USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 958 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 63 SER OG : rot -120:sc= 0.585 USER MOD Set 1.2: A 101 ASN : amide:sc= 0.748 K(o=1.6,f=0.41) USER MOD Set 1.3: A 108 SER OG : rot -16:sc= 0.257 USER MOD Set 2.1: A 80 THR OG1 : rot 178:sc= 1.02 USER MOD Set 2.2: A 83 SER OG : rot 81:sc= 1.23 USER MOD Set 3.1: A 21 ASN : amide:sc= 1.43 K(o=2.7,f=-8.2!) USER MOD Set 3.2: A 23 THR OG1 : rot -80:sc= 1.23 USER MOD Single : A 3 MET CE :methyl 162:sc= -0.0805 (180deg=-0.533) USER MOD Single : A 5 MET CE :methyl 137:sc= -2.99! (180deg=-4.59!) USER MOD Single : A 7 MET CE :methyl -167:sc= -3.51 (180deg=-4.06!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -160:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 170:sc= 1.2 (180deg=1.11) USER MOD Single : A 19 LYS NZ :NH3+ 158:sc= 1.33 (180deg=1.17) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 24 THR OG1 : rot 105:sc= 1.21 USER MOD Single : A 25 ASN :FLIP amide:sc=-0.00898 F(o=-1.1,f=-0.009) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 80:sc= 0.602 USER MOD Single : A 41 ASN : amide:sc= 0.714 K(o=0.71,f=-3.5!) USER MOD Single : A 44 TYR OH : rot 37:sc= 0.189 USER MOD Single : A 45 THR OG1 : rot 49:sc= 0.374 USER MOD Single : A 48 GLN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 49 SER OG : rot 174:sc= 0.993 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 0:sc= 0.52 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0535 USER MOD Single : A 69 SER OG : rot -142:sc= -1.02 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -145:sc= 1.49 (180deg=1.03) USER MOD Single : A 78 LYS NZ :NH3+ 135:sc= -1.24 (180deg=-3.51!) USER MOD Single : A 84 TYR OH : rot 120:sc= 1.04 USER MOD Single : A 86 HIS : no HD1:sc= -0.535 X(o=-0.53,f=-0.05) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.0597 K(o=-0.06,f=-1.6!) USER MOD Single : A 90 TYR OH : rot -135:sc= 0.0455 USER MOD Single : A 93 LYS NZ :NH3+ 176:sc= 1.08 (180deg=0.909) USER MOD Single : A 96 GLN : amide:sc= -0.275 K(o=-0.27,f=-2.5!) USER MOD Single : A 98 HIS : no HD1:sc= 0.0669 K(o=0.067,f=-1.4) USER MOD Single : A 99 CYS SG : rot 170:sc= -1.02 USER MOD Single : A 104 SER OG : rot 170:sc= -0.279 USER MOD Single : A 105 SER OG : rot 180:sc= 0.0437 USER MOD Single : A 107 LYS NZ :NH3+ -169:sc= -0.0314 (180deg=-0.24) USER MOD Single : A 116 CYS SG : rot 64:sc= -1.57! USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N MET A 3 9.997 -14.154 7.508 1.00 1.02 N ATOM 21 CA MET A 3 10.525 -12.813 7.359 1.00 0.92 C ATOM 22 C MET A 3 9.643 -11.997 6.417 1.00 0.65 C ATOM 23 O MET A 3 10.082 -11.556 5.352 1.00 0.82 O ATOM 24 CB MET A 3 11.965 -12.872 6.839 1.00 1.21 C ATOM 25 CG MET A 3 12.702 -11.543 6.903 1.00 1.47 C ATOM 26 SD MET A 3 14.409 -11.661 6.326 1.00 1.88 S ATOM 27 CE MET A 3 14.156 -12.116 4.611 1.00 2.83 C ATOM 0 HA MET A 3 10.528 -12.323 8.333 1.00 0.92 H new ATOM 0 HB2 MET A 3 12.519 -13.611 7.418 1.00 1.21 H new ATOM 0 HB3 MET A 3 11.953 -13.220 5.806 1.00 1.21 H new ATOM 0 HG2 MET A 3 12.169 -10.808 6.300 1.00 1.47 H new ATOM 0 HG3 MET A 3 12.695 -11.178 7.930 1.00 1.47 H new ATOM 0 HE1 MET A 3 15.066 -11.919 4.044 1.00 2.83 H new ATOM 0 HE2 MET A 3 13.912 -13.177 4.548 1.00 2.83 H new ATOM 0 HE3 MET A 3 13.336 -11.530 4.196 1.00 2.83 H new ATOM 37 N ALA A 4 8.388 -11.826 6.804 1.00 0.46 N ATOM 38 CA ALA A 4 7.485 -10.942 6.084 1.00 0.37 C ATOM 39 C ALA A 4 7.801 -9.502 6.464 1.00 0.34 C ATOM 40 O ALA A 4 7.357 -9.013 7.502 1.00 0.43 O ATOM 41 CB ALA A 4 6.035 -11.282 6.407 1.00 0.57 C ATOM 0 H ALA A 4 7.972 -12.288 7.613 1.00 0.46 H new ATOM 0 HA ALA A 4 7.623 -11.071 5.010 1.00 0.37 H new ATOM 0 HB1 ALA A 4 5.373 -10.611 5.860 1.00 0.57 H new ATOM 0 HB2 ALA A 4 5.829 -12.312 6.115 1.00 0.57 H new ATOM 0 HB3 ALA A 4 5.864 -11.167 7.477 1.00 0.57 H new ATOM 47 N MET A 5 8.592 -8.837 5.637 1.00 0.30 N ATOM 48 CA MET A 5 9.106 -7.518 5.974 1.00 0.33 C ATOM 49 C MET A 5 8.182 -6.424 5.473 1.00 0.34 C ATOM 50 O MET A 5 7.936 -6.325 4.272 1.00 0.34 O ATOM 51 CB MET A 5 10.497 -7.314 5.372 1.00 0.35 C ATOM 52 CG MET A 5 11.534 -8.301 5.871 1.00 0.63 C ATOM 53 SD MET A 5 13.204 -7.863 5.356 1.00 1.25 S ATOM 54 CE MET A 5 13.364 -6.244 6.102 1.00 0.90 C ATOM 0 H MET A 5 8.892 -9.188 4.728 1.00 0.30 H new ATOM 0 HA MET A 5 9.166 -7.459 7.061 1.00 0.33 H new ATOM 0 HB2 MET A 5 10.428 -7.393 4.287 1.00 0.35 H new ATOM 0 HB3 MET A 5 10.835 -6.302 5.597 1.00 0.35 H new ATOM 0 HG2 MET A 5 11.493 -8.348 6.959 1.00 0.63 H new ATOM 0 HG3 MET A 5 11.292 -9.297 5.500 1.00 0.63 H new ATOM 0 HE1 MET A 5 14.349 -6.150 6.559 1.00 0.90 H new ATOM 0 HE2 MET A 5 13.244 -5.477 5.337 1.00 0.90 H new ATOM 0 HE3 MET A 5 12.596 -6.118 6.866 1.00 0.90 H new ATOM 64 N PRO A 6 7.645 -5.596 6.384 1.00 0.41 N ATOM 65 CA PRO A 6 6.852 -4.426 6.005 1.00 0.46 C ATOM 66 C PRO A 6 7.630 -3.554 5.032 1.00 0.39 C ATOM 67 O PRO A 6 8.815 -3.302 5.230 1.00 0.38 O ATOM 68 CB PRO A 6 6.633 -3.694 7.330 1.00 0.58 C ATOM 69 CG PRO A 6 6.756 -4.752 8.371 1.00 0.61 C ATOM 70 CD PRO A 6 7.765 -5.736 7.846 1.00 0.49 C ATOM 0 HA PRO A 6 5.918 -4.685 5.507 1.00 0.46 H new ATOM 0 HB2 PRO A 6 7.374 -2.908 7.475 1.00 0.58 H new ATOM 0 HB3 PRO A 6 5.653 -3.219 7.362 1.00 0.58 H new ATOM 0 HG2 PRO A 6 7.082 -4.328 9.321 1.00 0.61 H new ATOM 0 HG3 PRO A 6 5.796 -5.236 8.551 1.00 0.61 H new ATOM 0 HD2 PRO A 6 8.772 -5.502 8.191 1.00 0.49 H new ATOM 0 HD3 PRO A 6 7.544 -6.752 8.172 1.00 0.49 H new ATOM 78 N MET A 7 6.955 -3.111 3.979 1.00 0.37 N ATOM 79 CA MET A 7 7.601 -2.409 2.874 1.00 0.32 C ATOM 80 C MET A 7 8.309 -1.141 3.330 1.00 0.29 C ATOM 81 O MET A 7 9.302 -0.732 2.738 1.00 0.28 O ATOM 82 CB MET A 7 6.573 -2.075 1.805 1.00 0.40 C ATOM 83 CG MET A 7 6.873 -2.725 0.472 1.00 0.37 C ATOM 84 SD MET A 7 8.399 -2.098 -0.253 1.00 1.39 S ATOM 85 CE MET A 7 8.279 -2.745 -1.915 1.00 0.77 C ATOM 0 H MET A 7 5.948 -3.227 3.866 1.00 0.37 H new ATOM 0 HA MET A 7 8.361 -3.074 2.463 1.00 0.32 H new ATOM 0 HB2 MET A 7 5.587 -2.393 2.145 1.00 0.40 H new ATOM 0 HB3 MET A 7 6.531 -0.994 1.674 1.00 0.40 H new ATOM 0 HG2 MET A 7 6.950 -3.804 0.604 1.00 0.37 H new ATOM 0 HG3 MET A 7 6.045 -2.546 -0.214 1.00 0.37 H new ATOM 0 HE1 MET A 7 9.242 -2.643 -2.416 1.00 0.77 H new ATOM 0 HE2 MET A 7 8.000 -3.798 -1.876 1.00 0.77 H new ATOM 0 HE3 MET A 7 7.522 -2.189 -2.468 1.00 0.77 H new ATOM 95 N ILE A 8 7.793 -0.522 4.375 1.00 0.30 N ATOM 96 CA ILE A 8 8.445 0.636 4.964 1.00 0.27 C ATOM 97 C ILE A 8 9.762 0.216 5.616 1.00 0.30 C ATOM 98 O ILE A 8 10.806 0.816 5.369 1.00 0.34 O ATOM 99 CB ILE A 8 7.523 1.323 5.995 1.00 0.29 C ATOM 100 CG1 ILE A 8 6.285 1.895 5.297 1.00 0.29 C ATOM 101 CG2 ILE A 8 8.258 2.411 6.756 1.00 0.38 C ATOM 102 CD1 ILE A 8 6.602 2.899 4.202 1.00 0.36 C ATOM 0 H ILE A 8 6.926 -0.800 4.834 1.00 0.30 H new ATOM 0 HA ILE A 8 8.656 1.355 4.173 1.00 0.27 H new ATOM 0 HB ILE A 8 7.205 0.572 6.718 1.00 0.29 H new ATOM 0 HG12 ILE A 8 5.711 1.074 4.868 1.00 0.29 H new ATOM 0 HG13 ILE A 8 5.649 2.374 6.042 1.00 0.29 H new ATOM 0 HG21 ILE A 8 7.581 2.874 7.473 1.00 0.38 H new ATOM 0 HG22 ILE A 8 9.105 1.976 7.286 1.00 0.38 H new ATOM 0 HG23 ILE A 8 8.617 3.166 6.056 1.00 0.38 H new ATOM 0 HD11 ILE A 8 5.674 3.257 3.757 1.00 0.36 H new ATOM 0 HD12 ILE A 8 7.149 3.741 4.627 1.00 0.36 H new ATOM 0 HD13 ILE A 8 7.211 2.421 3.435 1.00 0.36 H new ATOM 114 N GLU A 9 9.699 -0.851 6.402 1.00 0.32 N ATOM 115 CA GLU A 9 10.877 -1.406 7.068 1.00 0.39 C ATOM 116 C GLU A 9 11.916 -1.860 6.037 1.00 0.34 C ATOM 117 O GLU A 9 13.117 -1.640 6.205 1.00 0.37 O ATOM 118 CB GLU A 9 10.450 -2.591 7.940 1.00 0.53 C ATOM 119 CG GLU A 9 11.570 -3.205 8.765 1.00 0.66 C ATOM 120 CD GLU A 9 12.019 -2.323 9.914 1.00 0.87 C ATOM 121 OE1 GLU A 9 11.206 -2.065 10.825 1.00 1.20 O ATOM 122 OE2 GLU A 9 13.201 -1.926 9.935 1.00 1.67 O ATOM 0 H GLU A 9 8.835 -1.357 6.597 1.00 0.32 H new ATOM 0 HA GLU A 9 11.330 -0.636 7.692 1.00 0.39 H new ATOM 0 HB2 GLU A 9 9.658 -2.263 8.613 1.00 0.53 H new ATOM 0 HB3 GLU A 9 10.024 -3.362 7.299 1.00 0.53 H new ATOM 0 HG2 GLU A 9 11.237 -4.164 9.161 1.00 0.66 H new ATOM 0 HG3 GLU A 9 12.422 -3.407 8.116 1.00 0.66 H new ATOM 129 N TYR A 10 11.439 -2.498 4.969 1.00 0.33 N ATOM 130 CA TYR A 10 12.303 -2.956 3.884 1.00 0.33 C ATOM 131 C TYR A 10 13.008 -1.766 3.239 1.00 0.33 C ATOM 132 O TYR A 10 14.214 -1.806 2.976 1.00 0.40 O ATOM 133 CB TYR A 10 11.479 -3.707 2.833 1.00 0.37 C ATOM 134 CG TYR A 10 12.313 -4.413 1.785 1.00 0.45 C ATOM 135 CD1 TYR A 10 12.811 -5.688 2.017 1.00 0.56 C ATOM 136 CD2 TYR A 10 12.604 -3.809 0.566 1.00 0.50 C ATOM 137 CE1 TYR A 10 13.573 -6.342 1.069 1.00 0.67 C ATOM 138 CE2 TYR A 10 13.365 -4.456 -0.387 1.00 0.60 C ATOM 139 CZ TYR A 10 13.848 -5.722 -0.132 1.00 0.68 C ATOM 140 OH TYR A 10 14.608 -6.373 -1.080 1.00 0.80 O ATOM 0 H TYR A 10 10.451 -2.710 4.833 1.00 0.33 H new ATOM 0 HA TYR A 10 13.052 -3.633 4.295 1.00 0.33 H new ATOM 0 HB2 TYR A 10 10.849 -4.441 3.336 1.00 0.37 H new ATOM 0 HB3 TYR A 10 10.812 -3.002 2.337 1.00 0.37 H new ATOM 0 HD1 TYR A 10 12.599 -6.177 2.956 1.00 0.56 H new ATOM 0 HD2 TYR A 10 12.228 -2.817 0.362 1.00 0.50 H new ATOM 0 HE1 TYR A 10 13.952 -7.334 1.267 1.00 0.67 H new ATOM 0 HE2 TYR A 10 13.581 -3.973 -1.328 1.00 0.60 H new ATOM 0 HH TYR A 10 14.708 -5.800 -1.869 1.00 0.80 H new ATOM 150 N LEU A 11 12.240 -0.707 3.004 1.00 0.33 N ATOM 151 CA LEU A 11 12.762 0.515 2.410 1.00 0.40 C ATOM 152 C LEU A 11 13.861 1.103 3.289 1.00 0.41 C ATOM 153 O LEU A 11 14.926 1.488 2.800 1.00 0.51 O ATOM 154 CB LEU A 11 11.635 1.534 2.230 1.00 0.47 C ATOM 155 CG LEU A 11 11.869 2.574 1.135 1.00 0.82 C ATOM 156 CD1 LEU A 11 11.847 1.911 -0.236 1.00 1.30 C ATOM 157 CD2 LEU A 11 10.823 3.672 1.216 1.00 1.45 C ATOM 0 H LEU A 11 11.244 -0.673 3.219 1.00 0.33 H new ATOM 0 HA LEU A 11 13.184 0.276 1.434 1.00 0.40 H new ATOM 0 HB2 LEU A 11 10.713 0.997 2.008 1.00 0.47 H new ATOM 0 HB3 LEU A 11 11.482 2.053 3.176 1.00 0.47 H new ATOM 0 HG LEU A 11 12.850 3.024 1.284 1.00 0.82 H new ATOM 0 HD11 LEU A 11 12.015 2.663 -1.007 1.00 1.30 H new ATOM 0 HD12 LEU A 11 12.632 1.157 -0.288 1.00 1.30 H new ATOM 0 HD13 LEU A 11 10.878 1.438 -0.396 1.00 1.30 H new ATOM 0 HD21 LEU A 11 11.003 4.405 0.430 1.00 1.45 H new ATOM 0 HD22 LEU A 11 9.831 3.239 1.088 1.00 1.45 H new ATOM 0 HD23 LEU A 11 10.883 4.161 2.188 1.00 1.45 H new ATOM 169 N GLU A 12 13.597 1.143 4.590 1.00 0.39 N ATOM 170 CA GLU A 12 14.544 1.676 5.559 1.00 0.50 C ATOM 171 C GLU A 12 15.859 0.900 5.537 1.00 0.53 C ATOM 172 O GLU A 12 16.926 1.474 5.318 1.00 0.61 O ATOM 173 CB GLU A 12 13.947 1.619 6.968 1.00 0.59 C ATOM 174 CG GLU A 12 12.679 2.443 7.139 1.00 0.65 C ATOM 175 CD GLU A 12 12.173 2.443 8.565 1.00 0.74 C ATOM 176 OE1 GLU A 12 12.745 3.178 9.396 1.00 1.41 O ATOM 177 OE2 GLU A 12 11.196 1.727 8.864 1.00 0.90 O ATOM 0 H GLU A 12 12.725 0.809 5.000 1.00 0.39 H new ATOM 0 HA GLU A 12 14.748 2.711 5.286 1.00 0.50 H new ATOM 0 HB2 GLU A 12 13.729 0.580 7.217 1.00 0.59 H new ATOM 0 HB3 GLU A 12 14.693 1.968 7.682 1.00 0.59 H new ATOM 0 HG2 GLU A 12 12.872 3.469 6.826 1.00 0.65 H new ATOM 0 HG3 GLU A 12 11.903 2.050 6.482 1.00 0.65 H new ATOM 184 N ARG A 13 15.772 -0.407 5.728 1.00 0.50 N ATOM 185 CA ARG A 13 16.957 -1.238 5.894 1.00 0.57 C ATOM 186 C ARG A 13 17.763 -1.378 4.605 1.00 0.60 C ATOM 187 O ARG A 13 18.987 -1.296 4.623 1.00 0.69 O ATOM 188 CB ARG A 13 16.569 -2.630 6.393 1.00 0.58 C ATOM 189 CG ARG A 13 15.851 -2.634 7.732 1.00 0.61 C ATOM 190 CD ARG A 13 15.539 -4.053 8.178 1.00 0.65 C ATOM 191 NE ARG A 13 14.712 -4.083 9.381 1.00 1.36 N ATOM 192 CZ ARG A 13 14.405 -5.195 10.050 1.00 1.54 C ATOM 193 NH1 ARG A 13 14.915 -6.366 9.679 1.00 1.16 N ATOM 194 NH2 ARG A 13 13.594 -5.132 11.101 1.00 2.57 N ATOM 0 H ARG A 13 14.890 -0.918 5.772 1.00 0.50 H new ATOM 0 HA ARG A 13 17.585 -0.735 6.630 1.00 0.57 H new ATOM 0 HB2 ARG A 13 15.929 -3.105 5.649 1.00 0.58 H new ATOM 0 HB3 ARG A 13 17.470 -3.239 6.475 1.00 0.58 H new ATOM 0 HG2 ARG A 13 16.470 -2.141 8.482 1.00 0.61 H new ATOM 0 HG3 ARG A 13 14.927 -2.062 7.655 1.00 0.61 H new ATOM 0 HD2 ARG A 13 15.027 -4.581 7.374 1.00 0.65 H new ATOM 0 HD3 ARG A 13 16.471 -4.586 8.366 1.00 0.65 H new ATOM 0 HE ARG A 13 14.346 -3.198 9.732 1.00 1.36 H new ATOM 0 HH11 ARG A 13 15.545 -6.417 8.878 1.00 1.16 H new ATOM 0 HH12 ARG A 13 14.676 -7.213 10.195 1.00 1.16 H new ATOM 0 HH21 ARG A 13 13.208 -4.235 11.394 1.00 2.57 H new ATOM 0 HH22 ARG A 13 13.358 -5.981 11.614 1.00 2.57 H new ATOM 208 N PHE A 14 17.084 -1.588 3.488 1.00 0.58 N ATOM 209 CA PHE A 14 17.778 -1.947 2.255 1.00 0.68 C ATOM 210 C PHE A 14 17.964 -0.764 1.310 1.00 0.75 C ATOM 211 O PHE A 14 19.060 -0.542 0.796 1.00 0.96 O ATOM 212 CB PHE A 14 17.036 -3.074 1.533 1.00 0.68 C ATOM 213 CG PHE A 14 17.045 -4.375 2.287 1.00 0.72 C ATOM 214 CD1 PHE A 14 16.086 -4.640 3.249 1.00 0.69 C ATOM 215 CD2 PHE A 14 18.017 -5.330 2.036 1.00 0.88 C ATOM 216 CE1 PHE A 14 16.095 -5.830 3.948 1.00 0.79 C ATOM 217 CE2 PHE A 14 18.034 -6.524 2.734 1.00 0.98 C ATOM 218 CZ PHE A 14 17.070 -6.773 3.691 1.00 0.93 C ATOM 0 H PHE A 14 16.070 -1.518 3.406 1.00 0.58 H new ATOM 0 HA PHE A 14 18.772 -2.285 2.547 1.00 0.68 H new ATOM 0 HB2 PHE A 14 16.004 -2.768 1.363 1.00 0.68 H new ATOM 0 HB3 PHE A 14 17.488 -3.227 0.553 1.00 0.68 H new ATOM 0 HD1 PHE A 14 15.321 -3.906 3.455 1.00 0.69 H new ATOM 0 HD2 PHE A 14 18.771 -5.140 1.286 1.00 0.88 H new ATOM 0 HE1 PHE A 14 15.340 -6.023 4.695 1.00 0.79 H new ATOM 0 HE2 PHE A 14 18.799 -7.259 2.531 1.00 0.98 H new ATOM 0 HZ PHE A 14 17.079 -7.704 4.238 1.00 0.93 H new ATOM 228 N SER A 15 16.908 -0.001 1.088 1.00 0.69 N ATOM 229 CA SER A 15 16.919 1.009 0.041 1.00 0.83 C ATOM 230 C SER A 15 17.510 2.341 0.509 1.00 0.91 C ATOM 231 O SER A 15 18.141 3.053 -0.275 1.00 1.07 O ATOM 232 CB SER A 15 15.497 1.219 -0.480 1.00 0.81 C ATOM 233 OG SER A 15 14.924 -0.015 -0.878 1.00 1.37 O ATOM 0 H SER A 15 16.036 -0.060 1.614 1.00 0.69 H new ATOM 0 HA SER A 15 17.563 0.643 -0.759 1.00 0.83 H new ATOM 0 HB2 SER A 15 14.884 1.677 0.296 1.00 0.81 H new ATOM 0 HB3 SER A 15 15.511 1.909 -1.324 1.00 0.81 H new ATOM 0 HG SER A 15 14.173 0.154 -1.485 1.00 1.37 H new ATOM 239 N LEU A 16 17.314 2.684 1.775 1.00 0.84 N ATOM 240 CA LEU A 16 17.687 4.015 2.246 1.00 0.95 C ATOM 241 C LEU A 16 18.812 4.001 3.272 1.00 0.98 C ATOM 242 O LEU A 16 19.617 4.932 3.323 1.00 1.12 O ATOM 243 CB LEU A 16 16.471 4.717 2.841 1.00 0.94 C ATOM 244 CG LEU A 16 15.306 4.908 1.875 1.00 0.99 C ATOM 245 CD1 LEU A 16 14.132 5.542 2.593 1.00 0.95 C ATOM 246 CD2 LEU A 16 15.730 5.756 0.684 1.00 1.22 C ATOM 0 H LEU A 16 16.907 2.074 2.484 1.00 0.84 H new ATOM 0 HA LEU A 16 18.056 4.556 1.375 1.00 0.95 H new ATOM 0 HB2 LEU A 16 16.122 4.144 3.700 1.00 0.94 H new ATOM 0 HB3 LEU A 16 16.779 5.694 3.214 1.00 0.94 H new ATOM 0 HG LEU A 16 14.999 3.931 1.502 1.00 0.99 H new ATOM 0 HD11 LEU A 16 13.306 5.674 1.894 1.00 0.95 H new ATOM 0 HD12 LEU A 16 13.815 4.897 3.412 1.00 0.95 H new ATOM 0 HD13 LEU A 16 14.429 6.512 2.990 1.00 0.95 H new ATOM 0 HD21 LEU A 16 14.885 5.881 0.007 1.00 1.22 H new ATOM 0 HD22 LEU A 16 16.062 6.734 1.033 1.00 1.22 H new ATOM 0 HD23 LEU A 16 16.547 5.262 0.158 1.00 1.22 H new ATOM 258 N LYS A 17 18.843 2.957 4.101 1.00 0.88 N ATOM 259 CA LYS A 17 19.787 2.865 5.221 1.00 0.96 C ATOM 260 C LYS A 17 19.491 3.961 6.240 1.00 1.01 C ATOM 261 O LYS A 17 20.330 4.302 7.074 1.00 1.13 O ATOM 262 CB LYS A 17 21.235 2.977 4.740 1.00 1.12 C ATOM 263 CG LYS A 17 21.649 1.895 3.752 1.00 1.09 C ATOM 264 CD LYS A 17 21.490 0.504 4.344 1.00 1.00 C ATOM 265 CE LYS A 17 21.862 -0.580 3.345 1.00 1.08 C ATOM 266 NZ LYS A 17 21.576 -1.940 3.875 1.00 1.20 N ATOM 0 H LYS A 17 18.219 2.154 4.018 1.00 0.88 H new ATOM 0 HA LYS A 17 19.662 1.889 5.689 1.00 0.96 H new ATOM 0 HB2 LYS A 17 21.377 3.952 4.274 1.00 1.12 H new ATOM 0 HB3 LYS A 17 21.898 2.937 5.605 1.00 1.12 H new ATOM 0 HG2 LYS A 17 21.046 1.977 2.848 1.00 1.09 H new ATOM 0 HG3 LYS A 17 22.687 2.049 3.457 1.00 1.09 H new ATOM 0 HD2 LYS A 17 22.117 0.412 5.231 1.00 1.00 H new ATOM 0 HD3 LYS A 17 20.459 0.362 4.667 1.00 1.00 H new ATOM 0 HE2 LYS A 17 21.308 -0.427 2.419 1.00 1.08 H new ATOM 0 HE3 LYS A 17 22.921 -0.501 3.100 1.00 1.08 H new ATOM 0 HZ1 LYS A 17 21.681 -2.639 3.112 1.00 1.20 H new ATOM 0 HZ2 LYS A 17 22.243 -2.161 4.642 1.00 1.20 H new ATOM 0 HZ3 LYS A 17 20.604 -1.972 4.242 1.00 1.20 H new ATOM 280 N ALA A 18 18.282 4.498 6.152 1.00 0.97 N ATOM 281 CA ALA A 18 17.851 5.604 6.992 1.00 1.05 C ATOM 282 C ALA A 18 16.472 5.328 7.587 1.00 0.85 C ATOM 283 O ALA A 18 15.950 4.218 7.476 1.00 0.93 O ATOM 284 CB ALA A 18 17.836 6.892 6.180 1.00 1.21 C ATOM 0 H ALA A 18 17.572 4.177 5.494 1.00 0.97 H new ATOM 0 HA ALA A 18 18.556 5.713 7.816 1.00 1.05 H new ATOM 0 HB1 ALA A 18 17.512 7.718 6.814 1.00 1.21 H new ATOM 0 HB2 ALA A 18 18.838 7.096 5.802 1.00 1.21 H new ATOM 0 HB3 ALA A 18 17.147 6.786 5.342 1.00 1.21 H new ATOM 290 N LYS A 19 15.889 6.343 8.213 1.00 0.94 N ATOM 291 CA LYS A 19 14.612 6.204 8.902 1.00 0.87 C ATOM 292 C LYS A 19 13.462 6.779 8.076 1.00 0.66 C ATOM 293 O LYS A 19 13.530 7.915 7.596 1.00 0.72 O ATOM 294 CB LYS A 19 14.693 6.897 10.274 1.00 1.18 C ATOM 295 CG LYS A 19 13.373 6.977 11.033 1.00 1.36 C ATOM 296 CD LYS A 19 12.759 5.605 11.257 1.00 1.62 C ATOM 297 CE LYS A 19 13.698 4.680 12.015 1.00 1.96 C ATOM 298 NZ LYS A 19 13.183 3.289 12.044 1.00 2.32 N ATOM 0 H LYS A 19 16.286 7.282 8.257 1.00 0.94 H new ATOM 0 HA LYS A 19 14.409 5.142 9.042 1.00 0.87 H new ATOM 0 HB2 LYS A 19 15.418 6.366 10.891 1.00 1.18 H new ATOM 0 HB3 LYS A 19 15.075 7.908 10.132 1.00 1.18 H new ATOM 0 HG2 LYS A 19 13.537 7.462 11.995 1.00 1.36 H new ATOM 0 HG3 LYS A 19 12.673 7.601 10.477 1.00 1.36 H new ATOM 0 HD2 LYS A 19 11.827 5.711 11.812 1.00 1.62 H new ATOM 0 HD3 LYS A 19 12.508 5.158 10.295 1.00 1.62 H new ATOM 0 HE2 LYS A 19 14.682 4.695 11.547 1.00 1.96 H new ATOM 0 HE3 LYS A 19 13.824 5.044 13.035 1.00 1.96 H new ATOM 0 HZ1 LYS A 19 13.969 2.631 12.219 1.00 2.32 H new ATOM 0 HZ2 LYS A 19 12.478 3.196 12.803 1.00 2.32 H new ATOM 0 HZ3 LYS A 19 12.740 3.064 11.130 1.00 2.32 H new ATOM 312 N ILE A 20 12.415 5.979 7.911 1.00 0.55 N ATOM 313 CA ILE A 20 11.194 6.432 7.258 1.00 0.46 C ATOM 314 C ILE A 20 10.234 7.017 8.293 1.00 0.53 C ATOM 315 O ILE A 20 9.752 6.310 9.178 1.00 0.66 O ATOM 316 CB ILE A 20 10.486 5.284 6.492 1.00 0.51 C ATOM 317 CG1 ILE A 20 11.243 4.920 5.204 1.00 0.43 C ATOM 318 CG2 ILE A 20 9.045 5.667 6.160 1.00 0.70 C ATOM 319 CD1 ILE A 20 11.083 5.940 4.101 1.00 0.77 C ATOM 0 H ILE A 20 12.388 5.008 8.223 1.00 0.55 H new ATOM 0 HA ILE A 20 11.476 7.197 6.535 1.00 0.46 H new ATOM 0 HB ILE A 20 10.480 4.410 7.143 1.00 0.51 H new ATOM 0 HG12 ILE A 20 12.303 4.809 5.434 1.00 0.43 H new ATOM 0 HG13 ILE A 20 10.891 3.952 4.847 1.00 0.43 H new ATOM 0 HG21 ILE A 20 8.566 4.849 5.623 1.00 0.70 H new ATOM 0 HG22 ILE A 20 8.499 5.864 7.083 1.00 0.70 H new ATOM 0 HG23 ILE A 20 9.041 6.562 5.537 1.00 0.70 H new ATOM 0 HD11 ILE A 20 11.644 5.618 3.223 1.00 0.77 H new ATOM 0 HD12 ILE A 20 10.028 6.035 3.843 1.00 0.77 H new ATOM 0 HD13 ILE A 20 11.462 6.904 4.440 1.00 0.77 H new ATOM 331 N ASN A 21 9.991 8.313 8.194 1.00 0.51 N ATOM 332 CA ASN A 21 9.023 8.988 9.048 1.00 0.59 C ATOM 333 C ASN A 21 8.489 10.226 8.334 1.00 0.67 C ATOM 334 O ASN A 21 8.511 10.279 7.110 1.00 0.69 O ATOM 335 CB ASN A 21 9.624 9.342 10.424 1.00 0.63 C ATOM 336 CG ASN A 21 10.825 10.269 10.361 1.00 1.26 C ATOM 337 OD1 ASN A 21 10.947 11.099 9.466 1.00 2.19 O ATOM 338 ND2 ASN A 21 11.720 10.141 11.325 1.00 1.85 N ATOM 0 H ASN A 21 10.455 8.926 7.524 1.00 0.51 H new ATOM 0 HA ASN A 21 8.193 8.307 9.239 1.00 0.59 H new ATOM 0 HB2 ASN A 21 8.852 9.808 11.036 1.00 0.63 H new ATOM 0 HB3 ASN A 21 9.917 8.421 10.928 1.00 0.63 H new ATOM 0 HD21 ASN A 21 12.543 10.743 11.340 1.00 1.85 H new ATOM 0 HD22 ASN A 21 11.588 9.440 12.054 1.00 1.85 H new ATOM 345 N ASN A 22 8.028 11.221 9.076 1.00 0.78 N ATOM 346 CA ASN A 22 7.426 12.415 8.472 1.00 0.97 C ATOM 347 C ASN A 22 8.429 13.227 7.629 1.00 0.99 C ATOM 348 O ASN A 22 8.042 14.176 6.944 1.00 1.18 O ATOM 349 CB ASN A 22 6.807 13.303 9.561 1.00 1.13 C ATOM 350 CG ASN A 22 7.843 13.918 10.483 1.00 1.38 C ATOM 351 OD1 ASN A 22 8.281 13.291 11.449 1.00 1.80 O ATOM 352 ND2 ASN A 22 8.215 15.161 10.218 1.00 2.01 N ATOM 0 H ASN A 22 8.056 11.232 10.096 1.00 0.78 H new ATOM 0 HA ASN A 22 6.647 12.070 7.792 1.00 0.97 H new ATOM 0 HB2 ASN A 22 6.230 14.099 9.089 1.00 1.13 H new ATOM 0 HB3 ASN A 22 6.109 12.710 10.152 1.00 1.13 H new ATOM 0 HD21 ASN A 22 8.887 15.632 10.824 1.00 2.01 H new ATOM 0 HD22 ASN A 22 7.830 15.647 9.408 1.00 2.01 H new ATOM 359 N THR A 23 9.704 12.855 7.657 1.00 0.90 N ATOM 360 CA THR A 23 10.716 13.573 6.887 1.00 1.04 C ATOM 361 C THR A 23 11.025 12.870 5.563 1.00 0.91 C ATOM 362 O THR A 23 12.038 13.156 4.925 1.00 0.91 O ATOM 363 CB THR A 23 12.030 13.743 7.682 1.00 1.27 C ATOM 364 OG1 THR A 23 12.583 12.462 8.015 1.00 1.39 O ATOM 365 CG2 THR A 23 11.798 14.547 8.953 1.00 1.78 C ATOM 0 H THR A 23 10.060 12.068 8.199 1.00 0.90 H new ATOM 0 HA THR A 23 10.296 14.557 6.680 1.00 1.04 H new ATOM 0 HB THR A 23 12.735 14.285 7.051 1.00 1.27 H new ATOM 0 HG1 THR A 23 12.120 12.099 8.799 1.00 1.39 H new ATOM 0 HG21 THR A 23 12.738 14.652 9.494 1.00 1.78 H new ATOM 0 HG22 THR A 23 11.416 15.535 8.694 1.00 1.78 H new ATOM 0 HG23 THR A 23 11.073 14.031 9.583 1.00 1.78 H new ATOM 373 N THR A 24 10.157 11.947 5.155 1.00 0.92 N ATOM 374 CA THR A 24 10.361 11.198 3.919 1.00 0.90 C ATOM 375 C THR A 24 10.424 12.113 2.699 1.00 0.80 C ATOM 376 O THR A 24 9.583 13.000 2.525 1.00 1.03 O ATOM 377 CB THR A 24 9.236 10.174 3.693 1.00 1.18 C ATOM 378 OG1 THR A 24 7.962 10.784 3.922 1.00 1.68 O ATOM 379 CG2 THR A 24 9.402 8.963 4.593 1.00 1.42 C ATOM 0 H THR A 24 9.307 11.701 5.662 1.00 0.92 H new ATOM 0 HA THR A 24 11.315 10.684 4.033 1.00 0.90 H new ATOM 0 HB THR A 24 9.293 9.836 2.658 1.00 1.18 H new ATOM 0 HG1 THR A 24 7.525 10.960 3.063 1.00 1.68 H new ATOM 0 HG21 THR A 24 8.591 8.259 4.408 1.00 1.42 H new ATOM 0 HG22 THR A 24 10.356 8.481 4.382 1.00 1.42 H new ATOM 0 HG23 THR A 24 9.378 9.279 5.636 1.00 1.42 H new ATOM 387 N ASN A 25 11.441 11.914 1.874 1.00 0.71 N ATOM 388 CA ASN A 25 11.497 12.550 0.567 1.00 0.76 C ATOM 389 C ASN A 25 11.194 11.515 -0.504 1.00 0.77 C ATOM 390 O ASN A 25 11.176 11.811 -1.700 1.00 0.87 O ATOM 391 CB ASN A 25 12.871 13.177 0.320 1.00 0.90 C ATOM 392 CG ASN A 25 13.157 14.356 1.233 1.00 1.23 C ATOM 393 OD1 ASN A 25 12.132 15.127 1.560 1.00 1.82 O flip ATOM 394 ND2 ASN A 25 14.299 14.585 1.624 1.00 1.98 N flip ATOM 0 H ASN A 25 12.240 11.316 2.087 1.00 0.71 H new ATOM 0 HA ASN A 25 10.754 13.347 0.530 1.00 0.76 H new ATOM 0 HB2 ASN A 25 13.641 12.419 0.462 1.00 0.90 H new ATOM 0 HB3 ASN A 25 12.934 13.504 -0.718 1.00 0.90 H new ATOM 0 HD21 ASN A 25 15.065 13.968 1.352 1.00 1.98 H new ATOM 0 HD22 ASN A 25 14.482 15.392 2.221 1.00 1.98 H new ATOM 401 N LEU A 26 10.932 10.293 -0.049 1.00 0.79 N ATOM 402 CA LEU A 26 10.681 9.161 -0.935 1.00 0.82 C ATOM 403 C LEU A 26 9.248 9.171 -1.447 1.00 0.74 C ATOM 404 O LEU A 26 8.848 8.285 -2.201 1.00 0.74 O ATOM 405 CB LEU A 26 10.964 7.834 -0.215 1.00 1.09 C ATOM 406 CG LEU A 26 12.443 7.460 -0.056 1.00 1.55 C ATOM 407 CD1 LEU A 26 13.129 7.402 -1.410 1.00 2.31 C ATOM 408 CD2 LEU A 26 13.158 8.435 0.863 1.00 2.48 C ATOM 0 H LEU A 26 10.888 10.060 0.943 1.00 0.79 H new ATOM 0 HA LEU A 26 11.355 9.255 -1.786 1.00 0.82 H new ATOM 0 HB2 LEU A 26 10.512 7.877 0.776 1.00 1.09 H new ATOM 0 HB3 LEU A 26 10.463 7.033 -0.760 1.00 1.09 H new ATOM 0 HG LEU A 26 12.492 6.471 0.399 1.00 1.55 H new ATOM 0 HD11 LEU A 26 14.177 7.135 -1.276 1.00 2.31 H new ATOM 0 HD12 LEU A 26 12.641 6.653 -2.033 1.00 2.31 H new ATOM 0 HD13 LEU A 26 13.062 8.376 -1.894 1.00 2.31 H new ATOM 0 HD21 LEU A 26 14.205 8.145 0.957 1.00 2.48 H new ATOM 0 HD22 LEU A 26 13.096 9.440 0.446 1.00 2.48 H new ATOM 0 HD23 LEU A 26 12.687 8.420 1.846 1.00 2.48 H new ATOM 420 N ASP A 27 8.483 10.161 -1.011 1.00 0.78 N ATOM 421 CA ASP A 27 7.130 10.373 -1.507 1.00 0.89 C ATOM 422 C ASP A 27 7.164 10.556 -3.013 1.00 0.81 C ATOM 423 O ASP A 27 6.618 9.754 -3.763 1.00 0.99 O ATOM 424 CB ASP A 27 6.506 11.613 -0.858 1.00 1.04 C ATOM 425 CG ASP A 27 6.406 11.512 0.653 1.00 1.41 C ATOM 426 OD1 ASP A 27 7.447 11.294 1.311 1.00 1.43 O ATOM 427 OD2 ASP A 27 5.291 11.673 1.190 1.00 2.18 O ATOM 0 H ASP A 27 8.780 10.837 -0.307 1.00 0.78 H new ATOM 0 HA ASP A 27 6.526 9.502 -1.253 1.00 0.89 H new ATOM 0 HB2 ASP A 27 7.100 12.489 -1.118 1.00 1.04 H new ATOM 0 HB3 ASP A 27 5.510 11.769 -1.272 1.00 1.04 H new ATOM 432 N TYR A 28 7.853 11.598 -3.447 1.00 0.70 N ATOM 433 CA TYR A 28 7.953 11.911 -4.863 1.00 0.82 C ATOM 434 C TYR A 28 8.993 11.028 -5.542 1.00 0.69 C ATOM 435 O TYR A 28 9.128 11.037 -6.763 1.00 0.83 O ATOM 436 CB TYR A 28 8.299 13.385 -5.056 1.00 1.02 C ATOM 437 CG TYR A 28 7.272 14.320 -4.461 1.00 1.16 C ATOM 438 CD1 TYR A 28 6.069 14.560 -5.111 1.00 1.32 C ATOM 439 CD2 TYR A 28 7.499 14.953 -3.244 1.00 1.24 C ATOM 440 CE1 TYR A 28 5.122 15.406 -4.569 1.00 1.48 C ATOM 441 CE2 TYR A 28 6.556 15.798 -2.694 1.00 1.38 C ATOM 442 CZ TYR A 28 5.369 16.021 -3.361 1.00 1.47 C ATOM 443 OH TYR A 28 4.425 16.859 -2.817 1.00 1.64 O ATOM 0 H TYR A 28 8.353 12.244 -2.836 1.00 0.70 H new ATOM 0 HA TYR A 28 6.986 11.714 -5.326 1.00 0.82 H new ATOM 0 HB2 TYR A 28 9.270 13.586 -4.603 1.00 1.02 H new ATOM 0 HB3 TYR A 28 8.396 13.592 -6.122 1.00 1.02 H new ATOM 0 HD1 TYR A 28 5.871 14.077 -6.056 1.00 1.32 H new ATOM 0 HD2 TYR A 28 8.428 14.781 -2.721 1.00 1.24 H new ATOM 0 HE1 TYR A 28 4.193 15.585 -5.089 1.00 1.48 H new ATOM 0 HE2 TYR A 28 6.746 16.282 -1.747 1.00 1.38 H new ATOM 0 HH TYR A 28 4.753 17.211 -1.963 1.00 1.64 H new ATOM 453 N SER A 29 9.714 10.251 -4.744 1.00 0.52 N ATOM 454 CA SER A 29 10.712 9.335 -5.272 1.00 0.50 C ATOM 455 C SER A 29 10.061 8.013 -5.610 1.00 0.43 C ATOM 456 O SER A 29 10.692 7.135 -6.192 1.00 0.43 O ATOM 457 CB SER A 29 11.831 9.097 -4.265 1.00 0.53 C ATOM 458 OG SER A 29 12.439 10.316 -3.880 1.00 0.61 O ATOM 0 H SER A 29 9.625 10.238 -3.728 1.00 0.52 H new ATOM 0 HA SER A 29 11.141 9.784 -6.168 1.00 0.50 H new ATOM 0 HB2 SER A 29 11.431 8.593 -3.385 1.00 0.53 H new ATOM 0 HB3 SER A 29 12.580 8.435 -4.699 1.00 0.53 H new ATOM 0 HG SER A 29 11.884 10.759 -3.204 1.00 0.61 H new ATOM 464 N ARG A 30 8.793 7.881 -5.240 1.00 0.42 N ATOM 465 CA ARG A 30 8.051 6.649 -5.462 1.00 0.40 C ATOM 466 C ARG A 30 8.089 6.258 -6.937 1.00 0.38 C ATOM 467 O ARG A 30 8.156 5.079 -7.274 1.00 0.39 O ATOM 468 CB ARG A 30 6.606 6.804 -4.985 1.00 0.43 C ATOM 469 CG ARG A 30 6.160 5.690 -4.062 1.00 0.49 C ATOM 470 CD ARG A 30 6.894 5.753 -2.736 1.00 0.73 C ATOM 471 NE ARG A 30 6.859 4.478 -2.020 1.00 1.07 N ATOM 472 CZ ARG A 30 7.554 4.237 -0.909 1.00 1.18 C ATOM 473 NH1 ARG A 30 8.264 5.211 -0.348 1.00 1.25 N ATOM 474 NH2 ARG A 30 7.531 3.029 -0.356 1.00 1.86 N ATOM 0 H ARG A 30 8.256 8.617 -4.782 1.00 0.42 H new ATOM 0 HA ARG A 30 8.522 5.854 -4.885 1.00 0.40 H new ATOM 0 HB2 ARG A 30 6.501 7.758 -4.469 1.00 0.43 H new ATOM 0 HB3 ARG A 30 5.946 6.836 -5.852 1.00 0.43 H new ATOM 0 HG2 ARG A 30 5.086 5.764 -3.891 1.00 0.49 H new ATOM 0 HG3 ARG A 30 6.342 4.726 -4.536 1.00 0.49 H new ATOM 0 HD2 ARG A 30 7.931 6.041 -2.911 1.00 0.73 H new ATOM 0 HD3 ARG A 30 6.449 6.529 -2.113 1.00 0.73 H new ATOM 0 HE ARG A 30 6.270 3.733 -2.392 1.00 1.07 H new ATOM 0 HH11 ARG A 30 8.276 6.140 -0.768 1.00 1.25 H new ATOM 0 HH12 ARG A 30 8.797 5.029 0.503 1.00 1.25 H new ATOM 0 HH21 ARG A 30 6.980 2.283 -0.782 1.00 1.86 H new ATOM 0 HH22 ARG A 30 8.064 2.847 0.494 1.00 1.86 H new ATOM 488 N ARG A 31 8.099 7.261 -7.803 1.00 0.39 N ATOM 489 CA ARG A 31 8.140 7.041 -9.244 1.00 0.43 C ATOM 490 C ARG A 31 9.444 6.330 -9.642 1.00 0.42 C ATOM 491 O ARG A 31 9.466 5.528 -10.570 1.00 0.51 O ATOM 492 CB ARG A 31 8.014 8.393 -9.963 1.00 0.55 C ATOM 493 CG ARG A 31 7.430 8.342 -11.375 1.00 1.16 C ATOM 494 CD ARG A 31 8.384 7.715 -12.381 1.00 1.92 C ATOM 495 NE ARG A 31 8.123 8.179 -13.746 1.00 2.67 N ATOM 496 CZ ARG A 31 8.308 7.437 -14.841 1.00 3.57 C ATOM 497 NH1 ARG A 31 8.651 6.160 -14.738 1.00 3.96 N ATOM 498 NH2 ARG A 31 8.124 7.966 -16.045 1.00 4.35 N ATOM 0 H ARG A 31 8.079 8.244 -7.531 1.00 0.39 H new ATOM 0 HA ARG A 31 7.309 6.401 -9.538 1.00 0.43 H new ATOM 0 HB2 ARG A 31 7.391 9.050 -9.356 1.00 0.55 H new ATOM 0 HB3 ARG A 31 9.002 8.849 -10.015 1.00 0.55 H new ATOM 0 HG2 ARG A 31 6.500 7.774 -11.359 1.00 1.16 H new ATOM 0 HG3 ARG A 31 7.181 9.353 -11.698 1.00 1.16 H new ATOM 0 HD2 ARG A 31 9.411 7.956 -12.106 1.00 1.92 H new ATOM 0 HD3 ARG A 31 8.290 6.630 -12.343 1.00 1.92 H new ATOM 0 HE ARG A 31 7.777 9.131 -13.868 1.00 2.67 H new ATOM 0 HH11 ARG A 31 8.775 5.738 -13.818 1.00 3.96 H new ATOM 0 HH12 ARG A 31 8.790 5.600 -15.579 1.00 3.96 H new ATOM 0 HH21 ARG A 31 7.841 8.942 -16.135 1.00 4.35 H new ATOM 0 HH22 ARG A 31 8.266 7.397 -16.879 1.00 4.35 H new ATOM 512 N PHE A 32 10.528 6.615 -8.927 1.00 0.39 N ATOM 513 CA PHE A 32 11.828 6.005 -9.229 1.00 0.42 C ATOM 514 C PHE A 32 12.049 4.788 -8.346 1.00 0.40 C ATOM 515 O PHE A 32 13.037 4.067 -8.495 1.00 0.47 O ATOM 516 CB PHE A 32 12.973 7.000 -9.007 1.00 0.53 C ATOM 517 CG PHE A 32 12.600 8.433 -9.250 1.00 1.08 C ATOM 518 CD1 PHE A 32 12.486 8.937 -10.536 1.00 2.08 C ATOM 519 CD2 PHE A 32 12.367 9.277 -8.180 1.00 1.15 C ATOM 520 CE1 PHE A 32 12.144 10.261 -10.745 1.00 3.15 C ATOM 521 CE2 PHE A 32 12.025 10.597 -8.380 1.00 2.18 C ATOM 522 CZ PHE A 32 11.912 11.092 -9.664 1.00 3.19 C ATOM 0 H PHE A 32 10.537 7.261 -8.137 1.00 0.39 H new ATOM 0 HA PHE A 32 11.821 5.708 -10.278 1.00 0.42 H new ATOM 0 HB2 PHE A 32 13.334 6.899 -7.983 1.00 0.53 H new ATOM 0 HB3 PHE A 32 13.801 6.736 -9.664 1.00 0.53 H new ATOM 0 HD1 PHE A 32 12.666 8.291 -11.382 1.00 2.08 H new ATOM 0 HD2 PHE A 32 12.454 8.896 -7.173 1.00 1.15 H new ATOM 0 HE1 PHE A 32 12.058 10.645 -11.751 1.00 3.15 H new ATOM 0 HE2 PHE A 32 11.846 11.243 -7.534 1.00 2.18 H new ATOM 0 HZ PHE A 32 11.643 12.126 -9.824 1.00 3.19 H new ATOM 532 N LEU A 33 11.131 4.570 -7.420 1.00 0.34 N ATOM 533 CA LEU A 33 11.144 3.367 -6.612 1.00 0.34 C ATOM 534 C LEU A 33 10.379 2.273 -7.349 1.00 0.32 C ATOM 535 O LEU A 33 10.570 1.085 -7.100 1.00 0.37 O ATOM 536 CB LEU A 33 10.534 3.634 -5.230 1.00 0.34 C ATOM 537 CG LEU A 33 11.202 4.755 -4.431 1.00 0.39 C ATOM 538 CD1 LEU A 33 10.560 4.888 -3.062 1.00 0.39 C ATOM 539 CD2 LEU A 33 12.699 4.510 -4.299 1.00 0.47 C ATOM 0 H LEU A 33 10.367 5.213 -7.210 1.00 0.34 H new ATOM 0 HA LEU A 33 12.172 3.042 -6.454 1.00 0.34 H new ATOM 0 HB2 LEU A 33 9.479 3.878 -5.357 1.00 0.34 H new ATOM 0 HB3 LEU A 33 10.581 2.715 -4.646 1.00 0.34 H new ATOM 0 HG LEU A 33 11.059 5.690 -4.972 1.00 0.39 H new ATOM 0 HD11 LEU A 33 11.048 5.690 -2.508 1.00 0.39 H new ATOM 0 HD12 LEU A 33 9.501 5.119 -3.178 1.00 0.39 H new ATOM 0 HD13 LEU A 33 10.670 3.951 -2.516 1.00 0.39 H new ATOM 0 HD21 LEU A 33 13.151 5.320 -3.727 1.00 0.47 H new ATOM 0 HD22 LEU A 33 12.869 3.564 -3.785 1.00 0.47 H new ATOM 0 HD23 LEU A 33 13.150 4.470 -5.291 1.00 0.47 H new ATOM 551 N GLU A 34 9.522 2.707 -8.277 1.00 0.30 N ATOM 552 CA GLU A 34 8.801 1.806 -9.178 1.00 0.29 C ATOM 553 C GLU A 34 9.704 0.742 -9.797 1.00 0.32 C ATOM 554 O GLU A 34 9.391 -0.442 -9.711 1.00 0.32 O ATOM 555 CB GLU A 34 8.142 2.594 -10.305 1.00 0.31 C ATOM 556 CG GLU A 34 6.816 3.202 -9.942 1.00 0.35 C ATOM 557 CD GLU A 34 6.316 4.157 -11.000 1.00 0.52 C ATOM 558 OE1 GLU A 34 6.363 3.808 -12.198 1.00 0.82 O ATOM 559 OE2 GLU A 34 5.872 5.261 -10.641 1.00 0.67 O ATOM 0 H GLU A 34 9.309 3.694 -8.424 1.00 0.30 H new ATOM 0 HA GLU A 34 8.050 1.304 -8.568 1.00 0.29 H new ATOM 0 HB2 GLU A 34 8.818 3.388 -10.621 1.00 0.31 H new ATOM 0 HB3 GLU A 34 8.004 1.934 -11.161 1.00 0.31 H new ATOM 0 HG2 GLU A 34 6.083 2.409 -9.795 1.00 0.35 H new ATOM 0 HG3 GLU A 34 6.908 3.730 -8.993 1.00 0.35 H new ATOM 566 N PRO A 35 10.832 1.132 -10.438 1.00 0.35 N ATOM 567 CA PRO A 35 11.710 0.173 -11.105 1.00 0.37 C ATOM 568 C PRO A 35 12.173 -0.963 -10.185 1.00 0.36 C ATOM 569 O PRO A 35 12.424 -2.082 -10.638 1.00 0.38 O ATOM 570 CB PRO A 35 12.906 1.017 -11.551 1.00 0.45 C ATOM 571 CG PRO A 35 12.368 2.395 -11.676 1.00 0.51 C ATOM 572 CD PRO A 35 11.316 2.517 -10.615 1.00 0.38 C ATOM 0 HA PRO A 35 11.193 -0.327 -11.924 1.00 0.37 H new ATOM 0 HB2 PRO A 35 13.716 0.972 -10.823 1.00 0.45 H new ATOM 0 HB3 PRO A 35 13.310 0.662 -12.499 1.00 0.45 H new ATOM 0 HG2 PRO A 35 13.154 3.137 -11.535 1.00 0.51 H new ATOM 0 HG3 PRO A 35 11.946 2.562 -12.667 1.00 0.51 H new ATOM 0 HD2 PRO A 35 11.727 2.919 -9.689 1.00 0.38 H new ATOM 0 HD3 PRO A 35 10.512 3.185 -10.924 1.00 0.38 H new ATOM 580 N PHE A 36 12.283 -0.666 -8.898 1.00 0.35 N ATOM 581 CA PHE A 36 12.717 -1.655 -7.916 1.00 0.38 C ATOM 582 C PHE A 36 11.535 -2.487 -7.421 1.00 0.34 C ATOM 583 O PHE A 36 11.692 -3.647 -7.038 1.00 0.43 O ATOM 584 CB PHE A 36 13.413 -0.956 -6.741 1.00 0.46 C ATOM 585 CG PHE A 36 14.027 -1.899 -5.742 1.00 0.52 C ATOM 586 CD1 PHE A 36 15.196 -2.581 -6.040 1.00 0.62 C ATOM 587 CD2 PHE A 36 13.436 -2.100 -4.505 1.00 0.64 C ATOM 588 CE1 PHE A 36 15.762 -3.447 -5.123 1.00 0.69 C ATOM 589 CE2 PHE A 36 13.998 -2.964 -3.584 1.00 0.72 C ATOM 590 CZ PHE A 36 15.162 -3.638 -3.893 1.00 0.70 C ATOM 0 H PHE A 36 12.078 0.253 -8.507 1.00 0.35 H new ATOM 0 HA PHE A 36 13.426 -2.331 -8.395 1.00 0.38 H new ATOM 0 HB2 PHE A 36 14.191 -0.300 -7.132 1.00 0.46 H new ATOM 0 HB3 PHE A 36 12.689 -0.322 -6.229 1.00 0.46 H new ATOM 0 HD1 PHE A 36 15.670 -2.434 -6.999 1.00 0.62 H new ATOM 0 HD2 PHE A 36 12.525 -1.575 -4.257 1.00 0.64 H new ATOM 0 HE1 PHE A 36 16.672 -3.974 -5.368 1.00 0.69 H new ATOM 0 HE2 PHE A 36 13.527 -3.111 -2.624 1.00 0.72 H new ATOM 0 HZ PHE A 36 15.603 -4.313 -3.175 1.00 0.70 H new ATOM 600 N LEU A 37 10.356 -1.888 -7.461 1.00 0.27 N ATOM 601 CA LEU A 37 9.152 -2.493 -6.900 1.00 0.26 C ATOM 602 C LEU A 37 8.390 -3.316 -7.936 1.00 0.25 C ATOM 603 O LEU A 37 7.539 -4.126 -7.586 1.00 0.30 O ATOM 604 CB LEU A 37 8.237 -1.397 -6.344 1.00 0.30 C ATOM 605 CG LEU A 37 8.543 -0.908 -4.919 1.00 0.39 C ATOM 606 CD1 LEU A 37 10.038 -0.851 -4.642 1.00 0.68 C ATOM 607 CD2 LEU A 37 7.934 0.464 -4.716 1.00 0.99 C ATOM 0 H LEU A 37 10.203 -0.971 -7.881 1.00 0.27 H new ATOM 0 HA LEU A 37 9.462 -3.167 -6.101 1.00 0.26 H new ATOM 0 HB2 LEU A 37 8.283 -0.540 -7.016 1.00 0.30 H new ATOM 0 HB3 LEU A 37 7.211 -1.765 -6.366 1.00 0.30 H new ATOM 0 HG LEU A 37 8.107 -1.623 -4.221 1.00 0.39 H new ATOM 0 HD11 LEU A 37 10.206 -0.500 -3.624 1.00 0.68 H new ATOM 0 HD12 LEU A 37 10.468 -1.846 -4.759 1.00 0.68 H new ATOM 0 HD13 LEU A 37 10.512 -0.166 -5.345 1.00 0.68 H new ATOM 0 HD21 LEU A 37 8.150 0.812 -3.706 1.00 0.99 H new ATOM 0 HD22 LEU A 37 8.358 1.161 -5.439 1.00 0.99 H new ATOM 0 HD23 LEU A 37 6.855 0.407 -4.857 1.00 0.99 H new ATOM 619 N ARG A 38 8.684 -3.095 -9.209 1.00 0.24 N ATOM 620 CA ARG A 38 7.997 -3.811 -10.277 1.00 0.27 C ATOM 621 C ARG A 38 8.240 -5.308 -10.200 1.00 0.25 C ATOM 622 O ARG A 38 9.384 -5.765 -10.130 1.00 0.36 O ATOM 623 CB ARG A 38 8.438 -3.309 -11.645 1.00 0.33 C ATOM 624 CG ARG A 38 7.762 -2.020 -12.075 1.00 1.01 C ATOM 625 CD ARG A 38 8.213 -1.612 -13.466 1.00 1.12 C ATOM 626 NE ARG A 38 8.148 -2.737 -14.400 1.00 1.86 N ATOM 627 CZ ARG A 38 9.168 -3.136 -15.156 1.00 2.37 C ATOM 628 NH1 ARG A 38 10.307 -2.455 -15.149 1.00 2.26 N ATOM 629 NH2 ARG A 38 9.041 -4.209 -15.929 1.00 3.39 N ATOM 0 H ARG A 38 9.389 -2.430 -9.528 1.00 0.24 H new ATOM 0 HA ARG A 38 6.932 -3.620 -10.144 1.00 0.27 H new ATOM 0 HB2 ARG A 38 9.517 -3.156 -11.634 1.00 0.33 H new ATOM 0 HB3 ARG A 38 8.233 -4.080 -12.387 1.00 0.33 H new ATOM 0 HG2 ARG A 38 6.680 -2.150 -12.062 1.00 1.01 H new ATOM 0 HG3 ARG A 38 7.996 -1.227 -11.365 1.00 1.01 H new ATOM 0 HD2 ARG A 38 7.585 -0.799 -13.830 1.00 1.12 H new ATOM 0 HD3 ARG A 38 9.234 -1.232 -13.422 1.00 1.12 H new ATOM 0 HE ARG A 38 7.267 -3.246 -14.476 1.00 1.86 H new ATOM 0 HH11 ARG A 38 10.401 -1.625 -14.564 1.00 2.26 H new ATOM 0 HH12 ARG A 38 11.088 -2.762 -15.729 1.00 2.26 H new ATOM 0 HH21 ARG A 38 8.162 -4.726 -15.943 1.00 3.39 H new ATOM 0 HH22 ARG A 38 9.822 -4.515 -16.509 1.00 3.39 H new ATOM 643 N GLY A 39 7.155 -6.063 -10.204 1.00 0.19 N ATOM 644 CA GLY A 39 7.249 -7.500 -10.281 1.00 0.23 C ATOM 645 C GLY A 39 7.579 -8.143 -8.954 1.00 0.22 C ATOM 646 O GLY A 39 8.357 -9.095 -8.898 1.00 0.30 O ATOM 0 H GLY A 39 6.203 -5.700 -10.155 1.00 0.19 H new ATOM 0 HA2 GLY A 39 6.304 -7.901 -10.648 1.00 0.23 H new ATOM 0 HA3 GLY A 39 8.014 -7.770 -11.009 1.00 0.23 H new ATOM 650 N ILE A 40 6.988 -7.634 -7.883 1.00 0.18 N ATOM 651 CA ILE A 40 7.196 -8.221 -6.555 1.00 0.19 C ATOM 652 C ILE A 40 5.889 -8.798 -6.039 1.00 0.20 C ATOM 653 O ILE A 40 4.836 -8.524 -6.597 1.00 0.23 O ATOM 654 CB ILE A 40 7.739 -7.203 -5.514 1.00 0.21 C ATOM 655 CG1 ILE A 40 6.772 -6.027 -5.357 1.00 0.20 C ATOM 656 CG2 ILE A 40 9.131 -6.712 -5.898 1.00 0.23 C ATOM 657 CD1 ILE A 40 7.177 -5.019 -4.299 1.00 0.20 C ATOM 0 H ILE A 40 6.367 -6.825 -7.899 1.00 0.18 H new ATOM 0 HA ILE A 40 7.949 -9.000 -6.675 1.00 0.19 H new ATOM 0 HB ILE A 40 7.819 -7.713 -4.554 1.00 0.21 H new ATOM 0 HG12 ILE A 40 6.684 -5.514 -6.315 1.00 0.20 H new ATOM 0 HG13 ILE A 40 5.784 -6.416 -5.112 1.00 0.20 H new ATOM 0 HG21 ILE A 40 9.485 -6.001 -5.151 1.00 0.23 H new ATOM 0 HG22 ILE A 40 9.815 -7.559 -5.946 1.00 0.23 H new ATOM 0 HG23 ILE A 40 9.089 -6.224 -6.872 1.00 0.23 H new ATOM 0 HD11 ILE A 40 6.437 -4.220 -4.255 1.00 0.20 H new ATOM 0 HD12 ILE A 40 7.236 -5.513 -3.329 1.00 0.20 H new ATOM 0 HD13 ILE A 40 8.150 -4.598 -4.551 1.00 0.20 H new ATOM 669 N ASN A 41 5.942 -9.617 -5.004 1.00 0.25 N ATOM 670 CA ASN A 41 4.719 -10.058 -4.351 1.00 0.25 C ATOM 671 C ASN A 41 4.685 -9.539 -2.924 1.00 0.25 C ATOM 672 O ASN A 41 5.604 -9.776 -2.136 1.00 0.38 O ATOM 673 CB ASN A 41 4.545 -11.588 -4.384 1.00 0.39 C ATOM 674 CG ASN A 41 5.599 -12.360 -3.605 1.00 1.43 C ATOM 675 OD1 ASN A 41 6.765 -11.982 -3.559 1.00 2.29 O ATOM 676 ND2 ASN A 41 5.185 -13.458 -2.990 1.00 2.16 N ATOM 0 H ASN A 41 6.803 -9.986 -4.601 1.00 0.25 H new ATOM 0 HA ASN A 41 3.880 -9.643 -4.909 1.00 0.25 H new ATOM 0 HB2 ASN A 41 3.562 -11.838 -3.986 1.00 0.39 H new ATOM 0 HB3 ASN A 41 4.562 -11.921 -5.422 1.00 0.39 H new ATOM 0 HD21 ASN A 41 5.845 -14.022 -2.454 1.00 2.16 H new ATOM 0 HD22 ASN A 41 4.207 -13.739 -3.052 1.00 2.16 H new ATOM 683 N VAL A 42 3.639 -8.802 -2.601 1.00 0.19 N ATOM 684 CA VAL A 42 3.520 -8.214 -1.285 1.00 0.20 C ATOM 685 C VAL A 42 2.295 -8.743 -0.571 1.00 0.18 C ATOM 686 O VAL A 42 1.211 -8.829 -1.146 1.00 0.19 O ATOM 687 CB VAL A 42 3.452 -6.672 -1.335 1.00 0.25 C ATOM 688 CG1 VAL A 42 4.770 -6.089 -1.819 1.00 0.31 C ATOM 689 CG2 VAL A 42 2.307 -6.208 -2.221 1.00 0.27 C ATOM 0 H VAL A 42 2.863 -8.598 -3.231 1.00 0.19 H new ATOM 0 HA VAL A 42 4.419 -8.496 -0.737 1.00 0.20 H new ATOM 0 HB VAL A 42 3.268 -6.311 -0.323 1.00 0.25 H new ATOM 0 HG11 VAL A 42 4.699 -5.002 -1.846 1.00 0.31 H new ATOM 0 HG12 VAL A 42 5.570 -6.383 -1.139 1.00 0.31 H new ATOM 0 HG13 VAL A 42 4.988 -6.463 -2.819 1.00 0.31 H new ATOM 0 HG21 VAL A 42 2.280 -5.118 -2.240 1.00 0.27 H new ATOM 0 HG22 VAL A 42 2.454 -6.585 -3.233 1.00 0.27 H new ATOM 0 HG23 VAL A 42 1.365 -6.587 -1.826 1.00 0.27 H new ATOM 699 N VAL A 43 2.478 -9.107 0.677 1.00 0.18 N ATOM 700 CA VAL A 43 1.375 -9.527 1.506 1.00 0.18 C ATOM 701 C VAL A 43 0.726 -8.295 2.102 1.00 0.19 C ATOM 702 O VAL A 43 1.336 -7.596 2.913 1.00 0.29 O ATOM 703 CB VAL A 43 1.828 -10.477 2.636 1.00 0.23 C ATOM 704 CG1 VAL A 43 0.635 -10.964 3.443 1.00 0.79 C ATOM 705 CG2 VAL A 43 2.610 -11.651 2.066 1.00 0.70 C ATOM 0 H VAL A 43 3.386 -9.120 1.141 1.00 0.18 H new ATOM 0 HA VAL A 43 0.667 -10.077 0.887 1.00 0.18 H new ATOM 0 HB VAL A 43 2.485 -9.922 3.306 1.00 0.23 H new ATOM 0 HG11 VAL A 43 0.978 -11.632 4.233 1.00 0.79 H new ATOM 0 HG12 VAL A 43 0.123 -10.110 3.887 1.00 0.79 H new ATOM 0 HG13 VAL A 43 -0.053 -11.500 2.789 1.00 0.79 H new ATOM 0 HG21 VAL A 43 2.921 -12.309 2.877 1.00 0.70 H new ATOM 0 HG22 VAL A 43 1.979 -12.205 1.370 1.00 0.70 H new ATOM 0 HG23 VAL A 43 3.491 -11.281 1.541 1.00 0.70 H new ATOM 715 N TYR A 44 -0.483 -8.003 1.665 1.00 0.15 N ATOM 716 CA TYR A 44 -1.207 -6.869 2.186 1.00 0.19 C ATOM 717 C TYR A 44 -1.812 -7.230 3.529 1.00 0.21 C ATOM 718 O TYR A 44 -2.688 -8.092 3.618 1.00 0.29 O ATOM 719 CB TYR A 44 -2.294 -6.415 1.210 1.00 0.24 C ATOM 720 CG TYR A 44 -3.204 -5.359 1.791 1.00 0.29 C ATOM 721 CD1 TYR A 44 -2.803 -4.034 1.868 1.00 0.35 C ATOM 722 CD2 TYR A 44 -4.455 -5.697 2.283 1.00 0.38 C ATOM 723 CE1 TYR A 44 -3.628 -3.071 2.417 1.00 0.41 C ATOM 724 CE2 TYR A 44 -5.283 -4.744 2.839 1.00 0.44 C ATOM 725 CZ TYR A 44 -4.868 -3.433 2.904 1.00 0.42 C ATOM 726 OH TYR A 44 -5.691 -2.483 3.460 1.00 0.50 O ATOM 0 H TYR A 44 -0.981 -8.536 0.952 1.00 0.15 H new ATOM 0 HA TYR A 44 -0.513 -6.038 2.316 1.00 0.19 H new ATOM 0 HB2 TYR A 44 -1.824 -6.025 0.307 1.00 0.24 H new ATOM 0 HB3 TYR A 44 -2.891 -7.277 0.912 1.00 0.24 H new ATOM 0 HD1 TYR A 44 -1.831 -3.750 1.493 1.00 0.35 H new ATOM 0 HD2 TYR A 44 -4.787 -6.723 2.230 1.00 0.38 H new ATOM 0 HE1 TYR A 44 -3.305 -2.042 2.465 1.00 0.41 H new ATOM 0 HE2 TYR A 44 -6.253 -5.025 3.222 1.00 0.44 H new ATOM 0 HH TYR A 44 -5.600 -1.642 2.965 1.00 0.50 H new ATOM 736 N THR A 45 -1.317 -6.587 4.568 1.00 0.23 N ATOM 737 CA THR A 45 -1.800 -6.826 5.911 1.00 0.29 C ATOM 738 C THR A 45 -2.773 -5.733 6.329 1.00 0.27 C ATOM 739 O THR A 45 -2.367 -4.598 6.592 1.00 0.30 O ATOM 740 CB THR A 45 -0.631 -6.891 6.914 1.00 0.39 C ATOM 741 OG1 THR A 45 0.217 -5.743 6.760 1.00 1.25 O ATOM 742 CG2 THR A 45 0.184 -8.159 6.712 1.00 1.13 C ATOM 0 H THR A 45 -0.575 -5.890 4.505 1.00 0.23 H new ATOM 0 HA THR A 45 -2.317 -7.786 5.914 1.00 0.29 H new ATOM 0 HB THR A 45 -1.048 -6.900 7.921 1.00 0.39 H new ATOM 0 HG1 THR A 45 -0.332 -4.931 6.742 1.00 1.25 H new ATOM 0 HG21 THR A 45 1.003 -8.183 7.431 1.00 1.13 H new ATOM 0 HG22 THR A 45 -0.455 -9.030 6.860 1.00 1.13 H new ATOM 0 HG23 THR A 45 0.589 -8.174 5.700 1.00 1.13 H new ATOM 750 N PRO A 46 -4.074 -6.052 6.363 1.00 0.30 N ATOM 751 CA PRO A 46 -5.100 -5.114 6.812 1.00 0.33 C ATOM 752 C PRO A 46 -4.892 -4.735 8.273 1.00 0.32 C ATOM 753 O PRO A 46 -4.733 -5.606 9.128 1.00 0.35 O ATOM 754 CB PRO A 46 -6.410 -5.890 6.638 1.00 0.40 C ATOM 755 CG PRO A 46 -6.082 -6.998 5.699 1.00 0.43 C ATOM 756 CD PRO A 46 -4.648 -7.343 5.968 1.00 0.38 C ATOM 0 HA PRO A 46 -5.083 -4.179 6.253 1.00 0.33 H new ATOM 0 HB2 PRO A 46 -6.770 -6.275 7.592 1.00 0.40 H new ATOM 0 HB3 PRO A 46 -7.196 -5.251 6.235 1.00 0.40 H new ATOM 0 HG2 PRO A 46 -6.730 -7.858 5.866 1.00 0.43 H new ATOM 0 HG3 PRO A 46 -6.223 -6.689 4.663 1.00 0.43 H new ATOM 0 HD2 PRO A 46 -4.552 -8.088 6.758 1.00 0.38 H new ATOM 0 HD3 PRO A 46 -4.157 -7.751 5.084 1.00 0.38 H new ATOM 764 N PRO A 47 -4.869 -3.423 8.561 1.00 0.33 N ATOM 765 CA PRO A 47 -4.657 -2.898 9.914 1.00 0.37 C ATOM 766 C PRO A 47 -5.574 -3.544 10.945 1.00 0.40 C ATOM 767 O PRO A 47 -6.659 -4.030 10.625 1.00 0.41 O ATOM 768 CB PRO A 47 -4.987 -1.411 9.766 1.00 0.37 C ATOM 769 CG PRO A 47 -4.699 -1.104 8.342 1.00 0.48 C ATOM 770 CD PRO A 47 -5.038 -2.347 7.571 1.00 0.35 C ATOM 0 HA PRO A 47 -3.647 -3.097 10.273 1.00 0.37 H new ATOM 0 HB2 PRO A 47 -6.030 -1.210 10.012 1.00 0.37 H new ATOM 0 HB3 PRO A 47 -4.379 -0.801 10.434 1.00 0.37 H new ATOM 0 HG2 PRO A 47 -5.294 -0.258 7.998 1.00 0.48 H new ATOM 0 HG3 PRO A 47 -3.652 -0.834 8.206 1.00 0.48 H new ATOM 0 HD2 PRO A 47 -6.057 -2.314 7.184 1.00 0.35 H new ATOM 0 HD3 PRO A 47 -4.376 -2.481 6.715 1.00 0.35 H new ATOM 778 N GLN A 48 -5.120 -3.517 12.195 1.00 0.52 N ATOM 779 CA GLN A 48 -5.795 -4.190 13.305 1.00 0.63 C ATOM 780 C GLN A 48 -7.248 -3.744 13.459 1.00 0.57 C ATOM 781 O GLN A 48 -8.068 -4.472 14.012 1.00 0.68 O ATOM 782 CB GLN A 48 -5.042 -3.926 14.607 1.00 0.83 C ATOM 783 CG GLN A 48 -4.862 -2.448 14.907 1.00 0.89 C ATOM 784 CD GLN A 48 -4.215 -2.192 16.253 1.00 1.22 C ATOM 785 OE1 GLN A 48 -3.366 -3.108 16.692 1.00 1.54 O flip ATOM 786 NE2 GLN A 48 -4.480 -1.173 16.893 1.00 1.92 N flip ATOM 0 H GLN A 48 -4.269 -3.026 12.470 1.00 0.52 H new ATOM 0 HA GLN A 48 -5.799 -5.257 13.080 1.00 0.63 H new ATOM 0 HB2 GLN A 48 -5.580 -4.394 15.431 1.00 0.83 H new ATOM 0 HB3 GLN A 48 -4.062 -4.401 14.555 1.00 0.83 H new ATOM 0 HG2 GLN A 48 -4.252 -1.996 14.125 1.00 0.89 H new ATOM 0 HG3 GLN A 48 -5.834 -1.956 14.878 1.00 0.89 H new ATOM 0 HE21 GLN A 48 -5.140 -0.492 16.518 1.00 1.92 H new ATOM 0 HE22 GLN A 48 -4.039 -1.010 17.798 1.00 1.92 H new ATOM 795 N SER A 49 -7.553 -2.554 12.965 1.00 0.49 N ATOM 796 CA SER A 49 -8.891 -1.999 13.069 1.00 0.51 C ATOM 797 C SER A 49 -9.816 -2.570 11.984 1.00 0.51 C ATOM 798 O SER A 49 -11.031 -2.371 12.020 1.00 0.59 O ATOM 799 CB SER A 49 -8.809 -0.478 12.950 1.00 0.56 C ATOM 800 OG SER A 49 -7.862 0.062 13.861 1.00 1.58 O ATOM 0 H SER A 49 -6.885 -1.951 12.485 1.00 0.49 H new ATOM 0 HA SER A 49 -9.312 -2.272 14.036 1.00 0.51 H new ATOM 0 HB2 SER A 49 -8.533 -0.205 11.931 1.00 0.56 H new ATOM 0 HB3 SER A 49 -9.790 -0.043 13.142 1.00 0.56 H new ATOM 0 HG SER A 49 -7.761 1.023 13.697 1.00 1.58 H new ATOM 806 N PHE A 50 -9.235 -3.285 11.028 1.00 0.47 N ATOM 807 CA PHE A 50 -9.997 -3.864 9.921 1.00 0.51 C ATOM 808 C PHE A 50 -10.456 -5.275 10.258 1.00 0.58 C ATOM 809 O PHE A 50 -11.584 -5.655 9.936 1.00 0.67 O ATOM 810 CB PHE A 50 -9.148 -3.914 8.647 1.00 0.49 C ATOM 811 CG PHE A 50 -8.918 -2.584 7.993 1.00 0.50 C ATOM 812 CD1 PHE A 50 -8.341 -1.538 8.690 1.00 0.50 C ATOM 813 CD2 PHE A 50 -9.261 -2.394 6.667 1.00 0.69 C ATOM 814 CE1 PHE A 50 -8.113 -0.324 8.077 1.00 0.57 C ATOM 815 CE2 PHE A 50 -9.038 -1.181 6.048 1.00 0.76 C ATOM 816 CZ PHE A 50 -8.461 -0.145 6.754 1.00 0.65 C ATOM 0 H PHE A 50 -8.234 -3.480 10.995 1.00 0.47 H new ATOM 0 HA PHE A 50 -10.867 -3.229 9.756 1.00 0.51 H new ATOM 0 HB2 PHE A 50 -8.182 -4.357 8.888 1.00 0.49 H new ATOM 0 HB3 PHE A 50 -9.632 -4.577 7.930 1.00 0.49 H new ATOM 0 HD1 PHE A 50 -8.066 -1.673 9.726 1.00 0.50 H new ATOM 0 HD2 PHE A 50 -9.708 -3.204 6.110 1.00 0.69 H new ATOM 0 HE1 PHE A 50 -7.663 0.486 8.632 1.00 0.57 H new ATOM 0 HE2 PHE A 50 -9.314 -1.043 5.013 1.00 0.76 H new ATOM 0 HZ PHE A 50 -8.282 0.805 6.272 1.00 0.65 H new ATOM 826 N GLN A 51 -9.578 -6.045 10.902 1.00 0.58 N ATOM 827 CA GLN A 51 -9.844 -7.453 11.192 1.00 0.67 C ATOM 828 C GLN A 51 -10.160 -8.215 9.907 1.00 0.65 C ATOM 829 O GLN A 51 -11.102 -9.009 9.849 1.00 0.88 O ATOM 830 CB GLN A 51 -10.991 -7.597 12.194 1.00 0.82 C ATOM 831 CG GLN A 51 -10.661 -7.040 13.565 1.00 0.94 C ATOM 832 CD GLN A 51 -11.810 -7.183 14.538 1.00 1.28 C ATOM 833 OE1 GLN A 51 -12.638 -6.281 14.673 1.00 1.77 O ATOM 834 NE2 GLN A 51 -11.880 -8.319 15.210 1.00 1.99 N ATOM 0 H GLN A 51 -8.672 -5.714 11.234 1.00 0.58 H new ATOM 0 HA GLN A 51 -8.946 -7.882 11.638 1.00 0.67 H new ATOM 0 HB2 GLN A 51 -11.872 -7.086 11.804 1.00 0.82 H new ATOM 0 HB3 GLN A 51 -11.250 -8.651 12.290 1.00 0.82 H new ATOM 0 HG2 GLN A 51 -9.786 -7.555 13.962 1.00 0.94 H new ATOM 0 HG3 GLN A 51 -10.396 -5.987 13.472 1.00 0.94 H new ATOM 0 HE21 GLN A 51 -11.173 -9.040 15.068 1.00 1.99 H new ATOM 0 HE22 GLN A 51 -12.641 -8.475 15.871 1.00 1.99 H new ATOM 843 N SER A 52 -9.374 -7.951 8.873 1.00 0.51 N ATOM 844 CA SER A 52 -9.549 -8.603 7.587 1.00 0.51 C ATOM 845 C SER A 52 -8.360 -9.522 7.303 1.00 0.43 C ATOM 846 O SER A 52 -7.257 -9.292 7.803 1.00 0.44 O ATOM 847 CB SER A 52 -9.692 -7.545 6.488 1.00 0.53 C ATOM 848 OG SER A 52 -10.747 -6.643 6.789 1.00 1.35 O ATOM 0 H SER A 52 -8.603 -7.284 8.903 1.00 0.51 H new ATOM 0 HA SER A 52 -10.455 -9.209 7.607 1.00 0.51 H new ATOM 0 HB2 SER A 52 -8.757 -6.995 6.383 1.00 0.53 H new ATOM 0 HB3 SER A 52 -9.885 -8.031 5.532 1.00 0.53 H new ATOM 0 HG SER A 52 -10.820 -5.975 6.076 1.00 1.35 H new ATOM 854 N ALA A 53 -8.599 -10.570 6.526 1.00 0.46 N ATOM 855 CA ALA A 53 -7.561 -11.542 6.201 1.00 0.43 C ATOM 856 C ALA A 53 -6.547 -10.958 5.221 1.00 0.36 C ATOM 857 O ALA A 53 -6.922 -10.375 4.205 1.00 0.38 O ATOM 858 CB ALA A 53 -8.190 -12.802 5.629 1.00 0.50 C ATOM 0 H ALA A 53 -9.507 -10.770 6.107 1.00 0.46 H new ATOM 0 HA ALA A 53 -7.029 -11.796 7.118 1.00 0.43 H new ATOM 0 HB1 ALA A 53 -7.408 -13.522 5.389 1.00 0.50 H new ATOM 0 HB2 ALA A 53 -8.869 -13.235 6.363 1.00 0.50 H new ATOM 0 HB3 ALA A 53 -8.744 -12.553 4.724 1.00 0.50 H new ATOM 864 N PRO A 54 -5.246 -11.101 5.529 1.00 0.33 N ATOM 865 CA PRO A 54 -4.161 -10.610 4.676 1.00 0.30 C ATOM 866 C PRO A 54 -4.053 -11.401 3.375 1.00 0.28 C ATOM 867 O PRO A 54 -4.130 -12.633 3.377 1.00 0.29 O ATOM 868 CB PRO A 54 -2.899 -10.806 5.532 1.00 0.35 C ATOM 869 CG PRO A 54 -3.393 -11.089 6.911 1.00 0.56 C ATOM 870 CD PRO A 54 -4.725 -11.752 6.737 1.00 0.39 C ATOM 0 HA PRO A 54 -4.320 -9.575 4.373 1.00 0.30 H new ATOM 0 HB2 PRO A 54 -2.293 -11.630 5.155 1.00 0.35 H new ATOM 0 HB3 PRO A 54 -2.271 -9.915 5.515 1.00 0.35 H new ATOM 0 HG2 PRO A 54 -2.701 -11.736 7.450 1.00 0.56 H new ATOM 0 HG3 PRO A 54 -3.486 -10.170 7.490 1.00 0.56 H new ATOM 0 HD2 PRO A 54 -4.628 -12.830 6.608 1.00 0.39 H new ATOM 0 HD3 PRO A 54 -5.374 -11.591 7.597 1.00 0.39 H new ATOM 878 N ARG A 55 -3.870 -10.689 2.272 1.00 0.27 N ATOM 879 CA ARG A 55 -3.790 -11.313 0.956 1.00 0.30 C ATOM 880 C ARG A 55 -2.583 -10.780 0.191 1.00 0.24 C ATOM 881 O ARG A 55 -2.296 -9.583 0.230 1.00 0.20 O ATOM 882 CB ARG A 55 -5.074 -11.038 0.169 1.00 0.41 C ATOM 883 CG ARG A 55 -5.101 -11.677 -1.210 1.00 0.52 C ATOM 884 CD ARG A 55 -6.357 -11.297 -1.978 1.00 0.82 C ATOM 885 NE ARG A 55 -7.574 -11.798 -1.338 1.00 1.64 N ATOM 886 CZ ARG A 55 -8.681 -11.075 -1.166 1.00 2.46 C ATOM 887 NH1 ARG A 55 -8.721 -9.806 -1.553 1.00 2.66 N ATOM 888 NH2 ARG A 55 -9.747 -11.627 -0.603 1.00 3.34 N ATOM 0 H ARG A 55 -3.774 -9.674 2.261 1.00 0.27 H new ATOM 0 HA ARG A 55 -3.675 -12.389 1.084 1.00 0.30 H new ATOM 0 HB2 ARG A 55 -5.926 -11.402 0.744 1.00 0.41 H new ATOM 0 HB3 ARG A 55 -5.199 -9.960 0.062 1.00 0.41 H new ATOM 0 HG2 ARG A 55 -4.221 -11.366 -1.773 1.00 0.52 H new ATOM 0 HG3 ARG A 55 -5.049 -12.761 -1.110 1.00 0.52 H new ATOM 0 HD2 ARG A 55 -6.414 -10.212 -2.062 1.00 0.82 H new ATOM 0 HD3 ARG A 55 -6.294 -11.692 -2.992 1.00 0.82 H new ATOM 0 HE ARG A 55 -7.575 -12.761 -1.002 1.00 1.64 H new ATOM 0 HH11 ARG A 55 -7.902 -9.378 -1.985 1.00 2.66 H new ATOM 0 HH12 ARG A 55 -9.571 -9.258 -1.419 1.00 2.66 H new ATOM 0 HH21 ARG A 55 -9.718 -12.602 -0.303 1.00 3.34 H new ATOM 0 HH22 ARG A 55 -10.596 -11.077 -0.470 1.00 3.34 H new ATOM 902 N VAL A 56 -1.874 -11.665 -0.493 1.00 0.27 N ATOM 903 CA VAL A 56 -0.706 -11.269 -1.263 1.00 0.25 C ATOM 904 C VAL A 56 -1.112 -10.798 -2.663 1.00 0.25 C ATOM 905 O VAL A 56 -1.995 -11.380 -3.298 1.00 0.31 O ATOM 906 CB VAL A 56 0.329 -12.425 -1.362 1.00 0.32 C ATOM 907 CG1 VAL A 56 -0.238 -13.616 -2.124 1.00 1.22 C ATOM 908 CG2 VAL A 56 1.622 -11.948 -2.008 1.00 1.18 C ATOM 0 H VAL A 56 -2.087 -12.662 -0.530 1.00 0.27 H new ATOM 0 HA VAL A 56 -0.234 -10.439 -0.738 1.00 0.25 H new ATOM 0 HB VAL A 56 0.551 -12.750 -0.346 1.00 0.32 H new ATOM 0 HG11 VAL A 56 0.511 -14.406 -2.175 1.00 1.22 H new ATOM 0 HG12 VAL A 56 -1.124 -13.989 -1.610 1.00 1.22 H new ATOM 0 HG13 VAL A 56 -0.508 -13.307 -3.134 1.00 1.22 H new ATOM 0 HG21 VAL A 56 2.328 -12.777 -2.064 1.00 1.18 H new ATOM 0 HG22 VAL A 56 1.413 -11.580 -3.013 1.00 1.18 H new ATOM 0 HG23 VAL A 56 2.053 -11.145 -1.410 1.00 1.18 H new ATOM 918 N TYR A 57 -0.482 -9.732 -3.128 1.00 0.20 N ATOM 919 CA TYR A 57 -0.758 -9.192 -4.447 1.00 0.20 C ATOM 920 C TYR A 57 0.532 -9.040 -5.237 1.00 0.19 C ATOM 921 O TYR A 57 1.563 -8.646 -4.687 1.00 0.21 O ATOM 922 CB TYR A 57 -1.461 -7.835 -4.345 1.00 0.20 C ATOM 923 CG TYR A 57 -2.915 -7.905 -3.926 1.00 0.27 C ATOM 924 CD1 TYR A 57 -3.902 -8.268 -4.836 1.00 0.36 C ATOM 925 CD2 TYR A 57 -3.304 -7.594 -2.628 1.00 0.36 C ATOM 926 CE1 TYR A 57 -5.233 -8.320 -4.468 1.00 0.45 C ATOM 927 CE2 TYR A 57 -4.635 -7.639 -2.252 1.00 0.45 C ATOM 928 CZ TYR A 57 -5.595 -8.003 -3.174 1.00 0.46 C ATOM 929 OH TYR A 57 -6.921 -8.049 -2.802 1.00 0.57 O ATOM 0 H TYR A 57 0.230 -9.221 -2.606 1.00 0.20 H new ATOM 0 HA TYR A 57 -1.417 -9.890 -4.965 1.00 0.20 H new ATOM 0 HB2 TYR A 57 -0.921 -7.214 -3.630 1.00 0.20 H new ATOM 0 HB3 TYR A 57 -1.399 -7.336 -5.312 1.00 0.20 H new ATOM 0 HD1 TYR A 57 -3.623 -8.514 -5.850 1.00 0.36 H new ATOM 0 HD2 TYR A 57 -2.556 -7.313 -1.902 1.00 0.36 H new ATOM 0 HE1 TYR A 57 -5.985 -8.607 -5.188 1.00 0.45 H new ATOM 0 HE2 TYR A 57 -4.921 -7.390 -1.241 1.00 0.45 H new ATOM 0 HH TYR A 57 -7.467 -8.321 -3.569 1.00 0.57 H new ATOM 939 N ARG A 58 0.476 -9.375 -6.518 1.00 0.23 N ATOM 940 CA ARG A 58 1.611 -9.171 -7.404 1.00 0.27 C ATOM 941 C ARG A 58 1.686 -7.705 -7.800 1.00 0.25 C ATOM 942 O ARG A 58 0.796 -7.190 -8.472 1.00 0.37 O ATOM 943 CB ARG A 58 1.495 -10.047 -8.658 1.00 0.40 C ATOM 944 CG ARG A 58 2.684 -9.939 -9.614 1.00 0.57 C ATOM 945 CD ARG A 58 3.959 -10.494 -8.994 1.00 1.11 C ATOM 946 NE ARG A 58 3.824 -11.899 -8.611 1.00 1.96 N ATOM 947 CZ ARG A 58 4.743 -12.571 -7.918 1.00 2.71 C ATOM 948 NH1 ARG A 58 5.884 -11.985 -7.572 1.00 2.90 N ATOM 949 NH2 ARG A 58 4.526 -13.832 -7.574 1.00 3.71 N ATOM 0 H ARG A 58 -0.342 -9.788 -6.966 1.00 0.23 H new ATOM 0 HA ARG A 58 2.521 -9.456 -6.876 1.00 0.27 H new ATOM 0 HB2 ARG A 58 1.384 -11.087 -8.351 1.00 0.40 H new ATOM 0 HB3 ARG A 58 0.586 -9.774 -9.195 1.00 0.40 H new ATOM 0 HG2 ARG A 58 2.461 -10.480 -10.534 1.00 0.57 H new ATOM 0 HG3 ARG A 58 2.837 -8.895 -9.887 1.00 0.57 H new ATOM 0 HD2 ARG A 58 4.780 -10.390 -9.703 1.00 1.11 H new ATOM 0 HD3 ARG A 58 4.220 -9.904 -8.116 1.00 1.11 H new ATOM 0 HE ARG A 58 2.977 -12.394 -8.891 1.00 1.96 H new ATOM 0 HH11 ARG A 58 6.060 -11.016 -7.837 1.00 2.90 H new ATOM 0 HH12 ARG A 58 6.584 -12.504 -7.042 1.00 2.90 H new ATOM 0 HH21 ARG A 58 3.654 -14.290 -7.840 1.00 3.71 H new ATOM 0 HH22 ARG A 58 5.231 -14.344 -7.044 1.00 3.71 H new ATOM 963 N VAL A 59 2.735 -7.038 -7.354 1.00 0.19 N ATOM 964 CA VAL A 59 2.954 -5.650 -7.698 1.00 0.17 C ATOM 965 C VAL A 59 3.414 -5.532 -9.132 1.00 0.17 C ATOM 966 O VAL A 59 4.493 -6.029 -9.492 1.00 0.18 O ATOM 967 CB VAL A 59 4.012 -4.998 -6.788 1.00 0.18 C ATOM 968 CG1 VAL A 59 4.332 -3.584 -7.247 1.00 0.20 C ATOM 969 CG2 VAL A 59 3.540 -4.984 -5.352 1.00 0.20 C ATOM 0 H VAL A 59 3.451 -7.441 -6.749 1.00 0.19 H new ATOM 0 HA VAL A 59 2.005 -5.132 -7.562 1.00 0.17 H new ATOM 0 HB VAL A 59 4.923 -5.594 -6.854 1.00 0.18 H new ATOM 0 HG11 VAL A 59 5.082 -3.148 -6.587 1.00 0.20 H new ATOM 0 HG12 VAL A 59 4.718 -3.611 -8.266 1.00 0.20 H new ATOM 0 HG13 VAL A 59 3.426 -2.978 -7.218 1.00 0.20 H new ATOM 0 HG21 VAL A 59 4.300 -4.520 -4.724 1.00 0.20 H new ATOM 0 HG22 VAL A 59 2.613 -4.416 -5.279 1.00 0.20 H new ATOM 0 HG23 VAL A 59 3.366 -6.006 -5.016 1.00 0.20 H new ATOM 979 N ASN A 60 2.592 -4.877 -9.936 1.00 0.17 N ATOM 980 CA ASN A 60 2.958 -4.535 -11.295 1.00 0.18 C ATOM 981 C ASN A 60 3.705 -3.216 -11.272 1.00 0.18 C ATOM 982 O ASN A 60 4.527 -2.931 -12.142 1.00 0.21 O ATOM 983 CB ASN A 60 1.719 -4.434 -12.189 1.00 0.23 C ATOM 984 CG ASN A 60 0.913 -5.719 -12.220 1.00 1.14 C ATOM 985 OD1 ASN A 60 -0.017 -5.899 -11.434 1.00 2.02 O ATOM 986 ND2 ASN A 60 1.263 -6.625 -13.121 1.00 1.61 N ATOM 0 H ASN A 60 1.658 -4.570 -9.664 1.00 0.17 H new ATOM 0 HA ASN A 60 3.594 -5.318 -11.708 1.00 0.18 H new ATOM 0 HB2 ASN A 60 1.085 -3.621 -11.834 1.00 0.23 H new ATOM 0 HB3 ASN A 60 2.027 -4.179 -13.203 1.00 0.23 H new ATOM 0 HD21 ASN A 60 0.756 -7.508 -13.180 1.00 1.61 H new ATOM 0 HD22 ASN A 60 2.040 -6.440 -13.756 1.00 1.61 H new ATOM 993 N GLY A 61 3.408 -2.410 -10.258 1.00 0.18 N ATOM 994 CA GLY A 61 4.144 -1.183 -10.050 1.00 0.23 C ATOM 995 C GLY A 61 3.446 -0.247 -9.094 1.00 0.21 C ATOM 996 O GLY A 61 2.894 -0.681 -8.082 1.00 0.21 O ATOM 0 H GLY A 61 2.669 -2.588 -9.577 1.00 0.18 H new ATOM 0 HA2 GLY A 61 5.136 -1.419 -9.664 1.00 0.23 H new ATOM 0 HA3 GLY A 61 4.285 -0.681 -11.007 1.00 0.23 H new ATOM 1000 N LEU A 62 3.459 1.033 -9.414 1.00 0.25 N ATOM 1001 CA LEU A 62 2.837 2.035 -8.567 1.00 0.28 C ATOM 1002 C LEU A 62 1.847 2.870 -9.354 1.00 0.32 C ATOM 1003 O LEU A 62 2.002 3.074 -10.559 1.00 0.33 O ATOM 1004 CB LEU A 62 3.890 2.946 -7.941 1.00 0.32 C ATOM 1005 CG LEU A 62 4.747 2.294 -6.859 1.00 0.34 C ATOM 1006 CD1 LEU A 62 5.745 3.288 -6.317 1.00 0.42 C ATOM 1007 CD2 LEU A 62 3.874 1.770 -5.737 1.00 0.35 C ATOM 0 H LEU A 62 3.895 1.405 -10.258 1.00 0.25 H new ATOM 0 HA LEU A 62 2.304 1.511 -7.774 1.00 0.28 H new ATOM 0 HB2 LEU A 62 4.546 3.314 -8.730 1.00 0.32 H new ATOM 0 HB3 LEU A 62 3.389 3.814 -7.512 1.00 0.32 H new ATOM 0 HG LEU A 62 5.286 1.456 -7.301 1.00 0.34 H new ATOM 0 HD11 LEU A 62 6.351 2.812 -5.546 1.00 0.42 H new ATOM 0 HD12 LEU A 62 6.391 3.632 -7.125 1.00 0.42 H new ATOM 0 HD13 LEU A 62 5.215 4.139 -5.888 1.00 0.42 H new ATOM 0 HD21 LEU A 62 4.500 1.308 -4.974 1.00 0.35 H new ATOM 0 HD22 LEU A 62 3.314 2.595 -5.296 1.00 0.35 H new ATOM 0 HD23 LEU A 62 3.179 1.030 -6.132 1.00 0.35 H new ATOM 1019 N SER A 63 0.822 3.333 -8.666 1.00 0.39 N ATOM 1020 CA SER A 63 -0.168 4.200 -9.260 1.00 0.48 C ATOM 1021 C SER A 63 0.308 5.647 -9.201 1.00 0.49 C ATOM 1022 O SER A 63 1.034 6.040 -8.289 1.00 0.60 O ATOM 1023 CB SER A 63 -1.500 4.019 -8.544 1.00 0.66 C ATOM 1024 OG SER A 63 -2.129 2.810 -8.942 1.00 1.57 O ATOM 0 H SER A 63 0.655 3.118 -7.683 1.00 0.39 H new ATOM 0 HA SER A 63 -0.309 3.938 -10.309 1.00 0.48 H new ATOM 0 HB2 SER A 63 -1.340 4.013 -7.466 1.00 0.66 H new ATOM 0 HB3 SER A 63 -2.153 4.863 -8.764 1.00 0.66 H new ATOM 0 HG SER A 63 -3.000 3.011 -9.343 1.00 1.57 H new ATOM 1030 N ARG A 64 -0.114 6.433 -10.180 1.00 0.66 N ATOM 1031 CA ARG A 64 0.432 7.770 -10.401 1.00 0.78 C ATOM 1032 C ARG A 64 -0.057 8.791 -9.376 1.00 0.61 C ATOM 1033 O ARG A 64 0.394 9.937 -9.381 1.00 0.71 O ATOM 1034 CB ARG A 64 0.106 8.251 -11.820 1.00 1.08 C ATOM 1035 CG ARG A 64 1.074 7.736 -12.880 1.00 1.53 C ATOM 1036 CD ARG A 64 1.090 6.217 -12.947 1.00 2.14 C ATOM 1037 NE ARG A 64 2.252 5.707 -13.674 1.00 2.62 N ATOM 1038 CZ ARG A 64 3.385 5.336 -13.080 1.00 3.27 C ATOM 1039 NH1 ARG A 64 3.516 5.463 -11.766 1.00 3.51 N ATOM 1040 NH2 ARG A 64 4.390 4.847 -13.796 1.00 4.02 N ATOM 0 H ARG A 64 -0.842 6.166 -10.843 1.00 0.66 H new ATOM 0 HA ARG A 64 1.512 7.690 -10.278 1.00 0.78 H new ATOM 0 HB2 ARG A 64 -0.904 7.934 -12.078 1.00 1.08 H new ATOM 0 HB3 ARG A 64 0.111 9.341 -11.835 1.00 1.08 H new ATOM 0 HG2 ARG A 64 0.794 8.139 -13.853 1.00 1.53 H new ATOM 0 HG3 ARG A 64 2.078 8.100 -12.662 1.00 1.53 H new ATOM 0 HD2 ARG A 64 1.090 5.811 -11.936 1.00 2.14 H new ATOM 0 HD3 ARG A 64 0.178 5.867 -13.431 1.00 2.14 H new ATOM 0 HE ARG A 64 2.192 5.631 -14.689 1.00 2.62 H new ATOM 0 HH11 ARG A 64 2.750 5.844 -11.212 1.00 3.51 H new ATOM 0 HH12 ARG A 64 4.383 5.179 -11.310 1.00 3.51 H new ATOM 0 HH21 ARG A 64 4.297 4.753 -14.807 1.00 4.02 H new ATOM 0 HH22 ARG A 64 5.255 4.565 -13.335 1.00 4.02 H new ATOM 1054 N ALA A 65 -0.974 8.389 -8.510 1.00 0.44 N ATOM 1055 CA ALA A 65 -1.521 9.301 -7.518 1.00 0.36 C ATOM 1056 C ALA A 65 -1.453 8.702 -6.114 1.00 0.33 C ATOM 1057 O ALA A 65 -1.744 7.519 -5.913 1.00 0.33 O ATOM 1058 CB ALA A 65 -2.947 9.668 -7.881 1.00 0.47 C ATOM 0 H ALA A 65 -1.353 7.443 -8.474 1.00 0.44 H new ATOM 0 HA ALA A 65 -0.915 10.207 -7.515 1.00 0.36 H new ATOM 0 HB1 ALA A 65 -3.349 10.351 -7.133 1.00 0.47 H new ATOM 0 HB2 ALA A 65 -2.961 10.151 -8.858 1.00 0.47 H new ATOM 0 HB3 ALA A 65 -3.558 8.766 -7.914 1.00 0.47 H new ATOM 1064 N PRO A 66 -1.018 9.518 -5.138 1.00 0.36 N ATOM 1065 CA PRO A 66 -0.957 9.134 -3.718 1.00 0.37 C ATOM 1066 C PRO A 66 -2.340 8.910 -3.098 1.00 0.33 C ATOM 1067 O PRO A 66 -3.372 9.249 -3.683 1.00 0.34 O ATOM 1068 CB PRO A 66 -0.277 10.336 -3.048 1.00 0.45 C ATOM 1069 CG PRO A 66 0.369 11.091 -4.157 1.00 0.52 C ATOM 1070 CD PRO A 66 -0.512 10.883 -5.348 1.00 0.41 C ATOM 0 HA PRO A 66 -0.429 8.189 -3.588 1.00 0.37 H new ATOM 0 HB2 PRO A 66 -1.003 10.955 -2.521 1.00 0.45 H new ATOM 0 HB3 PRO A 66 0.459 10.012 -2.312 1.00 0.45 H new ATOM 0 HG2 PRO A 66 0.455 12.150 -3.913 1.00 0.52 H new ATOM 0 HG3 PRO A 66 1.378 10.724 -4.346 1.00 0.52 H new ATOM 0 HD2 PRO A 66 -1.320 11.613 -5.387 1.00 0.41 H new ATOM 0 HD3 PRO A 66 0.042 10.971 -6.282 1.00 0.41 H new ATOM 1078 N ALA A 67 -2.334 8.355 -1.885 1.00 0.35 N ATOM 1079 CA ALA A 67 -3.559 7.953 -1.195 1.00 0.35 C ATOM 1080 C ALA A 67 -4.398 9.152 -0.768 1.00 0.32 C ATOM 1081 O ALA A 67 -5.603 9.030 -0.550 1.00 0.34 O ATOM 1082 CB ALA A 67 -3.218 7.095 0.016 1.00 0.40 C ATOM 0 H ALA A 67 -1.482 8.172 -1.355 1.00 0.35 H new ATOM 0 HA ALA A 67 -4.155 7.372 -1.899 1.00 0.35 H new ATOM 0 HB1 ALA A 67 -4.137 6.800 0.523 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -2.681 6.204 -0.309 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -2.592 7.666 0.702 1.00 0.40 H new ATOM 1088 N SER A 68 -3.756 10.301 -0.630 1.00 0.36 N ATOM 1089 CA SER A 68 -4.452 11.522 -0.262 1.00 0.39 C ATOM 1090 C SER A 68 -4.966 12.256 -1.501 1.00 0.39 C ATOM 1091 O SER A 68 -5.611 13.302 -1.397 1.00 0.47 O ATOM 1092 CB SER A 68 -3.517 12.414 0.557 1.00 0.46 C ATOM 1093 OG SER A 68 -2.216 12.433 -0.007 1.00 1.08 O ATOM 0 H SER A 68 -2.752 10.413 -0.768 1.00 0.36 H new ATOM 0 HA SER A 68 -5.320 11.266 0.346 1.00 0.39 H new ATOM 0 HB2 SER A 68 -3.916 13.428 0.596 1.00 0.46 H new ATOM 0 HB3 SER A 68 -3.468 12.051 1.584 1.00 0.46 H new ATOM 0 HG SER A 68 -1.635 13.010 0.531 1.00 1.08 H new ATOM 1099 N SER A 69 -4.678 11.700 -2.671 1.00 0.37 N ATOM 1100 CA SER A 69 -5.088 12.307 -3.929 1.00 0.41 C ATOM 1101 C SER A 69 -6.272 11.560 -4.545 1.00 0.43 C ATOM 1102 O SER A 69 -7.294 12.167 -4.873 1.00 0.58 O ATOM 1103 CB SER A 69 -3.912 12.320 -4.906 1.00 0.48 C ATOM 1104 OG SER A 69 -2.766 12.903 -4.309 1.00 1.15 O ATOM 0 H SER A 69 -4.160 10.827 -2.774 1.00 0.37 H new ATOM 0 HA SER A 69 -5.404 13.330 -3.726 1.00 0.41 H new ATOM 0 HB2 SER A 69 -3.685 11.302 -5.221 1.00 0.48 H new ATOM 0 HB3 SER A 69 -4.184 12.878 -5.802 1.00 0.48 H new ATOM 0 HG SER A 69 -2.288 13.440 -4.975 1.00 1.15 H new ATOM 1110 N GLU A 70 -6.135 10.243 -4.691 1.00 0.40 N ATOM 1111 CA GLU A 70 -7.166 9.433 -5.333 1.00 0.47 C ATOM 1112 C GLU A 70 -8.424 9.333 -4.483 1.00 0.45 C ATOM 1113 O GLU A 70 -8.359 9.218 -3.256 1.00 0.40 O ATOM 1114 CB GLU A 70 -6.636 8.038 -5.652 1.00 0.53 C ATOM 1115 CG GLU A 70 -5.664 8.015 -6.817 1.00 0.69 C ATOM 1116 CD GLU A 70 -6.306 8.437 -8.124 1.00 0.71 C ATOM 1117 OE1 GLU A 70 -6.345 9.652 -8.412 1.00 0.79 O ATOM 1118 OE2 GLU A 70 -6.776 7.557 -8.871 1.00 1.09 O ATOM 0 H GLU A 70 -5.321 9.716 -4.374 1.00 0.40 H new ATOM 0 HA GLU A 70 -7.433 9.934 -6.263 1.00 0.47 H new ATOM 0 HB2 GLU A 70 -6.142 7.634 -4.768 1.00 0.53 H new ATOM 0 HB3 GLU A 70 -7.476 7.381 -5.876 1.00 0.53 H new ATOM 0 HG2 GLU A 70 -4.826 8.677 -6.598 1.00 0.69 H new ATOM 0 HG3 GLU A 70 -5.257 7.010 -6.925 1.00 0.69 H new ATOM 1125 N THR A 71 -9.563 9.374 -5.157 1.00 0.57 N ATOM 1126 CA THR A 71 -10.860 9.305 -4.510 1.00 0.59 C ATOM 1127 C THR A 71 -11.721 8.230 -5.156 1.00 0.67 C ATOM 1128 O THR A 71 -11.634 8.000 -6.362 1.00 0.75 O ATOM 1129 CB THR A 71 -11.605 10.652 -4.616 1.00 0.67 C ATOM 1130 OG1 THR A 71 -11.613 11.103 -5.980 1.00 0.93 O ATOM 1131 CG2 THR A 71 -10.963 11.709 -3.736 1.00 0.67 C ATOM 0 H THR A 71 -9.612 9.456 -6.172 1.00 0.57 H new ATOM 0 HA THR A 71 -10.687 9.066 -3.461 1.00 0.59 H new ATOM 0 HB THR A 71 -12.628 10.496 -4.274 1.00 0.67 H new ATOM 0 HG1 THR A 71 -12.089 11.958 -6.039 1.00 0.93 H new ATOM 0 HG21 THR A 71 -11.512 12.646 -3.834 1.00 0.67 H new ATOM 0 HG22 THR A 71 -10.987 11.381 -2.697 1.00 0.67 H new ATOM 0 HG23 THR A 71 -9.929 11.860 -4.045 1.00 0.67 H new ATOM 1139 N PHE A 72 -12.545 7.574 -4.362 1.00 0.67 N ATOM 1140 CA PHE A 72 -13.521 6.636 -4.898 1.00 0.74 C ATOM 1141 C PHE A 72 -14.888 6.941 -4.308 1.00 0.76 C ATOM 1142 O PHE A 72 -14.985 7.434 -3.182 1.00 0.74 O ATOM 1143 CB PHE A 72 -13.109 5.182 -4.623 1.00 0.75 C ATOM 1144 CG PHE A 72 -12.972 4.827 -3.166 1.00 0.67 C ATOM 1145 CD1 PHE A 72 -11.798 5.089 -2.481 1.00 0.56 C ATOM 1146 CD2 PHE A 72 -14.018 4.214 -2.488 1.00 0.74 C ATOM 1147 CE1 PHE A 72 -11.668 4.754 -1.146 1.00 0.51 C ATOM 1148 CE2 PHE A 72 -13.891 3.876 -1.153 1.00 0.69 C ATOM 1149 CZ PHE A 72 -12.714 4.147 -0.483 1.00 0.57 C ATOM 0 H PHE A 72 -12.561 7.670 -3.347 1.00 0.67 H new ATOM 0 HA PHE A 72 -13.566 6.754 -5.981 1.00 0.74 H new ATOM 0 HB2 PHE A 72 -13.846 4.519 -5.076 1.00 0.75 H new ATOM 0 HB3 PHE A 72 -12.158 4.989 -5.120 1.00 0.75 H new ATOM 0 HD1 PHE A 72 -10.974 5.561 -2.996 1.00 0.56 H new ATOM 0 HD2 PHE A 72 -14.940 3.999 -3.009 1.00 0.74 H new ATOM 0 HE1 PHE A 72 -10.748 4.968 -0.623 1.00 0.51 H new ATOM 0 HE2 PHE A 72 -14.711 3.401 -0.635 1.00 0.69 H new ATOM 0 HZ PHE A 72 -12.613 3.884 0.560 1.00 0.57 H new ATOM 1159 N GLU A 73 -15.940 6.673 -5.068 1.00 0.83 N ATOM 1160 CA GLU A 73 -17.279 7.019 -4.632 1.00 0.86 C ATOM 1161 C GLU A 73 -17.861 5.912 -3.769 1.00 0.87 C ATOM 1162 O GLU A 73 -18.091 4.792 -4.232 1.00 0.89 O ATOM 1163 CB GLU A 73 -18.192 7.313 -5.822 1.00 0.97 C ATOM 1164 CG GLU A 73 -19.560 7.837 -5.416 1.00 1.02 C ATOM 1165 CD GLU A 73 -20.375 8.331 -6.590 1.00 1.29 C ATOM 1166 OE1 GLU A 73 -20.214 9.507 -6.974 1.00 1.68 O ATOM 1167 OE2 GLU A 73 -21.185 7.550 -7.132 1.00 1.34 O ATOM 0 H GLU A 73 -15.891 6.221 -5.981 1.00 0.83 H new ATOM 0 HA GLU A 73 -17.212 7.927 -4.033 1.00 0.86 H new ATOM 0 HB2 GLU A 73 -17.708 8.044 -6.470 1.00 0.97 H new ATOM 0 HB3 GLU A 73 -18.319 6.402 -6.407 1.00 0.97 H new ATOM 0 HG2 GLU A 73 -20.110 7.046 -4.906 1.00 1.02 H new ATOM 0 HG3 GLU A 73 -19.434 8.649 -4.700 1.00 1.02 H new ATOM 1174 N HIS A 74 -18.064 6.238 -2.507 1.00 0.90 N ATOM 1175 CA HIS A 74 -18.660 5.332 -1.549 1.00 0.97 C ATOM 1176 C HIS A 74 -19.642 6.121 -0.699 1.00 1.09 C ATOM 1177 O HIS A 74 -19.287 7.179 -0.176 1.00 1.06 O ATOM 1178 CB HIS A 74 -17.569 4.698 -0.681 1.00 0.90 C ATOM 1179 CG HIS A 74 -18.048 3.587 0.200 1.00 1.06 C ATOM 1180 ND1 HIS A 74 -18.278 2.326 -0.296 1.00 1.78 N ATOM 1181 CD2 HIS A 74 -18.303 3.593 1.530 1.00 1.09 C ATOM 1182 CE1 HIS A 74 -18.660 1.597 0.735 1.00 1.77 C ATOM 1183 NE2 HIS A 74 -18.691 2.319 1.866 1.00 1.20 N ATOM 0 H HIS A 74 -17.817 7.147 -2.116 1.00 0.90 H new ATOM 0 HA HIS A 74 -19.187 4.526 -2.060 1.00 0.97 H new ATOM 0 HB2 HIS A 74 -16.781 4.317 -1.330 1.00 0.90 H new ATOM 0 HB3 HIS A 74 -17.122 5.472 -0.058 1.00 0.90 H new ATOM 0 HD2 HIS A 74 -18.218 4.437 2.198 1.00 1.09 H new ATOM 0 HE1 HIS A 74 -18.916 0.549 0.676 1.00 1.77 H new ATOM 0 HE2 HIS A 74 -18.952 1.986 2.794 1.00 1.20 H new ATOM 1191 N ASP A 75 -20.884 5.641 -0.615 1.00 1.29 N ATOM 1192 CA ASP A 75 -21.946 6.349 0.110 1.00 1.48 C ATOM 1193 C ASP A 75 -22.320 7.620 -0.655 1.00 1.39 C ATOM 1194 O ASP A 75 -22.946 8.537 -0.129 1.00 1.46 O ATOM 1195 CB ASP A 75 -21.498 6.668 1.548 1.00 1.61 C ATOM 1196 CG ASP A 75 -22.569 7.324 2.395 1.00 2.16 C ATOM 1197 OD1 ASP A 75 -23.488 6.613 2.850 1.00 2.30 O ATOM 1198 OD2 ASP A 75 -22.483 8.547 2.629 1.00 2.80 O ATOM 0 H ASP A 75 -21.182 4.763 -1.040 1.00 1.29 H new ATOM 0 HA ASP A 75 -22.828 5.712 0.179 1.00 1.48 H new ATOM 0 HB2 ASP A 75 -21.181 5.744 2.032 1.00 1.61 H new ATOM 0 HB3 ASP A 75 -20.627 7.323 1.510 1.00 1.61 H new ATOM 1203 N GLY A 76 -21.935 7.655 -1.926 1.00 1.28 N ATOM 1204 CA GLY A 76 -22.154 8.831 -2.742 1.00 1.24 C ATOM 1205 C GLY A 76 -21.075 9.870 -2.525 1.00 1.14 C ATOM 1206 O GLY A 76 -21.057 10.911 -3.181 1.00 1.18 O ATOM 0 H GLY A 76 -21.472 6.884 -2.407 1.00 1.28 H new ATOM 0 HA2 GLY A 76 -22.178 8.545 -3.794 1.00 1.24 H new ATOM 0 HA3 GLY A 76 -23.127 9.262 -2.506 1.00 1.24 H new ATOM 1210 N LYS A 77 -20.169 9.580 -1.604 1.00 1.07 N ATOM 1211 CA LYS A 77 -19.091 10.492 -1.272 1.00 1.00 C ATOM 1212 C LYS A 77 -17.805 10.037 -1.946 1.00 0.89 C ATOM 1213 O LYS A 77 -17.460 8.859 -1.894 1.00 0.88 O ATOM 1214 CB LYS A 77 -18.868 10.536 0.247 1.00 1.04 C ATOM 1215 CG LYS A 77 -20.144 10.634 1.073 1.00 1.37 C ATOM 1216 CD LYS A 77 -20.899 11.925 0.809 1.00 1.58 C ATOM 1217 CE LYS A 77 -22.098 12.071 1.737 1.00 1.77 C ATOM 1218 NZ LYS A 77 -23.065 10.946 1.598 1.00 2.07 N ATOM 0 H LYS A 77 -20.162 8.711 -1.070 1.00 1.07 H new ATOM 0 HA LYS A 77 -19.365 11.487 -1.623 1.00 1.00 H new ATOM 0 HB2 LYS A 77 -18.324 9.640 0.547 1.00 1.04 H new ATOM 0 HB3 LYS A 77 -18.232 11.389 0.483 1.00 1.04 H new ATOM 0 HG2 LYS A 77 -20.788 9.785 0.845 1.00 1.37 H new ATOM 0 HG3 LYS A 77 -19.895 10.570 2.132 1.00 1.37 H new ATOM 0 HD2 LYS A 77 -20.228 12.774 0.943 1.00 1.58 H new ATOM 0 HD3 LYS A 77 -21.235 11.945 -0.228 1.00 1.58 H new ATOM 0 HE2 LYS A 77 -21.751 12.123 2.769 1.00 1.77 H new ATOM 0 HE3 LYS A 77 -22.606 13.012 1.524 1.00 1.77 H new ATOM 0 HZ1 LYS A 77 -24.033 11.303 1.726 1.00 2.07 H new ATOM 0 HZ2 LYS A 77 -22.974 10.525 0.651 1.00 2.07 H new ATOM 0 HZ3 LYS A 77 -22.864 10.224 2.319 1.00 2.07 H new ATOM 1232 N LYS A 78 -17.101 10.955 -2.585 1.00 0.90 N ATOM 1233 CA LYS A 78 -15.796 10.635 -3.135 1.00 0.83 C ATOM 1234 C LYS A 78 -14.737 10.827 -2.062 1.00 0.73 C ATOM 1235 O LYS A 78 -14.257 11.941 -1.828 1.00 0.81 O ATOM 1236 CB LYS A 78 -15.483 11.498 -4.358 1.00 0.92 C ATOM 1237 CG LYS A 78 -16.386 11.218 -5.548 1.00 1.01 C ATOM 1238 CD LYS A 78 -16.075 12.122 -6.730 1.00 1.23 C ATOM 1239 CE LYS A 78 -16.630 13.521 -6.525 1.00 1.77 C ATOM 1240 NZ LYS A 78 -15.809 14.342 -5.591 1.00 2.36 N ATOM 0 H LYS A 78 -17.406 11.917 -2.735 1.00 0.90 H new ATOM 0 HA LYS A 78 -15.799 9.595 -3.461 1.00 0.83 H new ATOM 0 HB2 LYS A 78 -15.573 12.549 -4.083 1.00 0.92 H new ATOM 0 HB3 LYS A 78 -14.447 11.334 -4.653 1.00 0.92 H new ATOM 0 HG2 LYS A 78 -16.274 10.177 -5.850 1.00 1.01 H new ATOM 0 HG3 LYS A 78 -17.426 11.354 -5.253 1.00 1.01 H new ATOM 0 HD2 LYS A 78 -14.996 12.176 -6.874 1.00 1.23 H new ATOM 0 HD3 LYS A 78 -16.497 11.692 -7.639 1.00 1.23 H new ATOM 0 HE2 LYS A 78 -16.689 14.027 -7.489 1.00 1.77 H new ATOM 0 HE3 LYS A 78 -17.647 13.450 -6.139 1.00 1.77 H new ATOM 0 HZ1 LYS A 78 -15.676 15.293 -5.990 1.00 2.36 H new ATOM 0 HZ2 LYS A 78 -16.295 14.416 -4.675 1.00 2.36 H new ATOM 0 HZ3 LYS A 78 -14.882 13.891 -5.456 1.00 2.36 H new ATOM 1254 N VAL A 79 -14.394 9.736 -1.405 1.00 0.63 N ATOM 1255 CA VAL A 79 -13.445 9.770 -0.307 1.00 0.54 C ATOM 1256 C VAL A 79 -12.061 9.375 -0.792 1.00 0.48 C ATOM 1257 O VAL A 79 -11.924 8.560 -1.709 1.00 0.51 O ATOM 1258 CB VAL A 79 -13.879 8.831 0.841 1.00 0.53 C ATOM 1259 CG1 VAL A 79 -15.215 9.275 1.413 1.00 0.63 C ATOM 1260 CG2 VAL A 79 -13.962 7.384 0.372 1.00 0.56 C ATOM 0 H VAL A 79 -14.761 8.808 -1.614 1.00 0.63 H new ATOM 0 HA VAL A 79 -13.418 10.791 0.074 1.00 0.54 H new ATOM 0 HB VAL A 79 -13.122 8.889 1.623 1.00 0.53 H new ATOM 0 HG11 VAL A 79 -15.506 8.603 2.220 1.00 0.63 H new ATOM 0 HG12 VAL A 79 -15.126 10.290 1.800 1.00 0.63 H new ATOM 0 HG13 VAL A 79 -15.972 9.251 0.630 1.00 0.63 H new ATOM 0 HG21 VAL A 79 -14.270 6.749 1.203 1.00 0.56 H new ATOM 0 HG22 VAL A 79 -14.691 7.304 -0.435 1.00 0.56 H new ATOM 0 HG23 VAL A 79 -12.985 7.062 0.012 1.00 0.56 H new ATOM 1270 N THR A 80 -11.035 9.968 -0.201 1.00 0.42 N ATOM 1271 CA THR A 80 -9.674 9.640 -0.563 1.00 0.37 C ATOM 1272 C THR A 80 -9.264 8.324 0.077 1.00 0.33 C ATOM 1273 O THR A 80 -9.832 7.935 1.103 1.00 0.32 O ATOM 1274 CB THR A 80 -8.683 10.747 -0.145 1.00 0.34 C ATOM 1275 OG1 THR A 80 -8.793 11.000 1.259 1.00 0.35 O ATOM 1276 CG2 THR A 80 -8.946 12.035 -0.911 1.00 0.46 C ATOM 0 H THR A 80 -11.123 10.676 0.528 1.00 0.42 H new ATOM 0 HA THR A 80 -9.640 9.550 -1.649 1.00 0.37 H new ATOM 0 HB THR A 80 -7.676 10.401 -0.379 1.00 0.34 H new ATOM 0 HG1 THR A 80 -8.138 11.680 1.521 1.00 0.35 H new ATOM 0 HG21 THR A 80 -8.233 12.797 -0.596 1.00 0.46 H new ATOM 0 HG22 THR A 80 -8.834 11.852 -1.980 1.00 0.46 H new ATOM 0 HG23 THR A 80 -9.960 12.379 -0.706 1.00 0.46 H new ATOM 1284 N ILE A 81 -8.303 7.638 -0.524 1.00 0.32 N ATOM 1285 CA ILE A 81 -7.829 6.364 0.008 1.00 0.31 C ATOM 1286 C ILE A 81 -7.441 6.525 1.478 1.00 0.27 C ATOM 1287 O ILE A 81 -7.866 5.753 2.341 1.00 0.29 O ATOM 1288 CB ILE A 81 -6.610 5.839 -0.789 1.00 0.34 C ATOM 1289 CG1 ILE A 81 -6.900 5.853 -2.299 1.00 0.38 C ATOM 1290 CG2 ILE A 81 -6.233 4.436 -0.331 1.00 0.34 C ATOM 1291 CD1 ILE A 81 -8.072 4.988 -2.711 1.00 0.40 C ATOM 0 H ILE A 81 -7.835 7.939 -1.379 1.00 0.32 H new ATOM 0 HA ILE A 81 -8.640 5.641 -0.085 1.00 0.31 H new ATOM 0 HB ILE A 81 -5.767 6.502 -0.596 1.00 0.34 H new ATOM 0 HG12 ILE A 81 -7.092 6.879 -2.612 1.00 0.38 H new ATOM 0 HG13 ILE A 81 -6.010 5.518 -2.832 1.00 0.38 H new ATOM 0 HG21 ILE A 81 -5.374 4.085 -0.903 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -5.980 4.455 0.729 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -7.075 3.763 -0.491 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -8.210 5.053 -3.790 1.00 0.40 H new ATOM 0 HD12 ILE A 81 -7.876 3.953 -2.432 1.00 0.40 H new ATOM 0 HD13 ILE A 81 -8.975 5.335 -2.208 1.00 0.40 H new ATOM 1303 N ALA A 82 -6.675 7.579 1.752 1.00 0.26 N ATOM 1304 CA ALA A 82 -6.197 7.872 3.099 1.00 0.25 C ATOM 1305 C ALA A 82 -7.347 8.069 4.083 1.00 0.24 C ATOM 1306 O ALA A 82 -7.286 7.600 5.221 1.00 0.26 O ATOM 1307 CB ALA A 82 -5.307 9.106 3.076 1.00 0.26 C ATOM 0 H ALA A 82 -6.370 8.251 1.048 1.00 0.26 H new ATOM 0 HA ALA A 82 -5.620 7.013 3.440 1.00 0.25 H new ATOM 0 HB1 ALA A 82 -4.954 9.319 4.085 1.00 0.26 H new ATOM 0 HB2 ALA A 82 -4.453 8.927 2.423 1.00 0.26 H new ATOM 0 HB3 ALA A 82 -5.876 9.958 2.704 1.00 0.26 H new ATOM 1313 N SER A 83 -8.399 8.752 3.642 1.00 0.26 N ATOM 1314 CA SER A 83 -9.536 9.038 4.507 1.00 0.28 C ATOM 1315 C SER A 83 -10.307 7.769 4.847 1.00 0.26 C ATOM 1316 O SER A 83 -10.786 7.615 5.968 1.00 0.27 O ATOM 1317 CB SER A 83 -10.467 10.062 3.858 1.00 0.34 C ATOM 1318 OG SER A 83 -9.824 11.318 3.724 1.00 1.16 O ATOM 0 H SER A 83 -8.487 9.116 2.693 1.00 0.26 H new ATOM 0 HA SER A 83 -9.145 9.457 5.434 1.00 0.28 H new ATOM 0 HB2 SER A 83 -10.781 9.704 2.878 1.00 0.34 H new ATOM 0 HB3 SER A 83 -11.368 10.173 4.461 1.00 0.34 H new ATOM 0 HG SER A 83 -9.253 11.310 2.928 1.00 1.16 H new ATOM 1324 N TYR A 84 -10.410 6.850 3.894 1.00 0.27 N ATOM 1325 CA TYR A 84 -11.150 5.617 4.122 1.00 0.29 C ATOM 1326 C TYR A 84 -10.486 4.791 5.219 1.00 0.27 C ATOM 1327 O TYR A 84 -11.159 4.259 6.101 1.00 0.29 O ATOM 1328 CB TYR A 84 -11.262 4.791 2.838 1.00 0.34 C ATOM 1329 CG TYR A 84 -12.138 3.570 2.996 1.00 0.46 C ATOM 1330 CD1 TYR A 84 -13.519 3.694 3.094 1.00 0.60 C ATOM 1331 CD2 TYR A 84 -11.587 2.295 3.067 1.00 0.56 C ATOM 1332 CE1 TYR A 84 -14.326 2.585 3.254 1.00 0.74 C ATOM 1333 CE2 TYR A 84 -12.389 1.183 3.231 1.00 0.71 C ATOM 1334 CZ TYR A 84 -13.756 1.332 3.322 1.00 0.78 C ATOM 1335 OH TYR A 84 -14.557 0.227 3.493 1.00 0.95 O ATOM 0 H TYR A 84 -9.995 6.934 2.966 1.00 0.27 H new ATOM 0 HA TYR A 84 -12.156 5.888 4.441 1.00 0.29 H new ATOM 0 HB2 TYR A 84 -11.663 5.419 2.043 1.00 0.34 H new ATOM 0 HB3 TYR A 84 -10.266 4.479 2.525 1.00 0.34 H new ATOM 0 HD1 TYR A 84 -13.969 4.675 3.044 1.00 0.60 H new ATOM 0 HD2 TYR A 84 -10.516 2.173 2.993 1.00 0.56 H new ATOM 0 HE1 TYR A 84 -15.398 2.699 3.325 1.00 0.74 H new ATOM 0 HE2 TYR A 84 -11.946 0.200 3.288 1.00 0.71 H new ATOM 0 HH TYR A 84 -14.442 -0.381 2.733 1.00 0.95 H new ATOM 1345 N PHE A 85 -9.163 4.700 5.166 1.00 0.27 N ATOM 1346 CA PHE A 85 -8.405 3.988 6.190 1.00 0.27 C ATOM 1347 C PHE A 85 -8.507 4.705 7.531 1.00 0.28 C ATOM 1348 O PHE A 85 -8.632 4.070 8.577 1.00 0.31 O ATOM 1349 CB PHE A 85 -6.939 3.844 5.778 1.00 0.29 C ATOM 1350 CG PHE A 85 -6.714 2.790 4.732 1.00 0.27 C ATOM 1351 CD1 PHE A 85 -7.034 3.026 3.408 1.00 0.27 C ATOM 1352 CD2 PHE A 85 -6.189 1.559 5.080 1.00 0.36 C ATOM 1353 CE1 PHE A 85 -6.836 2.054 2.448 1.00 0.29 C ATOM 1354 CE2 PHE A 85 -5.988 0.583 4.126 1.00 0.37 C ATOM 1355 CZ PHE A 85 -6.313 0.830 2.808 1.00 0.29 C ATOM 0 H PHE A 85 -8.592 5.109 4.426 1.00 0.27 H new ATOM 0 HA PHE A 85 -8.834 2.992 6.295 1.00 0.27 H new ATOM 0 HB2 PHE A 85 -6.579 4.802 5.401 1.00 0.29 H new ATOM 0 HB3 PHE A 85 -6.344 3.604 6.659 1.00 0.29 H new ATOM 0 HD1 PHE A 85 -7.444 3.983 3.121 1.00 0.27 H new ATOM 0 HD2 PHE A 85 -5.933 1.359 6.110 1.00 0.36 H new ATOM 0 HE1 PHE A 85 -7.090 2.252 1.417 1.00 0.29 H new ATOM 0 HE2 PHE A 85 -5.576 -0.374 4.411 1.00 0.37 H new ATOM 0 HZ PHE A 85 -6.158 0.066 2.060 1.00 0.29 H new ATOM 1365 N HIS A 86 -8.474 6.028 7.486 1.00 0.27 N ATOM 1366 CA HIS A 86 -8.600 6.842 8.686 1.00 0.29 C ATOM 1367 C HIS A 86 -9.981 6.653 9.319 1.00 0.31 C ATOM 1368 O HIS A 86 -10.115 6.614 10.540 1.00 0.36 O ATOM 1369 CB HIS A 86 -8.351 8.314 8.334 1.00 0.30 C ATOM 1370 CG HIS A 86 -8.381 9.253 9.501 1.00 0.46 C ATOM 1371 ND1 HIS A 86 -9.301 10.270 9.572 1.00 0.56 N ATOM 1372 CD2 HIS A 86 -7.568 9.314 10.582 1.00 0.74 C ATOM 1373 CE1 HIS A 86 -9.028 10.926 10.688 1.00 0.75 C ATOM 1374 NE2 HIS A 86 -7.987 10.384 11.332 1.00 0.85 N ATOM 0 H HIS A 86 -8.360 6.564 6.626 1.00 0.27 H new ATOM 0 HA HIS A 86 -7.855 6.526 9.416 1.00 0.29 H new ATOM 0 HB2 HIS A 86 -7.381 8.397 7.844 1.00 0.30 H new ATOM 0 HB3 HIS A 86 -9.102 8.632 7.610 1.00 0.30 H new ATOM 0 HD2 HIS A 86 -6.748 8.649 10.810 1.00 0.74 H new ATOM 0 HE1 HIS A 86 -9.576 11.790 11.036 1.00 0.75 H new ATOM 0 HE2 HIS A 86 -7.583 10.705 12.212 1.00 0.85 H new ATOM 1382 N SER A 87 -11.002 6.516 8.478 1.00 0.29 N ATOM 1383 CA SER A 87 -12.363 6.276 8.947 1.00 0.35 C ATOM 1384 C SER A 87 -12.481 4.869 9.543 1.00 0.41 C ATOM 1385 O SER A 87 -13.265 4.633 10.468 1.00 0.48 O ATOM 1386 CB SER A 87 -13.362 6.459 7.799 1.00 0.36 C ATOM 1387 OG SER A 87 -14.699 6.399 8.267 1.00 1.31 O ATOM 0 H SER A 87 -10.912 6.567 7.463 1.00 0.29 H new ATOM 0 HA SER A 87 -12.596 7.001 9.726 1.00 0.35 H new ATOM 0 HB2 SER A 87 -13.188 7.418 7.311 1.00 0.36 H new ATOM 0 HB3 SER A 87 -13.202 5.686 7.048 1.00 0.36 H new ATOM 0 HG SER A 87 -15.315 6.520 7.514 1.00 1.31 H new ATOM 1393 N ARG A 88 -11.682 3.940 9.020 1.00 0.40 N ATOM 1394 CA ARG A 88 -11.602 2.589 9.571 1.00 0.46 C ATOM 1395 C ARG A 88 -10.801 2.597 10.875 1.00 0.48 C ATOM 1396 O ARG A 88 -10.544 1.546 11.465 1.00 0.57 O ATOM 1397 CB ARG A 88 -10.942 1.635 8.571 1.00 0.49 C ATOM 1398 CG ARG A 88 -11.786 1.313 7.346 1.00 1.05 C ATOM 1399 CD ARG A 88 -12.958 0.408 7.693 1.00 1.21 C ATOM 1400 NE ARG A 88 -13.575 -0.171 6.501 1.00 1.92 N ATOM 1401 CZ ARG A 88 -13.696 -1.482 6.286 1.00 2.62 C ATOM 1402 NH1 ARG A 88 -13.307 -2.355 7.208 1.00 2.84 N ATOM 1403 NH2 ARG A 88 -14.219 -1.916 5.147 1.00 3.55 N ATOM 0 H ARG A 88 -11.079 4.100 8.213 1.00 0.40 H new ATOM 0 HA ARG A 88 -12.616 2.243 9.772 1.00 0.46 H new ATOM 0 HB2 ARG A 88 -9.999 2.072 8.241 1.00 0.49 H new ATOM 0 HB3 ARG A 88 -10.700 0.704 9.083 1.00 0.49 H new ATOM 0 HG2 ARG A 88 -12.158 2.239 6.907 1.00 1.05 H new ATOM 0 HG3 ARG A 88 -11.164 0.830 6.592 1.00 1.05 H new ATOM 0 HD2 ARG A 88 -12.616 -0.392 8.349 1.00 1.21 H new ATOM 0 HD3 ARG A 88 -13.704 0.978 8.247 1.00 1.21 H new ATOM 0 HE ARG A 88 -13.935 0.466 5.790 1.00 1.92 H new ATOM 0 HH11 ARG A 88 -12.912 -2.025 8.089 1.00 2.84 H new ATOM 0 HH12 ARG A 88 -13.403 -3.356 7.036 1.00 2.84 H new ATOM 0 HH21 ARG A 88 -14.527 -1.248 4.440 1.00 3.55 H new ATOM 0 HH22 ARG A 88 -14.314 -2.917 4.978 1.00 3.55 H new ATOM 1417 N ASN A 89 -10.413 3.801 11.297 1.00 0.45 N ATOM 1418 CA ASN A 89 -9.673 4.035 12.536 1.00 0.47 C ATOM 1419 C ASN A 89 -8.229 3.567 12.403 1.00 0.48 C ATOM 1420 O ASN A 89 -7.720 2.812 13.233 1.00 0.67 O ATOM 1421 CB ASN A 89 -10.356 3.373 13.739 1.00 0.55 C ATOM 1422 CG ASN A 89 -9.902 3.966 15.060 1.00 0.99 C ATOM 1423 OD1 ASN A 89 -9.533 5.140 15.129 1.00 1.45 O ATOM 1424 ND2 ASN A 89 -9.943 3.177 16.120 1.00 1.98 N ATOM 0 H ASN A 89 -10.608 4.656 10.777 1.00 0.45 H new ATOM 0 HA ASN A 89 -9.668 5.110 12.716 1.00 0.47 H new ATOM 0 HB2 ASN A 89 -11.436 3.484 13.646 1.00 0.55 H new ATOM 0 HB3 ASN A 89 -10.143 2.304 13.731 1.00 0.55 H new ATOM 0 HD21 ASN A 89 -9.664 3.535 17.033 1.00 1.98 H new ATOM 0 HD22 ASN A 89 -10.254 2.210 16.024 1.00 1.98 H new ATOM 1431 N TYR A 90 -7.587 4.007 11.329 1.00 0.39 N ATOM 1432 CA TYR A 90 -6.155 3.825 11.152 1.00 0.38 C ATOM 1433 C TYR A 90 -5.592 4.972 10.317 1.00 0.32 C ATOM 1434 O TYR A 90 -5.735 4.995 9.095 1.00 0.36 O ATOM 1435 CB TYR A 90 -5.829 2.484 10.487 1.00 0.41 C ATOM 1436 CG TYR A 90 -4.343 2.274 10.282 1.00 0.40 C ATOM 1437 CD1 TYR A 90 -3.520 1.929 11.345 1.00 0.45 C ATOM 1438 CD2 TYR A 90 -3.765 2.437 9.029 1.00 0.44 C ATOM 1439 CE1 TYR A 90 -2.160 1.753 11.166 1.00 0.49 C ATOM 1440 CE2 TYR A 90 -2.407 2.261 8.841 1.00 0.46 C ATOM 1441 CZ TYR A 90 -1.609 1.921 9.911 1.00 0.45 C ATOM 1442 OH TYR A 90 -0.256 1.747 9.727 1.00 0.52 O ATOM 0 H TYR A 90 -8.043 4.498 10.560 1.00 0.39 H new ATOM 0 HA TYR A 90 -5.692 3.824 12.139 1.00 0.38 H new ATOM 0 HB2 TYR A 90 -6.224 1.674 11.101 1.00 0.41 H new ATOM 0 HB3 TYR A 90 -6.335 2.430 9.523 1.00 0.41 H new ATOM 0 HD1 TYR A 90 -3.948 1.796 12.327 1.00 0.45 H new ATOM 0 HD2 TYR A 90 -4.387 2.706 8.188 1.00 0.44 H new ATOM 0 HE1 TYR A 90 -1.532 1.486 12.003 1.00 0.49 H new ATOM 0 HE2 TYR A 90 -1.974 2.389 7.860 1.00 0.46 H new ATOM 0 HH TYR A 90 0.095 2.475 9.173 1.00 0.52 H new ATOM 1452 N PRO A 91 -4.971 5.952 10.971 1.00 0.32 N ATOM 1453 CA PRO A 91 -4.375 7.092 10.285 1.00 0.33 C ATOM 1454 C PRO A 91 -3.064 6.728 9.587 1.00 0.33 C ATOM 1455 O PRO A 91 -2.112 6.263 10.220 1.00 0.37 O ATOM 1456 CB PRO A 91 -4.139 8.097 11.413 1.00 0.40 C ATOM 1457 CG PRO A 91 -3.975 7.266 12.639 1.00 0.44 C ATOM 1458 CD PRO A 91 -4.804 6.026 12.433 1.00 0.41 C ATOM 0 HA PRO A 91 -5.013 7.476 9.489 1.00 0.33 H new ATOM 0 HB2 PRO A 91 -3.252 8.702 11.224 1.00 0.40 H new ATOM 0 HB3 PRO A 91 -4.979 8.785 11.511 1.00 0.40 H new ATOM 0 HG2 PRO A 91 -2.927 7.010 12.796 1.00 0.44 H new ATOM 0 HG3 PRO A 91 -4.306 7.811 13.523 1.00 0.44 H new ATOM 0 HD2 PRO A 91 -4.303 5.140 12.823 1.00 0.41 H new ATOM 0 HD3 PRO A 91 -5.765 6.099 12.942 1.00 0.41 H new ATOM 1466 N LEU A 92 -3.024 6.926 8.276 1.00 0.33 N ATOM 1467 CA LEU A 92 -1.822 6.650 7.499 1.00 0.35 C ATOM 1468 C LEU A 92 -0.740 7.670 7.832 1.00 0.38 C ATOM 1469 O LEU A 92 -0.984 8.877 7.810 1.00 0.40 O ATOM 1470 CB LEU A 92 -2.128 6.672 5.997 1.00 0.36 C ATOM 1471 CG LEU A 92 -3.123 5.611 5.516 1.00 0.36 C ATOM 1472 CD1 LEU A 92 -3.389 5.763 4.026 1.00 0.37 C ATOM 1473 CD2 LEU A 92 -2.602 4.215 5.819 1.00 0.45 C ATOM 0 H LEU A 92 -3.810 7.277 7.728 1.00 0.33 H new ATOM 0 HA LEU A 92 -1.464 5.654 7.759 1.00 0.35 H new ATOM 0 HB2 LEU A 92 -2.517 7.656 5.737 1.00 0.36 H new ATOM 0 HB3 LEU A 92 -1.194 6.544 5.451 1.00 0.36 H new ATOM 0 HG LEU A 92 -4.061 5.755 6.051 1.00 0.36 H new ATOM 0 HD11 LEU A 92 -4.098 5.001 3.703 1.00 0.37 H new ATOM 0 HD12 LEU A 92 -3.805 6.751 3.830 1.00 0.37 H new ATOM 0 HD13 LEU A 92 -2.455 5.646 3.476 1.00 0.37 H new ATOM 0 HD21 LEU A 92 -3.322 3.474 5.470 1.00 0.45 H new ATOM 0 HD22 LEU A 92 -1.650 4.063 5.310 1.00 0.45 H new ATOM 0 HD23 LEU A 92 -2.460 4.105 6.894 1.00 0.45 H new ATOM 1485 N LYS A 93 0.451 7.178 8.150 1.00 0.41 N ATOM 1486 CA LYS A 93 1.545 8.044 8.574 1.00 0.46 C ATOM 1487 C LYS A 93 2.154 8.789 7.391 1.00 0.44 C ATOM 1488 O LYS A 93 2.685 9.887 7.546 1.00 0.47 O ATOM 1489 CB LYS A 93 2.620 7.230 9.302 1.00 0.54 C ATOM 1490 CG LYS A 93 2.089 6.458 10.503 1.00 0.73 C ATOM 1491 CD LYS A 93 3.217 5.891 11.353 1.00 0.75 C ATOM 1492 CE LYS A 93 4.051 4.864 10.602 1.00 1.45 C ATOM 1493 NZ LYS A 93 3.270 3.650 10.246 1.00 1.99 N ATOM 0 H LYS A 93 0.684 6.185 8.123 1.00 0.41 H new ATOM 0 HA LYS A 93 1.137 8.784 9.262 1.00 0.46 H new ATOM 0 HB2 LYS A 93 3.071 6.529 8.600 1.00 0.54 H new ATOM 0 HB3 LYS A 93 3.411 7.902 9.633 1.00 0.54 H new ATOM 0 HG2 LYS A 93 1.469 7.115 11.113 1.00 0.73 H new ATOM 0 HG3 LYS A 93 1.449 5.645 10.159 1.00 0.73 H new ATOM 0 HD2 LYS A 93 3.861 6.705 11.686 1.00 0.75 H new ATOM 0 HD3 LYS A 93 2.798 5.430 12.247 1.00 0.75 H new ATOM 0 HE2 LYS A 93 4.448 5.317 9.693 1.00 1.45 H new ATOM 0 HE3 LYS A 93 4.906 4.576 11.214 1.00 1.45 H new ATOM 0 HZ1 LYS A 93 3.862 3.011 9.678 1.00 1.99 H new ATOM 0 HZ2 LYS A 93 2.970 3.163 11.115 1.00 1.99 H new ATOM 0 HZ3 LYS A 93 2.431 3.926 9.696 1.00 1.99 H new ATOM 1507 N PHE A 94 2.062 8.189 6.209 1.00 0.42 N ATOM 1508 CA PHE A 94 2.603 8.788 4.990 1.00 0.43 C ATOM 1509 C PHE A 94 1.683 8.498 3.811 1.00 0.42 C ATOM 1510 O PHE A 94 2.030 7.732 2.911 1.00 0.45 O ATOM 1511 CB PHE A 94 4.006 8.251 4.680 1.00 0.49 C ATOM 1512 CG PHE A 94 4.507 7.242 5.669 1.00 0.44 C ATOM 1513 CD1 PHE A 94 4.015 5.948 5.663 1.00 0.53 C ATOM 1514 CD2 PHE A 94 5.476 7.587 6.596 1.00 0.46 C ATOM 1515 CE1 PHE A 94 4.480 5.015 6.568 1.00 0.62 C ATOM 1516 CE2 PHE A 94 5.943 6.661 7.506 1.00 0.49 C ATOM 1517 CZ PHE A 94 5.444 5.372 7.492 1.00 0.56 C ATOM 0 H PHE A 94 1.615 7.283 6.067 1.00 0.42 H new ATOM 0 HA PHE A 94 2.670 9.864 5.151 1.00 0.43 H new ATOM 0 HB2 PHE A 94 4.000 7.799 3.688 1.00 0.49 H new ATOM 0 HB3 PHE A 94 4.704 9.087 4.645 1.00 0.49 H new ATOM 0 HD1 PHE A 94 3.260 5.666 4.944 1.00 0.53 H new ATOM 0 HD2 PHE A 94 5.871 8.592 6.607 1.00 0.46 H new ATOM 0 HE1 PHE A 94 4.091 4.008 6.554 1.00 0.62 H new ATOM 0 HE2 PHE A 94 6.696 6.942 8.227 1.00 0.49 H new ATOM 0 HZ PHE A 94 5.807 4.644 8.203 1.00 0.56 H new ATOM 1527 N PRO A 95 0.484 9.086 3.807 1.00 0.47 N ATOM 1528 CA PRO A 95 -0.505 8.858 2.753 1.00 0.53 C ATOM 1529 C PRO A 95 -0.132 9.522 1.429 1.00 0.52 C ATOM 1530 O PRO A 95 -0.783 9.299 0.408 1.00 0.58 O ATOM 1531 CB PRO A 95 -1.760 9.470 3.352 1.00 0.63 C ATOM 1532 CG PRO A 95 -1.256 10.589 4.180 1.00 0.63 C ATOM 1533 CD PRO A 95 -0.011 10.048 4.816 1.00 0.54 C ATOM 0 HA PRO A 95 -0.605 7.805 2.490 1.00 0.53 H new ATOM 0 HB2 PRO A 95 -2.441 9.823 2.577 1.00 0.63 H new ATOM 0 HB3 PRO A 95 -2.309 8.745 3.953 1.00 0.63 H new ATOM 0 HG2 PRO A 95 -1.042 11.468 3.573 1.00 0.63 H new ATOM 0 HG3 PRO A 95 -1.987 10.890 4.930 1.00 0.63 H new ATOM 0 HD2 PRO A 95 0.716 10.835 5.014 1.00 0.54 H new ATOM 0 HD3 PRO A 95 -0.222 9.562 5.768 1.00 0.54 H new ATOM 1541 N GLN A 96 0.922 10.332 1.454 1.00 0.48 N ATOM 1542 CA GLN A 96 1.365 11.046 0.266 1.00 0.50 C ATOM 1543 C GLN A 96 2.235 10.138 -0.598 1.00 0.54 C ATOM 1544 O GLN A 96 2.650 10.506 -1.697 1.00 0.62 O ATOM 1545 CB GLN A 96 2.139 12.300 0.663 1.00 0.53 C ATOM 1546 CG GLN A 96 2.263 13.329 -0.448 1.00 1.09 C ATOM 1547 CD GLN A 96 0.919 13.899 -0.854 1.00 1.86 C ATOM 1548 OE1 GLN A 96 0.266 13.401 -1.768 1.00 2.61 O ATOM 1549 NE2 GLN A 96 0.489 14.945 -0.167 1.00 2.52 N ATOM 0 H GLN A 96 1.485 10.509 2.286 1.00 0.48 H new ATOM 0 HA GLN A 96 0.490 11.345 -0.312 1.00 0.50 H new ATOM 0 HB2 GLN A 96 1.647 12.762 1.519 1.00 0.53 H new ATOM 0 HB3 GLN A 96 3.138 12.010 0.988 1.00 0.53 H new ATOM 0 HG2 GLN A 96 2.915 14.139 -0.120 1.00 1.09 H new ATOM 0 HG3 GLN A 96 2.738 12.869 -1.315 1.00 1.09 H new ATOM 0 HE21 GLN A 96 1.060 15.331 0.585 1.00 2.52 H new ATOM 0 HE22 GLN A 96 -0.413 15.366 -0.390 1.00 2.52 H new ATOM 1558 N LEU A 97 2.520 8.951 -0.079 1.00 0.54 N ATOM 1559 CA LEU A 97 3.219 7.938 -0.844 1.00 0.67 C ATOM 1560 C LEU A 97 2.301 7.400 -1.932 1.00 0.73 C ATOM 1561 O LEU A 97 1.155 7.026 -1.660 1.00 1.41 O ATOM 1562 CB LEU A 97 3.677 6.793 0.067 1.00 0.84 C ATOM 1563 CG LEU A 97 4.692 7.172 1.147 1.00 1.07 C ATOM 1564 CD1 LEU A 97 5.054 5.952 1.982 1.00 1.56 C ATOM 1565 CD2 LEU A 97 5.942 7.773 0.524 1.00 1.50 C ATOM 0 H LEU A 97 2.276 8.670 0.871 1.00 0.54 H new ATOM 0 HA LEU A 97 4.101 8.388 -1.300 1.00 0.67 H new ATOM 0 HB2 LEU A 97 2.800 6.366 0.552 1.00 0.84 H new ATOM 0 HB3 LEU A 97 4.110 6.009 -0.555 1.00 0.84 H new ATOM 0 HG LEU A 97 4.238 7.921 1.796 1.00 1.07 H new ATOM 0 HD11 LEU A 97 5.777 6.236 2.747 1.00 1.56 H new ATOM 0 HD12 LEU A 97 4.157 5.559 2.459 1.00 1.56 H new ATOM 0 HD13 LEU A 97 5.488 5.187 1.339 1.00 1.56 H new ATOM 0 HD21 LEU A 97 6.650 8.035 1.310 1.00 1.50 H new ATOM 0 HD22 LEU A 97 6.399 7.047 -0.148 1.00 1.50 H new ATOM 0 HD23 LEU A 97 5.674 8.669 -0.037 1.00 1.50 H new ATOM 1577 N HIS A 98 2.800 7.403 -3.163 1.00 0.47 N ATOM 1578 CA HIS A 98 2.062 6.873 -4.303 1.00 0.43 C ATOM 1579 C HIS A 98 1.566 5.465 -4.014 1.00 0.49 C ATOM 1580 O HIS A 98 2.332 4.595 -3.589 1.00 0.89 O ATOM 1581 CB HIS A 98 2.937 6.882 -5.556 1.00 0.49 C ATOM 1582 CG HIS A 98 3.253 8.263 -6.038 1.00 0.44 C ATOM 1583 ND1 HIS A 98 4.067 9.101 -5.319 1.00 0.45 N ATOM 1584 CD2 HIS A 98 2.817 8.910 -7.144 1.00 0.56 C ATOM 1585 CE1 HIS A 98 4.106 10.237 -5.991 1.00 0.45 C ATOM 1586 NE2 HIS A 98 3.363 10.169 -7.108 1.00 0.51 N ATOM 0 H HIS A 98 3.722 7.771 -3.398 1.00 0.47 H new ATOM 0 HA HIS A 98 1.197 7.513 -4.478 1.00 0.43 H new ATOM 0 HB2 HIS A 98 3.867 6.354 -5.347 1.00 0.49 H new ATOM 0 HB3 HIS A 98 2.431 6.333 -6.350 1.00 0.49 H new ATOM 0 HD2 HIS A 98 2.165 8.512 -7.908 1.00 0.56 H new ATOM 0 HE1 HIS A 98 4.664 11.109 -5.682 1.00 0.45 H new ATOM 0 HE2 HIS A 98 3.230 10.910 -7.796 1.00 0.51 H new ATOM 1594 N CYS A 99 0.274 5.264 -4.235 1.00 0.34 N ATOM 1595 CA CYS A 99 -0.380 4.008 -3.912 1.00 0.36 C ATOM 1596 C CYS A 99 0.174 2.860 -4.738 1.00 0.34 C ATOM 1597 O CYS A 99 0.558 3.033 -5.897 1.00 0.43 O ATOM 1598 CB CYS A 99 -1.880 4.132 -4.140 1.00 0.44 C ATOM 1599 SG CYS A 99 -2.679 5.385 -3.114 1.00 0.55 S ATOM 0 H CYS A 99 -0.346 5.965 -4.641 1.00 0.34 H new ATOM 0 HA CYS A 99 -0.185 3.790 -2.862 1.00 0.36 H new ATOM 0 HB2 CYS A 99 -2.059 4.368 -5.189 1.00 0.44 H new ATOM 0 HB3 CYS A 99 -2.347 3.167 -3.946 1.00 0.44 H new ATOM 0 HG CYS A 99 -3.899 5.568 -3.524 1.00 0.55 H new ATOM 1605 N LEU A 100 0.198 1.689 -4.128 1.00 0.25 N ATOM 1606 CA LEU A 100 0.728 0.502 -4.759 1.00 0.24 C ATOM 1607 C LEU A 100 -0.242 0.001 -5.817 1.00 0.23 C ATOM 1608 O LEU A 100 -1.418 -0.217 -5.526 1.00 0.31 O ATOM 1609 CB LEU A 100 0.966 -0.575 -3.701 1.00 0.30 C ATOM 1610 CG LEU A 100 1.668 -1.835 -4.195 1.00 0.31 C ATOM 1611 CD1 LEU A 100 3.040 -1.494 -4.752 1.00 0.32 C ATOM 1612 CD2 LEU A 100 1.789 -2.844 -3.070 1.00 0.47 C ATOM 0 H LEU A 100 -0.150 1.538 -3.181 1.00 0.25 H new ATOM 0 HA LEU A 100 1.676 0.739 -5.242 1.00 0.24 H new ATOM 0 HB2 LEU A 100 1.558 -0.143 -2.894 1.00 0.30 H new ATOM 0 HB3 LEU A 100 0.004 -0.859 -3.274 1.00 0.30 H new ATOM 0 HG LEU A 100 1.071 -2.275 -4.994 1.00 0.31 H new ATOM 0 HD11 LEU A 100 3.528 -2.404 -5.100 1.00 0.32 H new ATOM 0 HD12 LEU A 100 2.932 -0.799 -5.585 1.00 0.32 H new ATOM 0 HD13 LEU A 100 3.646 -1.034 -3.971 1.00 0.32 H new ATOM 0 HD21 LEU A 100 2.292 -3.739 -3.436 1.00 0.47 H new ATOM 0 HD22 LEU A 100 2.367 -2.411 -2.254 1.00 0.47 H new ATOM 0 HD23 LEU A 100 0.795 -3.108 -2.710 1.00 0.47 H new ATOM 1624 N ASN A 101 0.251 -0.166 -7.038 1.00 0.21 N ATOM 1625 CA ASN A 101 -0.579 -0.631 -8.138 1.00 0.22 C ATOM 1626 C ASN A 101 -0.521 -2.148 -8.210 1.00 0.22 C ATOM 1627 O ASN A 101 0.430 -2.726 -8.761 1.00 0.22 O ATOM 1628 CB ASN A 101 -0.116 -0.023 -9.466 1.00 0.26 C ATOM 1629 CG ASN A 101 -1.079 -0.301 -10.603 1.00 0.30 C ATOM 1630 OD1 ASN A 101 -0.972 -1.311 -11.299 1.00 1.04 O ATOM 1631 ND2 ASN A 101 -2.024 0.600 -10.804 1.00 1.06 N ATOM 0 H ASN A 101 1.223 0.014 -7.290 1.00 0.21 H new ATOM 0 HA ASN A 101 -1.606 -0.313 -7.960 1.00 0.22 H new ATOM 0 HB2 ASN A 101 -0.001 1.054 -9.347 1.00 0.26 H new ATOM 0 HB3 ASN A 101 0.866 -0.422 -9.721 1.00 0.26 H new ATOM 0 HD21 ASN A 101 -2.699 0.472 -11.558 1.00 1.06 H new ATOM 0 HD22 ASN A 101 -2.079 1.424 -10.205 1.00 1.06 H new ATOM 1638 N VAL A 102 -1.523 -2.781 -7.616 1.00 0.25 N ATOM 1639 CA VAL A 102 -1.595 -4.232 -7.548 1.00 0.32 C ATOM 1640 C VAL A 102 -2.984 -4.726 -7.919 1.00 0.38 C ATOM 1641 O VAL A 102 -3.811 -3.970 -8.441 1.00 0.37 O ATOM 1642 CB VAL A 102 -1.248 -4.748 -6.134 1.00 0.35 C ATOM 1643 CG1 VAL A 102 0.228 -4.588 -5.853 1.00 0.36 C ATOM 1644 CG2 VAL A 102 -2.064 -4.022 -5.078 1.00 0.32 C ATOM 0 H VAL A 102 -2.306 -2.304 -7.169 1.00 0.25 H new ATOM 0 HA VAL A 102 -0.866 -4.618 -8.260 1.00 0.32 H new ATOM 0 HB VAL A 102 -1.497 -5.809 -6.094 1.00 0.35 H new ATOM 0 HG11 VAL A 102 0.450 -4.958 -4.852 1.00 0.36 H new ATOM 0 HG12 VAL A 102 0.801 -5.156 -6.585 1.00 0.36 H new ATOM 0 HG13 VAL A 102 0.499 -3.534 -5.919 1.00 0.36 H new ATOM 0 HG21 VAL A 102 -1.802 -4.402 -4.091 1.00 0.32 H new ATOM 0 HG22 VAL A 102 -1.850 -2.954 -5.124 1.00 0.32 H new ATOM 0 HG23 VAL A 102 -3.126 -4.188 -5.261 1.00 0.32 H new ATOM 1654 N GLY A 103 -3.233 -5.997 -7.646 1.00 0.50 N ATOM 1655 CA GLY A 103 -4.525 -6.578 -7.919 1.00 0.60 C ATOM 1656 C GLY A 103 -4.588 -7.156 -9.312 1.00 0.69 C ATOM 1657 O GLY A 103 -4.498 -8.370 -9.499 1.00 0.82 O ATOM 0 H GLY A 103 -2.555 -6.640 -7.237 1.00 0.50 H new ATOM 0 HA2 GLY A 103 -4.735 -7.360 -7.189 1.00 0.60 H new ATOM 0 HA3 GLY A 103 -5.298 -5.819 -7.804 1.00 0.60 H new ATOM 1661 N SER A 104 -4.750 -6.281 -10.287 1.00 0.69 N ATOM 1662 CA SER A 104 -4.799 -6.681 -11.677 1.00 0.79 C ATOM 1663 C SER A 104 -4.359 -5.518 -12.557 1.00 0.82 C ATOM 1664 O SER A 104 -4.413 -4.357 -12.141 1.00 0.75 O ATOM 1665 CB SER A 104 -6.219 -7.122 -12.038 1.00 0.95 C ATOM 1666 OG SER A 104 -6.291 -7.610 -13.364 1.00 1.63 O ATOM 0 H SER A 104 -4.851 -5.277 -10.137 1.00 0.69 H new ATOM 0 HA SER A 104 -4.123 -7.520 -11.841 1.00 0.79 H new ATOM 0 HB2 SER A 104 -6.547 -7.898 -11.346 1.00 0.95 H new ATOM 0 HB3 SER A 104 -6.903 -6.281 -11.921 1.00 0.95 H new ATOM 0 HG SER A 104 -7.164 -8.030 -13.511 1.00 1.63 H new ATOM 1672 N SER A 105 -3.926 -5.826 -13.769 1.00 0.99 N ATOM 1673 CA SER A 105 -3.545 -4.799 -14.720 1.00 1.12 C ATOM 1674 C SER A 105 -4.783 -4.194 -15.379 1.00 1.19 C ATOM 1675 O SER A 105 -4.759 -3.057 -15.848 1.00 1.31 O ATOM 1676 CB SER A 105 -2.602 -5.396 -15.760 1.00 1.36 C ATOM 1677 OG SER A 105 -3.006 -6.710 -16.118 1.00 1.63 O ATOM 0 H SER A 105 -3.830 -6.780 -14.116 1.00 0.99 H new ATOM 0 HA SER A 105 -3.025 -3.996 -14.197 1.00 1.12 H new ATOM 0 HB2 SER A 105 -2.585 -4.763 -16.647 1.00 1.36 H new ATOM 0 HB3 SER A 105 -1.586 -5.419 -15.365 1.00 1.36 H new ATOM 0 HG SER A 105 -2.388 -7.071 -16.787 1.00 1.63 H new ATOM 1683 N ILE A 106 -5.867 -4.959 -15.406 1.00 1.22 N ATOM 1684 CA ILE A 106 -7.136 -4.466 -15.926 1.00 1.35 C ATOM 1685 C ILE A 106 -8.023 -3.974 -14.783 1.00 1.21 C ATOM 1686 O ILE A 106 -8.932 -3.168 -14.981 1.00 1.38 O ATOM 1687 CB ILE A 106 -7.876 -5.547 -16.741 1.00 1.52 C ATOM 1688 CG1 ILE A 106 -8.075 -6.819 -15.907 1.00 1.94 C ATOM 1689 CG2 ILE A 106 -7.107 -5.855 -18.019 1.00 1.92 C ATOM 1690 CD1 ILE A 106 -8.786 -7.929 -16.651 1.00 2.18 C ATOM 0 H ILE A 106 -5.893 -5.923 -15.074 1.00 1.22 H new ATOM 0 HA ILE A 106 -6.916 -3.634 -16.595 1.00 1.35 H new ATOM 0 HB ILE A 106 -8.861 -5.166 -17.009 1.00 1.52 H new ATOM 0 HG12 ILE A 106 -7.102 -7.181 -15.575 1.00 1.94 H new ATOM 0 HG13 ILE A 106 -8.645 -6.570 -15.012 1.00 1.94 H new ATOM 0 HG21 ILE A 106 -7.637 -6.619 -18.587 1.00 1.92 H new ATOM 0 HG22 ILE A 106 -7.022 -4.949 -18.620 1.00 1.92 H new ATOM 0 HG23 ILE A 106 -6.111 -6.217 -17.766 1.00 1.92 H new ATOM 0 HD11 ILE A 106 -8.891 -8.796 -15.998 1.00 2.18 H new ATOM 0 HD12 ILE A 106 -9.773 -7.586 -16.960 1.00 2.18 H new ATOM 0 HD13 ILE A 106 -8.207 -8.206 -17.532 1.00 2.18 H new ATOM 1702 N LYS A 107 -7.745 -4.470 -13.586 1.00 0.98 N ATOM 1703 CA LYS A 107 -8.434 -4.019 -12.385 1.00 0.86 C ATOM 1704 C LYS A 107 -7.409 -3.619 -11.336 1.00 0.69 C ATOM 1705 O LYS A 107 -7.038 -4.418 -10.475 1.00 0.64 O ATOM 1706 CB LYS A 107 -9.331 -5.126 -11.832 1.00 0.93 C ATOM 1707 CG LYS A 107 -10.209 -4.663 -10.683 1.00 0.89 C ATOM 1708 CD LYS A 107 -10.850 -5.834 -9.965 1.00 1.01 C ATOM 1709 CE LYS A 107 -11.799 -5.367 -8.876 1.00 1.00 C ATOM 1710 NZ LYS A 107 -11.139 -4.457 -7.901 1.00 1.41 N ATOM 0 H LYS A 107 -7.042 -5.190 -13.420 1.00 0.98 H new ATOM 0 HA LYS A 107 -9.058 -3.161 -12.638 1.00 0.86 H new ATOM 0 HB2 LYS A 107 -9.963 -5.507 -12.634 1.00 0.93 H new ATOM 0 HB3 LYS A 107 -8.709 -5.955 -11.495 1.00 0.93 H new ATOM 0 HG2 LYS A 107 -9.612 -4.085 -9.978 1.00 0.89 H new ATOM 0 HG3 LYS A 107 -10.985 -3.999 -11.062 1.00 0.89 H new ATOM 0 HD2 LYS A 107 -11.393 -6.449 -10.683 1.00 1.01 H new ATOM 0 HD3 LYS A 107 -10.074 -6.463 -9.528 1.00 1.01 H new ATOM 0 HE2 LYS A 107 -12.646 -4.854 -9.331 1.00 1.00 H new ATOM 0 HE3 LYS A 107 -12.197 -6.234 -8.348 1.00 1.00 H new ATOM 0 HZ1 LYS A 107 -11.763 -4.314 -7.082 1.00 1.41 H new ATOM 0 HZ2 LYS A 107 -10.243 -4.879 -7.584 1.00 1.41 H new ATOM 0 HZ3 LYS A 107 -10.949 -3.541 -8.355 1.00 1.41 H new ATOM 1724 N SER A 108 -6.945 -2.386 -11.411 1.00 0.64 N ATOM 1725 CA SER A 108 -5.920 -1.915 -10.502 1.00 0.52 C ATOM 1726 C SER A 108 -6.530 -1.455 -9.189 1.00 0.44 C ATOM 1727 O SER A 108 -7.551 -0.765 -9.168 1.00 0.46 O ATOM 1728 CB SER A 108 -5.110 -0.784 -11.146 1.00 0.55 C ATOM 1729 OG SER A 108 -4.425 -1.256 -12.297 1.00 1.25 O ATOM 0 H SER A 108 -7.261 -1.694 -12.091 1.00 0.64 H new ATOM 0 HA SER A 108 -5.246 -2.745 -10.289 1.00 0.52 H new ATOM 0 HB2 SER A 108 -5.774 0.036 -11.421 1.00 0.55 H new ATOM 0 HB3 SER A 108 -4.394 -0.386 -10.427 1.00 0.55 H new ATOM 0 HG SER A 108 -4.413 -2.236 -12.292 1.00 1.25 H new ATOM 1735 N ILE A 109 -5.908 -1.867 -8.101 1.00 0.37 N ATOM 1736 CA ILE A 109 -6.294 -1.417 -6.780 1.00 0.33 C ATOM 1737 C ILE A 109 -5.141 -0.647 -6.169 1.00 0.30 C ATOM 1738 O ILE A 109 -3.981 -1.045 -6.305 1.00 0.28 O ATOM 1739 CB ILE A 109 -6.674 -2.587 -5.845 1.00 0.34 C ATOM 1740 CG1 ILE A 109 -5.566 -3.643 -5.845 1.00 0.39 C ATOM 1741 CG2 ILE A 109 -8.005 -3.197 -6.256 1.00 0.37 C ATOM 1742 CD1 ILE A 109 -5.752 -4.743 -4.824 1.00 0.44 C ATOM 0 H ILE A 109 -5.125 -2.520 -8.109 1.00 0.37 H new ATOM 0 HA ILE A 109 -7.176 -0.785 -6.888 1.00 0.33 H new ATOM 0 HB ILE A 109 -6.783 -2.201 -4.832 1.00 0.34 H new ATOM 0 HG12 ILE A 109 -5.507 -4.091 -6.837 1.00 0.39 H new ATOM 0 HG13 ILE A 109 -4.611 -3.150 -5.661 1.00 0.39 H new ATOM 0 HG21 ILE A 109 -8.252 -4.019 -5.584 1.00 0.37 H new ATOM 0 HG22 ILE A 109 -8.785 -2.438 -6.203 1.00 0.37 H new ATOM 0 HG23 ILE A 109 -7.933 -3.573 -7.277 1.00 0.37 H new ATOM 0 HD11 ILE A 109 -4.923 -5.447 -4.893 1.00 0.44 H new ATOM 0 HD12 ILE A 109 -5.779 -4.310 -3.824 1.00 0.44 H new ATOM 0 HD13 ILE A 109 -6.689 -5.265 -5.018 1.00 0.44 H new ATOM 1754 N LEU A 110 -5.453 0.462 -5.537 1.00 0.30 N ATOM 1755 CA LEU A 110 -4.436 1.295 -4.933 1.00 0.29 C ATOM 1756 C LEU A 110 -4.379 1.037 -3.436 1.00 0.25 C ATOM 1757 O LEU A 110 -5.362 1.225 -2.723 1.00 0.26 O ATOM 1758 CB LEU A 110 -4.722 2.775 -5.210 1.00 0.35 C ATOM 1759 CG LEU A 110 -4.421 3.261 -6.633 1.00 0.45 C ATOM 1760 CD1 LEU A 110 -5.390 2.664 -7.647 1.00 0.96 C ATOM 1761 CD2 LEU A 110 -4.468 4.779 -6.685 1.00 1.32 C ATOM 0 H LEU A 110 -6.406 0.809 -5.427 1.00 0.30 H new ATOM 0 HA LEU A 110 -3.470 1.045 -5.371 1.00 0.29 H new ATOM 0 HB2 LEU A 110 -5.773 2.968 -4.996 1.00 0.35 H new ATOM 0 HB3 LEU A 110 -4.139 3.375 -4.511 1.00 0.35 H new ATOM 0 HG LEU A 110 -3.419 2.924 -6.898 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -5.146 3.031 -8.644 1.00 0.96 H new ATOM 0 HD12 LEU A 110 -5.310 1.577 -7.631 1.00 0.96 H new ATOM 0 HD13 LEU A 110 -6.409 2.956 -7.392 1.00 0.96 H new ATOM 0 HD21 LEU A 110 -4.253 5.115 -7.699 1.00 1.32 H new ATOM 0 HD22 LEU A 110 -5.460 5.123 -6.391 1.00 1.32 H new ATOM 0 HD23 LEU A 110 -3.725 5.190 -6.002 1.00 1.32 H new ATOM 1773 N LEU A 111 -3.220 0.615 -2.962 1.00 0.23 N ATOM 1774 CA LEU A 111 -3.058 0.275 -1.561 1.00 0.23 C ATOM 1775 C LEU A 111 -1.853 0.992 -0.979 1.00 0.24 C ATOM 1776 O LEU A 111 -0.816 1.104 -1.630 1.00 0.22 O ATOM 1777 CB LEU A 111 -2.897 -1.243 -1.398 1.00 0.22 C ATOM 1778 CG LEU A 111 -4.130 -2.071 -1.773 1.00 0.23 C ATOM 1779 CD1 LEU A 111 -3.828 -3.557 -1.681 1.00 0.23 C ATOM 1780 CD2 LEU A 111 -5.306 -1.713 -0.876 1.00 0.28 C ATOM 0 H LEU A 111 -2.378 0.500 -3.527 1.00 0.23 H new ATOM 0 HA LEU A 111 -3.950 0.595 -1.022 1.00 0.23 H new ATOM 0 HB2 LEU A 111 -2.058 -1.572 -2.011 1.00 0.22 H new ATOM 0 HB3 LEU A 111 -2.637 -1.456 -0.361 1.00 0.22 H new ATOM 0 HG LEU A 111 -4.396 -1.838 -2.804 1.00 0.23 H new ATOM 0 HD11 LEU A 111 -4.717 -4.126 -1.951 1.00 0.23 H new ATOM 0 HD12 LEU A 111 -3.016 -3.806 -2.364 1.00 0.23 H new ATOM 0 HD13 LEU A 111 -3.534 -3.806 -0.661 1.00 0.23 H new ATOM 0 HD21 LEU A 111 -6.173 -2.311 -1.157 1.00 0.28 H new ATOM 0 HD22 LEU A 111 -5.046 -1.916 0.163 1.00 0.28 H new ATOM 0 HD23 LEU A 111 -5.542 -0.655 -0.991 1.00 0.28 H new ATOM 1792 N PRO A 112 -1.980 1.523 0.244 1.00 0.29 N ATOM 1793 CA PRO A 112 -0.859 2.137 0.944 1.00 0.32 C ATOM 1794 C PRO A 112 0.259 1.129 1.163 1.00 0.28 C ATOM 1795 O PRO A 112 0.102 0.170 1.922 1.00 0.29 O ATOM 1796 CB PRO A 112 -1.452 2.595 2.281 1.00 0.41 C ATOM 1797 CG PRO A 112 -2.727 1.835 2.427 1.00 0.36 C ATOM 1798 CD PRO A 112 -3.220 1.571 1.032 1.00 0.36 C ATOM 0 HA PRO A 112 -0.417 2.960 0.382 1.00 0.32 H new ATOM 0 HB2 PRO A 112 -0.772 2.384 3.106 1.00 0.41 H new ATOM 0 HB3 PRO A 112 -1.632 3.670 2.284 1.00 0.41 H new ATOM 0 HG2 PRO A 112 -2.564 0.901 2.965 1.00 0.36 H new ATOM 0 HG3 PRO A 112 -3.459 2.408 2.997 1.00 0.36 H new ATOM 0 HD2 PRO A 112 -3.773 0.634 0.971 1.00 0.36 H new ATOM 0 HD3 PRO A 112 -3.888 2.359 0.685 1.00 0.36 H new ATOM 1806 N ILE A 113 1.379 1.348 0.478 1.00 0.27 N ATOM 1807 CA ILE A 113 2.525 0.443 0.537 1.00 0.28 C ATOM 1808 C ILE A 113 3.013 0.258 1.983 1.00 0.26 C ATOM 1809 O ILE A 113 3.672 -0.728 2.304 1.00 0.29 O ATOM 1810 CB ILE A 113 3.671 0.930 -0.393 1.00 0.35 C ATOM 1811 CG1 ILE A 113 4.834 -0.061 -0.400 1.00 0.47 C ATOM 1812 CG2 ILE A 113 4.151 2.318 0.014 1.00 0.36 C ATOM 1813 CD1 ILE A 113 5.880 0.252 -1.449 1.00 0.69 C ATOM 0 H ILE A 113 1.518 2.154 -0.131 1.00 0.27 H new ATOM 0 HA ILE A 113 2.200 -0.532 0.175 1.00 0.28 H new ATOM 0 HB ILE A 113 3.273 0.990 -1.406 1.00 0.35 H new ATOM 0 HG12 ILE A 113 5.305 -0.065 0.583 1.00 0.47 H new ATOM 0 HG13 ILE A 113 4.446 -1.065 -0.572 1.00 0.47 H new ATOM 0 HG21 ILE A 113 4.953 2.636 -0.652 1.00 0.36 H new ATOM 0 HG22 ILE A 113 3.323 3.024 -0.053 1.00 0.36 H new ATOM 0 HG23 ILE A 113 4.521 2.289 1.039 1.00 0.36 H new ATOM 0 HD11 ILE A 113 6.677 -0.489 -1.400 1.00 0.69 H new ATOM 0 HD12 ILE A 113 5.422 0.228 -2.438 1.00 0.69 H new ATOM 0 HD13 ILE A 113 6.294 1.243 -1.265 1.00 0.69 H new ATOM 1825 N GLU A 114 2.673 1.213 2.848 1.00 0.27 N ATOM 1826 CA GLU A 114 2.918 1.103 4.287 1.00 0.34 C ATOM 1827 C GLU A 114 2.363 -0.216 4.855 1.00 0.33 C ATOM 1828 O GLU A 114 2.985 -0.841 5.717 1.00 0.42 O ATOM 1829 CB GLU A 114 2.277 2.312 4.996 1.00 0.38 C ATOM 1830 CG GLU A 114 1.611 1.995 6.331 1.00 0.45 C ATOM 1831 CD GLU A 114 2.288 2.659 7.511 1.00 1.16 C ATOM 1832 OE1 GLU A 114 3.377 2.201 7.912 1.00 1.74 O ATOM 1833 OE2 GLU A 114 1.723 3.635 8.059 1.00 1.77 O ATOM 0 H GLU A 114 2.220 2.084 2.572 1.00 0.27 H new ATOM 0 HA GLU A 114 3.994 1.100 4.463 1.00 0.34 H new ATOM 0 HB2 GLU A 114 3.045 3.068 5.160 1.00 0.38 H new ATOM 0 HB3 GLU A 114 1.534 2.752 4.331 1.00 0.38 H new ATOM 0 HG2 GLU A 114 0.569 2.312 6.293 1.00 0.45 H new ATOM 0 HG3 GLU A 114 1.611 0.915 6.482 1.00 0.45 H new ATOM 1840 N LEU A 115 1.209 -0.642 4.343 1.00 0.27 N ATOM 1841 CA LEU A 115 0.528 -1.838 4.845 1.00 0.31 C ATOM 1842 C LEU A 115 0.830 -3.038 3.968 1.00 0.26 C ATOM 1843 O LEU A 115 0.278 -4.124 4.160 1.00 0.30 O ATOM 1844 CB LEU A 115 -0.982 -1.599 4.891 1.00 0.44 C ATOM 1845 CG LEU A 115 -1.424 -0.458 5.805 1.00 0.50 C ATOM 1846 CD1 LEU A 115 -2.868 -0.089 5.525 1.00 0.95 C ATOM 1847 CD2 LEU A 115 -1.255 -0.841 7.267 1.00 0.80 C ATOM 0 H LEU A 115 0.723 -0.175 3.577 1.00 0.27 H new ATOM 0 HA LEU A 115 0.893 -2.043 5.851 1.00 0.31 H new ATOM 0 HB2 LEU A 115 -1.334 -1.393 3.880 1.00 0.44 H new ATOM 0 HB3 LEU A 115 -1.471 -2.517 5.217 1.00 0.44 H new ATOM 0 HG LEU A 115 -0.793 0.407 5.601 1.00 0.50 H new ATOM 0 HD11 LEU A 115 -3.170 0.725 6.184 1.00 0.95 H new ATOM 0 HD12 LEU A 115 -2.968 0.228 4.487 1.00 0.95 H new ATOM 0 HD13 LEU A 115 -3.506 -0.955 5.703 1.00 0.95 H new ATOM 0 HD21 LEU A 115 -1.576 -0.013 7.899 1.00 0.80 H new ATOM 0 HD22 LEU A 115 -1.861 -1.720 7.485 1.00 0.80 H new ATOM 0 HD23 LEU A 115 -0.207 -1.064 7.466 1.00 0.80 H new ATOM 1859 N CYS A 116 1.704 -2.834 3.005 1.00 0.23 N ATOM 1860 CA CYS A 116 2.149 -3.911 2.151 1.00 0.24 C ATOM 1861 C CYS A 116 3.500 -4.395 2.640 1.00 0.24 C ATOM 1862 O CYS A 116 4.311 -3.611 3.133 1.00 0.37 O ATOM 1863 CB CYS A 116 2.228 -3.440 0.699 1.00 0.25 C ATOM 1864 SG CYS A 116 0.724 -2.613 0.129 1.00 0.28 S ATOM 0 H CYS A 116 2.121 -1.927 2.795 1.00 0.23 H new ATOM 0 HA CYS A 116 1.437 -4.735 2.192 1.00 0.24 H new ATOM 0 HB2 CYS A 116 3.072 -2.758 0.591 1.00 0.25 H new ATOM 0 HB3 CYS A 116 2.428 -4.298 0.057 1.00 0.25 H new ATOM 0 HG CYS A 116 0.540 -1.525 0.817 1.00 0.28 H new ATOM 1870 N SER A 117 3.735 -5.681 2.542 1.00 0.22 N ATOM 1871 CA SER A 117 4.956 -6.256 3.050 1.00 0.25 C ATOM 1872 C SER A 117 5.567 -7.219 2.042 1.00 0.27 C ATOM 1873 O SER A 117 4.870 -8.026 1.435 1.00 0.35 O ATOM 1874 CB SER A 117 4.652 -6.941 4.383 1.00 0.27 C ATOM 1875 OG SER A 117 5.559 -7.992 4.660 1.00 0.34 O ATOM 0 H SER A 117 3.095 -6.350 2.114 1.00 0.22 H new ATOM 0 HA SER A 117 5.696 -5.473 3.214 1.00 0.25 H new ATOM 0 HB2 SER A 117 4.694 -6.205 5.186 1.00 0.27 H new ATOM 0 HB3 SER A 117 3.636 -7.335 4.364 1.00 0.27 H new ATOM 0 HG SER A 117 5.331 -8.402 5.520 1.00 0.34 H new ATOM 1881 N ILE A 118 6.871 -7.114 1.861 1.00 0.23 N ATOM 1882 CA ILE A 118 7.583 -7.944 0.911 1.00 0.22 C ATOM 1883 C ILE A 118 7.782 -9.341 1.475 1.00 0.24 C ATOM 1884 O ILE A 118 8.262 -9.509 2.602 1.00 0.28 O ATOM 1885 CB ILE A 118 8.949 -7.324 0.542 1.00 0.24 C ATOM 1886 CG1 ILE A 118 8.739 -6.087 -0.331 1.00 0.41 C ATOM 1887 CG2 ILE A 118 9.852 -8.332 -0.158 1.00 0.25 C ATOM 1888 CD1 ILE A 118 10.018 -5.529 -0.917 1.00 0.50 C ATOM 0 H ILE A 118 7.462 -6.454 2.366 1.00 0.23 H new ATOM 0 HA ILE A 118 6.981 -8.007 0.005 1.00 0.22 H new ATOM 0 HB ILE A 118 9.449 -7.028 1.464 1.00 0.24 H new ATOM 0 HG12 ILE A 118 8.057 -6.339 -1.144 1.00 0.41 H new ATOM 0 HG13 ILE A 118 8.254 -5.312 0.263 1.00 0.41 H new ATOM 0 HG21 ILE A 118 10.804 -7.860 -0.402 1.00 0.25 H new ATOM 0 HG22 ILE A 118 10.027 -9.182 0.501 1.00 0.25 H new ATOM 0 HG23 ILE A 118 9.372 -8.676 -1.074 1.00 0.25 H new ATOM 0 HD11 ILE A 118 9.788 -4.653 -1.524 1.00 0.50 H new ATOM 0 HD12 ILE A 118 10.694 -5.245 -0.111 1.00 0.50 H new ATOM 0 HD13 ILE A 118 10.494 -6.287 -1.539 1.00 0.50 H new ATOM 1900 N GLU A 119 7.387 -10.336 0.696 1.00 0.35 N ATOM 1901 CA GLU A 119 7.551 -11.718 1.091 1.00 0.49 C ATOM 1902 C GLU A 119 9.002 -12.144 0.917 1.00 0.52 C ATOM 1903 O GLU A 119 9.652 -11.818 -0.078 1.00 0.63 O ATOM 1904 CB GLU A 119 6.632 -12.616 0.267 1.00 0.72 C ATOM 1905 CG GLU A 119 6.636 -14.063 0.729 1.00 1.01 C ATOM 1906 CD GLU A 119 5.754 -14.948 -0.122 1.00 1.60 C ATOM 1907 OE1 GLU A 119 6.210 -15.380 -1.198 1.00 2.30 O ATOM 1908 OE2 GLU A 119 4.598 -15.205 0.275 1.00 1.77 O ATOM 0 H GLU A 119 6.949 -10.207 -0.216 1.00 0.35 H new ATOM 0 HA GLU A 119 7.281 -11.817 2.142 1.00 0.49 H new ATOM 0 HB2 GLU A 119 5.615 -12.228 0.318 1.00 0.72 H new ATOM 0 HB3 GLU A 119 6.937 -12.575 -0.779 1.00 0.72 H new ATOM 0 HG2 GLU A 119 7.657 -14.445 0.707 1.00 1.01 H new ATOM 0 HG3 GLU A 119 6.300 -14.111 1.765 1.00 1.01 H new ATOM 1915 N GLU A 120 9.486 -12.888 1.903 1.00 0.67 N ATOM 1916 CA GLU A 120 10.877 -13.327 1.971 1.00 0.86 C ATOM 1917 C GLU A 120 11.281 -14.161 0.756 1.00 1.01 C ATOM 1918 O GLU A 120 12.464 -14.277 0.444 1.00 1.25 O ATOM 1919 CB GLU A 120 11.076 -14.151 3.240 1.00 1.16 C ATOM 1920 CG GLU A 120 10.186 -15.384 3.294 1.00 1.77 C ATOM 1921 CD GLU A 120 10.177 -16.044 4.652 1.00 2.40 C ATOM 1922 OE1 GLU A 120 11.037 -16.909 4.910 1.00 2.91 O ATOM 1923 OE2 GLU A 120 9.297 -15.706 5.468 1.00 2.64 O ATOM 0 H GLU A 120 8.919 -13.208 2.688 1.00 0.67 H new ATOM 0 HA GLU A 120 11.508 -12.438 1.982 1.00 0.86 H new ATOM 0 HB2 GLU A 120 12.119 -14.460 3.306 1.00 1.16 H new ATOM 0 HB3 GLU A 120 10.873 -13.525 4.109 1.00 1.16 H new ATOM 0 HG2 GLU A 120 9.168 -15.103 3.026 1.00 1.77 H new ATOM 0 HG3 GLU A 120 10.525 -16.103 2.548 1.00 1.77 H new