USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1037 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 120 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 130 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 117 THR OG1 : rot -53:sc= 0.514 USER MOD Set 2.2: A 135 THR OG1 : rot 13:sc= 0.51 USER MOD Set 3.1: A 111 ASN : amide:sc= -1.09 K(o=1.3,f=0.36) USER MOD Set 3.2: A 113 THR OG1 : rot 52:sc= 1.16 USER MOD Set 3.3: A 139 LYS NZ :NH3+ 172:sc= 1.2 (180deg=0) USER MOD Set 4.1: A 78 THR OG1 : rot -120:sc= 0 USER MOD Set 4.2: A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 5.1: A 74 ASN : amide:sc= 0 X(o=0.85,f=0.84) USER MOD Set 5.2: A 75 SER OG : rot -169:sc= 0.85 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 168:sc= -1! (180deg=-1.12!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.214 USER MOD Single : A 18 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.1!) USER MOD Single : A 20 THR OG1 : rot -55:sc= 0.107 USER MOD Single : A 29 THR OG1 : rot 49:sc= 0.268 USER MOD Single : A 31 GLN : amide:sc= -0.542 X(o=-0.54,f=-0.39) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.0295 K(o=-0.03,f=-1.9!) USER MOD Single : A 43 LYS NZ :NH3+ 168:sc= -4.08! (180deg=-4.47!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.75! C(o=-1.8!,f=-5.6!) USER MOD Single : A 51 GLN : amide:sc= -1.25! K(o=-1.2!,f=-0.0069) USER MOD Single : A 53 LYS NZ :NH3+ -128:sc= -0.0108 (180deg=-0.129) USER MOD Single : A 58 SER OG : rot -92:sc= 1.22 USER MOD Single : A 60 ASN : amide:sc=-0.00323 K(o=-0.0032,f=-0.6) USER MOD Single : A 61 ASN : amide:sc= -0.0449 K(o=-0.045,f=-0.63) USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.195) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.966 K(o=0.97,f=-0.75) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 77:sc= 1.31 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 130:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -147:sc= -2.98! (180deg=-4.61!) USER MOD Single : A 91 SER OG : rot 42:sc= 0.0489 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.356 USER MOD Single : A 103 GLN : amide:sc= -5.23! K(o=-5.2!,f=-1.8) USER MOD Single : A 104 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.38) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -2.55 K(o=-2.5,f=-0.79) USER MOD Single : A 107 THR OG1 : rot -170:sc= -2.12! USER MOD Single : A 112 TYR OH : rot 100:sc= -1.75 USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.415 USER MOD Single : A 123 LYS NZ :NH3+ -168:sc= 1.3 (180deg=1.02) USER MOD Single : A 125 ASN : amide:sc= 0.865 K(o=0.86,f=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 SER OG : rot 95:sc= 0.915 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 THR OG1 : rot 77:sc= 0.973 USER MOD Single : A 138 THR OG1 : rot -140:sc= -0.0331 USER MOD Single : A 141 THR OG1 : rot 180:sc= -0.0745 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N CYS A 3 -16.048 1.057 -7.780 1.00 1.08 N ATOM 32 CA CYS A 3 -15.199 1.757 -6.830 1.00 0.96 C ATOM 33 C CYS A 3 -13.841 2.053 -7.443 1.00 0.83 C ATOM 34 O CYS A 3 -12.917 1.247 -7.339 1.00 0.96 O ATOM 35 CB CYS A 3 -15.007 0.932 -5.558 1.00 1.25 C ATOM 36 SG CYS A 3 -16.436 0.921 -4.435 1.00 1.43 S ATOM 0 HA CYS A 3 -15.693 2.695 -6.575 1.00 0.96 H new ATOM 0 HB2 CYS A 3 -14.776 -0.095 -5.839 1.00 1.25 H new ATOM 0 HB3 CYS A 3 -14.142 1.317 -5.019 1.00 1.25 H new ATOM 41 N GLN A 4 -13.720 3.194 -8.100 1.00 0.67 N ATOM 42 CA GLN A 4 -12.449 3.576 -8.688 1.00 0.59 C ATOM 43 C GLN A 4 -11.595 4.297 -7.658 1.00 0.54 C ATOM 44 O GLN A 4 -11.909 5.414 -7.251 1.00 0.53 O ATOM 45 CB GLN A 4 -12.655 4.464 -9.918 1.00 0.59 C ATOM 46 CG GLN A 4 -13.350 3.757 -11.069 1.00 1.45 C ATOM 47 CD GLN A 4 -13.467 4.623 -12.309 1.00 1.65 C ATOM 48 OE1 GLN A 4 -13.568 5.848 -12.223 1.00 2.29 O ATOM 49 NE2 GLN A 4 -13.444 3.993 -13.473 1.00 1.92 N ATOM 0 H GLN A 4 -14.476 3.864 -8.238 1.00 0.67 H new ATOM 0 HA GLN A 4 -11.935 2.669 -9.008 1.00 0.59 H new ATOM 0 HB2 GLN A 4 -13.242 5.337 -9.631 1.00 0.59 H new ATOM 0 HB3 GLN A 4 -11.686 4.829 -10.259 1.00 0.59 H new ATOM 0 HG2 GLN A 4 -12.800 2.849 -11.317 1.00 1.45 H new ATOM 0 HG3 GLN A 4 -14.346 3.449 -10.751 1.00 1.45 H new ATOM 0 HE21 GLN A 4 -13.359 2.977 -13.501 1.00 1.92 H new ATOM 0 HE22 GLN A 4 -13.511 4.524 -14.342 1.00 1.92 H new ATOM 58 N VAL A 5 -10.530 3.638 -7.226 1.00 0.56 N ATOM 59 CA VAL A 5 -9.592 4.232 -6.289 1.00 0.57 C ATOM 60 C VAL A 5 -8.337 4.667 -7.026 1.00 0.57 C ATOM 61 O VAL A 5 -7.640 3.847 -7.628 1.00 0.66 O ATOM 62 CB VAL A 5 -9.221 3.254 -5.156 1.00 0.68 C ATOM 63 CG1 VAL A 5 -8.251 3.899 -4.172 1.00 1.00 C ATOM 64 CG2 VAL A 5 -10.473 2.772 -4.440 1.00 1.51 C ATOM 0 H VAL A 5 -10.294 2.688 -7.512 1.00 0.56 H new ATOM 0 HA VAL A 5 -10.074 5.098 -5.836 1.00 0.57 H new ATOM 0 HB VAL A 5 -8.723 2.392 -5.600 1.00 0.68 H new ATOM 0 HG11 VAL A 5 -8.006 3.188 -3.383 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -7.340 4.188 -4.696 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -8.713 4.783 -3.732 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -10.194 2.083 -3.643 1.00 1.51 H new ATOM 0 HG22 VAL A 5 -11.000 3.626 -4.013 1.00 1.51 H new ATOM 0 HG23 VAL A 5 -11.124 2.262 -5.150 1.00 1.51 H new ATOM 74 N ARG A 6 -8.070 5.960 -6.999 1.00 0.57 N ATOM 75 CA ARG A 6 -6.932 6.520 -7.706 1.00 0.64 C ATOM 76 C ARG A 6 -5.647 6.383 -6.899 1.00 0.58 C ATOM 77 O ARG A 6 -5.476 7.030 -5.865 1.00 0.65 O ATOM 78 CB ARG A 6 -7.182 7.991 -8.037 1.00 0.80 C ATOM 79 CG ARG A 6 -6.017 8.663 -8.751 1.00 1.47 C ATOM 80 CD ARG A 6 -6.340 10.103 -9.103 1.00 1.67 C ATOM 81 NE ARG A 6 -7.480 10.202 -10.012 1.00 1.92 N ATOM 82 CZ ARG A 6 -8.287 11.260 -10.089 1.00 2.75 C ATOM 83 NH1 ARG A 6 -8.059 12.330 -9.327 1.00 3.23 N ATOM 84 NH2 ARG A 6 -9.315 11.249 -10.935 1.00 3.57 N ATOM 0 H ARG A 6 -8.629 6.646 -6.492 1.00 0.57 H new ATOM 0 HA ARG A 6 -6.812 5.957 -8.631 1.00 0.64 H new ATOM 0 HB2 ARG A 6 -8.072 8.068 -8.661 1.00 0.80 H new ATOM 0 HB3 ARG A 6 -7.392 8.532 -7.114 1.00 0.80 H new ATOM 0 HG2 ARG A 6 -5.132 8.632 -8.115 1.00 1.47 H new ATOM 0 HG3 ARG A 6 -5.777 8.110 -9.659 1.00 1.47 H new ATOM 0 HD2 ARG A 6 -6.554 10.660 -8.191 1.00 1.67 H new ATOM 0 HD3 ARG A 6 -5.468 10.568 -9.563 1.00 1.67 H new ATOM 0 HE ARG A 6 -7.670 9.411 -10.627 1.00 1.92 H new ATOM 0 HH11 ARG A 6 -7.267 12.339 -8.685 1.00 3.23 H new ATOM 0 HH12 ARG A 6 -8.677 13.139 -9.386 1.00 3.23 H new ATOM 0 HH21 ARG A 6 -9.483 10.432 -11.522 1.00 3.57 H new ATOM 0 HH22 ARG A 6 -9.934 12.057 -10.996 1.00 3.57 H new ATOM 98 N VAL A 7 -4.768 5.514 -7.368 1.00 0.58 N ATOM 99 CA VAL A 7 -3.416 5.418 -6.844 1.00 0.57 C ATOM 100 C VAL A 7 -2.438 5.689 -7.978 1.00 0.68 C ATOM 101 O VAL A 7 -2.413 4.957 -8.964 1.00 0.85 O ATOM 102 CB VAL A 7 -3.125 4.026 -6.234 1.00 0.64 C ATOM 103 CG1 VAL A 7 -1.715 3.968 -5.663 1.00 1.20 C ATOM 104 CG2 VAL A 7 -4.151 3.684 -5.163 1.00 1.26 C ATOM 0 H VAL A 7 -4.971 4.856 -8.121 1.00 0.58 H new ATOM 0 HA VAL A 7 -3.304 6.153 -6.047 1.00 0.57 H new ATOM 0 HB VAL A 7 -3.200 3.285 -7.030 1.00 0.64 H new ATOM 0 HG11 VAL A 7 -1.534 2.980 -5.240 1.00 1.20 H new ATOM 0 HG12 VAL A 7 -0.993 4.161 -6.456 1.00 1.20 H new ATOM 0 HG13 VAL A 7 -1.607 4.722 -4.883 1.00 1.20 H new ATOM 0 HG21 VAL A 7 -3.929 2.701 -4.747 1.00 1.26 H new ATOM 0 HG22 VAL A 7 -4.112 4.431 -4.370 1.00 1.26 H new ATOM 0 HG23 VAL A 7 -5.148 3.674 -5.604 1.00 1.26 H new ATOM 114 N GLY A 8 -1.659 6.752 -7.851 1.00 0.77 N ATOM 115 CA GLY A 8 -0.780 7.151 -8.931 1.00 0.96 C ATOM 116 C GLY A 8 0.651 6.699 -8.734 1.00 0.75 C ATOM 117 O GLY A 8 1.148 6.662 -7.608 1.00 0.86 O ATOM 0 H GLY A 8 -1.619 7.345 -7.022 1.00 0.77 H new ATOM 0 HA2 GLY A 8 -1.158 6.742 -9.868 1.00 0.96 H new ATOM 0 HA3 GLY A 8 -0.801 8.237 -9.026 1.00 0.96 H new ATOM 121 N ASP A 9 1.304 6.348 -9.838 1.00 0.57 N ATOM 122 CA ASP A 9 2.718 5.973 -9.829 1.00 0.45 C ATOM 123 C ASP A 9 3.569 7.142 -9.358 1.00 0.50 C ATOM 124 O ASP A 9 3.249 8.299 -9.639 1.00 0.73 O ATOM 125 CB ASP A 9 3.190 5.568 -11.228 1.00 0.56 C ATOM 126 CG ASP A 9 2.413 4.411 -11.823 1.00 1.37 C ATOM 127 OD1 ASP A 9 2.785 3.248 -11.579 1.00 2.18 O ATOM 128 OD2 ASP A 9 1.442 4.661 -12.563 1.00 1.77 O ATOM 0 H ASP A 9 0.872 6.315 -10.761 1.00 0.57 H new ATOM 0 HA ASP A 9 2.828 5.127 -9.150 1.00 0.45 H new ATOM 0 HB2 ASP A 9 3.109 6.428 -11.892 1.00 0.56 H new ATOM 0 HB3 ASP A 9 4.245 5.300 -11.182 1.00 0.56 H new ATOM 133 N LEU A 10 4.660 6.849 -8.669 1.00 0.52 N ATOM 134 CA LEU A 10 5.539 7.897 -8.174 1.00 0.65 C ATOM 135 C LEU A 10 6.948 7.365 -7.954 1.00 0.49 C ATOM 136 O LEU A 10 7.146 6.357 -7.270 1.00 0.57 O ATOM 137 CB LEU A 10 5.002 8.509 -6.867 1.00 0.95 C ATOM 138 CG LEU A 10 4.981 7.580 -5.646 1.00 0.76 C ATOM 139 CD1 LEU A 10 4.917 8.392 -4.364 1.00 1.05 C ATOM 140 CD2 LEU A 10 3.803 6.620 -5.708 1.00 1.41 C ATOM 0 H LEU A 10 4.957 5.900 -8.441 1.00 0.52 H new ATOM 0 HA LEU A 10 5.571 8.679 -8.933 1.00 0.65 H new ATOM 0 HB2 LEU A 10 5.607 9.383 -6.623 1.00 0.95 H new ATOM 0 HB3 LEU A 10 3.987 8.864 -7.046 1.00 0.95 H new ATOM 0 HG LEU A 10 5.902 6.997 -5.655 1.00 0.76 H new ATOM 0 HD11 LEU A 10 4.903 7.719 -3.507 1.00 1.05 H new ATOM 0 HD12 LEU A 10 5.790 9.041 -4.301 1.00 1.05 H new ATOM 0 HD13 LEU A 10 4.012 9.000 -4.363 1.00 1.05 H new ATOM 0 HD21 LEU A 10 3.814 5.974 -4.830 1.00 1.41 H new ATOM 0 HD22 LEU A 10 2.872 7.187 -5.730 1.00 1.41 H new ATOM 0 HD23 LEU A 10 3.878 6.010 -6.608 1.00 1.41 H new ATOM 152 N THR A 11 7.922 8.035 -8.546 1.00 0.49 N ATOM 153 CA THR A 11 9.313 7.698 -8.320 1.00 0.47 C ATOM 154 C THR A 11 9.977 8.781 -7.480 1.00 0.53 C ATOM 155 O THR A 11 10.103 9.928 -7.908 1.00 0.66 O ATOM 156 CB THR A 11 10.071 7.517 -9.650 1.00 0.63 C ATOM 157 OG1 THR A 11 9.363 6.591 -10.488 1.00 1.03 O ATOM 158 CG2 THR A 11 11.481 7.003 -9.405 1.00 0.99 C ATOM 0 H THR A 11 7.773 8.815 -9.186 1.00 0.49 H new ATOM 0 HA THR A 11 9.350 6.750 -7.784 1.00 0.47 H new ATOM 0 HB THR A 11 10.136 8.487 -10.143 1.00 0.63 H new ATOM 0 HG1 THR A 11 9.846 6.479 -11.333 1.00 1.03 H new ATOM 0 HG21 THR A 11 11.995 6.883 -10.358 1.00 0.99 H new ATOM 0 HG22 THR A 11 12.026 7.716 -8.786 1.00 0.99 H new ATOM 0 HG23 THR A 11 11.434 6.041 -8.895 1.00 0.99 H new ATOM 166 N VAL A 12 10.380 8.404 -6.273 1.00 0.52 N ATOM 167 CA VAL A 12 10.957 9.341 -5.313 1.00 0.63 C ATOM 168 C VAL A 12 12.054 8.637 -4.516 1.00 0.48 C ATOM 169 O VAL A 12 11.934 7.442 -4.224 1.00 0.57 O ATOM 170 CB VAL A 12 9.883 9.880 -4.330 1.00 0.82 C ATOM 171 CG1 VAL A 12 10.481 10.882 -3.355 1.00 1.45 C ATOM 172 CG2 VAL A 12 8.713 10.511 -5.071 1.00 1.45 C ATOM 0 H VAL A 12 10.317 7.445 -5.932 1.00 0.52 H new ATOM 0 HA VAL A 12 11.369 10.184 -5.868 1.00 0.63 H new ATOM 0 HB VAL A 12 9.511 9.025 -3.766 1.00 0.82 H new ATOM 0 HG11 VAL A 12 9.704 11.241 -2.680 1.00 1.45 H new ATOM 0 HG12 VAL A 12 11.270 10.401 -2.777 1.00 1.45 H new ATOM 0 HG13 VAL A 12 10.898 11.723 -3.908 1.00 1.45 H new ATOM 0 HG21 VAL A 12 7.981 10.877 -4.351 1.00 1.45 H new ATOM 0 HG22 VAL A 12 9.072 11.342 -5.678 1.00 1.45 H new ATOM 0 HG23 VAL A 12 8.246 9.766 -5.716 1.00 1.45 H new ATOM 182 N ALA A 13 13.096 9.370 -4.148 1.00 0.44 N ATOM 183 CA ALA A 13 14.244 8.782 -3.474 1.00 0.43 C ATOM 184 C ALA A 13 14.128 8.852 -1.949 1.00 0.45 C ATOM 185 O ALA A 13 13.940 9.928 -1.383 1.00 0.57 O ATOM 186 CB ALA A 13 15.519 9.474 -3.924 1.00 0.59 C ATOM 0 H ALA A 13 13.169 10.375 -4.306 1.00 0.44 H new ATOM 0 HA ALA A 13 14.273 7.728 -3.750 1.00 0.43 H new ATOM 0 HB1 ALA A 13 16.374 9.028 -3.415 1.00 0.59 H new ATOM 0 HB2 ALA A 13 15.636 9.356 -5.001 1.00 0.59 H new ATOM 0 HB3 ALA A 13 15.463 10.535 -3.679 1.00 0.59 H new ATOM 192 N LYS A 14 14.238 7.694 -1.290 1.00 0.43 N ATOM 193 CA LYS A 14 14.306 7.640 0.173 1.00 0.50 C ATOM 194 C LYS A 14 15.178 6.468 0.613 1.00 0.41 C ATOM 195 O LYS A 14 15.533 5.609 -0.191 1.00 0.41 O ATOM 196 CB LYS A 14 12.932 7.475 0.857 1.00 0.67 C ATOM 197 CG LYS A 14 11.757 8.129 0.155 1.00 1.47 C ATOM 198 CD LYS A 14 11.181 7.221 -0.910 1.00 2.23 C ATOM 199 CE LYS A 14 10.038 7.887 -1.634 1.00 2.52 C ATOM 200 NZ LYS A 14 9.564 7.071 -2.784 1.00 3.42 N ATOM 0 H LYS A 14 14.282 6.783 -1.746 1.00 0.43 H new ATOM 0 HA LYS A 14 14.724 8.599 0.478 1.00 0.50 H new ATOM 0 HB2 LYS A 14 12.723 6.410 0.956 1.00 0.67 H new ATOM 0 HB3 LYS A 14 12.999 7.882 1.866 1.00 0.67 H new ATOM 0 HG2 LYS A 14 10.985 8.374 0.884 1.00 1.47 H new ATOM 0 HG3 LYS A 14 12.077 9.067 -0.298 1.00 1.47 H new ATOM 0 HD2 LYS A 14 11.960 6.953 -1.624 1.00 2.23 H new ATOM 0 HD3 LYS A 14 10.835 6.294 -0.453 1.00 2.23 H new ATOM 0 HE2 LYS A 14 9.214 8.051 -0.940 1.00 2.52 H new ATOM 0 HE3 LYS A 14 10.355 8.867 -1.990 1.00 2.52 H new ATOM 0 HZ1 LYS A 14 8.660 7.451 -3.130 1.00 3.42 H new ATOM 0 HZ2 LYS A 14 10.269 7.105 -3.548 1.00 3.42 H new ATOM 0 HZ3 LYS A 14 9.431 6.086 -2.479 1.00 3.42 H new ATOM 214 N THR A 15 15.516 6.445 1.893 1.00 0.46 N ATOM 215 CA THR A 15 16.142 5.285 2.507 1.00 0.44 C ATOM 216 C THR A 15 15.160 4.684 3.508 1.00 0.44 C ATOM 217 O THR A 15 14.228 5.364 3.922 1.00 0.50 O ATOM 218 CB THR A 15 17.440 5.672 3.246 1.00 0.49 C ATOM 219 OG1 THR A 15 17.134 6.560 4.326 1.00 0.63 O ATOM 220 CG2 THR A 15 18.431 6.342 2.303 1.00 0.52 C ATOM 0 H THR A 15 15.365 7.225 2.532 1.00 0.46 H new ATOM 0 HA THR A 15 16.397 4.568 1.726 1.00 0.44 H new ATOM 0 HB THR A 15 17.895 4.760 3.633 1.00 0.49 H new ATOM 0 HG1 THR A 15 17.960 6.802 4.794 1.00 0.63 H new ATOM 0 HG21 THR A 15 19.336 6.603 2.852 1.00 0.52 H new ATOM 0 HG22 THR A 15 18.683 5.657 1.493 1.00 0.52 H new ATOM 0 HG23 THR A 15 17.985 7.246 1.888 1.00 0.52 H new ATOM 228 N ARG A 16 15.350 3.433 3.920 1.00 0.40 N ATOM 229 CA ARG A 16 14.473 2.870 4.955 1.00 0.43 C ATOM 230 C ARG A 16 14.854 3.421 6.327 1.00 0.46 C ATOM 231 O ARG A 16 14.272 3.039 7.340 1.00 0.55 O ATOM 232 CB ARG A 16 14.488 1.339 4.999 1.00 0.50 C ATOM 233 CG ARG A 16 14.149 0.659 3.684 1.00 0.57 C ATOM 234 CD ARG A 16 15.389 0.278 2.891 1.00 0.68 C ATOM 235 NE ARG A 16 15.100 -0.828 1.989 1.00 1.22 N ATOM 236 CZ ARG A 16 15.350 -2.110 2.283 1.00 2.43 C ATOM 237 NH1 ARG A 16 16.103 -2.436 3.327 1.00 3.01 N ATOM 238 NH2 ARG A 16 14.882 -3.071 1.512 1.00 3.14 N ATOM 0 H ARG A 16 16.075 2.805 3.571 1.00 0.40 H new ATOM 0 HA ARG A 16 13.459 3.172 4.691 1.00 0.43 H new ATOM 0 HB2 ARG A 16 15.477 1.009 5.318 1.00 0.50 H new ATOM 0 HB3 ARG A 16 13.780 1.005 5.757 1.00 0.50 H new ATOM 0 HG2 ARG A 16 13.559 -0.236 3.883 1.00 0.57 H new ATOM 0 HG3 ARG A 16 13.528 1.324 3.084 1.00 0.57 H new ATOM 0 HD2 ARG A 16 15.741 1.137 2.320 1.00 0.68 H new ATOM 0 HD3 ARG A 16 16.192 -0.002 3.573 1.00 0.68 H new ATOM 0 HE ARG A 16 14.684 -0.614 1.083 1.00 1.22 H new ATOM 0 HH11 ARG A 16 16.500 -1.705 3.918 1.00 3.01 H new ATOM 0 HH12 ARG A 16 16.285 -3.417 3.538 1.00 3.01 H new ATOM 0 HH21 ARG A 16 14.327 -2.839 0.688 1.00 3.14 H new ATOM 0 HH22 ARG A 16 15.075 -4.047 1.739 1.00 3.14 H new ATOM 252 N GLY A 17 15.865 4.282 6.347 1.00 0.47 N ATOM 253 CA GLY A 17 16.224 4.993 7.560 1.00 0.58 C ATOM 254 C GLY A 17 15.449 6.286 7.657 1.00 0.61 C ATOM 255 O GLY A 17 15.202 6.806 8.748 1.00 0.75 O ATOM 0 H GLY A 17 16.446 4.501 5.538 1.00 0.47 H new ATOM 0 HA2 GLY A 17 16.016 4.370 8.430 1.00 0.58 H new ATOM 0 HA3 GLY A 17 17.294 5.201 7.565 1.00 0.58 H new ATOM 259 N GLN A 18 15.073 6.801 6.487 1.00 0.58 N ATOM 260 CA GLN A 18 14.141 7.916 6.383 1.00 0.70 C ATOM 261 C GLN A 18 12.803 7.481 6.964 1.00 0.64 C ATOM 262 O GLN A 18 12.032 8.281 7.497 1.00 0.72 O ATOM 263 CB GLN A 18 14.009 8.324 4.908 1.00 0.86 C ATOM 264 CG GLN A 18 13.000 9.425 4.635 1.00 1.02 C ATOM 265 CD GLN A 18 13.238 10.101 3.299 1.00 1.49 C ATOM 266 OE1 GLN A 18 14.369 10.170 2.814 1.00 2.00 O ATOM 267 NE2 GLN A 18 12.179 10.617 2.697 1.00 2.17 N ATOM 0 H GLN A 18 15.407 6.455 5.587 1.00 0.58 H new ATOM 0 HA GLN A 18 14.499 8.781 6.941 1.00 0.70 H new ATOM 0 HB2 GLN A 18 14.985 8.649 4.548 1.00 0.86 H new ATOM 0 HB3 GLN A 18 13.731 7.445 4.327 1.00 0.86 H new ATOM 0 HG2 GLN A 18 11.994 9.006 4.654 1.00 1.02 H new ATOM 0 HG3 GLN A 18 13.051 10.168 5.431 1.00 1.02 H new ATOM 0 HE21 GLN A 18 11.258 10.540 3.130 1.00 2.17 H new ATOM 0 HE22 GLN A 18 12.283 11.092 1.800 1.00 2.17 H new ATOM 276 N LEU A 19 12.552 6.190 6.848 1.00 0.60 N ATOM 277 CA LEU A 19 11.427 5.548 7.488 1.00 0.62 C ATOM 278 C LEU A 19 11.710 5.387 8.980 1.00 0.78 C ATOM 279 O LEU A 19 12.750 4.860 9.368 1.00 1.61 O ATOM 280 CB LEU A 19 11.193 4.174 6.860 1.00 0.62 C ATOM 281 CG LEU A 19 10.580 4.147 5.454 1.00 0.52 C ATOM 282 CD1 LEU A 19 9.111 4.527 5.507 1.00 0.92 C ATOM 283 CD2 LEU A 19 11.317 5.060 4.491 1.00 0.89 C ATOM 0 H LEU A 19 13.132 5.554 6.300 1.00 0.60 H new ATOM 0 HA LEU A 19 10.537 6.162 7.353 1.00 0.62 H new ATOM 0 HB2 LEU A 19 12.149 3.651 6.823 1.00 0.62 H new ATOM 0 HB3 LEU A 19 10.543 3.604 7.524 1.00 0.62 H new ATOM 0 HG LEU A 19 10.677 3.127 5.082 1.00 0.52 H new ATOM 0 HD11 LEU A 19 8.692 4.503 4.501 1.00 0.92 H new ATOM 0 HD12 LEU A 19 8.575 3.820 6.140 1.00 0.92 H new ATOM 0 HD13 LEU A 19 9.010 5.531 5.918 1.00 0.92 H new ATOM 0 HD21 LEU A 19 10.847 5.008 3.509 1.00 0.89 H new ATOM 0 HD22 LEU A 19 11.277 6.085 4.859 1.00 0.89 H new ATOM 0 HD23 LEU A 19 12.357 4.743 4.413 1.00 0.89 H new ATOM 295 N THR A 20 10.778 5.820 9.802 1.00 0.68 N ATOM 296 CA THR A 20 10.951 5.785 11.243 1.00 0.69 C ATOM 297 C THR A 20 9.738 5.085 11.854 1.00 0.66 C ATOM 298 O THR A 20 9.196 5.484 12.889 1.00 0.73 O ATOM 299 CB THR A 20 11.147 7.220 11.802 1.00 0.80 C ATOM 300 OG1 THR A 20 11.551 7.177 13.174 1.00 1.51 O ATOM 301 CG2 THR A 20 9.886 8.065 11.655 1.00 1.65 C ATOM 0 H THR A 20 9.884 6.204 9.496 1.00 0.68 H new ATOM 0 HA THR A 20 11.848 5.226 11.508 1.00 0.69 H new ATOM 0 HB THR A 20 11.934 7.690 11.212 1.00 0.80 H new ATOM 0 HG1 THR A 20 10.906 6.648 13.688 1.00 1.51 H new ATOM 0 HG21 THR A 20 10.067 9.061 12.059 1.00 1.65 H new ATOM 0 HG22 THR A 20 9.621 8.143 10.601 1.00 1.65 H new ATOM 0 HG23 THR A 20 9.068 7.595 12.201 1.00 1.65 H new ATOM 309 N ASP A 21 9.349 4.005 11.176 1.00 0.61 N ATOM 310 CA ASP A 21 8.119 3.258 11.447 1.00 0.61 C ATOM 311 C ASP A 21 6.925 4.034 10.920 1.00 0.58 C ATOM 312 O ASP A 21 6.325 3.658 9.913 1.00 0.73 O ATOM 313 CB ASP A 21 7.939 2.924 12.928 1.00 0.69 C ATOM 314 CG ASP A 21 6.798 1.957 13.146 1.00 1.18 C ATOM 315 OD1 ASP A 21 6.922 0.787 12.732 1.00 1.38 O ATOM 316 OD2 ASP A 21 5.775 2.360 13.736 1.00 1.83 O ATOM 0 H ASP A 21 9.892 3.616 10.405 1.00 0.61 H new ATOM 0 HA ASP A 21 8.195 2.303 10.927 1.00 0.61 H new ATOM 0 HB2 ASP A 21 8.861 2.494 13.319 1.00 0.69 H new ATOM 0 HB3 ASP A 21 7.752 3.840 13.488 1.00 0.69 H new ATOM 321 N ALA A 22 6.616 5.144 11.561 1.00 0.65 N ATOM 322 CA ALA A 22 5.557 6.011 11.091 1.00 0.68 C ATOM 323 C ALA A 22 6.152 7.176 10.311 1.00 0.62 C ATOM 324 O ALA A 22 6.425 8.237 10.871 1.00 0.72 O ATOM 325 CB ALA A 22 4.710 6.518 12.252 1.00 0.82 C ATOM 0 H ALA A 22 7.084 5.466 12.408 1.00 0.65 H new ATOM 0 HA ALA A 22 4.906 5.438 10.431 1.00 0.68 H new ATOM 0 HB1 ALA A 22 3.922 7.167 11.871 1.00 0.82 H new ATOM 0 HB2 ALA A 22 4.263 5.671 12.773 1.00 0.82 H new ATOM 0 HB3 ALA A 22 5.339 7.079 12.944 1.00 0.82 H new ATOM 331 N ALA A 23 6.402 6.955 9.028 1.00 0.59 N ATOM 332 CA ALA A 23 6.978 7.985 8.175 1.00 0.59 C ATOM 333 C ALA A 23 6.374 7.935 6.779 1.00 0.64 C ATOM 334 O ALA A 23 6.804 7.147 5.940 1.00 0.79 O ATOM 335 CB ALA A 23 8.491 7.836 8.103 1.00 0.71 C ATOM 0 H ALA A 23 6.215 6.071 8.555 1.00 0.59 H new ATOM 0 HA ALA A 23 6.745 8.955 8.613 1.00 0.59 H new ATOM 0 HB1 ALA A 23 8.903 8.615 7.461 1.00 0.71 H new ATOM 0 HB2 ALA A 23 8.914 7.929 9.103 1.00 0.71 H new ATOM 0 HB3 ALA A 23 8.741 6.858 7.693 1.00 0.71 H new ATOM 341 N PRO A 24 5.337 8.749 6.539 1.00 0.62 N ATOM 342 CA PRO A 24 4.693 8.860 5.232 1.00 0.72 C ATOM 343 C PRO A 24 5.608 9.515 4.207 1.00 0.78 C ATOM 344 O PRO A 24 5.587 10.730 4.008 1.00 1.12 O ATOM 345 CB PRO A 24 3.460 9.728 5.494 1.00 0.79 C ATOM 346 CG PRO A 24 3.770 10.475 6.745 1.00 0.75 C ATOM 347 CD PRO A 24 4.696 9.601 7.544 1.00 0.63 C ATOM 0 HA PRO A 24 4.443 7.884 4.817 1.00 0.72 H new ATOM 0 HB2 PRO A 24 3.274 10.409 4.664 1.00 0.79 H new ATOM 0 HB3 PRO A 24 2.565 9.117 5.611 1.00 0.79 H new ATOM 0 HG2 PRO A 24 4.239 11.433 6.519 1.00 0.75 H new ATOM 0 HG3 PRO A 24 2.860 10.690 7.305 1.00 0.75 H new ATOM 0 HD2 PRO A 24 5.429 10.193 8.092 1.00 0.63 H new ATOM 0 HD3 PRO A 24 4.151 9.009 8.279 1.00 0.63 H new ATOM 355 N ILE A 25 6.429 8.688 3.593 1.00 0.58 N ATOM 356 CA ILE A 25 7.386 9.133 2.592 1.00 0.64 C ATOM 357 C ILE A 25 6.738 9.254 1.219 1.00 0.59 C ATOM 358 O ILE A 25 7.295 9.862 0.307 1.00 0.95 O ATOM 359 CB ILE A 25 8.547 8.138 2.492 1.00 0.92 C ATOM 360 CG1 ILE A 25 7.973 6.725 2.432 1.00 1.73 C ATOM 361 CG2 ILE A 25 9.499 8.299 3.669 1.00 1.37 C ATOM 362 CD1 ILE A 25 8.978 5.661 2.048 1.00 2.58 C ATOM 0 H ILE A 25 6.454 7.684 3.772 1.00 0.58 H new ATOM 0 HA ILE A 25 7.750 10.112 2.903 1.00 0.64 H new ATOM 0 HB ILE A 25 9.123 8.331 1.587 1.00 0.92 H new ATOM 0 HG12 ILE A 25 7.551 6.475 3.405 1.00 1.73 H new ATOM 0 HG13 ILE A 25 7.152 6.709 1.715 1.00 1.73 H new ATOM 0 HG21 ILE A 25 10.315 7.583 3.577 1.00 1.37 H new ATOM 0 HG22 ILE A 25 9.903 9.311 3.674 1.00 1.37 H new ATOM 0 HG23 ILE A 25 8.961 8.119 4.600 1.00 1.37 H new ATOM 0 HD11 ILE A 25 8.488 4.688 2.029 1.00 2.58 H new ATOM 0 HD12 ILE A 25 9.383 5.883 1.061 1.00 2.58 H new ATOM 0 HD13 ILE A 25 9.788 5.645 2.777 1.00 2.58 H new ATOM 374 N GLY A 26 5.575 8.638 1.065 1.00 0.62 N ATOM 375 CA GLY A 26 4.867 8.708 -0.195 1.00 0.74 C ATOM 376 C GLY A 26 3.361 8.760 -0.021 1.00 0.56 C ATOM 377 O GLY A 26 2.675 7.784 -0.316 1.00 0.65 O ATOM 0 H GLY A 26 5.110 8.092 1.790 1.00 0.62 H new ATOM 0 HA2 GLY A 26 5.196 9.591 -0.743 1.00 0.74 H new ATOM 0 HA3 GLY A 26 5.128 7.841 -0.802 1.00 0.74 H new ATOM 381 N PRO A 27 2.819 9.874 0.496 1.00 0.48 N ATOM 382 CA PRO A 27 1.373 10.080 0.585 1.00 0.44 C ATOM 383 C PRO A 27 0.751 10.317 -0.789 1.00 0.48 C ATOM 384 O PRO A 27 0.945 11.369 -1.400 1.00 0.61 O ATOM 385 CB PRO A 27 1.220 11.331 1.466 1.00 0.51 C ATOM 386 CG PRO A 27 2.579 11.609 2.018 1.00 0.66 C ATOM 387 CD PRO A 27 3.560 11.011 1.050 1.00 0.67 C ATOM 0 HA PRO A 27 0.865 9.207 0.994 1.00 0.44 H new ATOM 0 HB2 PRO A 27 0.854 12.177 0.884 1.00 0.51 H new ATOM 0 HB3 PRO A 27 0.500 11.160 2.267 1.00 0.51 H new ATOM 0 HG2 PRO A 27 2.743 12.681 2.125 1.00 0.66 H new ATOM 0 HG3 PRO A 27 2.693 11.169 3.009 1.00 0.66 H new ATOM 0 HD2 PRO A 27 3.848 11.722 0.276 1.00 0.67 H new ATOM 0 HD3 PRO A 27 4.476 10.693 1.548 1.00 0.67 H new ATOM 395 N VAL A 28 0.015 9.329 -1.271 1.00 0.45 N ATOM 396 CA VAL A 28 -0.622 9.412 -2.574 1.00 0.54 C ATOM 397 C VAL A 28 -1.959 10.137 -2.464 1.00 0.57 C ATOM 398 O VAL A 28 -2.681 9.972 -1.478 1.00 0.58 O ATOM 399 CB VAL A 28 -0.848 8.004 -3.171 1.00 0.65 C ATOM 400 CG1 VAL A 28 -1.441 8.088 -4.573 1.00 1.18 C ATOM 401 CG2 VAL A 28 0.455 7.215 -3.189 1.00 1.07 C ATOM 0 H VAL A 28 -0.157 8.454 -0.775 1.00 0.45 H new ATOM 0 HA VAL A 28 0.041 9.970 -3.235 1.00 0.54 H new ATOM 0 HB VAL A 28 -1.563 7.481 -2.535 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -1.589 7.082 -4.967 1.00 1.18 H new ATOM 0 HG12 VAL A 28 -2.399 8.606 -4.532 1.00 1.18 H new ATOM 0 HG13 VAL A 28 -0.760 8.636 -5.224 1.00 1.18 H new ATOM 0 HG21 VAL A 28 0.276 6.227 -3.613 1.00 1.07 H new ATOM 0 HG22 VAL A 28 1.191 7.742 -3.796 1.00 1.07 H new ATOM 0 HG23 VAL A 28 0.831 7.111 -2.171 1.00 1.07 H new ATOM 411 N THR A 29 -2.271 10.954 -3.465 1.00 0.61 N ATOM 412 CA THR A 29 -3.547 11.651 -3.523 1.00 0.67 C ATOM 413 C THR A 29 -4.672 10.672 -3.823 1.00 0.65 C ATOM 414 O THR A 29 -4.900 10.304 -4.978 1.00 0.75 O ATOM 415 CB THR A 29 -3.521 12.763 -4.590 1.00 0.79 C ATOM 416 OG1 THR A 29 -2.985 12.245 -5.817 1.00 1.64 O ATOM 417 CG2 THR A 29 -2.683 13.943 -4.122 1.00 1.37 C ATOM 0 H THR A 29 -1.651 11.149 -4.251 1.00 0.61 H new ATOM 0 HA THR A 29 -3.724 12.110 -2.550 1.00 0.67 H new ATOM 0 HB THR A 29 -4.542 13.108 -4.753 1.00 0.79 H new ATOM 0 HG1 THR A 29 -3.434 11.403 -6.041 1.00 1.64 H new ATOM 0 HG21 THR A 29 -2.680 14.715 -4.892 1.00 1.37 H new ATOM 0 HG22 THR A 29 -3.107 14.349 -3.203 1.00 1.37 H new ATOM 0 HG23 THR A 29 -1.661 13.612 -3.935 1.00 1.37 H new ATOM 425 N VAL A 30 -5.354 10.237 -2.775 1.00 0.62 N ATOM 426 CA VAL A 30 -6.378 9.218 -2.900 1.00 0.61 C ATOM 427 C VAL A 30 -7.706 9.817 -3.317 1.00 0.62 C ATOM 428 O VAL A 30 -8.085 10.915 -2.903 1.00 0.87 O ATOM 429 CB VAL A 30 -6.575 8.423 -1.600 1.00 0.77 C ATOM 430 CG1 VAL A 30 -7.397 7.164 -1.855 1.00 0.76 C ATOM 431 CG2 VAL A 30 -5.240 8.067 -0.992 1.00 1.01 C ATOM 0 H VAL A 30 -5.214 10.578 -1.824 1.00 0.62 H new ATOM 0 HA VAL A 30 -6.027 8.535 -3.673 1.00 0.61 H new ATOM 0 HB VAL A 30 -7.121 9.050 -0.896 1.00 0.77 H new ATOM 0 HG11 VAL A 30 -7.524 6.617 -0.921 1.00 0.76 H new ATOM 0 HG12 VAL A 30 -8.375 7.441 -2.249 1.00 0.76 H new ATOM 0 HG13 VAL A 30 -6.881 6.533 -2.578 1.00 0.76 H new ATOM 0 HG21 VAL A 30 -5.398 7.504 -0.072 1.00 1.01 H new ATOM 0 HG22 VAL A 30 -4.670 7.460 -1.695 1.00 1.01 H new ATOM 0 HG23 VAL A 30 -4.687 8.979 -0.769 1.00 1.01 H new ATOM 441 N GLN A 31 -8.389 9.077 -4.152 1.00 0.49 N ATOM 442 CA GLN A 31 -9.672 9.475 -4.694 1.00 0.52 C ATOM 443 C GLN A 31 -10.481 8.211 -4.940 1.00 0.49 C ATOM 444 O GLN A 31 -10.103 7.378 -5.761 1.00 0.54 O ATOM 445 CB GLN A 31 -9.452 10.263 -5.995 1.00 0.62 C ATOM 446 CG GLN A 31 -10.644 11.079 -6.485 1.00 1.15 C ATOM 447 CD GLN A 31 -11.766 10.237 -7.063 1.00 1.59 C ATOM 448 OE1 GLN A 31 -11.751 9.890 -8.242 1.00 2.48 O ATOM 449 NE2 GLN A 31 -12.765 9.938 -6.251 1.00 1.86 N ATOM 0 H GLN A 31 -8.069 8.167 -4.482 1.00 0.49 H new ATOM 0 HA GLN A 31 -10.213 10.121 -4.003 1.00 0.52 H new ATOM 0 HB2 GLN A 31 -8.608 10.938 -5.851 1.00 0.62 H new ATOM 0 HB3 GLN A 31 -9.169 9.561 -6.779 1.00 0.62 H new ATOM 0 HG2 GLN A 31 -11.035 11.668 -5.655 1.00 1.15 H new ATOM 0 HG3 GLN A 31 -10.303 11.783 -7.244 1.00 1.15 H new ATOM 0 HE21 GLN A 31 -12.741 10.244 -5.278 1.00 1.86 H new ATOM 0 HE22 GLN A 31 -13.560 9.401 -6.597 1.00 1.86 H new ATOM 458 N ALA A 32 -11.567 8.051 -4.201 1.00 0.53 N ATOM 459 CA ALA A 32 -12.366 6.840 -4.282 1.00 0.54 C ATOM 460 C ALA A 32 -13.758 7.143 -4.811 1.00 0.56 C ATOM 461 O ALA A 32 -14.595 7.700 -4.100 1.00 0.70 O ATOM 462 CB ALA A 32 -12.446 6.163 -2.921 1.00 0.61 C ATOM 0 H ALA A 32 -11.915 8.744 -3.539 1.00 0.53 H new ATOM 0 HA ALA A 32 -11.880 6.158 -4.980 1.00 0.54 H new ATOM 0 HB1 ALA A 32 -13.048 5.258 -3.000 1.00 0.61 H new ATOM 0 HB2 ALA A 32 -11.442 5.903 -2.584 1.00 0.61 H new ATOM 0 HB3 ALA A 32 -12.905 6.843 -2.203 1.00 0.61 H new ATOM 468 N LEU A 33 -13.987 6.794 -6.066 1.00 0.54 N ATOM 469 CA LEU A 33 -15.283 6.988 -6.690 1.00 0.64 C ATOM 470 C LEU A 33 -16.219 5.852 -6.307 1.00 0.75 C ATOM 471 O LEU A 33 -15.931 4.689 -6.575 1.00 0.84 O ATOM 472 CB LEU A 33 -15.143 7.047 -8.212 1.00 0.74 C ATOM 473 CG LEU A 33 -16.447 7.287 -8.977 1.00 1.28 C ATOM 474 CD1 LEU A 33 -16.969 8.691 -8.718 1.00 1.90 C ATOM 475 CD2 LEU A 33 -16.244 7.054 -10.465 1.00 1.94 C ATOM 0 H LEU A 33 -13.286 6.372 -6.675 1.00 0.54 H new ATOM 0 HA LEU A 33 -15.697 7.933 -6.338 1.00 0.64 H new ATOM 0 HB2 LEU A 33 -14.440 7.840 -8.466 1.00 0.74 H new ATOM 0 HB3 LEU A 33 -14.705 6.111 -8.557 1.00 0.74 H new ATOM 0 HG LEU A 33 -17.191 6.576 -8.619 1.00 1.28 H new ATOM 0 HD11 LEU A 33 -17.896 8.842 -9.271 1.00 1.90 H new ATOM 0 HD12 LEU A 33 -17.157 8.818 -7.652 1.00 1.90 H new ATOM 0 HD13 LEU A 33 -16.229 9.421 -9.046 1.00 1.90 H new ATOM 0 HD21 LEU A 33 -17.182 7.229 -10.992 1.00 1.94 H new ATOM 0 HD22 LEU A 33 -15.483 7.739 -10.840 1.00 1.94 H new ATOM 0 HD23 LEU A 33 -15.921 6.026 -10.632 1.00 1.94 H new ATOM 487 N GLY A 34 -17.327 6.191 -5.669 1.00 0.85 N ATOM 488 CA GLY A 34 -18.290 5.185 -5.281 1.00 1.06 C ATOM 489 C GLY A 34 -18.020 4.651 -3.894 1.00 0.98 C ATOM 490 O GLY A 34 -17.585 5.399 -3.015 1.00 1.81 O ATOM 0 H GLY A 34 -17.577 7.146 -5.413 1.00 0.85 H new ATOM 0 HA2 GLY A 34 -19.293 5.610 -5.317 1.00 1.06 H new ATOM 0 HA3 GLY A 34 -18.265 4.364 -5.997 1.00 1.06 H new ATOM 494 N CYS A 35 -18.274 3.360 -3.699 1.00 0.96 N ATOM 495 CA CYS A 35 -18.066 2.712 -2.405 1.00 0.86 C ATOM 496 C CYS A 35 -18.909 3.358 -1.316 1.00 0.96 C ATOM 497 O CYS A 35 -18.519 3.361 -0.151 1.00 1.88 O ATOM 498 CB CYS A 35 -16.589 2.757 -2.007 1.00 0.84 C ATOM 499 SG CYS A 35 -15.590 1.378 -2.649 1.00 1.18 S ATOM 0 H CYS A 35 -18.627 2.737 -4.426 1.00 0.96 H new ATOM 0 HA CYS A 35 -18.377 1.673 -2.510 1.00 0.86 H new ATOM 0 HB2 CYS A 35 -16.160 3.695 -2.360 1.00 0.84 H new ATOM 0 HB3 CYS A 35 -16.519 2.764 -0.919 1.00 0.84 H new ATOM 504 N ASN A 36 -20.086 3.851 -1.697 1.00 0.79 N ATOM 505 CA ASN A 36 -20.974 4.566 -0.776 1.00 0.72 C ATOM 506 C ASN A 36 -21.285 3.710 0.451 1.00 0.69 C ATOM 507 O ASN A 36 -21.500 4.225 1.547 1.00 0.80 O ATOM 508 CB ASN A 36 -22.264 4.964 -1.502 1.00 0.76 C ATOM 509 CG ASN A 36 -23.174 5.842 -0.664 1.00 1.29 C ATOM 510 OD1 ASN A 36 -23.019 7.062 -0.632 1.00 1.75 O ATOM 511 ND2 ASN A 36 -24.157 5.236 -0.018 1.00 2.14 N ATOM 0 H ASN A 36 -20.451 3.768 -2.646 1.00 0.79 H new ATOM 0 HA ASN A 36 -20.470 5.470 -0.433 1.00 0.72 H new ATOM 0 HB2 ASN A 36 -22.008 5.490 -2.422 1.00 0.76 H new ATOM 0 HB3 ASN A 36 -22.804 4.062 -1.790 1.00 0.76 H new ATOM 0 HD21 ASN A 36 -24.820 5.783 0.531 1.00 2.14 H new ATOM 0 HD22 ASN A 36 -24.252 4.222 -0.069 1.00 2.14 H new ATOM 518 N ALA A 37 -21.295 2.399 0.255 1.00 0.65 N ATOM 519 CA ALA A 37 -21.443 1.457 1.352 1.00 0.74 C ATOM 520 C ALA A 37 -20.427 0.327 1.213 1.00 0.70 C ATOM 521 O ALA A 37 -20.785 -0.851 1.195 1.00 0.94 O ATOM 522 CB ALA A 37 -22.858 0.904 1.386 1.00 0.93 C ATOM 0 H ALA A 37 -21.201 1.962 -0.662 1.00 0.65 H new ATOM 0 HA ALA A 37 -21.256 1.978 2.291 1.00 0.74 H new ATOM 0 HB1 ALA A 37 -22.954 0.200 2.213 1.00 0.93 H new ATOM 0 HB2 ALA A 37 -23.565 1.722 1.522 1.00 0.93 H new ATOM 0 HB3 ALA A 37 -23.071 0.393 0.447 1.00 0.93 H new ATOM 528 N ARG A 38 -19.154 0.691 1.106 1.00 0.59 N ATOM 529 CA ARG A 38 -18.101 -0.292 0.894 1.00 0.61 C ATOM 530 C ARG A 38 -16.853 0.048 1.707 1.00 0.50 C ATOM 531 O ARG A 38 -16.567 1.224 1.961 1.00 0.50 O ATOM 532 CB ARG A 38 -17.739 -0.337 -0.587 1.00 0.71 C ATOM 533 CG ARG A 38 -16.915 -1.545 -0.990 1.00 0.98 C ATOM 534 CD ARG A 38 -17.737 -2.819 -0.946 1.00 2.02 C ATOM 535 NE ARG A 38 -18.826 -2.805 -1.926 1.00 2.78 N ATOM 536 CZ ARG A 38 -19.291 -3.896 -2.530 1.00 3.70 C ATOM 537 NH1 ARG A 38 -18.766 -5.082 -2.251 1.00 4.05 N ATOM 538 NH2 ARG A 38 -20.278 -3.796 -3.413 1.00 4.64 N ATOM 0 H ARG A 38 -18.828 1.656 1.162 1.00 0.59 H new ATOM 0 HA ARG A 38 -18.471 -1.263 1.222 1.00 0.61 H new ATOM 0 HB2 ARG A 38 -18.657 -0.325 -1.174 1.00 0.71 H new ATOM 0 HB3 ARG A 38 -17.186 0.567 -0.842 1.00 0.71 H new ATOM 0 HG2 ARG A 38 -16.522 -1.399 -1.996 1.00 0.98 H new ATOM 0 HG3 ARG A 38 -16.058 -1.641 -0.324 1.00 0.98 H new ATOM 0 HD2 ARG A 38 -17.089 -3.675 -1.136 1.00 2.02 H new ATOM 0 HD3 ARG A 38 -18.151 -2.949 0.054 1.00 2.02 H new ATOM 0 HE ARG A 38 -19.252 -1.908 -2.159 1.00 2.78 H new ATOM 0 HH11 ARG A 38 -18.007 -5.157 -1.574 1.00 4.05 H new ATOM 0 HH12 ARG A 38 -19.122 -5.919 -2.713 1.00 4.05 H new ATOM 0 HH21 ARG A 38 -20.679 -2.883 -3.628 1.00 4.64 H new ATOM 0 HH22 ARG A 38 -20.635 -4.632 -3.876 1.00 4.64 H new ATOM 552 N GLN A 39 -16.103 -0.981 2.092 1.00 0.48 N ATOM 553 CA GLN A 39 -14.875 -0.803 2.839 1.00 0.42 C ATOM 554 C GLN A 39 -13.697 -0.744 1.868 1.00 0.42 C ATOM 555 O GLN A 39 -13.174 -1.772 1.444 1.00 0.62 O ATOM 556 CB GLN A 39 -14.706 -1.952 3.837 1.00 0.47 C ATOM 557 CG GLN A 39 -15.975 -2.236 4.633 1.00 0.64 C ATOM 558 CD GLN A 39 -15.839 -3.396 5.599 1.00 0.87 C ATOM 559 OE1 GLN A 39 -14.771 -3.648 6.147 1.00 1.75 O ATOM 560 NE2 GLN A 39 -16.931 -4.121 5.801 1.00 1.40 N ATOM 0 H GLN A 39 -16.333 -1.955 1.893 1.00 0.48 H new ATOM 0 HA GLN A 39 -14.913 0.132 3.398 1.00 0.42 H new ATOM 0 HB2 GLN A 39 -14.411 -2.853 3.300 1.00 0.47 H new ATOM 0 HB3 GLN A 39 -13.896 -1.712 4.526 1.00 0.47 H new ATOM 0 HG2 GLN A 39 -16.252 -1.341 5.190 1.00 0.64 H new ATOM 0 HG3 GLN A 39 -16.790 -2.445 3.940 1.00 0.64 H new ATOM 0 HE21 GLN A 39 -17.800 -3.878 5.325 1.00 1.40 H new ATOM 0 HE22 GLN A 39 -16.902 -4.922 6.432 1.00 1.40 H new ATOM 569 N VAL A 40 -13.344 0.472 1.464 1.00 0.36 N ATOM 570 CA VAL A 40 -12.221 0.698 0.554 1.00 0.38 C ATOM 571 C VAL A 40 -10.939 0.104 1.125 1.00 0.35 C ATOM 572 O VAL A 40 -10.633 0.302 2.301 1.00 0.41 O ATOM 573 CB VAL A 40 -12.007 2.208 0.291 1.00 0.44 C ATOM 574 CG1 VAL A 40 -10.846 2.441 -0.663 1.00 0.49 C ATOM 575 CG2 VAL A 40 -13.274 2.841 -0.259 1.00 0.54 C ATOM 0 H VAL A 40 -13.823 1.325 1.754 1.00 0.36 H new ATOM 0 HA VAL A 40 -12.463 0.206 -0.388 1.00 0.38 H new ATOM 0 HB VAL A 40 -11.764 2.680 1.243 1.00 0.44 H new ATOM 0 HG11 VAL A 40 -10.720 3.511 -0.828 1.00 0.49 H new ATOM 0 HG12 VAL A 40 -9.933 2.031 -0.232 1.00 0.49 H new ATOM 0 HG13 VAL A 40 -11.052 1.949 -1.613 1.00 0.49 H new ATOM 0 HG21 VAL A 40 -13.103 3.903 -0.437 1.00 0.54 H new ATOM 0 HG22 VAL A 40 -13.546 2.355 -1.196 1.00 0.54 H new ATOM 0 HG23 VAL A 40 -14.083 2.720 0.461 1.00 0.54 H new ATOM 585 N ALA A 41 -10.189 -0.611 0.290 1.00 0.29 N ATOM 586 CA ALA A 41 -8.991 -1.284 0.732 1.00 0.28 C ATOM 587 C ALA A 41 -7.921 -1.249 -0.339 1.00 0.26 C ATOM 588 O ALA A 41 -8.218 -1.276 -1.529 1.00 0.35 O ATOM 589 CB ALA A 41 -9.300 -2.722 1.091 1.00 0.36 C ATOM 0 H ALA A 41 -10.400 -0.734 -0.700 1.00 0.29 H new ATOM 0 HA ALA A 41 -8.619 -0.761 1.613 1.00 0.28 H new ATOM 0 HB1 ALA A 41 -8.388 -3.218 1.423 1.00 0.36 H new ATOM 0 HB2 ALA A 41 -10.038 -2.746 1.892 1.00 0.36 H new ATOM 0 HB3 ALA A 41 -9.696 -3.238 0.217 1.00 0.36 H new ATOM 595 N LEU A 42 -6.678 -1.245 0.088 1.00 0.27 N ATOM 596 CA LEU A 42 -5.558 -1.237 -0.838 1.00 0.31 C ATOM 597 C LEU A 42 -4.957 -2.626 -0.919 1.00 0.31 C ATOM 598 O LEU A 42 -5.134 -3.433 -0.003 1.00 0.48 O ATOM 599 CB LEU A 42 -4.502 -0.246 -0.364 1.00 0.39 C ATOM 600 CG LEU A 42 -5.066 1.061 0.179 1.00 0.52 C ATOM 601 CD1 LEU A 42 -3.971 1.901 0.811 1.00 0.80 C ATOM 602 CD2 LEU A 42 -5.767 1.849 -0.920 1.00 0.84 C ATOM 0 H LEU A 42 -6.413 -1.247 1.073 1.00 0.27 H new ATOM 0 HA LEU A 42 -5.910 -0.937 -1.825 1.00 0.31 H new ATOM 0 HB2 LEU A 42 -3.900 -0.718 0.412 1.00 0.39 H new ATOM 0 HB3 LEU A 42 -3.832 -0.022 -1.194 1.00 0.39 H new ATOM 0 HG LEU A 42 -5.799 0.814 0.947 1.00 0.52 H new ATOM 0 HD11 LEU A 42 -4.398 2.829 1.191 1.00 0.80 H new ATOM 0 HD12 LEU A 42 -3.516 1.347 1.632 1.00 0.80 H new ATOM 0 HD13 LEU A 42 -3.211 2.131 0.064 1.00 0.80 H new ATOM 0 HD21 LEU A 42 -6.161 2.778 -0.507 1.00 0.84 H new ATOM 0 HD22 LEU A 42 -5.056 2.078 -1.714 1.00 0.84 H new ATOM 0 HD23 LEU A 42 -6.586 1.256 -1.327 1.00 0.84 H new ATOM 614 N LYS A 43 -4.304 -2.920 -2.032 1.00 0.34 N ATOM 615 CA LYS A 43 -3.629 -4.198 -2.215 1.00 0.37 C ATOM 616 C LYS A 43 -2.312 -3.959 -2.921 1.00 0.38 C ATOM 617 O LYS A 43 -2.181 -3.005 -3.685 1.00 0.53 O ATOM 618 CB LYS A 43 -4.464 -5.182 -3.057 1.00 0.42 C ATOM 619 CG LYS A 43 -5.914 -5.329 -2.626 1.00 0.49 C ATOM 620 CD LYS A 43 -6.778 -4.212 -3.193 1.00 1.00 C ATOM 621 CE LYS A 43 -8.189 -4.274 -2.652 1.00 1.29 C ATOM 622 NZ LYS A 43 -8.196 -4.410 -1.177 1.00 1.93 N ATOM 0 H LYS A 43 -4.226 -2.287 -2.828 1.00 0.34 H new ATOM 0 HA LYS A 43 -3.479 -4.639 -1.229 1.00 0.37 H new ATOM 0 HB2 LYS A 43 -4.441 -4.856 -4.097 1.00 0.42 H new ATOM 0 HB3 LYS A 43 -3.989 -6.162 -3.020 1.00 0.42 H new ATOM 0 HG2 LYS A 43 -6.298 -6.293 -2.959 1.00 0.49 H new ATOM 0 HG3 LYS A 43 -5.974 -5.321 -1.538 1.00 0.49 H new ATOM 0 HD2 LYS A 43 -6.335 -3.247 -2.947 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -6.801 -4.284 -4.280 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -8.730 -3.372 -2.938 1.00 1.29 H new ATOM 0 HE3 LYS A 43 -8.715 -5.117 -3.099 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 -9.158 -4.247 -0.818 1.00 1.93 H new ATOM 0 HZ2 LYS A 43 -7.887 -5.368 -0.915 1.00 1.93 H new ATOM 0 HZ3 LYS A 43 -7.548 -3.711 -0.761 1.00 1.93 H new ATOM 636 N ALA A 44 -1.339 -4.805 -2.668 1.00 0.36 N ATOM 637 CA ALA A 44 -0.112 -4.756 -3.430 1.00 0.37 C ATOM 638 C ALA A 44 -0.271 -5.583 -4.689 1.00 0.34 C ATOM 639 O ALA A 44 -1.104 -6.490 -4.745 1.00 0.36 O ATOM 640 CB ALA A 44 1.059 -5.255 -2.609 1.00 0.41 C ATOM 0 H ALA A 44 -1.372 -5.528 -1.949 1.00 0.36 H new ATOM 0 HA ALA A 44 0.094 -3.721 -3.701 1.00 0.37 H new ATOM 0 HB1 ALA A 44 1.969 -5.207 -3.207 1.00 0.41 H new ATOM 0 HB2 ALA A 44 1.174 -4.631 -1.723 1.00 0.41 H new ATOM 0 HB3 ALA A 44 0.878 -6.286 -2.306 1.00 0.41 H new ATOM 646 N ASP A 45 0.509 -5.262 -5.700 1.00 0.36 N ATOM 647 CA ASP A 45 0.463 -5.994 -6.951 1.00 0.39 C ATOM 648 C ASP A 45 1.081 -7.373 -6.761 1.00 0.37 C ATOM 649 O ASP A 45 1.825 -7.582 -5.810 1.00 0.35 O ATOM 650 CB ASP A 45 1.197 -5.219 -8.041 1.00 0.45 C ATOM 651 CG ASP A 45 1.077 -5.883 -9.394 1.00 0.57 C ATOM 652 OD1 ASP A 45 0.021 -5.740 -10.038 1.00 0.71 O ATOM 653 OD2 ASP A 45 2.029 -6.570 -9.807 1.00 0.64 O ATOM 0 H ASP A 45 1.184 -4.498 -5.681 1.00 0.36 H new ATOM 0 HA ASP A 45 -0.575 -6.115 -7.260 1.00 0.39 H new ATOM 0 HB2 ASP A 45 0.796 -4.207 -8.098 1.00 0.45 H new ATOM 0 HB3 ASP A 45 2.250 -5.130 -7.774 1.00 0.45 H new ATOM 658 N THR A 46 0.789 -8.295 -7.668 1.00 0.47 N ATOM 659 CA THR A 46 1.203 -9.689 -7.532 1.00 0.55 C ATOM 660 C THR A 46 2.721 -9.848 -7.353 1.00 0.47 C ATOM 661 O THR A 46 3.178 -10.850 -6.806 1.00 0.56 O ATOM 662 CB THR A 46 0.732 -10.518 -8.747 1.00 0.76 C ATOM 663 OG1 THR A 46 1.073 -11.899 -8.579 1.00 1.40 O ATOM 664 CG2 THR A 46 1.341 -9.996 -10.040 1.00 0.99 C ATOM 0 H THR A 46 0.260 -8.101 -8.518 1.00 0.47 H new ATOM 0 HA THR A 46 0.728 -10.063 -6.625 1.00 0.55 H new ATOM 0 HB THR A 46 -0.352 -10.421 -8.809 1.00 0.76 H new ATOM 0 HG1 THR A 46 0.766 -12.409 -9.357 1.00 1.40 H new ATOM 0 HG21 THR A 46 0.991 -10.600 -10.877 1.00 0.99 H new ATOM 0 HG22 THR A 46 1.042 -8.959 -10.190 1.00 0.99 H new ATOM 0 HG23 THR A 46 2.428 -10.055 -9.980 1.00 0.99 H new ATOM 672 N ASP A 47 3.494 -8.864 -7.797 1.00 0.42 N ATOM 673 CA ASP A 47 4.951 -8.922 -7.662 1.00 0.50 C ATOM 674 C ASP A 47 5.397 -8.531 -6.254 1.00 0.43 C ATOM 675 O ASP A 47 6.526 -8.811 -5.848 1.00 0.47 O ATOM 676 CB ASP A 47 5.625 -8.013 -8.691 1.00 0.66 C ATOM 677 CG ASP A 47 5.663 -8.620 -10.078 1.00 1.42 C ATOM 678 OD1 ASP A 47 6.360 -9.641 -10.273 1.00 1.72 O ATOM 679 OD2 ASP A 47 4.993 -8.084 -10.986 1.00 2.22 O ATOM 0 H ASP A 47 3.143 -8.021 -8.251 1.00 0.42 H new ATOM 0 HA ASP A 47 5.255 -9.953 -7.843 1.00 0.50 H new ATOM 0 HB2 ASP A 47 5.095 -7.062 -8.731 1.00 0.66 H new ATOM 0 HB3 ASP A 47 6.643 -7.797 -8.366 1.00 0.66 H new ATOM 684 N ASN A 48 4.502 -7.893 -5.512 1.00 0.38 N ATOM 685 CA ASN A 48 4.805 -7.421 -4.162 1.00 0.39 C ATOM 686 C ASN A 48 3.822 -8.010 -3.165 1.00 0.37 C ATOM 687 O ASN A 48 3.811 -7.634 -1.997 1.00 0.42 O ATOM 688 CB ASN A 48 4.733 -5.889 -4.104 1.00 0.50 C ATOM 689 CG ASN A 48 5.756 -5.234 -4.997 1.00 0.65 C ATOM 690 OD1 ASN A 48 5.488 -4.927 -6.159 1.00 1.35 O ATOM 691 ND2 ASN A 48 6.937 -5.008 -4.452 1.00 1.19 N ATOM 0 H ASN A 48 3.552 -7.688 -5.823 1.00 0.38 H new ATOM 0 HA ASN A 48 5.814 -7.743 -3.905 1.00 0.39 H new ATOM 0 HB2 ASN A 48 3.735 -5.563 -4.398 1.00 0.50 H new ATOM 0 HB3 ASN A 48 4.886 -5.559 -3.077 1.00 0.50 H new ATOM 0 HD21 ASN A 48 7.674 -4.561 -4.998 1.00 1.19 H new ATOM 0 HD22 ASN A 48 7.113 -5.280 -3.485 1.00 1.19 H new ATOM 698 N PHE A 49 3.010 -8.941 -3.639 1.00 0.35 N ATOM 699 CA PHE A 49 1.934 -9.503 -2.839 1.00 0.36 C ATOM 700 C PHE A 49 1.956 -11.021 -2.920 1.00 0.38 C ATOM 701 O PHE A 49 1.660 -11.597 -3.966 1.00 0.39 O ATOM 702 CB PHE A 49 0.592 -8.960 -3.344 1.00 0.38 C ATOM 703 CG PHE A 49 -0.615 -9.411 -2.573 1.00 0.38 C ATOM 704 CD1 PHE A 49 -0.966 -8.791 -1.387 1.00 0.39 C ATOM 705 CD2 PHE A 49 -1.415 -10.435 -3.052 1.00 0.51 C ATOM 706 CE1 PHE A 49 -2.092 -9.183 -0.692 1.00 0.42 C ATOM 707 CE2 PHE A 49 -2.540 -10.835 -2.359 1.00 0.56 C ATOM 708 CZ PHE A 49 -2.880 -10.206 -1.178 1.00 0.46 C ATOM 0 H PHE A 49 3.077 -9.326 -4.581 1.00 0.35 H new ATOM 0 HA PHE A 49 2.069 -9.215 -1.796 1.00 0.36 H new ATOM 0 HB2 PHE A 49 0.629 -7.871 -3.324 1.00 0.38 H new ATOM 0 HB3 PHE A 49 0.468 -9.256 -4.386 1.00 0.38 H new ATOM 0 HD1 PHE A 49 -0.352 -7.991 -1.001 1.00 0.39 H new ATOM 0 HD2 PHE A 49 -1.156 -10.926 -3.978 1.00 0.51 H new ATOM 0 HE1 PHE A 49 -2.356 -8.689 0.232 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -3.153 -11.638 -2.740 1.00 0.56 H new ATOM 0 HZ PHE A 49 -3.761 -10.514 -0.635 1.00 0.46 H new ATOM 718 N GLU A 50 2.329 -11.661 -1.827 1.00 0.44 N ATOM 719 CA GLU A 50 2.334 -13.113 -1.766 1.00 0.52 C ATOM 720 C GLU A 50 1.691 -13.587 -0.469 1.00 0.52 C ATOM 721 O GLU A 50 2.090 -13.172 0.619 1.00 0.54 O ATOM 722 CB GLU A 50 3.760 -13.664 -1.892 1.00 0.65 C ATOM 723 CG GLU A 50 4.714 -13.182 -0.811 1.00 1.22 C ATOM 724 CD GLU A 50 6.067 -13.856 -0.883 1.00 1.82 C ATOM 725 OE1 GLU A 50 6.117 -15.062 -1.203 1.00 2.15 O ATOM 726 OE2 GLU A 50 7.088 -13.178 -0.648 1.00 2.41 O ATOM 0 H GLU A 50 2.632 -11.200 -0.969 1.00 0.44 H new ATOM 0 HA GLU A 50 1.752 -13.493 -2.606 1.00 0.52 H new ATOM 0 HB2 GLU A 50 3.720 -14.753 -1.866 1.00 0.65 H new ATOM 0 HB3 GLU A 50 4.161 -13.383 -2.866 1.00 0.65 H new ATOM 0 HG2 GLU A 50 4.845 -12.104 -0.902 1.00 1.22 H new ATOM 0 HG3 GLU A 50 4.272 -13.368 0.168 1.00 1.22 H new ATOM 733 N GLN A 51 0.667 -14.428 -0.599 1.00 0.63 N ATOM 734 CA GLN A 51 -0.027 -15.009 0.552 1.00 0.76 C ATOM 735 C GLN A 51 -0.528 -13.931 1.508 1.00 0.72 C ATOM 736 O GLN A 51 -0.484 -14.093 2.730 1.00 1.07 O ATOM 737 CB GLN A 51 0.890 -15.988 1.287 1.00 0.87 C ATOM 738 CG GLN A 51 1.266 -17.200 0.453 1.00 1.71 C ATOM 739 CD GLN A 51 2.079 -18.220 1.223 1.00 2.56 C ATOM 740 OE1 GLN A 51 2.901 -18.930 0.647 1.00 2.92 O ATOM 741 NE2 GLN A 51 1.852 -18.306 2.524 1.00 3.43 N ATOM 0 H GLN A 51 0.295 -14.726 -1.501 1.00 0.63 H new ATOM 0 HA GLN A 51 -0.896 -15.550 0.177 1.00 0.76 H new ATOM 0 HB2 GLN A 51 1.799 -15.467 1.589 1.00 0.87 H new ATOM 0 HB3 GLN A 51 0.396 -16.322 2.199 1.00 0.87 H new ATOM 0 HG2 GLN A 51 0.358 -17.674 0.081 1.00 1.71 H new ATOM 0 HG3 GLN A 51 1.835 -16.873 -0.418 1.00 1.71 H new ATOM 0 HE21 GLN A 51 1.161 -17.697 2.962 1.00 3.43 H new ATOM 0 HE22 GLN A 51 2.368 -18.981 3.088 1.00 3.43 H new ATOM 750 N GLY A 52 -1.016 -12.836 0.938 1.00 0.56 N ATOM 751 CA GLY A 52 -1.557 -11.755 1.738 1.00 0.52 C ATOM 752 C GLY A 52 -0.490 -10.992 2.494 1.00 0.48 C ATOM 753 O GLY A 52 -0.698 -10.589 3.635 1.00 0.52 O ATOM 0 H GLY A 52 -1.046 -12.678 -0.069 1.00 0.56 H new ATOM 0 HA2 GLY A 52 -2.099 -11.066 1.090 1.00 0.52 H new ATOM 0 HA3 GLY A 52 -2.279 -12.160 2.447 1.00 0.52 H new ATOM 757 N LYS A 53 0.664 -10.821 1.868 1.00 0.47 N ATOM 758 CA LYS A 53 1.733 -10.011 2.433 1.00 0.47 C ATOM 759 C LYS A 53 2.269 -9.070 1.365 1.00 0.42 C ATOM 760 O LYS A 53 2.493 -9.492 0.230 1.00 0.41 O ATOM 761 CB LYS A 53 2.877 -10.896 2.934 1.00 0.53 C ATOM 762 CG LYS A 53 2.452 -12.007 3.884 1.00 1.01 C ATOM 763 CD LYS A 53 1.907 -11.459 5.193 1.00 0.65 C ATOM 764 CE LYS A 53 1.510 -12.581 6.138 1.00 1.27 C ATOM 765 NZ LYS A 53 0.407 -13.416 5.588 1.00 2.12 N ATOM 0 H LYS A 53 0.885 -11.235 0.963 1.00 0.47 H new ATOM 0 HA LYS A 53 1.331 -9.443 3.272 1.00 0.47 H new ATOM 0 HB2 LYS A 53 3.376 -11.343 2.074 1.00 0.53 H new ATOM 0 HB3 LYS A 53 3.611 -10.267 3.437 1.00 0.53 H new ATOM 0 HG2 LYS A 53 1.692 -12.623 3.404 1.00 1.01 H new ATOM 0 HG3 LYS A 53 3.304 -12.655 4.089 1.00 1.01 H new ATOM 0 HD2 LYS A 53 2.660 -10.830 5.668 1.00 0.65 H new ATOM 0 HD3 LYS A 53 1.043 -10.826 4.993 1.00 0.65 H new ATOM 0 HE2 LYS A 53 2.377 -13.211 6.335 1.00 1.27 H new ATOM 0 HE3 LYS A 53 1.201 -12.157 7.093 1.00 1.27 H new ATOM 0 HZ1 LYS A 53 -0.357 -13.489 6.290 1.00 2.12 H new ATOM 0 HZ2 LYS A 53 0.039 -12.977 4.720 1.00 2.12 H new ATOM 0 HZ3 LYS A 53 0.767 -14.367 5.369 1.00 2.12 H new ATOM 779 N PHE A 54 2.468 -7.808 1.719 1.00 0.44 N ATOM 780 CA PHE A 54 3.046 -6.853 0.789 1.00 0.41 C ATOM 781 C PHE A 54 4.383 -6.322 1.288 1.00 0.39 C ATOM 782 O PHE A 54 4.576 -6.088 2.483 1.00 0.44 O ATOM 783 CB PHE A 54 2.075 -5.706 0.449 1.00 0.43 C ATOM 784 CG PHE A 54 1.336 -5.052 1.596 1.00 0.44 C ATOM 785 CD1 PHE A 54 1.967 -4.910 2.826 1.00 0.53 C ATOM 786 CD2 PHE A 54 0.029 -4.607 1.471 1.00 0.41 C ATOM 787 CE1 PHE A 54 1.314 -4.335 3.901 1.00 0.56 C ATOM 788 CE2 PHE A 54 -0.630 -4.033 2.543 1.00 0.44 C ATOM 789 CZ PHE A 54 -0.062 -3.802 3.657 1.00 0.51 C ATOM 0 H PHE A 54 2.239 -7.425 2.636 1.00 0.44 H new ATOM 0 HA PHE A 54 3.232 -7.394 -0.139 1.00 0.41 H new ATOM 0 HB2 PHE A 54 2.638 -4.932 -0.073 1.00 0.43 H new ATOM 0 HB3 PHE A 54 1.334 -6.089 -0.253 1.00 0.43 H new ATOM 0 HD1 PHE A 54 2.984 -5.254 2.944 1.00 0.53 H new ATOM 0 HD2 PHE A 54 -0.481 -4.710 0.525 1.00 0.41 H new ATOM 0 HE1 PHE A 54 1.778 -4.274 4.875 1.00 0.56 H new ATOM 0 HE2 PHE A 54 -1.671 -3.770 2.429 1.00 0.44 H new ATOM 0 HZ PHE A 54 -0.568 -3.227 4.419 1.00 0.51 H new ATOM 799 N PHE A 55 5.311 -6.152 0.358 1.00 0.37 N ATOM 800 CA PHE A 55 6.666 -5.738 0.682 1.00 0.36 C ATOM 801 C PHE A 55 7.298 -5.048 -0.518 1.00 0.42 C ATOM 802 O PHE A 55 6.836 -5.208 -1.649 1.00 0.55 O ATOM 803 CB PHE A 55 7.515 -6.959 1.070 1.00 0.36 C ATOM 804 CG PHE A 55 7.505 -8.037 0.022 1.00 0.39 C ATOM 805 CD1 PHE A 55 6.523 -9.016 0.026 1.00 0.53 C ATOM 806 CD2 PHE A 55 8.461 -8.056 -0.978 1.00 0.41 C ATOM 807 CE1 PHE A 55 6.499 -9.994 -0.946 1.00 0.59 C ATOM 808 CE2 PHE A 55 8.439 -9.030 -1.956 1.00 0.48 C ATOM 809 CZ PHE A 55 7.457 -10.000 -1.940 1.00 0.54 C ATOM 0 H PHE A 55 5.146 -6.297 -0.638 1.00 0.37 H new ATOM 0 HA PHE A 55 6.627 -5.045 1.522 1.00 0.36 H new ATOM 0 HB2 PHE A 55 8.542 -6.640 1.245 1.00 0.36 H new ATOM 0 HB3 PHE A 55 7.144 -7.369 2.009 1.00 0.36 H new ATOM 0 HD1 PHE A 55 5.769 -9.013 0.799 1.00 0.53 H new ATOM 0 HD2 PHE A 55 9.233 -7.301 -0.994 1.00 0.41 H new ATOM 0 HE1 PHE A 55 5.732 -10.754 -0.930 1.00 0.59 H new ATOM 0 HE2 PHE A 55 9.189 -9.033 -2.733 1.00 0.48 H new ATOM 0 HZ PHE A 55 7.438 -10.763 -2.704 1.00 0.54 H new ATOM 819 N LEU A 56 8.347 -4.286 -0.271 1.00 0.37 N ATOM 820 CA LEU A 56 9.148 -3.728 -1.348 1.00 0.44 C ATOM 821 C LEU A 56 10.128 -4.776 -1.852 1.00 0.44 C ATOM 822 O LEU A 56 10.645 -5.571 -1.068 1.00 0.53 O ATOM 823 CB LEU A 56 9.889 -2.472 -0.874 1.00 0.53 C ATOM 824 CG LEU A 56 10.539 -2.566 0.509 1.00 0.81 C ATOM 825 CD1 LEU A 56 11.933 -3.161 0.416 1.00 1.53 C ATOM 826 CD2 LEU A 56 10.582 -1.202 1.176 1.00 1.27 C ATOM 0 H LEU A 56 8.666 -4.038 0.666 1.00 0.37 H new ATOM 0 HA LEU A 56 8.490 -3.438 -2.168 1.00 0.44 H new ATOM 0 HB2 LEU A 56 10.663 -2.232 -1.603 1.00 0.53 H new ATOM 0 HB3 LEU A 56 9.187 -1.638 -0.869 1.00 0.53 H new ATOM 0 HG LEU A 56 9.929 -3.229 1.123 1.00 0.81 H new ATOM 0 HD11 LEU A 56 12.372 -3.217 1.412 1.00 1.53 H new ATOM 0 HD12 LEU A 56 11.874 -4.162 -0.011 1.00 1.53 H new ATOM 0 HD13 LEU A 56 12.555 -2.532 -0.220 1.00 1.53 H new ATOM 0 HD21 LEU A 56 11.048 -1.291 2.157 1.00 1.27 H new ATOM 0 HD22 LEU A 56 11.162 -0.514 0.561 1.00 1.27 H new ATOM 0 HD23 LEU A 56 9.567 -0.820 1.289 1.00 1.27 H new ATOM 838 N ILE A 57 10.370 -4.796 -3.150 1.00 0.42 N ATOM 839 CA ILE A 57 11.291 -5.761 -3.716 1.00 0.45 C ATOM 840 C ILE A 57 12.434 -5.046 -4.437 1.00 0.46 C ATOM 841 O ILE A 57 12.249 -3.961 -4.992 1.00 0.52 O ATOM 842 CB ILE A 57 10.572 -6.749 -4.664 1.00 0.53 C ATOM 843 CG1 ILE A 57 11.482 -7.939 -4.977 1.00 0.57 C ATOM 844 CG2 ILE A 57 10.134 -6.063 -5.949 1.00 0.62 C ATOM 845 CD1 ILE A 57 11.785 -8.797 -3.769 1.00 0.57 C ATOM 0 H ILE A 57 9.945 -4.161 -3.826 1.00 0.42 H new ATOM 0 HA ILE A 57 11.708 -6.346 -2.896 1.00 0.45 H new ATOM 0 HB ILE A 57 9.677 -7.111 -4.158 1.00 0.53 H new ATOM 0 HG12 ILE A 57 11.011 -8.556 -5.743 1.00 0.57 H new ATOM 0 HG13 ILE A 57 12.418 -7.571 -5.396 1.00 0.57 H new ATOM 0 HG21 ILE A 57 9.632 -6.784 -6.594 1.00 0.62 H new ATOM 0 HG22 ILE A 57 9.448 -5.250 -5.712 1.00 0.62 H new ATOM 0 HG23 ILE A 57 11.007 -5.663 -6.464 1.00 0.62 H new ATOM 0 HD11 ILE A 57 12.434 -9.622 -4.062 1.00 0.57 H new ATOM 0 HD12 ILE A 57 12.284 -8.194 -3.010 1.00 0.57 H new ATOM 0 HD13 ILE A 57 10.855 -9.194 -3.362 1.00 0.57 H new ATOM 857 N SER A 58 13.613 -5.652 -4.400 1.00 0.52 N ATOM 858 CA SER A 58 14.812 -5.053 -4.960 1.00 0.62 C ATOM 859 C SER A 58 15.139 -5.627 -6.333 1.00 0.72 C ATOM 860 O SER A 58 14.491 -6.568 -6.795 1.00 0.77 O ATOM 861 CB SER A 58 15.989 -5.288 -4.011 1.00 0.78 C ATOM 862 OG SER A 58 15.927 -6.586 -3.434 1.00 1.44 O ATOM 0 H SER A 58 13.763 -6.570 -3.982 1.00 0.52 H new ATOM 0 HA SER A 58 14.632 -3.984 -5.079 1.00 0.62 H new ATOM 0 HB2 SER A 58 16.927 -5.172 -4.554 1.00 0.78 H new ATOM 0 HB3 SER A 58 15.981 -4.535 -3.223 1.00 0.78 H new ATOM 0 HG SER A 58 15.448 -6.542 -2.580 1.00 1.44 H new ATOM 868 N ASP A 59 16.156 -5.051 -6.968 1.00 0.97 N ATOM 869 CA ASP A 59 16.669 -5.542 -8.247 1.00 1.18 C ATOM 870 C ASP A 59 17.019 -7.021 -8.150 1.00 1.20 C ATOM 871 O ASP A 59 16.742 -7.807 -9.054 1.00 1.34 O ATOM 872 CB ASP A 59 17.938 -4.774 -8.638 1.00 1.57 C ATOM 873 CG ASP A 59 17.775 -3.268 -8.587 1.00 1.80 C ATOM 874 OD1 ASP A 59 17.803 -2.700 -7.473 1.00 2.31 O ATOM 875 OD2 ASP A 59 17.592 -2.654 -9.664 1.00 2.17 O ATOM 0 H ASP A 59 16.648 -4.232 -6.612 1.00 0.97 H new ATOM 0 HA ASP A 59 15.893 -5.394 -8.998 1.00 1.18 H new ATOM 0 HB2 ASP A 59 18.749 -5.066 -7.971 1.00 1.57 H new ATOM 0 HB3 ASP A 59 18.233 -5.065 -9.646 1.00 1.57 H new ATOM 880 N ASN A 60 17.626 -7.384 -7.029 1.00 1.26 N ATOM 881 CA ASN A 60 18.142 -8.730 -6.828 1.00 1.52 C ATOM 882 C ASN A 60 17.060 -9.659 -6.305 1.00 1.40 C ATOM 883 O ASN A 60 17.231 -10.875 -6.308 1.00 1.74 O ATOM 884 CB ASN A 60 19.293 -8.709 -5.816 1.00 1.82 C ATOM 885 CG ASN A 60 20.085 -7.419 -5.851 1.00 2.52 C ATOM 886 OD1 ASN A 60 19.746 -6.455 -5.163 1.00 3.09 O ATOM 887 ND2 ASN A 60 21.140 -7.391 -6.643 1.00 3.05 N ATOM 0 H ASN A 60 17.774 -6.758 -6.238 1.00 1.26 H new ATOM 0 HA ASN A 60 18.494 -9.094 -7.793 1.00 1.52 H new ATOM 0 HB2 ASN A 60 18.891 -8.856 -4.813 1.00 1.82 H new ATOM 0 HB3 ASN A 60 19.962 -9.546 -6.017 1.00 1.82 H new ATOM 0 HD21 ASN A 60 21.711 -6.548 -6.703 1.00 3.05 H new ATOM 0 HD22 ASN A 60 21.385 -8.213 -7.196 1.00 3.05 H new ATOM 894 N ASN A 61 15.950 -9.073 -5.846 1.00 1.11 N ATOM 895 CA ASN A 61 14.894 -9.819 -5.154 1.00 1.06 C ATOM 896 C ASN A 61 15.437 -10.433 -3.865 1.00 1.11 C ATOM 897 O ASN A 61 14.841 -11.347 -3.294 1.00 1.55 O ATOM 898 CB ASN A 61 14.296 -10.916 -6.050 1.00 1.29 C ATOM 899 CG ASN A 61 13.559 -10.356 -7.253 1.00 1.85 C ATOM 900 OD1 ASN A 61 12.360 -10.085 -7.192 1.00 2.62 O ATOM 901 ND2 ASN A 61 14.266 -10.193 -8.359 1.00 2.37 N ATOM 0 H ASN A 61 15.759 -8.076 -5.942 1.00 1.11 H new ATOM 0 HA ASN A 61 14.098 -9.116 -4.910 1.00 1.06 H new ATOM 0 HB2 ASN A 61 15.094 -11.574 -6.393 1.00 1.29 H new ATOM 0 HB3 ASN A 61 13.611 -11.526 -5.461 1.00 1.29 H new ATOM 0 HD21 ASN A 61 13.819 -9.831 -9.201 1.00 2.37 H new ATOM 0 HD22 ASN A 61 15.258 -10.429 -8.370 1.00 2.37 H new ATOM 908 N ARG A 62 16.561 -9.899 -3.397 1.00 0.98 N ATOM 909 CA ARG A 62 17.239 -10.424 -2.242 1.00 1.06 C ATOM 910 C ARG A 62 16.746 -9.747 -0.968 1.00 0.90 C ATOM 911 O ARG A 62 16.403 -10.413 0.008 1.00 1.01 O ATOM 912 CB ARG A 62 18.735 -10.192 -2.406 1.00 1.27 C ATOM 913 CG ARG A 62 19.532 -10.598 -1.194 1.00 1.79 C ATOM 914 CD ARG A 62 20.024 -12.036 -1.283 1.00 2.44 C ATOM 915 NE ARG A 62 18.950 -12.985 -1.582 1.00 3.13 N ATOM 916 CZ ARG A 62 18.924 -13.746 -2.677 1.00 3.67 C ATOM 917 NH1 ARG A 62 19.889 -13.633 -3.583 1.00 3.55 N ATOM 918 NH2 ARG A 62 17.936 -14.612 -2.868 1.00 4.66 N ATOM 0 H ARG A 62 17.019 -9.090 -3.816 1.00 0.98 H new ATOM 0 HA ARG A 62 17.031 -11.491 -2.159 1.00 1.06 H new ATOM 0 HB2 ARG A 62 19.091 -10.751 -3.271 1.00 1.27 H new ATOM 0 HB3 ARG A 62 18.912 -9.137 -2.613 1.00 1.27 H new ATOM 0 HG2 ARG A 62 20.386 -9.930 -1.083 1.00 1.79 H new ATOM 0 HG3 ARG A 62 18.917 -10.481 -0.301 1.00 1.79 H new ATOM 0 HD2 ARG A 62 20.790 -12.106 -2.055 1.00 2.44 H new ATOM 0 HD3 ARG A 62 20.496 -12.313 -0.340 1.00 2.44 H new ATOM 0 HE ARG A 62 18.181 -13.069 -0.918 1.00 3.13 H new ATOM 0 HH11 ARG A 62 20.647 -12.966 -3.440 1.00 3.55 H new ATOM 0 HH12 ARG A 62 19.872 -14.214 -4.421 1.00 3.55 H new ATOM 0 HH21 ARG A 62 17.192 -14.698 -2.176 1.00 4.66 H new ATOM 0 HH22 ARG A 62 17.921 -15.192 -3.707 1.00 4.66 H new ATOM 932 N ASP A 63 16.722 -8.421 -0.981 1.00 0.81 N ATOM 933 CA ASP A 63 16.295 -7.667 0.188 1.00 0.75 C ATOM 934 C ASP A 63 14.861 -7.202 0.002 1.00 0.61 C ATOM 935 O ASP A 63 14.490 -6.707 -1.069 1.00 0.69 O ATOM 936 CB ASP A 63 17.210 -6.461 0.430 1.00 0.92 C ATOM 937 CG ASP A 63 17.019 -5.857 1.812 1.00 1.70 C ATOM 938 OD1 ASP A 63 15.936 -5.304 2.086 1.00 2.51 O ATOM 939 OD2 ASP A 63 17.956 -5.939 2.632 1.00 2.02 O ATOM 0 H ASP A 63 16.991 -7.850 -1.782 1.00 0.81 H new ATOM 0 HA ASP A 63 16.356 -8.319 1.059 1.00 0.75 H new ATOM 0 HB2 ASP A 63 18.249 -6.767 0.311 1.00 0.92 H new ATOM 0 HB3 ASP A 63 17.013 -5.701 -0.326 1.00 0.92 H new ATOM 944 N LYS A 64 14.060 -7.379 1.036 1.00 0.51 N ATOM 945 CA LYS A 64 12.666 -6.987 1.004 1.00 0.48 C ATOM 946 C LYS A 64 12.242 -6.474 2.372 1.00 0.52 C ATOM 947 O LYS A 64 12.829 -6.835 3.391 1.00 0.86 O ATOM 948 CB LYS A 64 11.785 -8.164 0.557 1.00 0.57 C ATOM 949 CG LYS A 64 11.954 -9.426 1.392 1.00 0.65 C ATOM 950 CD LYS A 64 11.108 -9.404 2.658 1.00 0.84 C ATOM 951 CE LYS A 64 11.578 -10.453 3.657 1.00 1.52 C ATOM 952 NZ LYS A 64 11.828 -11.771 3.016 1.00 2.07 N ATOM 0 H LYS A 64 14.357 -7.797 1.918 1.00 0.51 H new ATOM 0 HA LYS A 64 12.539 -6.183 0.279 1.00 0.48 H new ATOM 0 HB2 LYS A 64 10.740 -7.855 0.594 1.00 0.57 H new ATOM 0 HB3 LYS A 64 12.012 -8.398 -0.483 1.00 0.57 H new ATOM 0 HG2 LYS A 64 11.682 -10.294 0.792 1.00 0.65 H new ATOM 0 HG3 LYS A 64 13.004 -9.541 1.662 1.00 0.65 H new ATOM 0 HD2 LYS A 64 11.159 -8.416 3.115 1.00 0.84 H new ATOM 0 HD3 LYS A 64 10.064 -9.584 2.403 1.00 0.84 H new ATOM 0 HE2 LYS A 64 12.492 -10.107 4.140 1.00 1.52 H new ATOM 0 HE3 LYS A 64 10.828 -10.568 4.439 1.00 1.52 H new ATOM 0 HZ1 LYS A 64 11.963 -12.494 3.751 1.00 2.07 H new ATOM 0 HZ2 LYS A 64 11.014 -12.028 2.423 1.00 2.07 H new ATOM 0 HZ3 LYS A 64 12.682 -11.713 2.426 1.00 2.07 H new ATOM 966 N LEU A 65 11.229 -5.632 2.387 1.00 0.34 N ATOM 967 CA LEU A 65 10.724 -5.062 3.619 1.00 0.34 C ATOM 968 C LEU A 65 9.247 -4.757 3.478 1.00 0.38 C ATOM 969 O LEU A 65 8.808 -4.214 2.464 1.00 0.72 O ATOM 970 CB LEU A 65 11.506 -3.800 3.970 1.00 0.52 C ATOM 971 CG LEU A 65 10.919 -2.933 5.076 1.00 1.18 C ATOM 972 CD1 LEU A 65 11.062 -3.609 6.433 1.00 1.98 C ATOM 973 CD2 LEU A 65 11.595 -1.575 5.065 1.00 1.96 C ATOM 0 H LEU A 65 10.735 -5.325 1.549 1.00 0.34 H new ATOM 0 HA LEU A 65 10.853 -5.782 4.428 1.00 0.34 H new ATOM 0 HB2 LEU A 65 12.515 -4.092 4.262 1.00 0.52 H new ATOM 0 HB3 LEU A 65 11.598 -3.192 3.070 1.00 0.52 H new ATOM 0 HG LEU A 65 9.853 -2.797 4.894 1.00 1.18 H new ATOM 0 HD11 LEU A 65 10.635 -2.969 7.205 1.00 1.98 H new ATOM 0 HD12 LEU A 65 10.536 -4.564 6.421 1.00 1.98 H new ATOM 0 HD13 LEU A 65 12.118 -3.779 6.645 1.00 1.98 H new ATOM 0 HD21 LEU A 65 11.176 -0.953 5.856 1.00 1.96 H new ATOM 0 HD22 LEU A 65 12.665 -1.700 5.230 1.00 1.96 H new ATOM 0 HD23 LEU A 65 11.431 -1.095 4.101 1.00 1.96 H new ATOM 985 N TYR A 66 8.491 -5.125 4.487 1.00 0.32 N ATOM 986 CA TYR A 66 7.055 -4.949 4.469 1.00 0.34 C ATOM 987 C TYR A 66 6.703 -3.501 4.782 1.00 0.36 C ATOM 988 O TYR A 66 7.219 -2.915 5.734 1.00 0.44 O ATOM 989 CB TYR A 66 6.417 -5.896 5.482 1.00 0.39 C ATOM 990 CG TYR A 66 6.683 -7.361 5.191 1.00 0.41 C ATOM 991 CD1 TYR A 66 7.894 -7.955 5.530 1.00 0.55 C ATOM 992 CD2 TYR A 66 5.712 -8.154 4.583 1.00 0.50 C ATOM 993 CE1 TYR A 66 8.129 -9.292 5.272 1.00 0.64 C ATOM 994 CE2 TYR A 66 5.943 -9.490 4.321 1.00 0.59 C ATOM 995 CZ TYR A 66 7.188 -10.043 4.645 1.00 0.62 C ATOM 996 OH TYR A 66 7.383 -11.386 4.411 1.00 0.75 O ATOM 0 H TYR A 66 8.851 -5.553 5.340 1.00 0.32 H new ATOM 0 HA TYR A 66 6.669 -5.184 3.477 1.00 0.34 H new ATOM 0 HB2 TYR A 66 6.792 -5.657 6.477 1.00 0.39 H new ATOM 0 HB3 TYR A 66 5.340 -5.726 5.498 1.00 0.39 H new ATOM 0 HD1 TYR A 66 8.663 -7.362 6.002 1.00 0.55 H new ATOM 0 HD2 TYR A 66 4.763 -7.716 4.312 1.00 0.50 H new ATOM 0 HE1 TYR A 66 9.065 -9.741 5.570 1.00 0.64 H new ATOM 0 HE2 TYR A 66 5.173 -10.100 3.872 1.00 0.59 H new ATOM 0 HH TYR A 66 6.600 -11.755 3.952 1.00 0.75 H new ATOM 1006 N VAL A 67 5.841 -2.925 3.963 1.00 0.35 N ATOM 1007 CA VAL A 67 5.451 -1.533 4.120 1.00 0.38 C ATOM 1008 C VAL A 67 3.939 -1.406 4.216 1.00 0.40 C ATOM 1009 O VAL A 67 3.206 -1.957 3.398 1.00 0.73 O ATOM 1010 CB VAL A 67 5.975 -0.662 2.956 1.00 0.49 C ATOM 1011 CG1 VAL A 67 7.480 -0.472 3.071 1.00 0.67 C ATOM 1012 CG2 VAL A 67 5.623 -1.288 1.615 1.00 0.60 C ATOM 0 H VAL A 67 5.395 -3.401 3.179 1.00 0.35 H new ATOM 0 HA VAL A 67 5.900 -1.173 5.046 1.00 0.38 H new ATOM 0 HB VAL A 67 5.494 0.314 3.017 1.00 0.49 H new ATOM 0 HG11 VAL A 67 7.833 0.144 2.244 1.00 0.67 H new ATOM 0 HG12 VAL A 67 7.714 0.020 4.015 1.00 0.67 H new ATOM 0 HG13 VAL A 67 7.973 -1.444 3.037 1.00 0.67 H new ATOM 0 HG21 VAL A 67 6.001 -0.659 0.809 1.00 0.60 H new ATOM 0 HG22 VAL A 67 6.075 -2.277 1.545 1.00 0.60 H new ATOM 0 HG23 VAL A 67 4.540 -1.377 1.528 1.00 0.60 H new ATOM 1022 N ASN A 68 3.479 -0.673 5.216 1.00 0.42 N ATOM 1023 CA ASN A 68 2.053 -0.549 5.475 1.00 0.49 C ATOM 1024 C ASN A 68 1.533 0.762 4.908 1.00 0.43 C ATOM 1025 O ASN A 68 2.015 1.840 5.268 1.00 0.50 O ATOM 1026 CB ASN A 68 1.763 -0.612 6.981 1.00 0.74 C ATOM 1027 CG ASN A 68 2.292 -1.877 7.639 1.00 0.99 C ATOM 1028 OD1 ASN A 68 2.403 -2.924 7.007 1.00 1.81 O ATOM 1029 ND2 ASN A 68 2.613 -1.787 8.922 1.00 1.60 N ATOM 0 H ASN A 68 4.073 -0.154 5.863 1.00 0.42 H new ATOM 0 HA ASN A 68 1.545 -1.382 4.989 1.00 0.49 H new ATOM 0 HB2 ASN A 68 2.208 0.256 7.467 1.00 0.74 H new ATOM 0 HB3 ASN A 68 0.687 -0.550 7.140 1.00 0.74 H new ATOM 0 HD21 ASN A 68 2.966 -2.605 9.418 1.00 1.60 H new ATOM 0 HD22 ASN A 68 2.507 -0.899 9.413 1.00 1.60 H new ATOM 1036 N ILE A 69 0.560 0.667 4.017 1.00 0.42 N ATOM 1037 CA ILE A 69 -0.041 1.846 3.408 1.00 0.41 C ATOM 1038 C ILE A 69 -1.113 2.416 4.326 1.00 0.41 C ATOM 1039 O ILE A 69 -2.286 2.067 4.218 1.00 0.50 O ATOM 1040 CB ILE A 69 -0.672 1.531 2.035 1.00 0.50 C ATOM 1041 CG1 ILE A 69 -0.273 0.127 1.562 1.00 0.48 C ATOM 1042 CG2 ILE A 69 -0.251 2.584 1.019 1.00 0.81 C ATOM 1043 CD1 ILE A 69 -0.933 -0.294 0.267 1.00 0.74 C ATOM 0 H ILE A 69 0.167 -0.218 3.697 1.00 0.42 H new ATOM 0 HA ILE A 69 0.757 2.574 3.258 1.00 0.41 H new ATOM 0 HB ILE A 69 -1.757 1.553 2.134 1.00 0.50 H new ATOM 0 HG12 ILE A 69 0.809 0.091 1.436 1.00 0.48 H new ATOM 0 HG13 ILE A 69 -0.527 -0.594 2.339 1.00 0.48 H new ATOM 0 HG21 ILE A 69 -0.699 2.356 0.052 1.00 0.81 H new ATOM 0 HG22 ILE A 69 -0.587 3.566 1.352 1.00 0.81 H new ATOM 0 HG23 ILE A 69 0.835 2.585 0.924 1.00 0.81 H new ATOM 0 HD11 ILE A 69 -0.601 -1.297 -0.001 1.00 0.74 H new ATOM 0 HD12 ILE A 69 -2.016 -0.292 0.393 1.00 0.74 H new ATOM 0 HD13 ILE A 69 -0.658 0.403 -0.525 1.00 0.74 H new ATOM 1055 N ARG A 70 -0.702 3.284 5.234 1.00 0.43 N ATOM 1056 CA ARG A 70 -1.595 3.789 6.263 1.00 0.45 C ATOM 1057 C ARG A 70 -2.109 5.167 5.873 1.00 0.39 C ATOM 1058 O ARG A 70 -1.392 5.941 5.237 1.00 0.41 O ATOM 1059 CB ARG A 70 -0.865 3.867 7.612 1.00 0.55 C ATOM 1060 CG ARG A 70 0.034 2.673 7.899 1.00 1.33 C ATOM 1061 CD ARG A 70 0.740 2.818 9.237 1.00 1.39 C ATOM 1062 NE ARG A 70 1.974 2.027 9.305 1.00 2.23 N ATOM 1063 CZ ARG A 70 2.548 1.641 10.445 1.00 2.69 C ATOM 1064 NH1 ARG A 70 1.950 1.869 11.607 1.00 2.42 N ATOM 1065 NH2 ARG A 70 3.719 1.013 10.427 1.00 3.79 N ATOM 0 H ARG A 70 0.247 3.655 5.280 1.00 0.43 H new ATOM 0 HA ARG A 70 -2.439 3.106 6.360 1.00 0.45 H new ATOM 0 HB2 ARG A 70 -0.264 4.776 7.636 1.00 0.55 H new ATOM 0 HB3 ARG A 70 -1.604 3.952 8.409 1.00 0.55 H new ATOM 0 HG2 ARG A 70 -0.561 1.759 7.897 1.00 1.33 H new ATOM 0 HG3 ARG A 70 0.774 2.574 7.105 1.00 1.33 H new ATOM 0 HD2 ARG A 70 0.975 3.868 9.409 1.00 1.39 H new ATOM 0 HD3 ARG A 70 0.067 2.506 10.036 1.00 1.39 H new ATOM 0 HE ARG A 70 2.419 1.756 8.428 1.00 2.23 H new ATOM 0 HH11 ARG A 70 1.047 2.342 11.632 1.00 2.42 H new ATOM 0 HH12 ARG A 70 2.394 1.572 12.476 1.00 2.42 H new ATOM 0 HH21 ARG A 70 4.183 0.824 9.538 1.00 3.79 H new ATOM 0 HH22 ARG A 70 4.154 0.720 11.302 1.00 3.79 H new ATOM 1079 N PRO A 71 -3.370 5.476 6.210 1.00 0.40 N ATOM 1080 CA PRO A 71 -3.946 6.805 5.988 1.00 0.44 C ATOM 1081 C PRO A 71 -3.065 7.920 6.538 1.00 0.47 C ATOM 1082 O PRO A 71 -2.467 7.781 7.608 1.00 0.55 O ATOM 1083 CB PRO A 71 -5.267 6.751 6.754 1.00 0.59 C ATOM 1084 CG PRO A 71 -5.637 5.310 6.769 1.00 0.54 C ATOM 1085 CD PRO A 71 -4.344 4.542 6.802 1.00 0.50 C ATOM 0 HA PRO A 71 -4.058 7.025 4.926 1.00 0.44 H new ATOM 0 HB2 PRO A 71 -5.154 7.141 7.765 1.00 0.59 H new ATOM 0 HB3 PRO A 71 -6.034 7.351 6.264 1.00 0.59 H new ATOM 0 HG2 PRO A 71 -6.251 5.075 7.639 1.00 0.54 H new ATOM 0 HG3 PRO A 71 -6.221 5.050 5.887 1.00 0.54 H new ATOM 0 HD2 PRO A 71 -4.067 4.266 7.820 1.00 0.50 H new ATOM 0 HD3 PRO A 71 -4.412 3.617 6.229 1.00 0.50 H new ATOM 1093 N MET A 72 -2.975 9.016 5.796 1.00 0.52 N ATOM 1094 CA MET A 72 -2.227 10.183 6.240 1.00 0.65 C ATOM 1095 C MET A 72 -3.053 10.948 7.270 1.00 0.81 C ATOM 1096 O MET A 72 -3.641 11.984 6.961 1.00 1.66 O ATOM 1097 CB MET A 72 -1.869 11.084 5.047 1.00 0.75 C ATOM 1098 CG MET A 72 -1.069 12.323 5.422 1.00 0.89 C ATOM 1099 SD MET A 72 0.538 11.927 6.135 1.00 1.54 S ATOM 1100 CE MET A 72 1.178 13.569 6.449 1.00 1.71 C ATOM 0 H MET A 72 -3.413 9.120 4.881 1.00 0.52 H new ATOM 0 HA MET A 72 -1.294 9.859 6.701 1.00 0.65 H new ATOM 0 HB2 MET A 72 -1.298 10.501 4.324 1.00 0.75 H new ATOM 0 HB3 MET A 72 -2.789 11.395 4.551 1.00 0.75 H new ATOM 0 HG2 MET A 72 -0.926 12.940 4.535 1.00 0.89 H new ATOM 0 HG3 MET A 72 -1.641 12.917 6.134 1.00 0.89 H new ATOM 0 HE1 MET A 72 2.171 13.494 6.892 1.00 1.71 H new ATOM 0 HE2 MET A 72 1.240 14.121 5.511 1.00 1.71 H new ATOM 0 HE3 MET A 72 0.513 14.094 7.135 1.00 1.71 H new ATOM 1110 N ASP A 73 -3.114 10.381 8.480 1.00 0.85 N ATOM 1111 CA ASP A 73 -3.945 10.890 9.576 1.00 0.91 C ATOM 1112 C ASP A 73 -5.330 11.295 9.082 1.00 0.97 C ATOM 1113 O ASP A 73 -5.585 12.462 8.780 1.00 1.54 O ATOM 1114 CB ASP A 73 -3.272 12.059 10.298 1.00 1.06 C ATOM 1115 CG ASP A 73 -4.036 12.466 11.542 1.00 1.38 C ATOM 1116 OD1 ASP A 73 -4.301 11.589 12.391 1.00 1.74 O ATOM 1117 OD2 ASP A 73 -4.392 13.655 11.670 1.00 1.92 O ATOM 0 H ASP A 73 -2.582 9.547 8.728 1.00 0.85 H new ATOM 0 HA ASP A 73 -4.062 10.076 10.291 1.00 0.91 H new ATOM 0 HB2 ASP A 73 -2.254 11.780 10.571 1.00 1.06 H new ATOM 0 HB3 ASP A 73 -3.199 12.910 9.621 1.00 1.06 H new ATOM 1122 N ASN A 74 -6.226 10.328 8.998 1.00 0.80 N ATOM 1123 CA ASN A 74 -7.529 10.569 8.401 1.00 0.90 C ATOM 1124 C ASN A 74 -8.598 9.740 9.097 1.00 1.03 C ATOM 1125 O ASN A 74 -9.471 10.279 9.775 1.00 1.89 O ATOM 1126 CB ASN A 74 -7.484 10.223 6.912 1.00 0.90 C ATOM 1127 CG ASN A 74 -8.390 11.101 6.073 1.00 1.11 C ATOM 1128 OD1 ASN A 74 -9.589 10.848 5.950 1.00 1.73 O ATOM 1129 ND2 ASN A 74 -7.808 12.112 5.447 1.00 1.21 N ATOM 0 H ASN A 74 -6.078 9.376 9.332 1.00 0.80 H new ATOM 0 HA ASN A 74 -7.780 11.623 8.520 1.00 0.90 H new ATOM 0 HB2 ASN A 74 -6.459 10.320 6.553 1.00 0.90 H new ATOM 0 HB3 ASN A 74 -7.772 9.180 6.778 1.00 0.90 H new ATOM 0 HD21 ASN A 74 -8.356 12.716 4.835 1.00 1.21 H new ATOM 0 HD22 ASN A 74 -6.811 12.287 5.577 1.00 1.21 H new ATOM 1136 N SER A 75 -8.517 8.423 8.941 1.00 0.90 N ATOM 1137 CA SER A 75 -9.474 7.514 9.556 1.00 0.90 C ATOM 1138 C SER A 75 -8.759 6.250 10.017 1.00 0.84 C ATOM 1139 O SER A 75 -7.628 5.985 9.598 1.00 0.93 O ATOM 1140 CB SER A 75 -10.576 7.145 8.560 1.00 0.93 C ATOM 1141 OG SER A 75 -11.092 8.296 7.909 1.00 1.70 O ATOM 0 H SER A 75 -7.794 7.960 8.390 1.00 0.90 H new ATOM 0 HA SER A 75 -9.927 8.011 10.414 1.00 0.90 H new ATOM 0 HB2 SER A 75 -10.180 6.452 7.818 1.00 0.93 H new ATOM 0 HB3 SER A 75 -11.382 6.628 9.081 1.00 0.93 H new ATOM 0 HG SER A 75 -11.903 8.056 7.414 1.00 1.70 H new ATOM 1147 N ALA A 76 -9.413 5.471 10.867 1.00 0.82 N ATOM 1148 CA ALA A 76 -8.833 4.233 11.364 1.00 0.78 C ATOM 1149 C ALA A 76 -9.114 3.086 10.403 1.00 0.63 C ATOM 1150 O ALA A 76 -10.250 2.618 10.280 1.00 0.77 O ATOM 1151 CB ALA A 76 -9.361 3.909 12.753 1.00 0.94 C ATOM 0 H ALA A 76 -10.346 5.675 11.226 1.00 0.82 H new ATOM 0 HA ALA A 76 -7.753 4.367 11.433 1.00 0.78 H new ATOM 0 HB1 ALA A 76 -8.914 2.979 13.105 1.00 0.94 H new ATOM 0 HB2 ALA A 76 -9.104 4.717 13.438 1.00 0.94 H new ATOM 0 HB3 ALA A 76 -10.445 3.798 12.714 1.00 0.94 H new ATOM 1157 N TRP A 77 -8.079 2.662 9.700 1.00 0.47 N ATOM 1158 CA TRP A 77 -8.180 1.550 8.769 1.00 0.38 C ATOM 1159 C TRP A 77 -7.597 0.288 9.396 1.00 0.40 C ATOM 1160 O TRP A 77 -6.551 0.339 10.043 1.00 0.50 O ATOM 1161 CB TRP A 77 -7.438 1.869 7.465 1.00 0.35 C ATOM 1162 CG TRP A 77 -8.142 2.839 6.551 1.00 0.31 C ATOM 1163 CD1 TRP A 77 -8.835 3.972 6.893 1.00 0.30 C ATOM 1164 CD2 TRP A 77 -8.198 2.758 5.124 1.00 0.32 C ATOM 1165 NE1 TRP A 77 -9.332 4.583 5.758 1.00 0.31 N ATOM 1166 CE2 TRP A 77 -8.946 3.855 4.663 1.00 0.32 C ATOM 1167 CE3 TRP A 77 -7.687 1.859 4.192 1.00 0.37 C ATOM 1168 CZ2 TRP A 77 -9.195 4.068 3.310 1.00 0.37 C ATOM 1169 CZ3 TRP A 77 -7.932 2.073 2.851 1.00 0.42 C ATOM 1170 CH2 TRP A 77 -8.680 3.170 2.420 1.00 0.42 C ATOM 0 H TRP A 77 -7.148 3.076 9.757 1.00 0.47 H new ATOM 0 HA TRP A 77 -9.234 1.386 8.542 1.00 0.38 H new ATOM 0 HB2 TRP A 77 -6.457 2.274 7.713 1.00 0.35 H new ATOM 0 HB3 TRP A 77 -7.271 0.938 6.923 1.00 0.35 H new ATOM 0 HD1 TRP A 77 -8.972 4.333 7.901 1.00 0.30 H new ATOM 0 HE1 TRP A 77 -9.893 5.435 5.738 1.00 0.31 H new ATOM 0 HE3 TRP A 77 -7.107 1.007 4.514 1.00 0.37 H new ATOM 0 HZ2 TRP A 77 -9.776 4.915 2.976 1.00 0.37 H new ATOM 0 HZ3 TRP A 77 -7.538 1.380 2.122 1.00 0.42 H new ATOM 0 HH2 TRP A 77 -8.854 3.311 1.364 1.00 0.42 H new ATOM 1181 N THR A 78 -8.281 -0.831 9.209 1.00 0.38 N ATOM 1182 CA THR A 78 -7.806 -2.114 9.697 1.00 0.40 C ATOM 1183 C THR A 78 -6.584 -2.547 8.891 1.00 0.36 C ATOM 1184 O THR A 78 -6.675 -2.793 7.684 1.00 0.37 O ATOM 1185 CB THR A 78 -8.912 -3.183 9.579 1.00 0.45 C ATOM 1186 OG1 THR A 78 -10.138 -2.683 10.138 1.00 0.51 O ATOM 1187 CG2 THR A 78 -8.513 -4.461 10.301 1.00 0.49 C ATOM 0 H THR A 78 -9.174 -0.874 8.718 1.00 0.38 H new ATOM 0 HA THR A 78 -7.534 -2.010 10.747 1.00 0.40 H new ATOM 0 HB THR A 78 -9.054 -3.409 8.522 1.00 0.45 H new ATOM 0 HG1 THR A 78 -10.421 -3.262 10.877 1.00 0.51 H new ATOM 0 HG21 THR A 78 -9.310 -5.198 10.203 1.00 0.49 H new ATOM 0 HG22 THR A 78 -7.597 -4.856 9.862 1.00 0.49 H new ATOM 0 HG23 THR A 78 -8.346 -4.246 11.356 1.00 0.49 H new ATOM 1195 N THR A 79 -5.439 -2.620 9.551 1.00 0.41 N ATOM 1196 CA THR A 79 -4.190 -2.867 8.859 1.00 0.40 C ATOM 1197 C THR A 79 -3.839 -4.352 8.816 1.00 0.38 C ATOM 1198 O THR A 79 -3.450 -4.960 9.818 1.00 0.50 O ATOM 1199 CB THR A 79 -3.021 -2.049 9.469 1.00 0.51 C ATOM 1200 OG1 THR A 79 -1.784 -2.378 8.823 1.00 0.53 O ATOM 1201 CG2 THR A 79 -2.886 -2.276 10.968 1.00 0.59 C ATOM 0 H THR A 79 -5.351 -2.512 10.561 1.00 0.41 H new ATOM 0 HA THR A 79 -4.338 -2.532 7.832 1.00 0.40 H new ATOM 0 HB THR A 79 -3.251 -0.996 9.305 1.00 0.51 H new ATOM 0 HG1 THR A 79 -1.747 -1.942 7.946 1.00 0.53 H new ATOM 0 HG21 THR A 79 -2.055 -1.684 11.352 1.00 0.59 H new ATOM 0 HG22 THR A 79 -3.808 -1.975 11.466 1.00 0.59 H new ATOM 0 HG23 THR A 79 -2.698 -3.332 11.161 1.00 0.59 H new ATOM 1209 N ASP A 80 -4.022 -4.933 7.645 1.00 0.33 N ATOM 1210 CA ASP A 80 -3.506 -6.261 7.346 1.00 0.32 C ATOM 1211 C ASP A 80 -2.309 -6.105 6.423 1.00 0.36 C ATOM 1212 O ASP A 80 -2.144 -5.056 5.804 1.00 0.40 O ATOM 1213 CB ASP A 80 -4.579 -7.144 6.689 1.00 0.34 C ATOM 1214 CG ASP A 80 -5.506 -7.788 7.701 1.00 1.08 C ATOM 1215 OD1 ASP A 80 -6.390 -7.094 8.242 1.00 1.65 O ATOM 1216 OD2 ASP A 80 -5.352 -9.003 7.958 1.00 1.70 O ATOM 0 H ASP A 80 -4.531 -4.501 6.874 1.00 0.33 H new ATOM 0 HA ASP A 80 -3.210 -6.753 8.273 1.00 0.32 H new ATOM 0 HB2 ASP A 80 -5.166 -6.541 5.997 1.00 0.34 H new ATOM 0 HB3 ASP A 80 -4.093 -7.922 6.101 1.00 0.34 H new ATOM 1221 N ASN A 81 -1.470 -7.122 6.331 1.00 0.44 N ATOM 1222 CA ASN A 81 -0.303 -7.045 5.463 1.00 0.57 C ATOM 1223 C ASN A 81 -0.652 -7.445 4.042 1.00 0.59 C ATOM 1224 O ASN A 81 0.217 -7.510 3.181 1.00 0.72 O ATOM 1225 CB ASN A 81 0.850 -7.908 5.982 1.00 0.68 C ATOM 1226 CG ASN A 81 1.728 -7.161 6.969 1.00 0.81 C ATOM 1227 OD1 ASN A 81 1.535 -7.238 8.182 1.00 1.39 O ATOM 1228 ND2 ASN A 81 2.692 -6.416 6.445 1.00 0.80 N ATOM 0 H ASN A 81 -1.570 -8.001 6.839 1.00 0.44 H new ATOM 0 HA ASN A 81 0.025 -6.006 5.465 1.00 0.57 H new ATOM 0 HB2 ASN A 81 0.446 -8.800 6.461 1.00 0.68 H new ATOM 0 HB3 ASN A 81 1.457 -8.244 5.141 1.00 0.68 H new ATOM 0 HD21 ASN A 81 3.309 -5.878 7.054 1.00 0.80 H new ATOM 0 HD22 ASN A 81 2.817 -6.381 5.433 1.00 0.80 H new ATOM 1235 N GLY A 82 -1.921 -7.716 3.800 1.00 0.55 N ATOM 1236 CA GLY A 82 -2.357 -8.034 2.458 1.00 0.65 C ATOM 1237 C GLY A 82 -3.313 -7.001 1.920 1.00 0.48 C ATOM 1238 O GLY A 82 -3.249 -6.619 0.751 1.00 0.57 O ATOM 0 H GLY A 82 -2.657 -7.722 4.506 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -1.490 -8.104 1.801 1.00 0.65 H new ATOM 0 HA3 GLY A 82 -2.839 -9.012 2.455 1.00 0.65 H new ATOM 1242 N VAL A 83 -4.200 -6.540 2.779 1.00 0.40 N ATOM 1243 CA VAL A 83 -5.163 -5.528 2.408 1.00 0.44 C ATOM 1244 C VAL A 83 -5.208 -4.447 3.462 1.00 0.36 C ATOM 1245 O VAL A 83 -4.852 -4.676 4.616 1.00 0.38 O ATOM 1246 CB VAL A 83 -6.580 -6.102 2.235 1.00 0.67 C ATOM 1247 CG1 VAL A 83 -6.633 -7.071 1.063 1.00 1.16 C ATOM 1248 CG2 VAL A 83 -7.042 -6.779 3.518 1.00 0.67 C ATOM 0 H VAL A 83 -4.272 -6.855 3.747 1.00 0.40 H new ATOM 0 HA VAL A 83 -4.839 -5.121 1.450 1.00 0.44 H new ATOM 0 HB VAL A 83 -7.259 -5.277 2.020 1.00 0.67 H new ATOM 0 HG11 VAL A 83 -7.645 -7.463 0.961 1.00 1.16 H new ATOM 0 HG12 VAL A 83 -6.352 -6.551 0.148 1.00 1.16 H new ATOM 0 HG13 VAL A 83 -5.941 -7.894 1.240 1.00 1.16 H new ATOM 0 HG21 VAL A 83 -8.046 -7.179 3.377 1.00 0.67 H new ATOM 0 HG22 VAL A 83 -6.359 -7.591 3.767 1.00 0.67 H new ATOM 0 HG23 VAL A 83 -7.052 -6.052 4.330 1.00 0.67 H new ATOM 1258 N PHE A 84 -5.650 -3.276 3.072 1.00 0.32 N ATOM 1259 CA PHE A 84 -5.736 -2.172 3.994 1.00 0.29 C ATOM 1260 C PHE A 84 -7.086 -1.520 3.815 1.00 0.29 C ATOM 1261 O PHE A 84 -7.274 -0.759 2.877 1.00 0.30 O ATOM 1262 CB PHE A 84 -4.605 -1.180 3.715 1.00 0.33 C ATOM 1263 CG PHE A 84 -3.987 -0.588 4.949 1.00 0.30 C ATOM 1264 CD1 PHE A 84 -4.668 0.349 5.709 1.00 0.32 C ATOM 1265 CD2 PHE A 84 -2.716 -0.969 5.343 1.00 0.33 C ATOM 1266 CE1 PHE A 84 -4.089 0.894 6.839 1.00 0.36 C ATOM 1267 CE2 PHE A 84 -2.134 -0.427 6.470 1.00 0.35 C ATOM 1268 CZ PHE A 84 -2.821 0.505 7.220 1.00 0.36 C ATOM 0 H PHE A 84 -5.955 -3.064 2.122 1.00 0.32 H new ATOM 0 HA PHE A 84 -5.632 -2.516 5.023 1.00 0.29 H new ATOM 0 HB2 PHE A 84 -3.829 -1.684 3.139 1.00 0.33 H new ATOM 0 HB3 PHE A 84 -4.990 -0.373 3.092 1.00 0.33 H new ATOM 0 HD1 PHE A 84 -5.661 0.656 5.415 1.00 0.32 H new ATOM 0 HD2 PHE A 84 -2.173 -1.699 4.761 1.00 0.33 H new ATOM 0 HE1 PHE A 84 -4.629 1.624 7.424 1.00 0.36 H new ATOM 0 HE2 PHE A 84 -1.141 -0.732 6.765 1.00 0.35 H new ATOM 0 HZ PHE A 84 -2.367 0.929 8.104 1.00 0.36 H new ATOM 1278 N TYR A 85 -8.039 -1.870 4.668 1.00 0.32 N ATOM 1279 CA TYR A 85 -9.404 -1.378 4.529 1.00 0.34 C ATOM 1280 C TYR A 85 -9.867 -0.722 5.805 1.00 0.34 C ATOM 1281 O TYR A 85 -9.537 -1.172 6.897 1.00 0.35 O ATOM 1282 CB TYR A 85 -10.393 -2.499 4.145 1.00 0.38 C ATOM 1283 CG TYR A 85 -10.447 -3.673 5.102 1.00 0.40 C ATOM 1284 CD1 TYR A 85 -9.321 -4.443 5.369 1.00 0.42 C ATOM 1285 CD2 TYR A 85 -11.638 -4.019 5.725 1.00 0.45 C ATOM 1286 CE1 TYR A 85 -9.382 -5.524 6.231 1.00 0.48 C ATOM 1287 CE2 TYR A 85 -11.710 -5.102 6.584 1.00 0.51 C ATOM 1288 CZ TYR A 85 -10.579 -5.852 6.833 1.00 0.53 C ATOM 1289 OH TYR A 85 -10.650 -6.941 7.676 1.00 0.59 O ATOM 0 H TYR A 85 -7.893 -2.492 5.463 1.00 0.32 H new ATOM 0 HA TYR A 85 -9.391 -0.646 3.722 1.00 0.34 H new ATOM 0 HB2 TYR A 85 -11.391 -2.069 4.068 1.00 0.38 H new ATOM 0 HB3 TYR A 85 -10.128 -2.871 3.155 1.00 0.38 H new ATOM 0 HD1 TYR A 85 -8.383 -4.194 4.896 1.00 0.42 H new ATOM 0 HD2 TYR A 85 -12.525 -3.432 5.536 1.00 0.45 H new ATOM 0 HE1 TYR A 85 -8.496 -6.108 6.432 1.00 0.48 H new ATOM 0 HE2 TYR A 85 -12.646 -5.359 7.057 1.00 0.51 H new ATOM 0 HH TYR A 85 -11.080 -6.677 8.516 1.00 0.59 H new ATOM 1299 N LYS A 86 -10.619 0.351 5.667 1.00 0.36 N ATOM 1300 CA LYS A 86 -11.226 0.985 6.814 1.00 0.37 C ATOM 1301 C LYS A 86 -12.360 0.119 7.325 1.00 0.39 C ATOM 1302 O LYS A 86 -13.071 -0.507 6.539 1.00 0.42 O ATOM 1303 CB LYS A 86 -11.748 2.380 6.465 1.00 0.42 C ATOM 1304 CG LYS A 86 -12.725 2.412 5.298 1.00 0.57 C ATOM 1305 CD LYS A 86 -13.477 3.731 5.256 1.00 0.87 C ATOM 1306 CE LYS A 86 -14.469 3.787 4.105 1.00 0.61 C ATOM 1307 NZ LYS A 86 -13.797 4.042 2.810 1.00 1.39 N ATOM 0 H LYS A 86 -10.823 0.799 4.774 1.00 0.36 H new ATOM 0 HA LYS A 86 -10.468 1.096 7.590 1.00 0.37 H new ATOM 0 HB2 LYS A 86 -12.236 2.802 7.343 1.00 0.42 H new ATOM 0 HB3 LYS A 86 -10.900 3.024 6.231 1.00 0.42 H new ATOM 0 HG2 LYS A 86 -12.185 2.267 4.362 1.00 0.57 H new ATOM 0 HG3 LYS A 86 -13.433 1.588 5.389 1.00 0.57 H new ATOM 0 HD2 LYS A 86 -14.006 3.876 6.198 1.00 0.87 H new ATOM 0 HD3 LYS A 86 -12.765 4.551 5.161 1.00 0.87 H new ATOM 0 HE2 LYS A 86 -15.016 2.846 4.051 1.00 0.61 H new ATOM 0 HE3 LYS A 86 -15.202 4.571 4.295 1.00 0.61 H new ATOM 0 HZ1 LYS A 86 -14.423 4.603 2.198 1.00 1.39 H new ATOM 0 HZ2 LYS A 86 -12.914 4.566 2.974 1.00 1.39 H new ATOM 0 HZ3 LYS A 86 -13.582 3.136 2.346 1.00 1.39 H new ATOM 1321 N ASN A 87 -12.534 0.088 8.635 1.00 0.45 N ATOM 1322 CA ASN A 87 -13.632 -0.655 9.243 1.00 0.51 C ATOM 1323 C ASN A 87 -14.911 0.173 9.131 1.00 0.55 C ATOM 1324 O ASN A 87 -15.706 0.275 10.065 1.00 0.83 O ATOM 1325 CB ASN A 87 -13.302 -0.963 10.709 1.00 0.61 C ATOM 1326 CG ASN A 87 -13.979 -2.228 11.202 1.00 1.35 C ATOM 1327 OD1 ASN A 87 -15.081 -2.191 11.749 1.00 2.00 O ATOM 1328 ND2 ASN A 87 -13.314 -3.359 11.017 1.00 2.12 N ATOM 0 H ASN A 87 -11.930 0.568 9.302 1.00 0.45 H new ATOM 0 HA ASN A 87 -13.778 -1.603 8.724 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -12.223 -1.065 10.822 1.00 0.61 H new ATOM 0 HB3 ASN A 87 -13.610 -0.123 11.332 1.00 0.61 H new ATOM 0 HD21 ASN A 87 -13.713 -4.243 11.333 1.00 2.12 H new ATOM 0 HD22 ASN A 87 -12.403 -3.346 10.559 1.00 2.12 H new ATOM 1335 N ASP A 88 -15.096 0.745 7.950 1.00 0.51 N ATOM 1336 CA ASP A 88 -16.150 1.704 7.684 1.00 0.54 C ATOM 1337 C ASP A 88 -16.581 1.590 6.235 1.00 0.46 C ATOM 1338 O ASP A 88 -15.801 1.166 5.381 1.00 0.53 O ATOM 1339 CB ASP A 88 -15.643 3.122 7.970 1.00 0.62 C ATOM 1340 CG ASP A 88 -16.612 4.205 7.543 1.00 1.32 C ATOM 1341 OD1 ASP A 88 -17.576 4.472 8.287 1.00 1.62 O ATOM 1342 OD2 ASP A 88 -16.395 4.814 6.472 1.00 2.10 O ATOM 0 H ASP A 88 -14.508 0.551 7.140 1.00 0.51 H new ATOM 0 HA ASP A 88 -17.003 1.496 8.330 1.00 0.54 H new ATOM 0 HB2 ASP A 88 -15.446 3.221 9.038 1.00 0.62 H new ATOM 0 HB3 ASP A 88 -14.694 3.271 7.456 1.00 0.62 H new ATOM 1347 N VAL A 89 -17.809 1.972 5.953 1.00 0.54 N ATOM 1348 CA VAL A 89 -18.326 1.902 4.599 1.00 0.51 C ATOM 1349 C VAL A 89 -18.636 3.299 4.071 1.00 0.51 C ATOM 1350 O VAL A 89 -19.367 4.067 4.696 1.00 0.77 O ATOM 1351 CB VAL A 89 -19.576 0.993 4.502 1.00 0.61 C ATOM 1352 CG1 VAL A 89 -19.217 -0.438 4.865 1.00 1.05 C ATOM 1353 CG2 VAL A 89 -20.700 1.494 5.397 1.00 0.93 C ATOM 0 H VAL A 89 -18.469 2.334 6.641 1.00 0.54 H new ATOM 0 HA VAL A 89 -17.550 1.455 3.977 1.00 0.51 H new ATOM 0 HB VAL A 89 -19.929 1.023 3.471 1.00 0.61 H new ATOM 0 HG11 VAL A 89 -20.105 -1.066 4.792 1.00 1.05 H new ATOM 0 HG12 VAL A 89 -18.455 -0.807 4.179 1.00 1.05 H new ATOM 0 HG13 VAL A 89 -18.833 -0.469 5.885 1.00 1.05 H new ATOM 0 HG21 VAL A 89 -21.561 0.833 5.304 1.00 0.93 H new ATOM 0 HG22 VAL A 89 -20.362 1.506 6.433 1.00 0.93 H new ATOM 0 HG23 VAL A 89 -20.983 2.503 5.096 1.00 0.93 H new ATOM 1363 N GLY A 90 -18.046 3.638 2.935 1.00 0.46 N ATOM 1364 CA GLY A 90 -18.276 4.944 2.347 1.00 0.46 C ATOM 1365 C GLY A 90 -17.100 5.421 1.521 1.00 0.39 C ATOM 1366 O GLY A 90 -16.050 4.765 1.476 1.00 0.43 O ATOM 0 H GLY A 90 -17.413 3.035 2.410 1.00 0.46 H new ATOM 0 HA2 GLY A 90 -19.166 4.905 1.719 1.00 0.46 H new ATOM 0 HA3 GLY A 90 -18.477 5.666 3.139 1.00 0.46 H new ATOM 1370 N SER A 91 -17.273 6.557 0.868 1.00 0.44 N ATOM 1371 CA SER A 91 -16.228 7.149 0.052 1.00 0.50 C ATOM 1372 C SER A 91 -15.162 7.775 0.944 1.00 0.48 C ATOM 1373 O SER A 91 -15.469 8.610 1.794 1.00 0.77 O ATOM 1374 CB SER A 91 -16.840 8.188 -0.890 1.00 0.69 C ATOM 1375 OG SER A 91 -17.827 8.961 -0.220 1.00 1.17 O ATOM 0 H SER A 91 -18.140 7.094 0.888 1.00 0.44 H new ATOM 0 HA SER A 91 -15.751 6.376 -0.551 1.00 0.50 H new ATOM 0 HB2 SER A 91 -16.058 8.843 -1.273 1.00 0.69 H new ATOM 0 HB3 SER A 91 -17.286 7.688 -1.750 1.00 0.69 H new ATOM 0 HG SER A 91 -17.509 9.190 0.678 1.00 1.17 H new ATOM 1381 N TRP A 92 -13.915 7.362 0.767 1.00 0.50 N ATOM 1382 CA TRP A 92 -12.846 7.819 1.643 1.00 0.45 C ATOM 1383 C TRP A 92 -12.023 8.931 0.996 1.00 0.44 C ATOM 1384 O TRP A 92 -11.735 9.936 1.645 1.00 0.49 O ATOM 1385 CB TRP A 92 -11.951 6.653 2.058 1.00 0.47 C ATOM 1386 CG TRP A 92 -11.089 7.011 3.221 1.00 0.44 C ATOM 1387 CD1 TRP A 92 -11.492 7.192 4.512 1.00 0.47 C ATOM 1388 CD2 TRP A 92 -9.689 7.258 3.198 1.00 0.43 C ATOM 1389 NE1 TRP A 92 -10.421 7.546 5.291 1.00 0.49 N ATOM 1390 CE2 TRP A 92 -9.299 7.591 4.506 1.00 0.47 C ATOM 1391 CE3 TRP A 92 -8.725 7.228 2.198 1.00 0.45 C ATOM 1392 CZ2 TRP A 92 -7.985 7.896 4.829 1.00 0.51 C ATOM 1393 CZ3 TRP A 92 -7.427 7.536 2.516 1.00 0.48 C ATOM 1394 CH2 TRP A 92 -7.063 7.866 3.822 1.00 0.51 C ATOM 0 H TRP A 92 -13.621 6.718 0.033 1.00 0.50 H new ATOM 0 HA TRP A 92 -13.310 8.234 2.538 1.00 0.45 H new ATOM 0 HB2 TRP A 92 -12.569 5.792 2.313 1.00 0.47 H new ATOM 0 HB3 TRP A 92 -11.324 6.357 1.217 1.00 0.47 H new ATOM 0 HD1 TRP A 92 -12.505 7.074 4.868 1.00 0.47 H new ATOM 0 HE1 TRP A 92 -10.454 7.744 6.291 1.00 0.49 H new ATOM 0 HE3 TRP A 92 -8.994 6.966 1.185 1.00 0.45 H new ATOM 0 HZ2 TRP A 92 -7.701 8.148 5.840 1.00 0.51 H new ATOM 0 HZ3 TRP A 92 -6.674 7.523 1.742 1.00 0.48 H new ATOM 0 HH2 TRP A 92 -6.032 8.102 4.041 1.00 0.51 H new ATOM 1405 N GLY A 93 -11.684 8.768 -0.285 1.00 0.47 N ATOM 1406 CA GLY A 93 -10.782 9.711 -0.946 1.00 0.49 C ATOM 1407 C GLY A 93 -9.519 9.912 -0.135 1.00 0.57 C ATOM 1408 O GLY A 93 -8.812 8.961 0.125 1.00 1.25 O ATOM 0 H GLY A 93 -12.014 8.005 -0.876 1.00 0.47 H new ATOM 0 HA2 GLY A 93 -10.526 9.340 -1.939 1.00 0.49 H new ATOM 0 HA3 GLY A 93 -11.287 10.667 -1.083 1.00 0.49 H new ATOM 1412 N GLY A 94 -9.229 11.143 0.247 1.00 0.53 N ATOM 1413 CA GLY A 94 -8.209 11.392 1.251 1.00 0.50 C ATOM 1414 C GLY A 94 -6.793 11.182 0.753 1.00 0.50 C ATOM 1415 O GLY A 94 -6.475 11.478 -0.400 1.00 0.72 O ATOM 0 H GLY A 94 -9.681 11.981 -0.119 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -8.309 12.416 1.610 1.00 0.50 H new ATOM 0 HA3 GLY A 94 -8.385 10.736 2.104 1.00 0.50 H new ATOM 1419 N THR A 95 -5.942 10.682 1.641 1.00 0.46 N ATOM 1420 CA THR A 95 -4.541 10.437 1.334 1.00 0.45 C ATOM 1421 C THR A 95 -3.989 9.296 2.193 1.00 0.40 C ATOM 1422 O THR A 95 -4.240 9.238 3.395 1.00 0.45 O ATOM 1423 CB THR A 95 -3.691 11.706 1.568 1.00 0.53 C ATOM 1424 OG1 THR A 95 -4.266 12.493 2.622 1.00 0.60 O ATOM 1425 CG2 THR A 95 -3.580 12.542 0.298 1.00 0.60 C ATOM 0 H THR A 95 -6.206 10.435 2.595 1.00 0.46 H new ATOM 0 HA THR A 95 -4.481 10.158 0.282 1.00 0.45 H new ATOM 0 HB THR A 95 -2.687 11.391 1.854 1.00 0.53 H new ATOM 0 HG1 THR A 95 -3.721 13.295 2.766 1.00 0.60 H new ATOM 0 HG21 THR A 95 -2.976 13.427 0.497 1.00 0.60 H new ATOM 0 HG22 THR A 95 -3.109 11.950 -0.487 1.00 0.60 H new ATOM 0 HG23 THR A 95 -4.575 12.847 -0.025 1.00 0.60 H new ATOM 1433 N ILE A 96 -3.268 8.377 1.565 1.00 0.38 N ATOM 1434 CA ILE A 96 -2.587 7.304 2.284 1.00 0.39 C ATOM 1435 C ILE A 96 -1.108 7.312 1.931 1.00 0.40 C ATOM 1436 O ILE A 96 -0.731 7.753 0.845 1.00 0.54 O ATOM 1437 CB ILE A 96 -3.202 5.901 2.004 1.00 0.49 C ATOM 1438 CG1 ILE A 96 -3.558 5.709 0.526 1.00 0.85 C ATOM 1439 CG2 ILE A 96 -4.432 5.669 2.866 1.00 0.93 C ATOM 1440 CD1 ILE A 96 -2.393 5.332 -0.357 1.00 1.63 C ATOM 0 H ILE A 96 -3.138 8.352 0.554 1.00 0.38 H new ATOM 0 HA ILE A 96 -2.718 7.493 3.349 1.00 0.39 H new ATOM 0 HB ILE A 96 -2.439 5.166 2.261 1.00 0.49 H new ATOM 0 HG12 ILE A 96 -4.322 4.935 0.447 1.00 0.85 H new ATOM 0 HG13 ILE A 96 -3.999 6.632 0.149 1.00 0.85 H new ATOM 0 HG21 ILE A 96 -4.845 4.683 2.653 1.00 0.93 H new ATOM 0 HG22 ILE A 96 -4.155 5.727 3.919 1.00 0.93 H new ATOM 0 HG23 ILE A 96 -5.180 6.431 2.645 1.00 0.93 H new ATOM 0 HD11 ILE A 96 -2.738 5.217 -1.385 1.00 1.63 H new ATOM 0 HD12 ILE A 96 -1.635 6.115 -0.314 1.00 1.63 H new ATOM 0 HD13 ILE A 96 -1.964 4.392 -0.011 1.00 1.63 H new ATOM 1452 N GLY A 97 -0.272 6.855 2.845 1.00 0.39 N ATOM 1453 CA GLY A 97 1.154 6.887 2.612 1.00 0.45 C ATOM 1454 C GLY A 97 1.827 5.581 2.959 1.00 0.39 C ATOM 1455 O GLY A 97 1.227 4.714 3.593 1.00 0.37 O ATOM 0 H GLY A 97 -0.554 6.463 3.743 1.00 0.39 H new ATOM 0 HA2 GLY A 97 1.342 7.122 1.564 1.00 0.45 H new ATOM 0 HA3 GLY A 97 1.597 7.688 3.203 1.00 0.45 H new ATOM 1459 N ILE A 98 3.074 5.440 2.545 1.00 0.38 N ATOM 1460 CA ILE A 98 3.843 4.242 2.831 1.00 0.36 C ATOM 1461 C ILE A 98 4.615 4.409 4.137 1.00 0.38 C ATOM 1462 O ILE A 98 5.507 5.250 4.237 1.00 0.42 O ATOM 1463 CB ILE A 98 4.832 3.910 1.680 1.00 0.41 C ATOM 1464 CG1 ILE A 98 4.089 3.457 0.411 1.00 0.50 C ATOM 1465 CG2 ILE A 98 5.821 2.837 2.112 1.00 0.45 C ATOM 1466 CD1 ILE A 98 3.371 4.567 -0.329 1.00 0.83 C ATOM 0 H ILE A 98 3.578 6.145 2.007 1.00 0.38 H new ATOM 0 HA ILE A 98 3.140 3.415 2.925 1.00 0.36 H new ATOM 0 HB ILE A 98 5.378 4.824 1.447 1.00 0.41 H new ATOM 0 HG12 ILE A 98 4.804 2.990 -0.266 1.00 0.50 H new ATOM 0 HG13 ILE A 98 3.363 2.692 0.685 1.00 0.50 H new ATOM 0 HG21 ILE A 98 6.504 2.620 1.291 1.00 0.45 H new ATOM 0 HG22 ILE A 98 6.389 3.191 2.972 1.00 0.45 H new ATOM 0 HG23 ILE A 98 5.279 1.931 2.383 1.00 0.45 H new ATOM 0 HD11 ILE A 98 2.876 4.157 -1.209 1.00 0.83 H new ATOM 0 HD12 ILE A 98 2.628 5.020 0.327 1.00 0.83 H new ATOM 0 HD13 ILE A 98 4.092 5.324 -0.638 1.00 0.83 H new ATOM 1478 N TYR A 99 4.239 3.628 5.140 1.00 0.42 N ATOM 1479 CA TYR A 99 4.940 3.608 6.412 1.00 0.53 C ATOM 1480 C TYR A 99 5.593 2.241 6.594 1.00 0.44 C ATOM 1481 O TYR A 99 4.909 1.219 6.525 1.00 0.50 O ATOM 1482 CB TYR A 99 3.970 3.855 7.576 1.00 0.73 C ATOM 1483 CG TYR A 99 3.104 5.101 7.474 1.00 0.55 C ATOM 1484 CD1 TYR A 99 2.183 5.241 6.447 1.00 0.74 C ATOM 1485 CD2 TYR A 99 3.235 6.152 8.371 1.00 0.88 C ATOM 1486 CE1 TYR A 99 1.416 6.382 6.320 1.00 0.82 C ATOM 1487 CE2 TYR A 99 2.473 7.298 8.248 1.00 1.11 C ATOM 1488 CZ TYR A 99 1.470 7.352 7.348 1.00 0.92 C ATOM 1489 OH TYR A 99 0.811 8.550 7.095 1.00 1.28 O ATOM 0 H TYR A 99 3.442 2.993 5.093 1.00 0.42 H new ATOM 0 HA TYR A 99 5.692 4.398 6.410 1.00 0.53 H new ATOM 0 HB2 TYR A 99 3.315 2.989 7.666 1.00 0.73 H new ATOM 0 HB3 TYR A 99 4.549 3.914 8.498 1.00 0.73 H new ATOM 0 HD1 TYR A 99 2.063 4.441 5.732 1.00 0.74 H new ATOM 0 HD2 TYR A 99 3.946 6.073 9.180 1.00 0.88 H new ATOM 0 HE1 TYR A 99 0.788 6.531 5.454 1.00 0.82 H new ATOM 0 HE2 TYR A 99 2.681 8.153 8.874 1.00 1.11 H new ATOM 0 HH TYR A 99 0.910 9.147 7.866 1.00 1.28 H new ATOM 1499 N VAL A 100 6.902 2.221 6.812 1.00 0.44 N ATOM 1500 CA VAL A 100 7.633 0.970 7.025 1.00 0.40 C ATOM 1501 C VAL A 100 7.021 0.175 8.185 1.00 0.42 C ATOM 1502 O VAL A 100 6.614 0.752 9.197 1.00 0.56 O ATOM 1503 CB VAL A 100 9.127 1.238 7.316 1.00 0.50 C ATOM 1504 CG1 VAL A 100 9.301 2.054 8.579 1.00 1.14 C ATOM 1505 CG2 VAL A 100 9.900 -0.063 7.422 1.00 0.78 C ATOM 0 H VAL A 100 7.484 3.058 6.847 1.00 0.44 H new ATOM 0 HA VAL A 100 7.554 0.386 6.108 1.00 0.40 H new ATOM 0 HB VAL A 100 9.526 1.812 6.480 1.00 0.50 H new ATOM 0 HG11 VAL A 100 10.362 2.226 8.757 1.00 1.14 H new ATOM 0 HG12 VAL A 100 8.792 3.011 8.467 1.00 1.14 H new ATOM 0 HG13 VAL A 100 8.874 1.513 9.423 1.00 1.14 H new ATOM 0 HG21 VAL A 100 10.949 0.152 7.627 1.00 0.78 H new ATOM 0 HG22 VAL A 100 9.488 -0.666 8.231 1.00 0.78 H new ATOM 0 HG23 VAL A 100 9.819 -0.612 6.484 1.00 0.78 H new ATOM 1515 N ASP A 101 6.919 -1.137 8.029 1.00 0.40 N ATOM 1516 CA ASP A 101 6.477 -1.992 9.124 1.00 0.50 C ATOM 1517 C ASP A 101 7.683 -2.368 9.970 1.00 0.59 C ATOM 1518 O ASP A 101 8.287 -3.426 9.782 1.00 0.77 O ATOM 1519 CB ASP A 101 5.770 -3.247 8.593 1.00 0.67 C ATOM 1520 CG ASP A 101 5.191 -4.115 9.697 1.00 0.83 C ATOM 1521 OD1 ASP A 101 4.138 -3.747 10.266 1.00 0.93 O ATOM 1522 OD2 ASP A 101 5.795 -5.164 10.014 1.00 1.02 O ATOM 0 H ASP A 101 7.134 -1.631 7.163 1.00 0.40 H new ATOM 0 HA ASP A 101 5.756 -1.450 9.736 1.00 0.50 H new ATOM 0 HB2 ASP A 101 4.969 -2.947 7.917 1.00 0.67 H new ATOM 0 HB3 ASP A 101 6.477 -3.836 8.009 1.00 0.67 H new ATOM 1527 N GLY A 102 8.053 -1.471 10.877 1.00 0.61 N ATOM 1528 CA GLY A 102 9.278 -1.637 11.630 1.00 0.81 C ATOM 1529 C GLY A 102 10.480 -1.167 10.835 1.00 0.85 C ATOM 1530 O GLY A 102 10.945 -1.875 9.941 1.00 1.53 O ATOM 0 H GLY A 102 7.523 -0.629 11.103 1.00 0.61 H new ATOM 0 HA2 GLY A 102 9.214 -1.076 12.562 1.00 0.81 H new ATOM 0 HA3 GLY A 102 9.404 -2.686 11.898 1.00 0.81 H new ATOM 1534 N GLN A 103 10.958 0.046 11.139 1.00 0.64 N ATOM 1535 CA GLN A 103 12.101 0.641 10.445 1.00 0.60 C ATOM 1536 C GLN A 103 13.227 -0.374 10.226 1.00 0.61 C ATOM 1537 O GLN A 103 13.765 -0.954 11.171 1.00 0.65 O ATOM 1538 CB GLN A 103 12.631 1.866 11.215 1.00 0.71 C ATOM 1539 CG GLN A 103 13.197 1.554 12.599 1.00 1.01 C ATOM 1540 CD GLN A 103 12.132 1.263 13.646 1.00 1.35 C ATOM 1541 OE1 GLN A 103 12.337 0.450 14.544 1.00 1.78 O ATOM 1542 NE2 GLN A 103 10.998 1.940 13.554 1.00 2.11 N ATOM 0 H GLN A 103 10.564 0.638 11.870 1.00 0.64 H new ATOM 0 HA GLN A 103 11.749 0.964 9.465 1.00 0.60 H new ATOM 0 HB2 GLN A 103 13.408 2.344 10.619 1.00 0.71 H new ATOM 0 HB3 GLN A 103 11.822 2.588 11.323 1.00 0.71 H new ATOM 0 HG2 GLN A 103 13.864 0.695 12.524 1.00 1.01 H new ATOM 0 HG3 GLN A 103 13.801 2.398 12.933 1.00 1.01 H new ATOM 0 HE21 GLN A 103 10.863 2.607 12.795 1.00 2.11 H new ATOM 0 HE22 GLN A 103 10.260 1.794 14.243 1.00 2.11 H new ATOM 1551 N GLN A 104 13.567 -0.597 8.961 1.00 0.73 N ATOM 1552 CA GLN A 104 14.633 -1.523 8.609 1.00 0.94 C ATOM 1553 C GLN A 104 16.008 -0.897 8.881 1.00 1.02 C ATOM 1554 O GLN A 104 17.037 -1.539 8.703 1.00 1.28 O ATOM 1555 CB GLN A 104 14.489 -1.936 7.141 1.00 1.12 C ATOM 1556 CG GLN A 104 15.378 -3.099 6.730 1.00 1.96 C ATOM 1557 CD GLN A 104 15.134 -4.338 7.569 1.00 1.98 C ATOM 1558 OE1 GLN A 104 14.286 -5.167 7.242 1.00 2.02 O ATOM 1559 NE2 GLN A 104 15.890 -4.480 8.646 1.00 2.62 N ATOM 0 H GLN A 104 13.118 -0.148 8.163 1.00 0.73 H new ATOM 0 HA GLN A 104 14.553 -2.415 9.230 1.00 0.94 H new ATOM 0 HB2 GLN A 104 13.450 -2.203 6.951 1.00 1.12 H new ATOM 0 HB3 GLN A 104 14.718 -1.078 6.510 1.00 1.12 H new ATOM 0 HG2 GLN A 104 15.202 -3.334 5.680 1.00 1.96 H new ATOM 0 HG3 GLN A 104 16.423 -2.803 6.819 1.00 1.96 H new ATOM 0 HE21 GLN A 104 16.582 -3.768 8.881 1.00 2.62 H new ATOM 0 HE22 GLN A 104 15.781 -5.301 9.241 1.00 2.62 H new ATOM 1568 N THR A 105 16.001 0.366 9.314 1.00 1.14 N ATOM 1569 CA THR A 105 17.223 1.076 9.710 1.00 1.42 C ATOM 1570 C THR A 105 18.150 1.312 8.508 1.00 1.11 C ATOM 1571 O THR A 105 19.358 1.492 8.657 1.00 1.04 O ATOM 1572 CB THR A 105 17.973 0.305 10.823 1.00 1.90 C ATOM 1573 OG1 THR A 105 17.031 -0.202 11.784 1.00 2.27 O ATOM 1574 CG2 THR A 105 18.963 1.210 11.542 1.00 2.43 C ATOM 0 H THR A 105 15.152 0.925 9.400 1.00 1.14 H new ATOM 0 HA THR A 105 16.923 2.048 10.101 1.00 1.42 H new ATOM 0 HB THR A 105 18.516 -0.516 10.355 1.00 1.90 H new ATOM 0 HG1 THR A 105 17.510 -0.691 12.485 1.00 2.27 H new ATOM 0 HG21 THR A 105 19.476 0.643 12.319 1.00 2.43 H new ATOM 0 HG22 THR A 105 19.693 1.590 10.828 1.00 2.43 H new ATOM 0 HG23 THR A 105 18.429 2.046 11.995 1.00 2.43 H new ATOM 1582 N ASN A 106 17.557 1.341 7.317 1.00 1.04 N ATOM 1583 CA ASN A 106 18.295 1.580 6.079 1.00 0.88 C ATOM 1584 C ASN A 106 19.358 0.506 5.843 1.00 0.81 C ATOM 1585 O ASN A 106 20.557 0.734 6.005 1.00 0.79 O ATOM 1586 CB ASN A 106 18.909 2.992 6.070 1.00 0.97 C ATOM 1587 CG ASN A 106 19.774 3.283 4.849 1.00 0.86 C ATOM 1588 OD1 ASN A 106 20.721 4.063 4.923 1.00 1.56 O ATOM 1589 ND2 ASN A 106 19.459 2.671 3.717 1.00 0.80 N ATOM 0 H ASN A 106 16.556 1.200 7.183 1.00 1.04 H new ATOM 0 HA ASN A 106 17.587 1.518 5.252 1.00 0.88 H new ATOM 0 HB2 ASN A 106 18.105 3.727 6.117 1.00 0.97 H new ATOM 0 HB3 ASN A 106 19.512 3.121 6.969 1.00 0.97 H new ATOM 0 HD21 ASN A 106 20.009 2.842 2.875 1.00 0.80 H new ATOM 0 HD22 ASN A 106 18.667 2.029 3.688 1.00 0.80 H new ATOM 1596 N THR A 107 18.887 -0.680 5.512 1.00 0.86 N ATOM 1597 CA THR A 107 19.745 -1.741 5.028 1.00 0.89 C ATOM 1598 C THR A 107 19.981 -1.530 3.537 1.00 0.80 C ATOM 1599 O THR A 107 19.048 -1.122 2.841 1.00 0.86 O ATOM 1600 CB THR A 107 19.078 -3.108 5.279 1.00 1.13 C ATOM 1601 OG1 THR A 107 18.452 -3.092 6.566 1.00 1.68 O ATOM 1602 CG2 THR A 107 20.086 -4.243 5.233 1.00 1.53 C ATOM 0 H THR A 107 17.901 -0.934 5.571 1.00 0.86 H new ATOM 0 HA THR A 107 20.699 -1.724 5.555 1.00 0.89 H new ATOM 0 HB THR A 107 18.343 -3.276 4.492 1.00 1.13 H new ATOM 0 HG1 THR A 107 18.164 -3.999 6.801 1.00 1.68 H new ATOM 0 HG21 THR A 107 19.577 -5.189 5.415 1.00 1.53 H new ATOM 0 HG22 THR A 107 20.561 -4.269 4.252 1.00 1.53 H new ATOM 0 HG23 THR A 107 20.845 -4.087 5.999 1.00 1.53 H new ATOM 1610 N PRO A 108 21.232 -1.760 3.059 1.00 0.82 N ATOM 1611 CA PRO A 108 21.671 -1.533 1.677 1.00 0.84 C ATOM 1612 C PRO A 108 20.551 -1.581 0.639 1.00 0.76 C ATOM 1613 O PRO A 108 20.163 -2.653 0.162 1.00 0.91 O ATOM 1614 CB PRO A 108 22.664 -2.673 1.460 1.00 1.07 C ATOM 1615 CG PRO A 108 23.185 -3.024 2.825 1.00 1.26 C ATOM 1616 CD PRO A 108 22.356 -2.272 3.844 1.00 0.99 C ATOM 0 HA PRO A 108 22.081 -0.531 1.548 1.00 0.84 H new ATOM 0 HB2 PRO A 108 22.179 -3.531 0.993 1.00 1.07 H new ATOM 0 HB3 PRO A 108 23.474 -2.366 0.799 1.00 1.07 H new ATOM 0 HG2 PRO A 108 23.117 -4.098 2.995 1.00 1.26 H new ATOM 0 HG3 PRO A 108 24.237 -2.753 2.914 1.00 1.26 H new ATOM 0 HD2 PRO A 108 22.019 -2.926 4.648 1.00 0.99 H new ATOM 0 HD3 PRO A 108 22.924 -1.464 4.306 1.00 0.99 H new ATOM 1624 N PRO A 109 19.998 -0.405 0.313 1.00 0.61 N ATOM 1625 CA PRO A 109 18.899 -0.279 -0.621 1.00 0.56 C ATOM 1626 C PRO A 109 19.347 -0.146 -2.076 1.00 0.57 C ATOM 1627 O PRO A 109 20.532 -0.255 -2.400 1.00 0.76 O ATOM 1628 CB PRO A 109 18.192 0.992 -0.144 1.00 0.59 C ATOM 1629 CG PRO A 109 19.237 1.809 0.545 1.00 0.64 C ATOM 1630 CD PRO A 109 20.389 0.892 0.879 1.00 0.63 C ATOM 0 HA PRO A 109 18.267 -1.167 -0.626 1.00 0.56 H new ATOM 0 HB2 PRO A 109 17.761 1.537 -0.983 1.00 0.59 H new ATOM 0 HB3 PRO A 109 17.373 0.752 0.535 1.00 0.59 H new ATOM 0 HG2 PRO A 109 19.571 2.624 -0.097 1.00 0.64 H new ATOM 0 HG3 PRO A 109 18.833 2.262 1.451 1.00 0.64 H new ATOM 0 HD2 PRO A 109 21.322 1.251 0.444 1.00 0.63 H new ATOM 0 HD3 PRO A 109 20.545 0.825 1.956 1.00 0.63 H new ATOM 1638 N GLY A 110 18.373 0.077 -2.943 1.00 0.49 N ATOM 1639 CA GLY A 110 18.616 0.186 -4.363 1.00 0.58 C ATOM 1640 C GLY A 110 17.375 0.668 -5.068 1.00 0.54 C ATOM 1641 O GLY A 110 16.860 1.744 -4.757 1.00 0.76 O ATOM 0 H GLY A 110 17.394 0.187 -2.678 1.00 0.49 H new ATOM 0 HA2 GLY A 110 19.439 0.877 -4.546 1.00 0.58 H new ATOM 0 HA3 GLY A 110 18.917 -0.782 -4.763 1.00 0.58 H new ATOM 1645 N ASN A 111 16.887 -0.124 -6.002 1.00 0.45 N ATOM 1646 CA ASN A 111 15.599 0.148 -6.618 1.00 0.44 C ATOM 1647 C ASN A 111 14.543 -0.728 -5.970 1.00 0.42 C ATOM 1648 O ASN A 111 14.551 -1.948 -6.140 1.00 0.58 O ATOM 1649 CB ASN A 111 15.629 -0.123 -8.124 1.00 0.56 C ATOM 1650 CG ASN A 111 14.371 0.360 -8.825 1.00 1.10 C ATOM 1651 OD1 ASN A 111 13.368 -0.352 -8.901 1.00 2.04 O ATOM 1652 ND2 ASN A 111 14.426 1.568 -9.363 1.00 1.41 N ATOM 0 H ASN A 111 17.359 -0.958 -6.351 1.00 0.45 H new ATOM 0 HA ASN A 111 15.364 1.202 -6.469 1.00 0.44 H new ATOM 0 HB2 ASN A 111 16.497 0.370 -8.562 1.00 0.56 H new ATOM 0 HB3 ASN A 111 15.749 -1.193 -8.296 1.00 0.56 H new ATOM 0 HD21 ASN A 111 13.619 1.941 -9.863 1.00 1.41 H new ATOM 0 HD22 ASN A 111 15.276 2.126 -9.278 1.00 1.41 H new ATOM 1659 N TYR A 112 13.659 -0.121 -5.202 1.00 0.35 N ATOM 1660 CA TYR A 112 12.605 -0.866 -4.546 1.00 0.37 C ATOM 1661 C TYR A 112 11.272 -0.599 -5.207 1.00 0.42 C ATOM 1662 O TYR A 112 10.668 0.457 -5.042 1.00 0.55 O ATOM 1663 CB TYR A 112 12.575 -0.549 -3.050 1.00 0.40 C ATOM 1664 CG TYR A 112 13.736 -1.184 -2.333 1.00 0.40 C ATOM 1665 CD1 TYR A 112 13.855 -2.559 -2.227 1.00 0.68 C ATOM 1666 CD2 TYR A 112 14.683 -0.392 -1.708 1.00 0.64 C ATOM 1667 CE1 TYR A 112 14.886 -3.123 -1.513 1.00 0.75 C ATOM 1668 CE2 TYR A 112 15.726 -0.950 -1.002 1.00 0.67 C ATOM 1669 CZ TYR A 112 15.922 -2.384 -1.131 1.00 0.59 C ATOM 1670 OH TYR A 112 16.844 -2.888 -0.190 1.00 0.69 O ATOM 0 H TYR A 112 13.650 0.882 -5.018 1.00 0.35 H new ATOM 0 HA TYR A 112 12.811 -1.931 -4.650 1.00 0.37 H new ATOM 0 HB2 TYR A 112 12.602 0.531 -2.904 1.00 0.40 H new ATOM 0 HB3 TYR A 112 11.640 -0.906 -2.619 1.00 0.40 H new ATOM 0 HD1 TYR A 112 13.130 -3.196 -2.711 1.00 0.68 H new ATOM 0 HD2 TYR A 112 14.603 0.683 -1.775 1.00 0.64 H new ATOM 0 HE1 TYR A 112 14.853 -4.173 -1.261 1.00 0.75 H new ATOM 0 HE2 TYR A 112 16.371 -0.347 -0.379 1.00 0.67 H new ATOM 0 HH TYR A 112 17.640 -3.219 -0.657 1.00 0.69 H new ATOM 1680 N THR A 113 10.828 -1.572 -5.968 1.00 0.38 N ATOM 1681 CA THR A 113 9.594 -1.466 -6.706 1.00 0.46 C ATOM 1682 C THR A 113 8.477 -2.150 -5.944 1.00 0.51 C ATOM 1683 O THR A 113 8.554 -3.344 -5.676 1.00 0.83 O ATOM 1684 CB THR A 113 9.738 -2.108 -8.096 1.00 0.62 C ATOM 1685 OG1 THR A 113 10.794 -1.461 -8.820 1.00 0.66 O ATOM 1686 CG2 THR A 113 8.441 -2.010 -8.890 1.00 0.74 C ATOM 0 H THR A 113 11.314 -2.460 -6.092 1.00 0.38 H new ATOM 0 HA THR A 113 9.356 -0.410 -6.830 1.00 0.46 H new ATOM 0 HB THR A 113 9.974 -3.163 -7.958 1.00 0.62 H new ATOM 0 HG1 THR A 113 11.606 -1.448 -8.272 1.00 0.66 H new ATOM 0 HG21 THR A 113 8.577 -2.473 -9.867 1.00 0.74 H new ATOM 0 HG22 THR A 113 7.645 -2.525 -8.352 1.00 0.74 H new ATOM 0 HG23 THR A 113 8.172 -0.962 -9.019 1.00 0.74 H new ATOM 1694 N LEU A 114 7.468 -1.388 -5.565 1.00 0.34 N ATOM 1695 CA LEU A 114 6.299 -1.944 -4.906 1.00 0.38 C ATOM 1696 C LEU A 114 5.027 -1.382 -5.528 1.00 0.40 C ATOM 1697 O LEU A 114 4.593 -0.278 -5.204 1.00 0.47 O ATOM 1698 CB LEU A 114 6.328 -1.682 -3.392 1.00 0.43 C ATOM 1699 CG LEU A 114 6.677 -0.254 -2.973 1.00 0.41 C ATOM 1700 CD1 LEU A 114 5.915 0.131 -1.716 1.00 0.51 C ATOM 1701 CD2 LEU A 114 8.174 -0.110 -2.738 1.00 0.41 C ATOM 0 H LEU A 114 7.434 -0.378 -5.703 1.00 0.34 H new ATOM 0 HA LEU A 114 6.312 -3.024 -5.050 1.00 0.38 H new ATOM 0 HB2 LEU A 114 5.351 -1.934 -2.980 1.00 0.43 H new ATOM 0 HB3 LEU A 114 7.050 -2.361 -2.938 1.00 0.43 H new ATOM 0 HG LEU A 114 6.387 0.416 -3.782 1.00 0.41 H new ATOM 0 HD11 LEU A 114 6.175 1.151 -1.431 1.00 0.51 H new ATOM 0 HD12 LEU A 114 4.844 0.069 -1.907 1.00 0.51 H new ATOM 0 HD13 LEU A 114 6.179 -0.550 -0.907 1.00 0.51 H new ATOM 0 HD21 LEU A 114 8.399 0.914 -2.441 1.00 0.41 H new ATOM 0 HD22 LEU A 114 8.486 -0.794 -1.948 1.00 0.41 H new ATOM 0 HD23 LEU A 114 8.711 -0.347 -3.656 1.00 0.41 H new ATOM 1713 N THR A 115 4.451 -2.132 -6.451 1.00 0.42 N ATOM 1714 CA THR A 115 3.242 -1.702 -7.123 1.00 0.45 C ATOM 1715 C THR A 115 2.043 -1.852 -6.194 1.00 0.44 C ATOM 1716 O THR A 115 1.828 -2.916 -5.615 1.00 0.47 O ATOM 1717 CB THR A 115 2.995 -2.511 -8.410 1.00 0.49 C ATOM 1718 OG1 THR A 115 4.210 -2.622 -9.164 1.00 0.56 O ATOM 1719 CG2 THR A 115 1.922 -1.847 -9.265 1.00 0.59 C ATOM 0 H THR A 115 4.803 -3.041 -6.751 1.00 0.42 H new ATOM 0 HA THR A 115 3.370 -0.654 -7.394 1.00 0.45 H new ATOM 0 HB THR A 115 2.653 -3.507 -8.127 1.00 0.49 H new ATOM 0 HG1 THR A 115 4.043 -3.139 -9.979 1.00 0.56 H new ATOM 0 HG21 THR A 115 1.763 -2.434 -10.169 1.00 0.59 H new ATOM 0 HG22 THR A 115 0.991 -1.790 -8.701 1.00 0.59 H new ATOM 0 HG23 THR A 115 2.244 -0.842 -9.537 1.00 0.59 H new ATOM 1727 N LEU A 116 1.281 -0.786 -6.037 1.00 0.45 N ATOM 1728 CA LEU A 116 0.112 -0.805 -5.178 1.00 0.47 C ATOM 1729 C LEU A 116 -1.144 -0.569 -6.003 1.00 0.48 C ATOM 1730 O LEU A 116 -1.238 0.410 -6.741 1.00 0.63 O ATOM 1731 CB LEU A 116 0.242 0.263 -4.093 1.00 0.54 C ATOM 1732 CG LEU A 116 1.454 0.111 -3.166 1.00 0.61 C ATOM 1733 CD1 LEU A 116 1.496 1.246 -2.156 1.00 1.27 C ATOM 1734 CD2 LEU A 116 1.424 -1.235 -2.454 1.00 1.05 C ATOM 0 H LEU A 116 1.452 0.109 -6.496 1.00 0.45 H new ATOM 0 HA LEU A 116 0.039 -1.782 -4.700 1.00 0.47 H new ATOM 0 HB2 LEU A 116 0.292 1.240 -4.573 1.00 0.54 H new ATOM 0 HB3 LEU A 116 -0.663 0.252 -3.486 1.00 0.54 H new ATOM 0 HG LEU A 116 2.357 0.155 -3.775 1.00 0.61 H new ATOM 0 HD11 LEU A 116 2.362 1.123 -1.506 1.00 1.27 H new ATOM 0 HD12 LEU A 116 1.569 2.198 -2.682 1.00 1.27 H new ATOM 0 HD13 LEU A 116 0.587 1.232 -1.555 1.00 1.27 H new ATOM 0 HD21 LEU A 116 2.293 -1.321 -1.802 1.00 1.05 H new ATOM 0 HD22 LEU A 116 0.514 -1.311 -1.858 1.00 1.05 H new ATOM 0 HD23 LEU A 116 1.443 -2.037 -3.192 1.00 1.05 H new ATOM 1746 N THR A 117 -2.102 -1.465 -5.884 1.00 0.44 N ATOM 1747 CA THR A 117 -3.316 -1.379 -6.669 1.00 0.48 C ATOM 1748 C THR A 117 -4.487 -0.938 -5.800 1.00 0.58 C ATOM 1749 O THR A 117 -4.753 -1.529 -4.747 1.00 0.70 O ATOM 1750 CB THR A 117 -3.636 -2.734 -7.329 1.00 0.53 C ATOM 1751 OG1 THR A 117 -2.461 -3.242 -7.976 1.00 0.56 O ATOM 1752 CG2 THR A 117 -4.759 -2.595 -8.347 1.00 0.57 C ATOM 0 H THR A 117 -2.063 -2.263 -5.250 1.00 0.44 H new ATOM 0 HA THR A 117 -3.158 -0.637 -7.451 1.00 0.48 H new ATOM 0 HB THR A 117 -3.961 -3.426 -6.552 1.00 0.53 H new ATOM 0 HG1 THR A 117 -2.099 -2.560 -8.579 1.00 0.56 H new ATOM 0 HG21 THR A 117 -4.964 -3.566 -8.797 1.00 0.57 H new ATOM 0 HG22 THR A 117 -5.657 -2.228 -7.850 1.00 0.57 H new ATOM 0 HG23 THR A 117 -4.461 -1.891 -9.124 1.00 0.57 H new ATOM 1760 N GLY A 118 -5.168 0.115 -6.235 1.00 0.63 N ATOM 1761 CA GLY A 118 -6.341 0.581 -5.530 1.00 0.79 C ATOM 1762 C GLY A 118 -7.548 -0.285 -5.822 1.00 0.64 C ATOM 1763 O GLY A 118 -7.591 -0.978 -6.842 1.00 0.80 O ATOM 0 H GLY A 118 -4.926 0.654 -7.066 1.00 0.63 H new ATOM 0 HA2 GLY A 118 -6.145 0.583 -4.458 1.00 0.79 H new ATOM 0 HA3 GLY A 118 -6.553 1.611 -5.817 1.00 0.79 H new ATOM 1767 N GLY A 119 -8.522 -0.262 -4.930 1.00 0.52 N ATOM 1768 CA GLY A 119 -9.716 -1.048 -5.125 1.00 0.50 C ATOM 1769 C GLY A 119 -10.603 -1.033 -3.910 1.00 0.44 C ATOM 1770 O GLY A 119 -10.380 -0.260 -2.976 1.00 0.53 O ATOM 0 H GLY A 119 -8.506 0.289 -4.072 1.00 0.52 H new ATOM 0 HA2 GLY A 119 -10.268 -0.663 -5.982 1.00 0.50 H new ATOM 0 HA3 GLY A 119 -9.440 -2.076 -5.360 1.00 0.50 H new ATOM 1774 N TYR A 120 -11.606 -1.886 -3.909 1.00 0.42 N ATOM 1775 CA TYR A 120 -12.481 -1.999 -2.763 1.00 0.41 C ATOM 1776 C TYR A 120 -12.291 -3.347 -2.084 1.00 0.43 C ATOM 1777 O TYR A 120 -11.462 -4.164 -2.503 1.00 0.60 O ATOM 1778 CB TYR A 120 -13.949 -1.781 -3.154 1.00 0.48 C ATOM 1779 CG TYR A 120 -14.542 -2.827 -4.077 1.00 0.55 C ATOM 1780 CD1 TYR A 120 -15.180 -3.953 -3.562 1.00 0.61 C ATOM 1781 CD2 TYR A 120 -14.491 -2.675 -5.458 1.00 0.63 C ATOM 1782 CE1 TYR A 120 -15.748 -4.893 -4.398 1.00 0.71 C ATOM 1783 CE2 TYR A 120 -15.054 -3.616 -6.299 1.00 0.73 C ATOM 1784 CZ TYR A 120 -15.682 -4.722 -5.764 1.00 0.78 C ATOM 1785 OH TYR A 120 -16.262 -5.653 -6.598 1.00 0.89 O ATOM 0 H TYR A 120 -11.834 -2.508 -4.685 1.00 0.42 H new ATOM 0 HA TYR A 120 -12.214 -1.214 -2.055 1.00 0.41 H new ATOM 0 HB2 TYR A 120 -14.547 -1.744 -2.244 1.00 0.48 H new ATOM 0 HB3 TYR A 120 -14.038 -0.806 -3.634 1.00 0.48 H new ATOM 0 HD1 TYR A 120 -15.231 -4.093 -2.492 1.00 0.61 H new ATOM 0 HD2 TYR A 120 -14.004 -1.808 -5.880 1.00 0.63 H new ATOM 0 HE1 TYR A 120 -16.242 -5.759 -3.983 1.00 0.71 H new ATOM 0 HE2 TYR A 120 -15.003 -3.486 -7.370 1.00 0.73 H new ATOM 0 HH TYR A 120 -16.128 -5.385 -7.531 1.00 0.89 H new ATOM 1795 N TRP A 121 -13.039 -3.557 -1.025 1.00 0.39 N ATOM 1796 CA TRP A 121 -12.982 -4.788 -0.270 1.00 0.40 C ATOM 1797 C TRP A 121 -14.376 -5.120 0.259 1.00 0.48 C ATOM 1798 O TRP A 121 -15.175 -4.219 0.527 1.00 0.53 O ATOM 1799 CB TRP A 121 -11.956 -4.636 0.862 1.00 0.43 C ATOM 1800 CG TRP A 121 -12.148 -5.578 1.999 1.00 0.42 C ATOM 1801 CD1 TRP A 121 -13.121 -5.492 2.940 1.00 0.51 C ATOM 1802 CD2 TRP A 121 -11.356 -6.723 2.341 1.00 0.42 C ATOM 1803 NE1 TRP A 121 -13.017 -6.522 3.823 1.00 0.56 N ATOM 1804 CE2 TRP A 121 -11.941 -7.285 3.488 1.00 0.49 C ATOM 1805 CE3 TRP A 121 -10.224 -7.338 1.800 1.00 0.45 C ATOM 1806 CZ2 TRP A 121 -11.443 -8.417 4.094 1.00 0.53 C ATOM 1807 CZ3 TRP A 121 -9.734 -8.473 2.420 1.00 0.49 C ATOM 1808 CH2 TRP A 121 -10.345 -8.996 3.551 1.00 0.51 C ATOM 0 H TRP A 121 -13.706 -2.877 -0.662 1.00 0.39 H new ATOM 0 HA TRP A 121 -12.662 -5.615 -0.903 1.00 0.40 H new ATOM 0 HB2 TRP A 121 -10.957 -4.781 0.452 1.00 0.43 H new ATOM 0 HB3 TRP A 121 -12.000 -3.615 1.241 1.00 0.43 H new ATOM 0 HD1 TRP A 121 -13.871 -4.716 2.982 1.00 0.51 H new ATOM 0 HE1 TRP A 121 -13.644 -6.694 4.609 1.00 0.56 H new ATOM 0 HE3 TRP A 121 -9.744 -6.937 0.920 1.00 0.45 H new ATOM 0 HZ2 TRP A 121 -11.913 -8.830 4.974 1.00 0.53 H new ATOM 0 HZ3 TRP A 121 -8.859 -8.962 2.016 1.00 0.49 H new ATOM 0 HH2 TRP A 121 -9.936 -9.885 4.009 1.00 0.51 H new ATOM 1819 N ALA A 122 -14.670 -6.406 0.381 1.00 0.57 N ATOM 1820 CA ALA A 122 -15.940 -6.857 0.916 1.00 0.73 C ATOM 1821 C ALA A 122 -15.735 -7.818 2.090 1.00 0.90 C ATOM 1822 O ALA A 122 -14.787 -8.612 2.101 1.00 1.42 O ATOM 1823 CB ALA A 122 -16.761 -7.517 -0.178 1.00 0.94 C ATOM 0 H ALA A 122 -14.037 -7.160 0.113 1.00 0.57 H new ATOM 0 HA ALA A 122 -16.483 -5.988 1.289 1.00 0.73 H new ATOM 0 HB1 ALA A 122 -17.713 -7.852 0.234 1.00 0.94 H new ATOM 0 HB2 ALA A 122 -16.944 -6.800 -0.978 1.00 0.94 H new ATOM 0 HB3 ALA A 122 -16.216 -8.373 -0.576 1.00 0.94 H new ATOM 1829 N LYS A 123 -16.632 -7.721 3.070 1.00 0.84 N ATOM 1830 CA LYS A 123 -16.616 -8.550 4.278 1.00 0.97 C ATOM 1831 C LYS A 123 -15.402 -8.200 5.144 1.00 0.83 C ATOM 1832 O LYS A 123 -15.111 -7.022 5.341 1.00 0.86 O ATOM 1833 CB LYS A 123 -16.661 -10.046 3.925 1.00 1.10 C ATOM 1834 CG LYS A 123 -17.531 -10.869 4.871 1.00 1.83 C ATOM 1835 CD LYS A 123 -16.735 -11.450 6.029 1.00 1.97 C ATOM 1836 CE LYS A 123 -17.639 -11.855 7.179 1.00 2.89 C ATOM 1837 NZ LYS A 123 -18.129 -10.671 7.934 1.00 3.47 N ATOM 0 H LYS A 123 -17.403 -7.054 3.048 1.00 0.84 H new ATOM 0 HA LYS A 123 -17.513 -8.337 4.860 1.00 0.97 H new ATOM 0 HB2 LYS A 123 -17.036 -10.160 2.908 1.00 1.10 H new ATOM 0 HB3 LYS A 123 -15.647 -10.445 3.938 1.00 1.10 H new ATOM 0 HG2 LYS A 123 -18.332 -10.242 5.262 1.00 1.83 H new ATOM 0 HG3 LYS A 123 -18.003 -11.679 4.315 1.00 1.83 H new ATOM 0 HD2 LYS A 123 -16.171 -12.317 5.685 1.00 1.97 H new ATOM 0 HD3 LYS A 123 -16.009 -10.716 6.377 1.00 1.97 H new ATOM 0 HE2 LYS A 123 -18.489 -12.418 6.793 1.00 2.89 H new ATOM 0 HE3 LYS A 123 -17.096 -12.518 7.853 1.00 2.89 H new ATOM 0 HZ1 LYS A 123 -18.570 -10.984 8.822 1.00 3.47 H new ATOM 0 HZ2 LYS A 123 -17.330 -10.041 8.148 1.00 3.47 H new ATOM 0 HZ3 LYS A 123 -18.830 -10.159 7.361 1.00 3.47 H new ATOM 1851 N ASP A 124 -14.710 -9.198 5.683 1.00 0.82 N ATOM 1852 CA ASP A 124 -13.526 -8.944 6.499 1.00 0.81 C ATOM 1853 C ASP A 124 -12.668 -10.197 6.618 1.00 0.71 C ATOM 1854 O ASP A 124 -13.192 -11.300 6.761 1.00 0.74 O ATOM 1855 CB ASP A 124 -13.907 -8.431 7.895 1.00 1.07 C ATOM 1856 CG ASP A 124 -14.633 -9.461 8.739 1.00 1.65 C ATOM 1857 OD1 ASP A 124 -13.960 -10.247 9.436 1.00 2.08 O ATOM 1858 OD2 ASP A 124 -15.883 -9.476 8.724 1.00 2.02 O ATOM 0 H ASP A 124 -14.945 -10.184 5.571 1.00 0.82 H new ATOM 0 HA ASP A 124 -12.946 -8.169 5.998 1.00 0.81 H new ATOM 0 HB2 ASP A 124 -13.003 -8.116 8.417 1.00 1.07 H new ATOM 0 HB3 ASP A 124 -14.538 -7.549 7.790 1.00 1.07 H new ATOM 1863 N ASN A 125 -11.348 -9.998 6.523 1.00 0.70 N ATOM 1864 CA ASN A 125 -10.328 -11.063 6.615 1.00 0.73 C ATOM 1865 C ASN A 125 -10.394 -12.087 5.474 1.00 0.73 C ATOM 1866 O ASN A 125 -9.360 -12.500 4.955 1.00 0.91 O ATOM 1867 CB ASN A 125 -10.407 -11.797 7.944 1.00 0.87 C ATOM 1868 CG ASN A 125 -10.114 -10.904 9.133 1.00 1.71 C ATOM 1869 OD1 ASN A 125 -8.955 -10.691 9.494 1.00 2.47 O ATOM 1870 ND2 ASN A 125 -11.157 -10.383 9.762 1.00 2.40 N ATOM 0 H ASN A 125 -10.945 -9.073 6.377 1.00 0.70 H new ATOM 0 HA ASN A 125 -9.374 -10.542 6.532 1.00 0.73 H new ATOM 0 HB2 ASN A 125 -11.402 -12.227 8.056 1.00 0.87 H new ATOM 0 HB3 ASN A 125 -9.700 -12.627 7.937 1.00 0.87 H new ATOM 0 HD21 ASN A 125 -11.015 -9.783 10.574 1.00 2.40 H new ATOM 0 HD22 ASN A 125 -12.102 -10.582 9.434 1.00 2.40 H new ATOM 1877 N LYS A 126 -11.604 -12.482 5.083 1.00 0.66 N ATOM 1878 CA LYS A 126 -11.822 -13.534 4.084 1.00 0.76 C ATOM 1879 C LYS A 126 -11.258 -13.159 2.712 1.00 0.76 C ATOM 1880 O LYS A 126 -11.316 -13.954 1.774 1.00 1.09 O ATOM 1881 CB LYS A 126 -13.321 -13.840 3.973 1.00 0.84 C ATOM 1882 CG LYS A 126 -14.141 -12.711 3.365 1.00 0.82 C ATOM 1883 CD LYS A 126 -14.495 -13.004 1.915 1.00 0.88 C ATOM 1884 CE LYS A 126 -15.212 -11.831 1.276 1.00 1.39 C ATOM 1885 NZ LYS A 126 -15.787 -12.184 -0.051 1.00 1.96 N ATOM 0 H LYS A 126 -12.467 -12.081 5.450 1.00 0.66 H new ATOM 0 HA LYS A 126 -11.286 -14.422 4.419 1.00 0.76 H new ATOM 0 HB2 LYS A 126 -13.454 -14.738 3.369 1.00 0.84 H new ATOM 0 HB3 LYS A 126 -13.710 -14.063 4.966 1.00 0.84 H new ATOM 0 HG2 LYS A 126 -15.054 -12.570 3.943 1.00 0.82 H new ATOM 0 HG3 LYS A 126 -13.579 -11.779 3.423 1.00 0.82 H new ATOM 0 HD2 LYS A 126 -13.587 -13.227 1.355 1.00 0.88 H new ATOM 0 HD3 LYS A 126 -15.127 -13.891 1.865 1.00 0.88 H new ATOM 0 HE2 LYS A 126 -16.009 -11.489 1.937 1.00 1.39 H new ATOM 0 HE3 LYS A 126 -14.516 -11.000 1.160 1.00 1.39 H new ATOM 0 HZ1 LYS A 126 -16.268 -11.354 -0.453 1.00 1.96 H new ATOM 0 HZ2 LYS A 126 -15.024 -12.486 -0.691 1.00 1.96 H new ATOM 0 HZ3 LYS A 126 -16.471 -12.959 0.062 1.00 1.96 H new ATOM 1899 N GLN A 127 -10.738 -11.943 2.608 1.00 0.63 N ATOM 1900 CA GLN A 127 -10.163 -11.425 1.375 1.00 0.64 C ATOM 1901 C GLN A 127 -11.226 -11.211 0.309 1.00 0.63 C ATOM 1902 O GLN A 127 -11.261 -11.896 -0.707 1.00 0.91 O ATOM 1903 CB GLN A 127 -9.027 -12.320 0.861 1.00 0.79 C ATOM 1904 CG GLN A 127 -7.736 -12.153 1.647 1.00 1.28 C ATOM 1905 CD GLN A 127 -6.648 -13.116 1.207 1.00 1.41 C ATOM 1906 OE1 GLN A 127 -5.866 -12.821 0.303 1.00 2.02 O ATOM 1907 NE2 GLN A 127 -6.589 -14.275 1.845 1.00 1.62 N ATOM 0 H GLN A 127 -10.704 -11.283 3.385 1.00 0.63 H new ATOM 0 HA GLN A 127 -9.731 -10.451 1.606 1.00 0.64 H new ATOM 0 HB2 GLN A 127 -9.343 -13.362 0.909 1.00 0.79 H new ATOM 0 HB3 GLN A 127 -8.839 -12.092 -0.188 1.00 0.79 H new ATOM 0 HG2 GLN A 127 -7.377 -11.130 1.533 1.00 1.28 H new ATOM 0 HG3 GLN A 127 -7.940 -12.303 2.707 1.00 1.28 H new ATOM 0 HE21 GLN A 127 -7.255 -14.482 2.589 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -5.877 -14.960 1.592 1.00 1.62 H new ATOM 1916 N GLY A 128 -12.110 -10.249 0.565 1.00 0.50 N ATOM 1917 CA GLY A 128 -13.073 -9.851 -0.432 1.00 0.50 C ATOM 1918 C GLY A 128 -12.578 -8.656 -1.215 1.00 0.45 C ATOM 1919 O GLY A 128 -13.338 -7.747 -1.531 1.00 0.77 O ATOM 0 H GLY A 128 -12.171 -9.742 1.448 1.00 0.50 H new ATOM 0 HA2 GLY A 128 -13.264 -10.682 -1.111 1.00 0.50 H new ATOM 0 HA3 GLY A 128 -14.021 -9.608 0.049 1.00 0.50 H new ATOM 1923 N PHE A 129 -11.291 -8.660 -1.518 1.00 0.61 N ATOM 1924 CA PHE A 129 -10.651 -7.521 -2.153 1.00 0.63 C ATOM 1925 C PHE A 129 -10.893 -7.540 -3.661 1.00 0.58 C ATOM 1926 O PHE A 129 -11.082 -8.601 -4.253 1.00 0.63 O ATOM 1927 CB PHE A 129 -9.141 -7.534 -1.861 1.00 0.72 C ATOM 1928 CG PHE A 129 -8.401 -8.705 -2.456 1.00 0.77 C ATOM 1929 CD1 PHE A 129 -8.394 -9.934 -1.816 1.00 1.02 C ATOM 1930 CD2 PHE A 129 -7.719 -8.577 -3.656 1.00 0.75 C ATOM 1931 CE1 PHE A 129 -7.721 -11.012 -2.359 1.00 1.21 C ATOM 1932 CE2 PHE A 129 -7.042 -9.652 -4.204 1.00 0.89 C ATOM 1933 CZ PHE A 129 -7.028 -10.860 -3.554 1.00 1.14 C ATOM 0 H PHE A 129 -10.666 -9.444 -1.333 1.00 0.61 H new ATOM 0 HA PHE A 129 -11.085 -6.608 -1.745 1.00 0.63 H new ATOM 0 HB2 PHE A 129 -8.702 -6.612 -2.241 1.00 0.72 H new ATOM 0 HB3 PHE A 129 -8.992 -7.537 -0.781 1.00 0.72 H new ATOM 0 HD1 PHE A 129 -8.921 -10.051 -0.881 1.00 1.02 H new ATOM 0 HD2 PHE A 129 -7.716 -7.627 -4.169 1.00 0.75 H new ATOM 0 HE1 PHE A 129 -7.734 -11.968 -1.857 1.00 1.21 H new ATOM 0 HE2 PHE A 129 -6.524 -9.540 -5.145 1.00 0.89 H new ATOM 0 HZ PHE A 129 -6.479 -11.692 -3.970 1.00 1.14 H new ATOM 1943 N THR A 130 -10.908 -6.368 -4.273 1.00 0.61 N ATOM 1944 CA THR A 130 -11.022 -6.267 -5.722 1.00 0.63 C ATOM 1945 C THR A 130 -10.256 -5.054 -6.240 1.00 0.60 C ATOM 1946 O THR A 130 -10.453 -3.940 -5.757 1.00 0.67 O ATOM 1947 CB THR A 130 -12.497 -6.167 -6.160 1.00 0.73 C ATOM 1948 OG1 THR A 130 -13.232 -7.295 -5.670 1.00 1.47 O ATOM 1949 CG2 THR A 130 -12.617 -6.106 -7.678 1.00 0.90 C ATOM 0 H THR A 130 -10.843 -5.472 -3.791 1.00 0.61 H new ATOM 0 HA THR A 130 -10.591 -7.173 -6.147 1.00 0.63 H new ATOM 0 HB THR A 130 -12.909 -5.249 -5.742 1.00 0.73 H new ATOM 0 HG1 THR A 130 -14.168 -7.223 -5.951 1.00 1.47 H new ATOM 0 HG21 THR A 130 -13.668 -6.036 -7.957 1.00 0.90 H new ATOM 0 HG22 THR A 130 -12.084 -5.231 -8.050 1.00 0.90 H new ATOM 0 HG23 THR A 130 -12.185 -7.007 -8.114 1.00 0.90 H new ATOM 1957 N PRO A 131 -9.344 -5.265 -7.201 1.00 0.63 N ATOM 1958 CA PRO A 131 -8.605 -4.180 -7.849 1.00 0.65 C ATOM 1959 C PRO A 131 -9.500 -3.377 -8.790 1.00 0.63 C ATOM 1960 O PRO A 131 -9.978 -3.895 -9.803 1.00 0.75 O ATOM 1961 CB PRO A 131 -7.502 -4.904 -8.643 1.00 0.80 C ATOM 1962 CG PRO A 131 -7.546 -6.328 -8.194 1.00 0.92 C ATOM 1963 CD PRO A 131 -8.950 -6.574 -7.732 1.00 0.75 C ATOM 0 HA PRO A 131 -8.213 -3.463 -7.128 1.00 0.65 H new ATOM 0 HB2 PRO A 131 -7.678 -4.827 -9.716 1.00 0.80 H new ATOM 0 HB3 PRO A 131 -6.525 -4.462 -8.447 1.00 0.80 H new ATOM 0 HG2 PRO A 131 -7.280 -7.002 -9.008 1.00 0.92 H new ATOM 0 HG3 PRO A 131 -6.834 -6.505 -7.388 1.00 0.92 H new ATOM 0 HD2 PRO A 131 -9.597 -6.891 -8.550 1.00 0.75 H new ATOM 0 HD3 PRO A 131 -8.996 -7.352 -6.970 1.00 0.75 H new ATOM 1971 N SER A 132 -9.731 -2.118 -8.454 1.00 0.55 N ATOM 1972 CA SER A 132 -10.636 -1.279 -9.219 1.00 0.57 C ATOM 1973 C SER A 132 -10.226 0.192 -9.128 1.00 0.56 C ATOM 1974 O SER A 132 -10.040 0.734 -8.036 1.00 0.73 O ATOM 1975 CB SER A 132 -12.070 -1.483 -8.714 1.00 0.64 C ATOM 1976 OG SER A 132 -12.135 -1.360 -7.303 1.00 1.52 O ATOM 0 H SER A 132 -9.302 -1.654 -7.653 1.00 0.55 H new ATOM 0 HA SER A 132 -10.586 -1.567 -10.269 1.00 0.57 H new ATOM 0 HB2 SER A 132 -12.730 -0.750 -9.177 1.00 0.64 H new ATOM 0 HB3 SER A 132 -12.428 -2.468 -9.013 1.00 0.64 H new ATOM 0 HG SER A 132 -12.380 -0.441 -7.066 1.00 1.52 H new ATOM 1982 N GLY A 133 -10.070 0.827 -10.280 1.00 0.54 N ATOM 1983 CA GLY A 133 -9.681 2.219 -10.307 1.00 0.57 C ATOM 1984 C GLY A 133 -8.352 2.426 -10.993 1.00 0.62 C ATOM 1985 O GLY A 133 -8.225 2.204 -12.196 1.00 1.17 O ATOM 0 H GLY A 133 -10.206 0.401 -11.197 1.00 0.54 H new ATOM 0 HA2 GLY A 133 -10.448 2.799 -10.821 1.00 0.57 H new ATOM 0 HA3 GLY A 133 -9.625 2.599 -9.287 1.00 0.57 H new ATOM 1989 N THR A 134 -7.357 2.848 -10.232 1.00 0.62 N ATOM 1990 CA THR A 134 -6.035 3.095 -10.777 1.00 0.97 C ATOM 1991 C THR A 134 -4.968 2.406 -9.930 1.00 0.68 C ATOM 1992 O THR A 134 -5.020 2.447 -8.700 1.00 0.95 O ATOM 1993 CB THR A 134 -5.749 4.609 -10.840 1.00 1.77 C ATOM 1994 OG1 THR A 134 -6.863 5.285 -11.441 1.00 2.38 O ATOM 1995 CG2 THR A 134 -4.490 4.898 -11.642 1.00 2.47 C ATOM 0 H THR A 134 -7.441 3.027 -9.231 1.00 0.62 H new ATOM 0 HA THR A 134 -6.005 2.686 -11.787 1.00 0.97 H new ATOM 0 HB THR A 134 -5.599 4.969 -9.822 1.00 1.77 H new ATOM 0 HG1 THR A 134 -6.680 6.247 -11.479 1.00 2.38 H new ATOM 0 HG21 THR A 134 -4.314 5.973 -11.669 1.00 2.47 H new ATOM 0 HG22 THR A 134 -3.639 4.403 -11.174 1.00 2.47 H new ATOM 0 HG23 THR A 134 -4.613 4.525 -12.659 1.00 2.47 H new ATOM 2003 N THR A 135 -4.023 1.753 -10.588 1.00 0.72 N ATOM 2004 CA THR A 135 -2.923 1.110 -9.893 1.00 0.70 C ATOM 2005 C THR A 135 -1.685 2.005 -9.959 1.00 0.64 C ATOM 2006 O THR A 135 -1.431 2.650 -10.979 1.00 0.88 O ATOM 2007 CB THR A 135 -2.619 -0.291 -10.483 1.00 1.08 C ATOM 2008 OG1 THR A 135 -1.631 -0.963 -9.694 1.00 1.82 O ATOM 2009 CG2 THR A 135 -2.142 -0.198 -11.928 1.00 1.27 C ATOM 0 H THR A 135 -3.997 1.655 -11.603 1.00 0.72 H new ATOM 0 HA THR A 135 -3.209 0.966 -8.851 1.00 0.70 H new ATOM 0 HB THR A 135 -3.548 -0.861 -10.464 1.00 1.08 H new ATOM 0 HG1 THR A 135 -1.514 -0.490 -8.844 1.00 1.82 H new ATOM 0 HG21 THR A 135 -1.938 -1.199 -12.309 1.00 1.27 H new ATOM 0 HG22 THR A 135 -2.915 0.272 -12.537 1.00 1.27 H new ATOM 0 HG23 THR A 135 -1.231 0.400 -11.973 1.00 1.27 H new ATOM 2017 N GLY A 136 -0.943 2.068 -8.868 1.00 0.52 N ATOM 2018 CA GLY A 136 0.198 2.951 -8.809 1.00 0.58 C ATOM 2019 C GLY A 136 1.442 2.250 -8.317 1.00 0.45 C ATOM 2020 O GLY A 136 1.474 1.722 -7.206 1.00 0.67 O ATOM 0 H GLY A 136 -1.110 1.523 -8.022 1.00 0.52 H new ATOM 0 HA2 GLY A 136 0.385 3.365 -9.800 1.00 0.58 H new ATOM 0 HA3 GLY A 136 -0.028 3.789 -8.150 1.00 0.58 H new ATOM 2024 N THR A 137 2.463 2.236 -9.149 1.00 0.38 N ATOM 2025 CA THR A 137 3.725 1.632 -8.787 1.00 0.33 C ATOM 2026 C THR A 137 4.499 2.567 -7.870 1.00 0.33 C ATOM 2027 O THR A 137 5.031 3.585 -8.315 1.00 0.39 O ATOM 2028 CB THR A 137 4.574 1.329 -10.036 1.00 0.42 C ATOM 2029 OG1 THR A 137 3.749 0.744 -11.053 1.00 0.58 O ATOM 2030 CG2 THR A 137 5.720 0.385 -9.702 1.00 0.50 C ATOM 0 H THR A 137 2.441 2.639 -10.086 1.00 0.38 H new ATOM 0 HA THR A 137 3.516 0.694 -8.273 1.00 0.33 H new ATOM 0 HB THR A 137 4.995 2.267 -10.398 1.00 0.42 H new ATOM 0 HG1 THR A 137 3.215 1.444 -11.484 1.00 0.58 H new ATOM 0 HG21 THR A 137 6.303 0.188 -10.602 1.00 0.50 H new ATOM 0 HG22 THR A 137 6.360 0.842 -8.948 1.00 0.50 H new ATOM 0 HG23 THR A 137 5.319 -0.553 -9.317 1.00 0.50 H new ATOM 2038 N THR A 138 4.531 2.247 -6.589 1.00 0.32 N ATOM 2039 CA THR A 138 5.294 3.035 -5.652 1.00 0.36 C ATOM 2040 C THR A 138 6.763 2.664 -5.772 1.00 0.37 C ATOM 2041 O THR A 138 7.176 1.565 -5.402 1.00 0.38 O ATOM 2042 CB THR A 138 4.803 2.823 -4.210 1.00 0.39 C ATOM 2043 OG1 THR A 138 3.399 3.100 -4.140 1.00 0.40 O ATOM 2044 CG2 THR A 138 5.549 3.729 -3.242 1.00 0.52 C ATOM 0 H THR A 138 4.040 1.452 -6.181 1.00 0.32 H new ATOM 0 HA THR A 138 5.159 4.090 -5.890 1.00 0.36 H new ATOM 0 HB THR A 138 4.993 1.787 -3.928 1.00 0.39 H new ATOM 0 HG1 THR A 138 3.201 3.579 -3.308 1.00 0.40 H new ATOM 0 HG21 THR A 138 5.183 3.559 -2.229 1.00 0.52 H new ATOM 0 HG22 THR A 138 6.615 3.507 -3.284 1.00 0.52 H new ATOM 0 HG23 THR A 138 5.384 4.771 -3.518 1.00 0.52 H new ATOM 2052 N LYS A 139 7.542 3.565 -6.334 1.00 0.41 N ATOM 2053 CA LYS A 139 8.947 3.309 -6.549 1.00 0.44 C ATOM 2054 C LYS A 139 9.775 3.947 -5.450 1.00 0.44 C ATOM 2055 O LYS A 139 9.826 5.175 -5.302 1.00 0.49 O ATOM 2056 CB LYS A 139 9.368 3.824 -7.923 1.00 0.53 C ATOM 2057 CG LYS A 139 10.814 3.524 -8.283 1.00 0.59 C ATOM 2058 CD LYS A 139 11.005 2.082 -8.725 1.00 1.21 C ATOM 2059 CE LYS A 139 10.167 1.762 -9.955 1.00 1.33 C ATOM 2060 NZ LYS A 139 10.631 0.527 -10.640 1.00 2.18 N ATOM 0 H LYS A 139 7.224 4.481 -6.650 1.00 0.41 H new ATOM 0 HA LYS A 139 9.121 2.233 -6.518 1.00 0.44 H new ATOM 0 HB2 LYS A 139 8.718 3.383 -8.679 1.00 0.53 H new ATOM 0 HB3 LYS A 139 9.212 4.902 -7.958 1.00 0.53 H new ATOM 0 HG2 LYS A 139 11.135 4.193 -9.081 1.00 0.59 H new ATOM 0 HG3 LYS A 139 11.451 3.726 -7.422 1.00 0.59 H new ATOM 0 HD2 LYS A 139 12.058 1.903 -8.944 1.00 1.21 H new ATOM 0 HD3 LYS A 139 10.730 1.411 -7.911 1.00 1.21 H new ATOM 0 HE2 LYS A 139 9.124 1.644 -9.662 1.00 1.33 H new ATOM 0 HE3 LYS A 139 10.210 2.600 -10.651 1.00 1.33 H new ATOM 0 HZ1 LYS A 139 9.956 0.270 -11.388 1.00 2.18 H new ATOM 0 HZ2 LYS A 139 11.567 0.694 -11.061 1.00 2.18 H new ATOM 0 HZ3 LYS A 139 10.695 -0.249 -9.951 1.00 2.18 H new ATOM 2074 N LEU A 140 10.386 3.095 -4.659 1.00 0.45 N ATOM 2075 CA LEU A 140 11.271 3.521 -3.608 1.00 0.44 C ATOM 2076 C LEU A 140 12.718 3.333 -4.056 1.00 0.39 C ATOM 2077 O LEU A 140 13.285 2.251 -3.949 1.00 0.40 O ATOM 2078 CB LEU A 140 10.967 2.728 -2.327 1.00 0.46 C ATOM 2079 CG LEU A 140 12.103 2.647 -1.309 1.00 0.53 C ATOM 2080 CD1 LEU A 140 12.491 4.025 -0.810 1.00 0.63 C ATOM 2081 CD2 LEU A 140 11.711 1.757 -0.144 1.00 0.62 C ATOM 0 H LEU A 140 10.280 2.083 -4.730 1.00 0.45 H new ATOM 0 HA LEU A 140 11.118 4.579 -3.392 1.00 0.44 H new ATOM 0 HB2 LEU A 140 10.101 3.177 -1.841 1.00 0.46 H new ATOM 0 HB3 LEU A 140 10.684 1.714 -2.609 1.00 0.46 H new ATOM 0 HG LEU A 140 12.968 2.211 -1.808 1.00 0.53 H new ATOM 0 HD11 LEU A 140 13.302 3.935 -0.087 1.00 0.63 H new ATOM 0 HD12 LEU A 140 12.820 4.637 -1.650 1.00 0.63 H new ATOM 0 HD13 LEU A 140 11.631 4.495 -0.334 1.00 0.63 H new ATOM 0 HD21 LEU A 140 12.532 1.711 0.571 1.00 0.62 H new ATOM 0 HD22 LEU A 140 10.827 2.166 0.345 1.00 0.62 H new ATOM 0 HD23 LEU A 140 11.492 0.754 -0.510 1.00 0.62 H new ATOM 2093 N THR A 141 13.295 4.386 -4.590 1.00 0.39 N ATOM 2094 CA THR A 141 14.673 4.352 -5.027 1.00 0.38 C ATOM 2095 C THR A 141 15.531 5.122 -4.039 1.00 0.34 C ATOM 2096 O THR A 141 15.069 6.091 -3.449 1.00 0.40 O ATOM 2097 CB THR A 141 14.821 4.968 -6.434 1.00 0.48 C ATOM 2098 OG1 THR A 141 13.835 4.409 -7.315 1.00 0.58 O ATOM 2099 CG2 THR A 141 16.210 4.707 -6.999 1.00 0.54 C ATOM 0 H THR A 141 12.828 5.282 -4.733 1.00 0.39 H new ATOM 0 HA THR A 141 14.999 3.313 -5.073 1.00 0.38 H new ATOM 0 HB THR A 141 14.675 6.045 -6.352 1.00 0.48 H new ATOM 0 HG1 THR A 141 13.931 4.804 -8.207 1.00 0.58 H new ATOM 0 HG21 THR A 141 16.289 5.151 -7.991 1.00 0.54 H new ATOM 0 HG22 THR A 141 16.959 5.150 -6.343 1.00 0.54 H new ATOM 0 HG23 THR A 141 16.379 3.632 -7.068 1.00 0.54 H new ATOM 2107 N VAL A 142 16.750 4.674 -3.811 1.00 0.44 N ATOM 2108 CA VAL A 142 17.656 5.409 -2.948 1.00 0.57 C ATOM 2109 C VAL A 142 18.561 6.315 -3.782 1.00 0.77 C ATOM 2110 O VAL A 142 19.054 5.923 -4.841 1.00 1.10 O ATOM 2111 CB VAL A 142 18.497 4.464 -2.060 1.00 0.80 C ATOM 2112 CG1 VAL A 142 19.336 3.517 -2.908 1.00 1.69 C ATOM 2113 CG2 VAL A 142 19.376 5.257 -1.103 1.00 1.74 C ATOM 0 H VAL A 142 17.134 3.815 -4.206 1.00 0.44 H new ATOM 0 HA VAL A 142 17.054 6.027 -2.282 1.00 0.57 H new ATOM 0 HB VAL A 142 17.808 3.862 -1.467 1.00 0.80 H new ATOM 0 HG11 VAL A 142 19.917 2.864 -2.257 1.00 1.69 H new ATOM 0 HG12 VAL A 142 18.681 2.913 -3.536 1.00 1.69 H new ATOM 0 HG13 VAL A 142 20.011 4.095 -3.539 1.00 1.69 H new ATOM 0 HG21 VAL A 142 19.958 4.570 -0.489 1.00 1.74 H new ATOM 0 HG22 VAL A 142 20.051 5.895 -1.673 1.00 1.74 H new ATOM 0 HG23 VAL A 142 18.749 5.875 -0.461 1.00 1.74 H new ATOM 2123 N THR A 143 18.734 7.542 -3.326 1.00 0.85 N ATOM 2124 CA THR A 143 19.586 8.499 -4.005 1.00 1.18 C ATOM 2125 C THR A 143 20.343 9.332 -2.979 1.00 1.82 C ATOM 2126 O THR A 143 19.750 10.274 -2.417 1.00 2.22 O ATOM 2127 CB THR A 143 18.770 9.413 -4.944 1.00 1.54 C ATOM 2128 OG1 THR A 143 18.028 8.604 -5.869 1.00 2.04 O ATOM 2129 CG2 THR A 143 19.675 10.365 -5.716 1.00 1.94 C ATOM 2130 OXT THR A 143 21.521 9.014 -2.718 1.00 2.58 O ATOM 0 H THR A 143 18.291 7.901 -2.480 1.00 0.85 H new ATOM 0 HA THR A 143 20.298 7.948 -4.619 1.00 1.18 H new ATOM 0 HB THR A 143 18.090 10.009 -4.335 1.00 1.54 H new ATOM 0 HG1 THR A 143 17.508 9.182 -6.465 1.00 2.04 H new ATOM 0 HG21 THR A 143 19.069 10.994 -6.368 1.00 1.94 H new ATOM 0 HG22 THR A 143 20.226 10.992 -5.015 1.00 1.94 H new ATOM 0 HG23 THR A 143 20.379 9.790 -6.318 1.00 1.94 H new