899 C GLN A 56 -9.812 2.259 4.567 1.00 0.00 C ATOM 900 O GLN A 56 -8.607 2.307 4.821 1.00 0.00 O ATOM 901 CB GLN A 56 -11.270 0.378 3.818 1.00 0.00 C ATOM 902 CG GLN A 56 -12.015 -0.308 2.687 1.00 0.00 C ATOM 903 CD GLN A 56 -13.123 -1.205 3.198 1.00 0.00 C ATOM 904 OE1 GLN A 56 -13.031 -1.765 4.292 1.00 0.00 O ATOM 905 NE2 GLN A 56 -14.184 -1.341 2.419 1.00 0.00 N ATOM 0 H GLN A 56 -8.617 0.277 3.163 1.00 0.00 H new ATOM 0 HA GLN A 56 -10.855 2.148 2.693 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.706 -0.371 4.374 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -11.996 0.807 4.509 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -12.437 0.445 2.021 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -11.314 -0.898 2.097 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -14.222 -0.860 1.520 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -14.964 -1.926 2.717 1.00 0.00 H new ATOM 914 N ALA A 57 -10.737 2.842 5.321 1.00 0.00 N ATOM 915 CA ALA A 57 -10.389 3.660 6.478 1.00 0.00 C ATOM 916 C ALA A 57 -9.644 2.847 7.534 1.00 0.00 C ATOM 917 O ALA A 57 -8.570 3.240 7.988 1.00 0.00 O ATOM 918 CB ALA A 57 -11.640 4.285 7.075 1.00 0.00 C ATOM 0 H ALA A 57 -11.740 2.763 5.151 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.722 4.453 6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.367 4.893 7.938 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.125 4.913 6.328 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.326 3.498 7.388 1.00 0.00 H new ATOM 924 N GLN A 58 -10.211 1.705 7.909 1.00 0.00 N ATOM 925 CA GLN A 58 -9.601 0.853 8.925 1.00 0.00 C ATOM 926 C GLN A 58 -8.314 0.218 8.413 1.00 0.00 C ATOM 927 O GLN A 58 -7.413 -0.093 9.191 1.00 0.00 O ATOM 928 CB GLN A 58 -10.582 -0.226 9.384 1.00 0.00 C ATOM 929 CG GLN A 58 -11.636 0.294 10.348 1.00 0.00 C ATOM 930 CD GLN A 58 -12.633 -0.770 10.758 1.00 0.00 C ATOM 931 OE1 GLN A 58 -12.972 -1.660 9.977 1.00 0.00 O ATOM 932 NE2 GLN A 58 -13.094 -0.700 11.995 1.00 0.00 N ATOM 0 H GLN A 58 -11.087 1.349 7.527 1.00 0.00 H new ATOM 0 HA GLN A 58 -9.350 1.482 9.779 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.076 -0.654 8.512 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -10.027 -1.033 9.863 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -11.145 0.688 11.238 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -12.168 1.124 9.884 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -12.789 0.053 12.611 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -13.755 -1.399 12.333 1.00 0.00 H new ATOM 941 N GLN A 59 -8.222 0.046 7.101 1.00 0.00 N ATOM 942 CA GLN A 59 -7.026 -0.521 6.499 1.00 0.00 C ATOM 943 C GLN A 59 -5.891 0.496 6.532 1.00 0.00 C ATOM 944 O GLN A 59 -4.766 0.168 6.901 1.00 0.00 O ATOM 945 CB GLN A 59 -7.293 -0.960 5.059 1.00 0.00 C ATOM 946 CG GLN A 59 -6.108 -1.652 4.402 1.00 0.00 C ATOM 947 CD GLN A 59 -5.680 -2.909 5.135 1.00 0.00 C ATOM 948 OE1 GLN A 59 -6.163 -4.001 4.850 1.00 0.00 O ATOM 949 NE2 GLN A 59 -4.768 -2.762 6.085 1.00 0.00 N ATOM 0 H GLN A 59 -8.957 0.290 6.438 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.738 -1.399 7.076 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.149 -1.635 5.047 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.567 -0.087 4.467 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.366 -1.907 3.374 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -5.268 -0.959 4.357 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -4.391 -1.837 6.292 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.443 -3.574 6.610 1.00 0.00 H new ATOM 958 N TYR A 60 -6.203 1.736 6.164 1.00 0.00 N ATOM 959 CA TYR A 60 -5.216 2.810 6.162 1.00 0.00 C ATOM 960 C TYR A 60 -4.783 3.129 7.591 1.00 0.00 C ATOM 961 O TYR A 60 -3.695 3.650 7.823 1.00 0.00 O ATOM 962 CB TYR A 60 -5.791 4.058 5.484 1.00 0.00 C ATOM 963 CG TYR A 60 -4.765 5.136 5.210 1.00 0.00 C ATOM 964 CD1 TYR A 60 -3.877 5.018 4.148 1.00 0.00 C ATOM 965 CD2 TYR A 60 -4.682 6.267 6.012 1.00 0.00 C ATOM 966 CE1 TYR A 60 -2.937 5.997 3.892 1.00 0.00 C ATOM 967 CE2 TYR A 60 -3.745 7.251 5.762 1.00 0.00 C ATOM 968 CZ TYR A 60 -2.875 7.111 4.702 1.00 0.00 C ATOM 969 OH TYR A 60 -1.942 8.090 4.449 1.00 0.00 O ATOM 0 H TYR A 60 -7.135 2.022 5.863 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.342 2.483 5.599 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.257 3.766 4.543 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.578 4.472 6.114 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -3.923 4.146 3.512 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.361 6.379 6.844 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.254 5.891 3.062 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.694 8.125 6.394 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.032 8.807 5.111 1.00 0.00 H new ATOM 979 N HIS A 61 -5.640 2.785 8.545 1.00 0.00 N ATOM 980 CA HIS A 61 -5.339 2.956 9.963 1.00 0.00 C ATOM 981 C HIS A 61 -4.181 2.042 10.381 1.00 0.00 C ATOM 982 O HIS A 61 -3.528 2.273 11.399 1.00 0.00 O ATOM 983 CB HIS A 61 -6.596 2.660 10.795 1.00 0.00 C ATOM 984 CG HIS A 61 -6.428 2.852 12.274 1.00 0.00 C ATOM 985 ND1 HIS A 61 -6.930 1.969 13.205 1.00 0.00 N ATOM 986 CD2 HIS A 61 -5.832 3.840 12.982 1.00 0.00 C ATOM 987 CE1 HIS A 61 -6.651 2.407 14.418 1.00 0.00 C ATOM 988 NE2 HIS A 61 -5.985 3.540 14.311 1.00 0.00 N ATOM 0 H HIS A 61 -6.558 2.382 8.360 1.00 0.00 H new ATOM 0 HA HIS A 61 -5.033 3.987 10.142 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.405 3.303 10.448 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.905 1.631 10.609 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.329 4.705 12.575 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.922 1.920 15.343 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -5.640 4.101 15.090 1.00 0.00 H new ATOM 997 N ALA A 62 -3.931 1.009 9.585 1.00 0.00 N ATOM 998 CA ALA A 62 -2.834 0.087 9.848 1.00 0.00 C ATOM 999 C ALA A 62 -1.653 0.372 8.921 1.00 0.00 C ATOM 1000 O ALA A 62 -0.615 -0.283 8.997 1.00 0.00 O ATOM 1001 CB ALA A 62 -3.304 -1.351 9.685 1.00 0.00 C ATOM 0 H ALA A 62 -4.475 0.789 8.751 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.502 0.232 10.876 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.475 -2.030 9.884 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.113 -1.551 10.387 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.661 -1.504 8.667 1.00 0.00 H new ATOM 1007 N LEU A 63 -1.820 1.362 8.056 1.00 0.00 N ATOM 1008 CA LEU A 63 -0.781 1.737 7.106 1.00 0.00 C ATOM 1009 C LEU A 63 0.156 2.771 7.718 1.00 0.00 C ATOM 1010 O LEU A 63 -0.215 3.931 7.899 1.00 0.00 O ATOM 1011 CB LEU A 63 -1.404 2.290 5.817 1.00 0.00 C ATOM 1012 CG LEU A 63 -1.505 1.303 4.647 1.00 0.00 C ATOM 1013 CD1 LEU A 63 -0.124 0.968 4.114 1.00 0.00 C ATOM 1014 CD2 LEU A 63 -2.231 0.032 5.064 1.00 0.00 C ATOM 0 H LEU A 63 -2.669 1.923 7.992 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.205 0.844 6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.405 2.655 6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.818 3.150 5.493 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.082 1.780 3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.214 0.267 3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.363 1.879 3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.473 0.517 4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.288 -0.650 4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.687 -0.447 5.878 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.238 0.281 5.398 1.00 0.00 H new ATOM 1026 N THR A 64 1.363 2.345 8.049 1.00 0.00 N ATOM 1027 CA THR A 64 2.342 3.244 8.631 1.00 0.00 C ATOM 1028 C THR A 64 3.115 3.976 7.535 1.00 0.00 C ATOM 1029 O THR A 64 4.023 3.419 6.916 1.00 0.00 O ATOM 1030 CB THR A 64 3.320 2.482 9.546 1.00 0.00 C ATOM 1031 OG1 THR A 64 2.583 1.626 10.431 1.00 0.00 O ATOM 1032 CG2 THR A 64 4.161 3.451 10.364 1.00 0.00 C ATOM 0 H THR A 64 1.687 1.386 7.925 1.00 0.00 H new ATOM 0 HA THR A 64 1.805 3.975 9.235 1.00 0.00 H new ATOM 0 HB THR A 64 3.984 1.885 8.921 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.206 1.141 11.011 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.844 2.891 11.002 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.734 4.091 9.693 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.508 4.066 10.983 1.00 0.00 H new ATOM 1040 N VAL A 65 2.723 5.220 7.285 1.00 0.00 N ATOM 1041 CA VAL A 65 3.357 6.046 6.266 1.00 0.00 C ATOM 1042 C VAL A 65 4.832 6.266 6.572 1.00 0.00 C ATOM 1043 O VAL A 65 5.211 6.515 7.717 1.00 0.00 O ATOM 1044 CB VAL A 65 2.634 7.402 6.130 1.00 0.00 C ATOM 1045 CG1 VAL A 65 3.408 8.368 5.245 1.00 0.00 C ATOM 1046 CG2 VAL A 65 1.244 7.179 5.573 1.00 0.00 C ATOM 0 H VAL A 65 1.961 5.682 7.781 1.00 0.00 H new ATOM 0 HA VAL A 65 3.281 5.513 5.318 1.00 0.00 H new ATOM 0 HB VAL A 65 2.566 7.852 7.120 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.866 9.311 5.174 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.393 8.547 5.676 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.520 7.939 4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.733 8.137 5.477 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.316 6.706 4.594 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.681 6.533 6.247 1.00 0.00 H new ATOM 1056 N GLY A 66 5.656 6.141 5.541 1.00 0.00 N ATOM 1057 CA GLY A 66 7.084 6.305 5.696 1.00 0.00 C ATOM 1058 C GLY A 66 7.775 5.008 6.063 1.00 0.00 C ATOM 1059 O GLY A 66 8.917 4.763 5.657 1.00 0.00 O ATOM 0 H GLY A 66 5.355 5.926 4.590 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.506 6.689 4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.280 7.050 6.467 1.00 0.00 H new ATOM 1063 N ASP A 67 7.081 4.155 6.801 1.00 0.00 N ATOM 1064 CA ASP A 67 7.706 2.942 7.307 1.00 0.00 C ATOM 1065 C ASP A 67 7.784 1.887 6.221 1.00 0.00 C ATOM 1066 O ASP A 67 6.805 1.197 5.927 1.00 0.00 O ATOM 1067 CB ASP A 67 6.978 2.387 8.530 1.00 0.00 C ATOM 1068 CG ASP A 67 7.797 1.322 9.240 1.00 0.00 C ATOM 1069 OD1 ASP A 67 8.944 1.621 9.644 1.00 0.00 O ATOM 1070 OD2 ASP A 67 7.302 0.192 9.416 1.00 0.00 O ATOM 0 H ASP A 67 6.102 4.276 7.060 1.00 0.00 H new ATOM 0 HA ASP A 67 8.716 3.209 7.618 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.760 3.200 9.223 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.021 1.965 8.223 1.00 0.00 H new ATOM 1075 N GLN A 68 8.952 1.824 5.597 1.00 0.00 N ATOM 1076 CA GLN A 68 9.274 0.789 4.622 1.00 0.00 C ATOM 1077 C GLN A 68 8.900 -0.587 5.163 1.00 0.00 C ATOM 1078 O GLN A 68 9.240 -0.927 6.300 1.00 0.00 O ATOM 1079 CB GLN A 68 10.770 0.821 4.316 1.00 0.00 C ATOM 1080 CG GLN A 68 11.281 2.190 3.902 1.00 0.00 C ATOM 1081 CD GLN A 68 12.793 2.247 3.808 1.00 0.00 C ATOM 1082 OE1 GLN A 68 13.450 1.241 3.535 1.00 0.00 O ATOM 1083 NE2 GLN A 68 13.354 3.424 4.031 1.00 0.00 N ATOM 0 H GLN A 68 9.707 2.492 5.753 1.00 0.00 H new ATOM 0 HA GLN A 68 8.706 0.979 3.711 1.00 0.00 H new ATOM 0 HB2 GLN A 68 11.319 0.490 5.197 1.00 0.00 H new ATOM 0 HB3 GLN A 68 10.984 0.107 3.520 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.851 2.457 2.937 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.938 2.934 4.621 1.00 0.00 H new ATOM 0 HE21 GLN A 68 12.773 4.232 4.254 1.00 0.00 H new ATOM 0 HE22 GLN A 68 14.368 3.524 3.980 1.00 0.00 H new ATOM 1092 N GLY A 69 8.210 -1.374 4.356 1.00 0.00 N ATOM 1093 CA GLY A 69 7.773 -2.674 4.807 1.00 0.00 C ATOM 1094 C GLY A 69 7.411 -3.591 3.667 1.00 0.00 C ATOM 1095 O GLY A 69 7.605 -3.246 2.501 1.00 0.00 O ATOM 0 H GLY A 69 7.946 -1.137 3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.563 -3.133 5.401 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.910 -2.556 5.462 1.00 0.00 H new ATOM 1099 N THR A 70 6.865 -4.748 3.998 1.00 0.00 N ATOM 1100 CA THR A 70 6.596 -5.769 2.999 1.00 0.00 C ATOM 1101 C THR A 70 5.186 -5.625 2.423 1.00 0.00 C ATOM 1102 O THR A 70 4.215 -5.452 3.160 1.00 0.00 O ATOM 1103 CB THR A 70 6.774 -7.181 3.594 1.00 0.00 C ATOM 1104 OG1 THR A 70 8.049 -7.276 4.244 1.00 0.00 O ATOM 1105 CG2 THR A 70 6.677 -8.249 2.513 1.00 0.00 C ATOM 0 H THR A 70 6.599 -5.004 4.949 1.00 0.00 H new ATOM 0 HA THR A 70 7.316 -5.631 2.192 1.00 0.00 H new ATOM 0 HB THR A 70 5.975 -7.347 4.317 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.157 -8.174 4.622 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.806 -9.234 2.962 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.699 -8.194 2.034 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.456 -8.085 1.768 1.00 0.00 H new ATOM 1113 N LEU A 71 5.087 -5.712 1.104 1.00 0.00 N ATOM 1114 CA LEU A 71 3.809 -5.611 0.419 1.00 0.00 C ATOM 1115 C LEU A 71 3.508 -6.913 -0.309 1.00 0.00 C ATOM 1116 O LEU A 71 4.295 -7.366 -1.138 1.00 0.00 O ATOM 1117 CB LEU A 71 3.835 -4.447 -0.578 1.00 0.00 C ATOM 1118 CG LEU A 71 2.600 -4.313 -1.476 1.00 0.00 C ATOM 1119 CD1 LEU A 71 1.354 -4.053 -0.646 1.00 0.00 C ATOM 1120 CD2 LEU A 71 2.802 -3.204 -2.498 1.00 0.00 C ATOM 0 H LEU A 71 5.884 -5.853 0.484 1.00 0.00 H new ATOM 0 HA LEU A 71 3.027 -5.425 1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.959 -3.518 -0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.714 -4.557 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 71 2.463 -5.254 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.490 -3.962 -1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.197 -4.882 0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.479 -3.129 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.915 -3.123 -3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.968 -2.259 -1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.668 -3.435 -3.119 1.00 0.00 H new ATOM 1132 N SER A 72 2.379 -7.517 0.027 1.00 0.00 N ATOM 1133 CA SER A 72 1.969 -8.770 -0.579 1.00 0.00 C ATOM 1134 C SER A 72 0.800 -8.544 -1.531 1.00 0.00 C ATOM 1135 O SER A 72 -0.308 -8.184 -1.111 1.00 0.00 O ATOM 1136 CB SER A 72 1.580 -9.769 0.508 1.00 0.00 C ATOM 1137 OG SER A 72 2.632 -9.930 1.447 1.00 0.00 O ATOM 0 H SER A 72 1.727 -7.154 0.722 1.00 0.00 H new ATOM 0 HA SER A 72 2.805 -9.174 -1.150 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.681 -9.425 1.019 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.341 -10.731 0.055 1.00 0.00 H new ATOM 0 HG SER A 72 2.308 -10.444 2.216 1.00 0.00 H new ATOM 1143 N TYR A 73 1.051 -8.735 -2.812 1.00 0.00 N ATOM 1144 CA TYR A 73 0.018 -8.597 -3.820 1.00 0.00 C ATOM 1145 C TYR A 73 0.205 -9.657 -4.891 1.00 0.00 C ATOM 1146 O TYR A 73 1.251 -10.297 -4.966 1.00 0.00 O ATOM 1147 CB TYR A 73 0.033 -7.187 -4.432 1.00 0.00 C ATOM 1148 CG TYR A 73 1.319 -6.818 -5.144 1.00 0.00 C ATOM 1149 CD1 TYR A 73 2.458 -6.465 -4.432 1.00 0.00 C ATOM 1150 CD2 TYR A 73 1.385 -6.803 -6.533 1.00 0.00 C ATOM 1151 CE1 TYR A 73 3.625 -6.112 -5.080 1.00 0.00 C ATOM 1152 CE2 TYR A 73 2.550 -6.454 -7.188 1.00 0.00 C ATOM 1153 CZ TYR A 73 3.666 -6.109 -6.458 1.00 0.00 C ATOM 1154 OH TYR A 73 4.829 -5.753 -7.106 1.00 0.00 O ATOM 0 H TYR A 73 1.968 -8.988 -3.181 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.955 -8.740 -3.350 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.794 -7.103 -5.138 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.149 -6.460 -3.640 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.430 -6.467 -3.352 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.511 -7.069 -7.109 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.501 -5.840 -4.510 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.586 -6.452 -8.267 1.00 0.00 H new ATOM 0 HH TYR A 73 4.692 -5.803 -8.075 1.00 0.00 H new ATOM 1164 N LYS A 74 -0.816 -9.864 -5.698 1.00 0.00 N ATOM 1165 CA LYS A 74 -0.743 -10.853 -6.757 1.00 0.00 C ATOM 1166 C LYS A 74 -1.304 -10.257 -8.041 1.00 0.00 C ATOM 1167 O LYS A 74 -2.522 -10.184 -8.230 1.00 0.00 O ATOM 1168 CB LYS A 74 -1.512 -12.119 -6.361 1.00 0.00 C ATOM 1169 CG LYS A 74 -1.212 -13.326 -7.237 1.00 0.00 C ATOM 1170 CD LYS A 74 -2.115 -14.500 -6.892 1.00 0.00 C ATOM 1171 CE LYS A 74 -1.762 -15.106 -5.543 1.00 0.00 C ATOM 1172 NZ LYS A 74 -0.502 -15.894 -5.598 1.00 0.00 N ATOM 0 H LYS A 74 -1.703 -9.364 -5.642 1.00 0.00 H new ATOM 0 HA LYS A 74 0.298 -11.133 -6.921 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.275 -12.366 -5.326 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.581 -11.910 -6.402 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.345 -13.059 -8.285 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.169 -13.618 -7.112 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.153 -14.169 -6.881 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.031 -15.263 -7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.660 -14.311 -4.804 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.577 -15.749 -5.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.645 -16.810 -5.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.235 -16.053 -6.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.256 -15.371 -5.115 1.00 0.00 H new ATOM 1186 N GLY A 75 -0.406 -9.797 -8.897 1.00 0.00 N ATOM 1187 CA GLY A 75 -0.819 -9.130 -10.113 1.00 0.00 C ATOM 1188 C GLY A 75 -1.282 -7.716 -9.834 1.00 0.00 C ATOM 1189 O GLY A 75 -0.495 -6.870 -9.415 1.00 0.00 O ATOM 0 H GLY A 75 0.603 -9.874 -8.771 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.011 -9.111 -10.820 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.625 -9.693 -10.583 1.00 0.00 H new ATOM 1193 N THR A 76 -2.559 -7.462 -10.054 1.00 0.00 N ATOM 1194 CA THR A 76 -3.135 -6.160 -9.770 1.00 0.00 C ATOM 1195 C THR A 76 -3.975 -6.197 -8.497 1.00 0.00 C ATOM 1196 O THR A 76 -4.540 -5.184 -8.082 1.00 0.00 O ATOM 1197 CB THR A 76 -4.002 -5.679 -10.945 1.00 0.00 C ATOM 1198 OG1 THR A 76 -4.770 -6.777 -11.457 1.00 0.00 O ATOM 1199 CG2 THR A 76 -3.140 -5.086 -12.050 1.00 0.00 C ATOM 0 H THR A 76 -3.219 -8.143 -10.430 1.00 0.00 H new ATOM 0 HA THR A 76 -2.311 -5.462 -9.626 1.00 0.00 H new ATOM 0 HB THR A 76 -4.675 -4.901 -10.585 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.323 -6.469 -12.205 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.777 -4.753 -12.869 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.580 -4.237 -11.658 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.445 -5.842 -12.415 1.00 0.00 H new ATOM 1207 N ARG A 77 -4.044 -7.366 -7.869 1.00 0.00 N ATOM 1208 CA ARG A 77 -4.854 -7.532 -6.672 1.00 0.00 C ATOM 1209 C ARG A 77 -4.032 -7.294 -5.412 1.00 0.00 C ATOM 1210 O ARG A 77 -3.059 -8.007 -5.151 1.00 0.00 O ATOM 1211 CB ARG A 77 -5.473 -8.930 -6.607 1.00 0.00 C ATOM 1212 CG ARG A 77 -6.366 -9.119 -5.391 1.00 0.00 C ATOM 1213 CD ARG A 77 -6.709 -10.577 -5.148 1.00 0.00 C ATOM 1214 NE ARG A 77 -7.553 -10.734 -3.965 1.00 0.00 N ATOM 1215 CZ ARG A 77 -7.227 -11.460 -2.895 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -6.100 -12.162 -2.874 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -8.043 -11.497 -1.850 1.00 0.00 N ATOM 0 H ARG A 77 -3.551 -8.207 -8.168 1.00 0.00 H new ATOM 0 HA ARG A 77 -5.651 -6.791 -6.726 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.055 -9.108 -7.511 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.677 -9.675 -6.588 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.867 -8.714 -4.511 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.286 -8.550 -5.527 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.222 -10.982 -6.020 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.792 -11.152 -5.022 1.00 0.00 H new ATOM 0 HE ARG A 77 -8.454 -10.255 -3.957 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.476 -12.149 -3.681 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.859 -12.715 -2.051 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.917 -10.971 -1.866 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.797 -12.051 -1.030 1.00 0.00 H new ATOM 1231 N PHE A 78 -4.431 -6.292 -4.644 1.00 0.00 N ATOM 1232 CA PHE A 78 -3.837 -6.040 -3.341 1.00 0.00 C ATOM 1233 C PHE A 78 -4.296 -7.109 -2.354 1.00 0.00 C ATOM 1234 O PHE A 78 -5.496 -7.316 -2.173 1.00 0.00 O ATOM 1235 CB PHE A 78 -4.238 -4.645 -2.844 1.00 0.00 C ATOM 1236 CG PHE A 78 -3.746 -4.318 -1.459 1.00 0.00 C ATOM 1237 CD1 PHE A 78 -2.470 -3.820 -1.263 1.00 0.00 C ATOM 1238 CD2 PHE A 78 -4.566 -4.504 -0.356 1.00 0.00 C ATOM 1239 CE1 PHE A 78 -2.019 -3.515 0.006 1.00 0.00 C ATOM 1240 CE2 PHE A 78 -4.120 -4.202 0.915 1.00 0.00 C ATOM 1241 CZ PHE A 78 -2.844 -3.707 1.097 1.00 0.00 C ATOM 0 H PHE A 78 -5.168 -5.637 -4.903 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.751 -6.079 -3.425 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.853 -3.899 -3.540 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.325 -4.565 -2.860 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.820 -3.668 -2.112 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.565 -4.890 -0.493 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.021 -3.126 0.145 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.768 -4.353 1.766 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.492 -3.470 2.090 1.00 0.00 H new ATOM 1251 N VAL A 79 -3.347 -7.801 -1.739 1.00 0.00 N ATOM 1252 CA VAL A 79 -3.680 -8.844 -0.781 1.00 0.00 C ATOM 1253 C VAL A 79 -3.503 -8.336 0.646 1.00 0.00 C ATOM 1254 O VAL A 79 -4.405 -8.467 1.476 1.00 0.00 O ATOM 1255 CB VAL A 79 -2.821 -10.108 -1.000 1.00 0.00 C ATOM 1256 CG1 VAL A 79 -3.202 -11.204 -0.014 1.00 0.00 C ATOM 1257 CG2 VAL A 79 -2.963 -10.602 -2.432 1.00 0.00 C ATOM 0 H VAL A 79 -2.347 -7.660 -1.885 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.725 -9.112 -0.938 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.778 -9.846 -0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.582 -12.083 -0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.046 -10.848 1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.251 -11.467 -0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.352 -11.494 -2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.007 -10.843 -2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.632 -9.824 -3.120 1.00 0.00 H new ATOM 1267 N GLY A 80 -2.345 -7.754 0.924 1.00 0.00 N ATOM 1268 CA GLY A 80 -2.094 -7.206 2.240 1.00 0.00 C ATOM 1269 C GLY A 80 -0.735 -6.548 2.341 1.00 0.00 C ATOM 1270 O GLY A 80 0.216 -6.966 1.681 1.00 0.00 O ATOM 0 H GLY A 80 -1.576 -7.652 0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.867 -6.476 2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.166 -8.002 2.982 1.00 0.00 H new ATOM 1274 N PHE A 81 -0.644 -5.513 3.157 1.00 0.00 N ATOM 1275 CA PHE A 81 0.617 -4.825 3.380 1.00 0.00 C ATOM 1276 C PHE A 81 0.982 -4.869 4.854 1.00 0.00 C ATOM 1277 O PHE A 81 0.180 -4.504 5.713 1.00 0.00 O ATOM 1278 CB PHE A 81 0.544 -3.372 2.900 1.00 0.00 C ATOM 1279 CG PHE A 81 1.807 -2.593 3.160 1.00 0.00 C ATOM 1280 CD1 PHE A 81 2.874 -2.661 2.282 1.00 0.00 C ATOM 1281 CD2 PHE A 81 1.925 -1.801 4.289 1.00 0.00 C ATOM 1282 CE1 PHE A 81 4.037 -1.956 2.524 1.00 0.00 C ATOM 1283 CE2 PHE A 81 3.084 -1.094 4.537 1.00 0.00 C ATOM 1284 CZ PHE A 81 4.142 -1.171 3.654 1.00 0.00 C ATOM 0 H PHE A 81 -1.432 -5.128 3.679 1.00 0.00 H new ATOM 0 HA PHE A 81 1.389 -5.335 2.804 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.332 -3.360 1.831 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.290 -2.875 3.396 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.797 -3.273 1.396 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.101 -1.736 4.984 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.862 -2.019 1.830 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.163 -0.480 5.422 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.050 -0.618 3.847 1.00 0.00 H new ATOM 1294 N VAL A 82 2.190 -5.323 5.140 1.00 0.00 N ATOM 1295 CA VAL A 82 2.682 -5.390 6.503 1.00 0.00 C ATOM 1296 C VAL A 82 4.106 -4.860 6.558 1.00 0.00 C ATOM 1297 O VAL A 82 5.044 -5.548 6.148 1.00 0.00 O ATOM 1298 CB VAL A 82 2.659 -6.834 7.061 1.00 0.00 C ATOM 1299 CG1 VAL A 82 3.190 -6.871 8.488 1.00 0.00 C ATOM 1300 CG2 VAL A 82 1.256 -7.423 7.003 1.00 0.00 C ATOM 0 H VAL A 82 2.853 -5.653 4.438 1.00 0.00 H new ATOM 0 HA VAL A 82 2.021 -4.780 7.119 1.00 0.00 H new ATOM 0 HB VAL A 82 3.310 -7.442 6.433 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.164 -7.895 8.859 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.217 -6.505 8.504 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.570 -6.239 9.124 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.271 -8.438 7.401 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.579 -6.809 7.597 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.913 -7.444 5.969 1.00 0.00 H new ATOM 1310 N SER A 83 4.261 -3.624 7.023 1.00 0.00 N ATOM 1311 CA SER A 83 5.578 -3.028 7.180 1.00 0.00 C ATOM 1312 C SER A 83 6.457 -3.931 8.033 1.00 0.00 C ATOM 1313 O SER A 83 7.399 -4.557 7.542 1.00 0.00 O ATOM 1314 CB SER A 83 5.460 -1.647 7.828 1.00 0.00 C ATOM 1315 OG SER A 83 4.571 -0.816 7.107 1.00 0.00 O ATOM 0 H SER A 83 3.488 -3.017 7.297 1.00 0.00 H new ATOM 0 HA SER A 83 6.033 -2.915 6.196 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.110 -1.753 8.855 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.443 -1.179 7.873 1.00 0.00 H new ATOM 0 HG SER A 83 4.476 -1.154 6.192 1.00 0.00 H new ATOM 1321 N ARG A 84 6.131 -3.994 9.309 1.00 0.00 N ATOM 1322 CA ARG A 84 6.801 -4.876 10.237 1.00 0.00 C ATOM 1323 C ARG A 84 5.943 -5.052 11.488 1.00 0.00 C ATOM 1324 O ARG A 84 6.415 -5.512 12.525 1.00 0.00 O ATOM 1325 CB ARG A 84 8.135 -4.255 10.600 1.00 0.00 C ATOM 1326 CG ARG A 84 9.176 -5.240 11.058 1.00 0.00 C ATOM 1327 CD ARG A 84 10.469 -4.514 11.320 1.00 0.00 C ATOM 1328 NE ARG A 84 10.930 -3.782 10.139 1.00 0.00 N ATOM 1329 CZ ARG A 84 11.909 -4.189 9.333 1.00 0.00 C ATOM 1330 NH1 ARG A 84 12.463 -5.386 9.502 1.00 0.00 N ATOM 1331 NH2 ARG A 84 12.304 -3.411 8.331 1.00 0.00 N ATOM 0 H ARG A 84 5.391 -3.432 9.730 1.00 0.00 H new ATOM 0 HA ARG A 84 6.958 -5.856 9.786 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.519 -3.716 9.734 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.977 -3.519 11.389 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.840 -5.746 11.963 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.325 -6.008 10.299 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.334 -3.819 12.149 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.232 -5.230 11.625 1.00 0.00 H new ATOM 0 HE ARG A 84 10.469 -2.899 9.918 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.138 -5.997 10.252 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.212 -5.693 8.882 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.858 -2.506 8.182 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.053 -3.719 7.711 1.00 0.00 H new ATOM 1345 N THR A 85 4.672 -4.697 11.371 1.00 0.00 N ATOM 1346 CA THR A 85 3.777 -4.654 12.509 1.00 0.00 C ATOM 1347 C THR A 85 2.985 -5.953 12.664 1.00 0.00 C ATOM 1348 O THR A 85 2.415 -6.464 11.700 1.00 0.00 O ATOM 1349 CB THR A 85 2.810 -3.469 12.364 1.00 0.00 C ATOM 1350 OG1 THR A 85 2.449 -3.307 10.984 1.00 0.00 O ATOM 1351 CG2 THR A 85 3.442 -2.187 12.884 1.00 0.00 C ATOM 0 H THR A 85 4.237 -4.432 10.487 1.00 0.00 H new ATOM 0 HA THR A 85 4.386 -4.530 13.405 1.00 0.00 H new ATOM 0 HB THR A 85 1.918 -3.676 12.954 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.831 -2.552 10.894 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.738 -1.362 12.771 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.694 -2.307 13.938 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.348 -1.972 12.317 1.00 0.00 H new ATOM 1359 N PRO A 86 2.961 -6.512 13.885 1.00 0.00 N ATOM 1360 CA PRO A 86 2.189 -7.717 14.193 1.00 0.00 C ATOM 1361 C PRO A 86 0.685 -7.452 14.181 1.00 0.00 C ATOM 1362 O PRO A 86 0.191 -6.567 14.885 1.00 0.00 O ATOM 1363 CB PRO A 86 2.648 -8.103 15.608 1.00 0.00 C ATOM 1364 CG PRO A 86 3.854 -7.266 15.885 1.00 0.00 C ATOM 1365 CD PRO A 86 3.696 -6.026 15.059 1.00 0.00 C ATOM 0 HA PRO A 86 2.356 -8.501 13.454 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.863 -7.912 16.340 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.887 -9.165 15.666 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.924 -7.022 16.945 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.767 -7.798 15.619 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.143 -5.252 15.592 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.660 -5.597 14.784 1.00 0.00 H new ATOM 1373 N ASP A 87 -0.040 -8.234 13.391 1.00 0.00 N ATOM 1374 CA ASP A 87 -1.487 -8.067 13.252 1.00 0.00 C ATOM 1375 C ASP A 87 -2.231 -8.845 14.332 1.00 0.00 C ATOM 1376 O ASP A 87 -3.462 -8.850 14.380 1.00 0.00 O ATOM 1377 CB ASP A 87 -1.949 -8.547 11.873 1.00 0.00 C ATOM 1378 CG ASP A 87 -1.798 -10.046 11.699 1.00 0.00 C ATOM 1379 OD1 ASP A 87 -0.675 -10.504 11.408 1.00 0.00 O ATOM 1380 OD2 ASP A 87 -2.802 -10.771 11.859 1.00 0.00 O ATOM 0 H ASP A 87 0.349 -8.994 12.833 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.712 -7.006 13.362 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.993 -8.271 11.727 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.373 -8.035 11.102 1.00 0.00 H new ATOM 1385 N ASN A 88 -1.473 -9.485 15.210 1.00 0.00 N ATOM 1386 CA ASN A 88 -2.048 -10.332 16.250 1.00 0.00 C ATOM 1387 C ASN A 88 -2.665 -9.491 17.363 1.00 0.00 C ATOM 1388 O ASN A 88 -3.393 -10.005 18.211 1.00 0.00 O ATOM 1389 CB ASN A 88 -0.979 -11.257 16.838 1.00 0.00 C ATOM 1390 CG ASN A 88 -0.308 -12.135 15.795 1.00 0.00 C ATOM 1391 OD1 ASN A 88 0.873 -12.454 15.913 1.00 0.00 O ATOM 1392 ND2 ASN A 88 -1.046 -12.536 14.773 1.00 0.00 N ATOM 0 H ASN A 88 -0.454 -9.435 15.225 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.833 -10.934 15.792 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.221 -10.654 17.338 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -1.435 -11.891 17.599 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.638 -13.129 14.051 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.023 -12.252 14.707 1.00 0.00 H new ATOM 1399 N GLU A 89 -2.377 -8.195 17.348 1.00 0.00 N ATOM 1400 CA GLU A 89 -2.878 -7.285 18.372 1.00 0.00 C ATOM 1401 C GLU A 89 -4.205 -6.658 17.951 1.00 0.00 C ATOM 1402 O GLU A 89 -4.693 -5.725 18.589 1.00 0.00 O ATOM 1403 CB GLU A 89 -1.851 -6.191 18.658 1.00 0.00 C ATOM 1404 CG GLU A 89 -0.556 -6.719 19.249 1.00 0.00 C ATOM 1405 CD GLU A 89 0.423 -5.617 19.588 1.00 0.00 C ATOM 1406 OE1 GLU A 89 0.241 -4.959 20.635 1.00 0.00 O ATOM 1407 OE2 GLU A 89 1.383 -5.414 18.817 1.00 0.00 O ATOM 0 H GLU A 89 -1.798 -7.749 16.636 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.047 -7.863 19.281 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.629 -5.660 17.732 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.286 -5.465 19.345 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.779 -7.291 20.150 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.092 -7.406 18.542 1.00 0.00 H new ATOM 1414 N LEU A 90 -4.780 -7.172 16.874 1.00 0.00 N ATOM 1415 CA LEU A 90 -6.066 -6.687 16.398 1.00 0.00 C ATOM 1416 C LEU A 90 -7.194 -7.528 16.981 1.00 0.00 C ATOM 1417 O LEU A 90 -7.141 -8.759 16.949 1.00 0.00 O ATOM 1418 CB LEU A 90 -6.120 -6.717 14.868 1.00 0.00 C ATOM 1419 CG LEU A 90 -5.075 -5.846 14.164 1.00 0.00 C ATOM 1420 CD1 LEU A 90 -5.197 -5.983 12.655 1.00 0.00 C ATOM 1421 CD2 LEU A 90 -5.223 -4.390 14.583 1.00 0.00 C ATOM 0 H LEU A 90 -4.377 -7.923 16.314 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.189 -5.655 16.728 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.995 -7.748 14.536 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.112 -6.397 14.549 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.084 -6.189 14.461 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.447 -5.357 12.171 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.040 -7.023 12.370 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.191 -5.667 12.340 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.472 -3.786 14.073 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.218 -4.034 14.316 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.085 -4.306 15.661 1.00 0.00 H new ATOM 1433 N GLU A 91 -8.207 -6.862 17.518 1.00 0.00 N ATOM 1434 CA GLU A 91 -9.320 -7.548 18.157 1.00 0.00 C ATOM 1435 C GLU A 91 -10.365 -7.998 17.145 1.00 0.00 C ATOM 1436 O GLU A 91 -11.049 -7.179 16.529 1.00 0.00 O ATOM 1437 CB GLU A 91 -9.987 -6.644 19.193 1.00 0.00 C ATOM 1438 CG GLU A 91 -9.149 -6.404 20.432 1.00 0.00 C ATOM 1439 CD GLU A 91 -9.852 -5.510 21.428 1.00 0.00 C ATOM 1440 OE1 GLU A 91 -10.938 -5.896 21.917 1.00 0.00 O ATOM 1441 OE2 GLU A 91 -9.318 -4.422 21.733 1.00 0.00 O ATOM 0 H GLU A 91 -8.280 -5.845 17.523 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.908 -8.431 18.647 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.215 -5.684 18.730 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.937 -7.088 19.490 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.917 -7.359 20.903 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.200 -5.951 20.145 1.00 0.00 H new ATOM 1448 N HIS A 92 -10.484 -9.303 16.974 1.00 0.00 N ATOM 1449 CA HIS A 92 -11.555 -9.871 16.174 1.00 0.00 C ATOM 1450 C HIS A 92 -12.665 -10.344 17.102 1.00 0.00 C ATOM 1451 O HIS A 92 -12.611 -11.453 17.630 1.00 0.00 O ATOM 1452 CB HIS A 92 -11.052 -11.039 15.316 1.00 0.00 C ATOM 1453 CG HIS A 92 -9.997 -10.658 14.320 1.00 0.00 C ATOM 1454 ND1 HIS A 92 -10.251 -10.502 12.974 1.00 0.00 N ATOM 1455 CD2 HIS A 92 -8.675 -10.413 14.480 1.00 0.00 C ATOM 1456 CE1 HIS A 92 -9.133 -10.178 12.352 1.00 0.00 C ATOM 1457 NE2 HIS A 92 -8.162 -10.117 13.241 1.00 0.00 N ATOM 0 H HIS A 92 -9.850 -9.991 17.380 1.00 0.00 H new ATOM 0 HA HIS A 92 -11.933 -9.105 15.497 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -10.654 -11.813 15.972 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -11.897 -11.476 14.784 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -8.126 -10.445 15.409 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -9.031 -9.994 11.293 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -7.188 -9.887 13.041 1.00 0.00 H new ATOM 1466 N HIS A 93 -13.645 -9.480 17.331 1.00 0.00 N ATOM 1467 CA HIS A 93 -14.727 -9.786 18.263 1.00 0.00 C ATOM 1468 C HIS A 93 -15.647 -10.853 17.689 1.00 0.00 C ATOM 1469 O HIS A 93 -16.409 -10.602 16.753 1.00 0.00 O ATOM 1470 CB HIS A 93 -15.518 -8.522 18.621 1.00 0.00 C ATOM 1471 CG HIS A 93 -14.797 -7.609 19.571 1.00 0.00 C ATOM 1472 ND1 HIS A 93 -15.445 -6.720 20.401 1.00 0.00 N ATOM 1473 CD2 HIS A 93 -13.473 -7.447 19.816 1.00 0.00 C ATOM 1474 CE1 HIS A 93 -14.554 -6.054 21.113 1.00 0.00 C ATOM 1475 NE2 HIS A 93 -13.350 -6.477 20.777 1.00 0.00 N ATOM 0 H HIS A 93 -13.715 -8.564 16.887 1.00 0.00 H new ATOM 0 HA HIS A 93 -14.282 -10.175 19.179 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -15.745 -7.975 17.706 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -16.471 -8.813 19.063 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -12.665 -7.983 19.342 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -14.774 -5.292 21.846 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -12.471 -6.138 21.168 1.00 0.00 H new ATOM 1484 N HIS A 94 -15.554 -12.047 18.257 1.00 0.00 N ATOM 1485 CA HIS A 94 -16.296 -13.200 17.771 1.00 0.00 C ATOM 1486 C HIS A 94 -17.742 -13.149 18.254 1.00 0.00 C ATOM 1487 O HIS A 94 -18.636 -13.733 17.639 1.00 0.00 O ATOM 1488 CB HIS A 94 -15.618 -14.488 18.248 1.00 0.00 C ATOM 1489 CG HIS A 94 -16.033 -15.711 17.492 1.00 0.00 C ATOM 1490 ND1 HIS A 94 -16.429 -16.880 18.104 1.00 0.00 N ATOM 1491 CD2 HIS A 94 -16.074 -15.956 16.162 1.00 0.00 C ATOM 1492 CE1 HIS A 94 -16.695 -17.788 17.185 1.00 0.00 C ATOM 1493 NE2 HIS A 94 -16.488 -17.253 15.996 1.00 0.00 N ATOM 0 H HIS A 94 -14.964 -12.243 19.065 1.00 0.00 H new ATOM 0 HA HIS A 94 -16.301 -13.183 16.681 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -14.538 -14.370 18.163 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -15.841 -14.634 19.305 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -15.826 -15.258 15.376 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -17.026 -18.799 17.373 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -16.615 -17.726 15.101 1.00 0.00 H new ATOM 1502 N HIS A 95 -17.962 -12.447 19.357 1.00 0.00 N ATOM 1503 CA HIS A 95 -19.295 -12.299 19.913 1.00 0.00 C ATOM 1504 C HIS A 95 -19.714 -10.835 19.831 1.00 0.00 C ATOM 1505 O HIS A 95 -19.227 -9.998 20.589 1.00 0.00 O ATOM 1506 CB HIS A 95 -19.325 -12.787 21.364 1.00 0.00 C ATOM 1507 CG HIS A 95 -20.685 -13.207 21.831 1.00 0.00 C ATOM 1508 ND1 HIS A 95 -21.346 -12.611 22.883 1.00 0.00 N ATOM 1509 CD2 HIS A 95 -21.500 -14.196 21.393 1.00 0.00 C ATOM 1510 CE1 HIS A 95 -22.505 -13.216 23.072 1.00 0.00 C ATOM 1511 NE2 HIS A 95 -22.620 -14.180 22.181 1.00 0.00 N ATOM 0 H HIS A 95 -17.230 -11.971 19.884 1.00 0.00 H new ATOM 0 HA HIS A 95 -19.996 -12.905 19.339 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -18.639 -13.627 21.469 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -18.957 -11.992 22.013 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -21.303 -14.872 20.574 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -23.234 -12.964 23.828 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -23.415 -14.813 22.092 1.00 0.00 H new ATOM 1520 N HIS A 96 -20.602 -10.536 18.896 1.00 0.00 N ATOM 1521 CA HIS A 96 -20.998 -9.160 18.619 1.00 0.00 C ATOM 1522 C HIS A 96 -21.769 -8.575 19.799 1.00 0.00 C ATOM 1523 O HIS A 96 -21.476 -7.473 20.261 1.00 0.00 O ATOM 1524 CB HIS A 96 -21.851 -9.112 17.348 1.00 0.00 C ATOM 1525 CG HIS A 96 -21.935 -7.754 16.721 1.00 0.00 C ATOM 1526 ND1 HIS A 96 -21.120 -7.358 15.686 1.00 0.00 N ATOM 1527 CD2 HIS A 96 -22.752 -6.705 16.973 1.00 0.00 C ATOM 1528 CE1 HIS A 96 -21.429 -6.126 15.329 1.00 0.00 C ATOM 1529 NE2 HIS A 96 -22.419 -5.706 16.094 1.00 0.00 N ATOM 0 H HIS A 96 -21.066 -11.231 18.311 1.00 0.00 H new ATOM 0 HA HIS A 96 -20.101 -8.560 18.468 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -21.440 -9.812 16.620 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -22.858 -9.454 17.586 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -23.524 -6.662 17.727 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -20.953 -5.558 14.544 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -22.863 -4.789 16.040 1.00 0.00 H new ATOM 1538 N HIS A 97 -22.754 -9.322 20.274 1.00 0.00 N ATOM 1539 CA HIS A 97 -23.549 -8.934 21.433 1.00 0.00 C ATOM 1540 C HIS A 97 -24.014 -10.176 22.166 1.00 0.00 C ATOM 1541 O HIS A 97 -23.654 -10.342 23.344 1.00 0.00 O ATOM 1542 CB HIS A 97 -24.764 -8.087 21.037 1.00 0.00 C ATOM 1543 CG HIS A 97 -24.495 -6.614 21.008 1.00 0.00 C ATOM 1544 ND1 HIS A 97 -24.573 -5.811 22.124 1.00 0.00 N ATOM 1545 CD2 HIS A 97 -24.161 -5.796 19.985 1.00 0.00 C ATOM 1546 CE1 HIS A 97 -24.299 -4.565 21.789 1.00 0.00 C ATOM 1547 NE2 HIS A 97 -24.045 -4.531 20.496 1.00 0.00 N ATOM 1548 OXT HIS A 97 -24.704 -11.007 21.538 1.00 0.00 O ATOM 0 H HIS A 97 -23.027 -10.217 19.867 1.00 0.00 H new ATOM 0 HA HIS A 97 -22.918 -8.327 22.082 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -25.109 -8.403 20.052 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -25.576 -8.284 21.737 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -24.013 -6.086 18.955 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -24.285 -3.718 22.459 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -23.801 -3.697 19.962 1.00 0.00 H new TER 1557 HIS A 97