USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 648 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 61 GLN : amide:sc= -2.9! C(o=-5.5!,f=-12!) USER MOD Set 1.2: A 68 HIS : no HE2:sc= -2.6 K(o=-5.5,f=-12!) USER MOD Set 2.1: A 13 TYR OH : rot 120:sc= 0.923 USER MOD Set 2.2: A 73 THR OG1 : rot -110:sc= 1.36 USER MOD Single : A 1 MET CE :methyl 155:sc= -0.0444 (180deg=-1.35) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 3 THR OG1 : rot 127:sc= 1.13 USER MOD Single : A 9 SER OG : rot 180:sc= 0.4 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 131:sc= 1.51 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -168:sc= -0.0263 (180deg=-0.296) USER MOD Single : A 25 SER OG : rot -14:sc= 1.27 USER MOD Single : A 26 ASN : amide:sc= -0.0047 X(o=-0.0047,f=-0.25) USER MOD Single : A 32 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.24) USER MOD Single : A 33 TYR OH : rot 14:sc= 1.18 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 35 TYR OH : rot 11:sc= 0.895 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.826 USER MOD Single : A 45 LYS NZ :NH3+ 177:sc= -0.0118 (180deg=-0.0195) USER MOD Single : A 49 GLN : amide:sc= -0.837 K(o=-0.84,f=-0.16) USER MOD Single : A 50 GLN : amide:sc= -0.899 X(o=-0.9,f=-1.1) USER MOD Single : A 51 LYS NZ :NH3+ -121:sc= 0.261 (180deg=-0.0371) USER MOD Single : A 54 LYS NZ :NH3+ 174:sc=-0.00491 (180deg=-0.0714) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.0805 K(o=0.08,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.244 1.903 10.131 1.00 1.60 N ATOM 2 CA MET A 1 8.777 1.271 8.890 1.00 1.21 C ATOM 3 C MET A 1 7.861 2.207 8.097 1.00 1.23 C ATOM 4 O MET A 1 6.694 2.364 8.421 1.00 2.21 O ATOM 5 CB MET A 1 8.179 -0.127 9.148 1.00 1.40 C ATOM 6 CG MET A 1 6.742 -0.196 9.696 1.00 2.08 C ATOM 7 SD MET A 1 5.448 -0.339 8.428 1.00 3.84 S ATOM 8 CE MET A 1 3.953 -0.087 9.398 1.00 4.16 C ATOM 0 H1 MET A 1 9.862 1.243 10.645 1.00 1.60 H new ATOM 0 H2 MET A 1 9.775 2.768 9.902 1.00 1.60 H new ATOM 0 H3 MET A 1 8.426 2.146 10.726 1.00 1.60 H new ATOM 0 HA MET A 1 9.642 1.096 8.250 1.00 1.21 H new ATOM 0 HB2 MET A 1 8.209 -0.683 8.211 1.00 1.40 H new ATOM 0 HB3 MET A 1 8.831 -0.648 9.849 1.00 1.40 H new ATOM 0 HG2 MET A 1 6.666 -1.049 10.370 1.00 2.08 H new ATOM 0 HG3 MET A 1 6.552 0.698 10.290 1.00 2.08 H new ATOM 0 HE1 MET A 1 3.159 0.289 8.752 1.00 4.16 H new ATOM 0 HE2 MET A 1 3.643 -1.033 9.841 1.00 4.16 H new ATOM 0 HE3 MET A 1 4.150 0.636 10.189 1.00 4.16 H new ATOM 20 N GLN A 2 8.368 2.859 7.059 1.00 0.79 N ATOM 21 CA GLN A 2 7.583 3.783 6.259 1.00 0.69 C ATOM 22 C GLN A 2 6.804 2.988 5.219 1.00 0.65 C ATOM 23 O GLN A 2 7.309 2.022 4.646 1.00 0.90 O ATOM 24 CB GLN A 2 8.475 4.804 5.536 1.00 0.86 C ATOM 25 CG GLN A 2 7.696 6.120 5.426 1.00 1.02 C ATOM 26 CD GLN A 2 8.406 7.196 4.627 1.00 1.54 C ATOM 27 OE1 GLN A 2 9.406 6.947 3.960 1.00 2.73 O ATOM 28 NE2 GLN A 2 7.885 8.411 4.692 1.00 1.77 N ATOM 0 H GLN A 2 9.335 2.761 6.750 1.00 0.79 H new ATOM 0 HA GLN A 2 6.911 4.327 6.923 1.00 0.69 H new ATOM 0 HB2 GLN A 2 9.404 4.956 6.086 1.00 0.86 H new ATOM 0 HB3 GLN A 2 8.747 4.438 4.546 1.00 0.86 H new ATOM 0 HG2 GLN A 2 6.729 5.920 4.965 1.00 1.02 H new ATOM 0 HG3 GLN A 2 7.499 6.498 6.429 1.00 1.02 H new ATOM 0 HE21 GLN A 2 7.053 8.579 5.257 1.00 1.77 H new ATOM 0 HE22 GLN A 2 8.316 9.179 4.177 1.00 1.77 H new ATOM 37 N THR A 3 5.573 3.432 4.993 1.00 0.68 N ATOM 38 CA THR A 3 4.582 2.771 4.172 1.00 0.63 C ATOM 39 C THR A 3 4.187 3.728 3.041 1.00 0.68 C ATOM 40 O THR A 3 3.489 4.710 3.285 1.00 1.08 O ATOM 41 CB THR A 3 3.421 2.440 5.114 1.00 0.65 C ATOM 42 OG1 THR A 3 3.877 1.601 6.160 1.00 0.83 O ATOM 43 CG2 THR A 3 2.283 1.701 4.430 1.00 0.81 C ATOM 0 H THR A 3 5.229 4.303 5.398 1.00 0.68 H new ATOM 0 HA THR A 3 4.933 1.853 3.700 1.00 0.63 H new ATOM 0 HB THR A 3 3.053 3.399 5.477 1.00 0.65 H new ATOM 0 HG1 THR A 3 3.633 1.993 7.024 1.00 0.83 H new ATOM 0 HG21 THR A 3 1.494 1.498 5.154 1.00 0.81 H new ATOM 0 HG22 THR A 3 1.885 2.314 3.622 1.00 0.81 H new ATOM 0 HG23 THR A 3 2.653 0.760 4.023 1.00 0.81 H new ATOM 51 N VAL A 4 4.653 3.497 1.815 1.00 0.60 N ATOM 52 CA VAL A 4 4.356 4.372 0.686 1.00 0.59 C ATOM 53 C VAL A 4 3.243 3.733 -0.147 1.00 0.62 C ATOM 54 O VAL A 4 3.317 2.545 -0.459 1.00 0.85 O ATOM 55 CB VAL A 4 5.629 4.667 -0.118 1.00 0.83 C ATOM 56 CG1 VAL A 4 5.349 5.715 -1.202 1.00 0.98 C ATOM 57 CG2 VAL A 4 6.707 5.225 0.821 1.00 0.96 C ATOM 0 H VAL A 4 5.245 2.701 1.578 1.00 0.60 H new ATOM 0 HA VAL A 4 3.997 5.341 1.032 1.00 0.59 H new ATOM 0 HB VAL A 4 5.965 3.740 -0.583 1.00 0.83 H new ATOM 0 HG11 VAL A 4 6.263 5.912 -1.762 1.00 0.98 H new ATOM 0 HG12 VAL A 4 4.581 5.341 -1.880 1.00 0.98 H new ATOM 0 HG13 VAL A 4 5.003 6.638 -0.736 1.00 0.98 H new ATOM 0 HG21 VAL A 4 7.612 5.435 0.251 1.00 0.96 H new ATOM 0 HG22 VAL A 4 6.347 6.144 1.283 1.00 0.96 H new ATOM 0 HG23 VAL A 4 6.928 4.492 1.597 1.00 0.96 H new ATOM 67 N ILE A 5 2.195 4.492 -0.468 1.00 0.53 N ATOM 68 CA ILE A 5 0.928 3.985 -0.976 1.00 0.49 C ATOM 69 C ILE A 5 0.770 4.431 -2.418 1.00 0.47 C ATOM 70 O ILE A 5 0.290 5.531 -2.691 1.00 0.89 O ATOM 71 CB ILE A 5 -0.232 4.448 -0.079 1.00 0.57 C ATOM 72 CG1 ILE A 5 0.120 4.088 1.375 1.00 0.85 C ATOM 73 CG2 ILE A 5 -1.575 3.904 -0.605 1.00 0.63 C ATOM 74 CD1 ILE A 5 -1.063 4.140 2.338 1.00 1.38 C ATOM 0 H ILE A 5 2.209 5.508 -0.377 1.00 0.53 H new ATOM 0 HA ILE A 5 0.915 2.895 -0.955 1.00 0.49 H new ATOM 0 HB ILE A 5 -0.368 5.529 -0.104 1.00 0.57 H new ATOM 0 HG12 ILE A 5 0.547 3.085 1.396 1.00 0.85 H new ATOM 0 HG13 ILE A 5 0.892 4.771 1.729 1.00 0.85 H new ATOM 0 HG21 ILE A 5 -2.383 4.242 0.043 1.00 0.63 H new ATOM 0 HG22 ILE A 5 -1.744 4.270 -1.618 1.00 0.63 H new ATOM 0 HG23 ILE A 5 -1.548 2.814 -0.613 1.00 0.63 H new ATOM 0 HD11 ILE A 5 -0.728 3.873 3.340 1.00 1.38 H new ATOM 0 HD12 ILE A 5 -1.478 5.148 2.351 1.00 1.38 H new ATOM 0 HD13 ILE A 5 -1.829 3.436 2.012 1.00 1.38 H new ATOM 86 N PHE A 6 1.177 3.568 -3.338 1.00 0.55 N ATOM 87 CA PHE A 6 1.058 3.805 -4.758 1.00 0.54 C ATOM 88 C PHE A 6 -0.382 3.493 -5.151 1.00 0.74 C ATOM 89 O PHE A 6 -0.995 2.607 -4.562 1.00 1.22 O ATOM 90 CB PHE A 6 2.047 2.896 -5.495 1.00 0.69 C ATOM 91 CG PHE A 6 3.408 3.516 -5.749 1.00 0.90 C ATOM 92 CD1 PHE A 6 4.192 3.960 -4.668 1.00 1.74 C ATOM 93 CD2 PHE A 6 3.853 3.735 -7.068 1.00 1.43 C ATOM 94 CE1 PHE A 6 5.413 4.615 -4.906 1.00 2.16 C ATOM 95 CE2 PHE A 6 5.065 4.405 -7.304 1.00 1.77 C ATOM 96 CZ PHE A 6 5.851 4.837 -6.223 1.00 1.88 C ATOM 0 H PHE A 6 1.605 2.671 -3.109 1.00 0.55 H new ATOM 0 HA PHE A 6 1.290 4.837 -5.020 1.00 0.54 H new ATOM 0 HB2 PHE A 6 2.181 1.982 -4.916 1.00 0.69 H new ATOM 0 HB3 PHE A 6 1.611 2.606 -6.451 1.00 0.69 H new ATOM 0 HD1 PHE A 6 3.855 3.797 -3.655 1.00 1.74 H new ATOM 0 HD2 PHE A 6 3.260 3.386 -7.901 1.00 1.43 H new ATOM 0 HE1 PHE A 6 6.016 4.949 -4.075 1.00 2.16 H new ATOM 0 HE2 PHE A 6 5.392 4.588 -8.317 1.00 1.77 H new ATOM 0 HZ PHE A 6 6.790 5.339 -6.403 1.00 1.88 H new ATOM 106 N GLY A 7 -0.928 4.182 -6.148 1.00 1.14 N ATOM 107 CA GLY A 7 -2.279 3.917 -6.619 1.00 1.58 C ATOM 108 C GLY A 7 -2.916 5.209 -7.109 1.00 1.53 C ATOM 109 O GLY A 7 -2.250 6.019 -7.745 1.00 3.01 O ATOM 0 H GLY A 7 -0.450 4.932 -6.647 1.00 1.14 H new ATOM 0 HA2 GLY A 7 -2.256 3.184 -7.425 1.00 1.58 H new ATOM 0 HA3 GLY A 7 -2.877 3.488 -5.815 1.00 1.58 H new ATOM 113 N ARG A 8 -4.205 5.398 -6.838 1.00 1.49 N ATOM 114 CA ARG A 8 -4.868 6.689 -7.003 1.00 2.77 C ATOM 115 C ARG A 8 -6.070 6.815 -6.086 1.00 2.63 C ATOM 116 O ARG A 8 -6.332 7.846 -5.469 1.00 4.01 O ATOM 117 CB ARG A 8 -5.201 7.030 -8.466 1.00 4.18 C ATOM 118 CG ARG A 8 -5.904 5.959 -9.317 1.00 4.77 C ATOM 119 CD ARG A 8 -4.911 5.174 -10.189 1.00 5.59 C ATOM 120 NE ARG A 8 -5.582 4.317 -11.185 1.00 6.83 N ATOM 121 CZ ARG A 8 -6.055 4.728 -12.375 1.00 8.07 C ATOM 122 NH1 ARG A 8 -5.966 6.011 -12.725 1.00 8.23 N ATOM 123 NH2 ARG A 8 -6.608 3.859 -13.213 1.00 9.55 N ATOM 0 H ARG A 8 -4.820 4.659 -6.497 1.00 1.49 H new ATOM 0 HA ARG A 8 -4.144 7.445 -6.698 1.00 2.77 H new ATOM 0 HB2 ARG A 8 -5.829 7.921 -8.466 1.00 4.18 H new ATOM 0 HB3 ARG A 8 -4.270 7.296 -8.967 1.00 4.18 H new ATOM 0 HG2 ARG A 8 -6.437 5.269 -8.663 1.00 4.77 H new ATOM 0 HG3 ARG A 8 -6.650 6.434 -9.955 1.00 4.77 H new ATOM 0 HD2 ARG A 8 -4.253 5.874 -10.703 1.00 5.59 H new ATOM 0 HD3 ARG A 8 -4.282 4.556 -9.549 1.00 5.59 H new ATOM 0 HE ARG A 8 -5.697 3.331 -10.952 1.00 6.83 H new ATOM 0 HH11 ARG A 8 -5.538 6.684 -12.090 1.00 8.23 H new ATOM 0 HH12 ARG A 8 -6.326 6.319 -13.628 1.00 8.23 H new ATOM 0 HH21 ARG A 8 -6.676 2.874 -12.955 1.00 9.55 H new ATOM 0 HH22 ARG A 8 -6.965 4.176 -14.114 1.00 9.55 H new ATOM 137 N SER A 9 -6.760 5.700 -5.987 1.00 1.96 N ATOM 138 CA SER A 9 -7.840 5.429 -5.065 1.00 2.33 C ATOM 139 C SER A 9 -8.058 3.922 -5.104 1.00 2.65 C ATOM 140 O SER A 9 -7.480 3.177 -4.318 1.00 3.96 O ATOM 141 CB SER A 9 -9.090 6.220 -5.474 1.00 3.02 C ATOM 142 OG SER A 9 -9.330 6.112 -6.870 1.00 3.49 O ATOM 0 H SER A 9 -6.567 4.902 -6.592 1.00 1.96 H new ATOM 0 HA SER A 9 -7.610 5.743 -4.047 1.00 2.33 H new ATOM 0 HB2 SER A 9 -9.955 5.849 -4.924 1.00 3.02 H new ATOM 0 HB3 SER A 9 -8.965 7.268 -5.203 1.00 3.02 H new ATOM 0 HG SER A 9 -10.133 6.623 -7.104 1.00 3.49 H new ATOM 148 N GLY A 10 -8.822 3.482 -6.097 1.00 2.52 N ATOM 149 CA GLY A 10 -9.210 2.103 -6.288 1.00 3.49 C ATOM 150 C GLY A 10 -10.691 1.973 -5.979 1.00 2.34 C ATOM 151 O GLY A 10 -11.508 2.706 -6.539 1.00 2.48 O ATOM 0 H GLY A 10 -9.198 4.104 -6.813 1.00 2.52 H new ATOM 0 HA2 GLY A 10 -9.008 1.791 -7.313 1.00 3.49 H new ATOM 0 HA3 GLY A 10 -8.628 1.452 -5.636 1.00 3.49 H new ATOM 155 N CYS A 11 -11.052 1.069 -5.082 1.00 2.32 N ATOM 156 CA CYS A 11 -12.422 0.688 -4.757 1.00 1.37 C ATOM 157 C CYS A 11 -12.543 0.780 -3.242 1.00 1.19 C ATOM 158 O CYS A 11 -11.519 0.675 -2.583 1.00 1.42 O ATOM 159 CB CYS A 11 -12.631 -0.746 -5.241 1.00 1.33 C ATOM 160 SG CYS A 11 -13.293 -0.876 -6.911 1.00 1.84 S ATOM 0 H CYS A 11 -10.365 0.554 -4.532 1.00 2.32 H new ATOM 0 HA CYS A 11 -13.170 1.326 -5.228 1.00 1.37 H new ATOM 0 HB2 CYS A 11 -11.678 -1.274 -5.198 1.00 1.33 H new ATOM 0 HB3 CYS A 11 -13.308 -1.254 -4.554 1.00 1.33 H new ATOM 0 HG CYS A 11 -13.431 -2.130 -7.227 1.00 1.84 H new ATOM 165 N PRO A 12 -13.733 0.982 -2.660 1.00 0.97 N ATOM 166 CA PRO A 12 -13.891 1.248 -1.235 1.00 0.92 C ATOM 167 C PRO A 12 -13.137 0.240 -0.364 1.00 0.91 C ATOM 168 O PRO A 12 -12.372 0.628 0.517 1.00 0.97 O ATOM 169 CB PRO A 12 -15.403 1.258 -0.970 1.00 1.01 C ATOM 170 CG PRO A 12 -16.017 0.621 -2.220 1.00 1.07 C ATOM 171 CD PRO A 12 -15.018 0.961 -3.321 1.00 1.04 C ATOM 0 HA PRO A 12 -13.450 2.207 -0.964 1.00 0.92 H new ATOM 0 HB2 PRO A 12 -15.652 0.691 -0.073 1.00 1.01 H new ATOM 0 HB3 PRO A 12 -15.773 2.272 -0.819 1.00 1.01 H new ATOM 0 HG2 PRO A 12 -16.135 -0.456 -2.104 1.00 1.07 H new ATOM 0 HG3 PRO A 12 -17.005 1.029 -2.434 1.00 1.07 H new ATOM 0 HD2 PRO A 12 -15.040 0.218 -4.119 1.00 1.04 H new ATOM 0 HD3 PRO A 12 -15.244 1.925 -3.777 1.00 1.04 H new ATOM 179 N TYR A 13 -13.334 -1.048 -0.637 1.00 0.98 N ATOM 180 CA TYR A 13 -12.616 -2.131 0.016 1.00 1.09 C ATOM 181 C TYR A 13 -11.101 -1.947 -0.098 1.00 1.12 C ATOM 182 O TYR A 13 -10.395 -1.971 0.901 1.00 1.29 O ATOM 183 CB TYR A 13 -13.052 -3.446 -0.624 1.00 1.21 C ATOM 184 CG TYR A 13 -12.341 -4.673 -0.107 1.00 1.10 C ATOM 185 CD1 TYR A 13 -12.754 -5.269 1.097 1.00 2.20 C ATOM 186 CD2 TYR A 13 -11.300 -5.250 -0.857 1.00 2.41 C ATOM 187 CE1 TYR A 13 -12.162 -6.469 1.521 1.00 2.24 C ATOM 188 CE2 TYR A 13 -10.704 -6.443 -0.423 1.00 3.12 C ATOM 189 CZ TYR A 13 -11.128 -7.046 0.770 1.00 2.31 C ATOM 190 OH TYR A 13 -10.709 -8.300 1.079 1.00 3.04 O ATOM 0 H TYR A 13 -14.009 -1.370 -1.330 1.00 0.98 H new ATOM 0 HA TYR A 13 -12.854 -2.135 1.080 1.00 1.09 H new ATOM 0 HB2 TYR A 13 -14.123 -3.572 -0.467 1.00 1.21 H new ATOM 0 HB3 TYR A 13 -12.894 -3.379 -1.700 1.00 1.21 H new ATOM 0 HD1 TYR A 13 -13.525 -4.805 1.694 1.00 2.20 H new ATOM 0 HD2 TYR A 13 -10.960 -4.775 -1.766 1.00 2.41 H new ATOM 0 HE1 TYR A 13 -12.503 -6.948 2.427 1.00 2.24 H new ATOM 0 HE2 TYR A 13 -9.918 -6.898 -1.008 1.00 3.12 H new ATOM 0 HH TYR A 13 -10.837 -8.888 0.305 1.00 3.04 H new ATOM 200 N SER A 14 -10.582 -1.749 -1.305 1.00 1.18 N ATOM 201 CA SER A 14 -9.161 -1.669 -1.558 1.00 1.41 C ATOM 202 C SER A 14 -8.596 -0.444 -0.815 1.00 1.18 C ATOM 203 O SER A 14 -7.551 -0.498 -0.173 1.00 1.18 O ATOM 204 CB SER A 14 -9.025 -1.637 -3.082 1.00 1.76 C ATOM 205 OG SER A 14 -8.964 -0.366 -3.695 1.00 1.72 O ATOM 0 H SER A 14 -11.152 -1.639 -2.144 1.00 1.18 H new ATOM 0 HA SER A 14 -8.578 -2.510 -1.184 1.00 1.41 H new ATOM 0 HB2 SER A 14 -8.124 -2.187 -3.353 1.00 1.76 H new ATOM 0 HB3 SER A 14 -9.869 -2.178 -3.509 1.00 1.76 H new ATOM 0 HG SER A 14 -8.212 -0.341 -4.322 1.00 1.72 H new ATOM 211 N VAL A 15 -9.340 0.658 -0.850 1.00 1.06 N ATOM 212 CA VAL A 15 -9.075 1.903 -0.138 1.00 0.93 C ATOM 213 C VAL A 15 -9.046 1.709 1.386 1.00 0.65 C ATOM 214 O VAL A 15 -8.381 2.497 2.065 1.00 0.52 O ATOM 215 CB VAL A 15 -10.068 2.990 -0.602 1.00 1.04 C ATOM 216 CG1 VAL A 15 -10.013 4.269 0.248 1.00 1.07 C ATOM 217 CG2 VAL A 15 -9.770 3.388 -2.054 1.00 1.40 C ATOM 0 H VAL A 15 -10.192 0.708 -1.408 1.00 1.06 H new ATOM 0 HA VAL A 15 -8.072 2.246 -0.391 1.00 0.93 H new ATOM 0 HB VAL A 15 -11.060 2.550 -0.497 1.00 1.04 H new ATOM 0 HG11 VAL A 15 -10.736 4.990 -0.133 1.00 1.07 H new ATOM 0 HG12 VAL A 15 -10.252 4.028 1.284 1.00 1.07 H new ATOM 0 HG13 VAL A 15 -9.012 4.697 0.197 1.00 1.07 H new ATOM 0 HG21 VAL A 15 -10.475 4.155 -2.373 1.00 1.40 H new ATOM 0 HG22 VAL A 15 -8.754 3.777 -2.123 1.00 1.40 H new ATOM 0 HG23 VAL A 15 -9.868 2.514 -2.698 1.00 1.40 H new ATOM 227 N ARG A 16 -9.674 0.664 1.947 1.00 0.68 N ATOM 228 CA ARG A 16 -9.452 0.334 3.356 1.00 0.62 C ATOM 229 C ARG A 16 -7.955 0.260 3.646 1.00 0.52 C ATOM 230 O ARG A 16 -7.549 0.594 4.747 1.00 0.54 O ATOM 231 CB ARG A 16 -10.052 -1.015 3.777 1.00 0.96 C ATOM 232 CG ARG A 16 -11.581 -1.119 3.830 1.00 1.08 C ATOM 233 CD ARG A 16 -12.093 -0.949 5.269 1.00 1.68 C ATOM 234 NE ARG A 16 -11.940 0.442 5.722 1.00 2.86 N ATOM 235 CZ ARG A 16 -11.270 0.915 6.784 1.00 4.27 C ATOM 236 NH1 ARG A 16 -10.692 0.118 7.680 1.00 4.65 N ATOM 237 NH2 ARG A 16 -11.184 2.233 6.919 1.00 6.04 N ATOM 0 H ARG A 16 -10.324 0.048 1.458 1.00 0.68 H new ATOM 0 HA ARG A 16 -9.947 1.126 3.918 1.00 0.62 H new ATOM 0 HB2 ARG A 16 -9.686 -1.777 3.088 1.00 0.96 H new ATOM 0 HB3 ARG A 16 -9.663 -1.264 4.764 1.00 0.96 H new ATOM 0 HG2 ARG A 16 -12.024 -0.356 3.190 1.00 1.08 H new ATOM 0 HG3 ARG A 16 -11.897 -2.086 3.439 1.00 1.08 H new ATOM 0 HD2 ARG A 16 -13.142 -1.239 5.322 1.00 1.68 H new ATOM 0 HD3 ARG A 16 -11.544 -1.615 5.935 1.00 1.68 H new ATOM 0 HE ARG A 16 -12.408 1.144 5.149 1.00 2.86 H new ATOM 0 HH11 ARG A 16 -10.749 -0.895 7.573 1.00 4.65 H new ATOM 0 HH12 ARG A 16 -10.192 0.520 8.473 1.00 4.65 H new ATOM 0 HH21 ARG A 16 -11.619 2.846 6.229 1.00 6.04 H new ATOM 0 HH22 ARG A 16 -10.683 2.633 7.713 1.00 6.04 H new ATOM 251 N ALA A 17 -7.131 -0.180 2.691 1.00 0.59 N ATOM 252 CA ALA A 17 -5.692 -0.270 2.891 1.00 0.57 C ATOM 253 C ALA A 17 -5.126 1.095 3.260 1.00 0.48 C ATOM 254 O ALA A 17 -4.312 1.224 4.172 1.00 0.48 O ATOM 255 CB ALA A 17 -4.999 -0.759 1.617 1.00 0.61 C ATOM 0 H ALA A 17 -7.444 -0.480 1.768 1.00 0.59 H new ATOM 0 HA ALA A 17 -5.510 -0.979 3.699 1.00 0.57 H new ATOM 0 HB1 ALA A 17 -3.924 -0.819 1.788 1.00 0.61 H new ATOM 0 HB2 ALA A 17 -5.380 -1.745 1.351 1.00 0.61 H new ATOM 0 HB3 ALA A 17 -5.199 -0.061 0.804 1.00 0.61 H new ATOM 261 N LYS A 18 -5.541 2.113 2.504 1.00 0.47 N ATOM 262 CA LYS A 18 -5.023 3.456 2.652 1.00 0.50 C ATOM 263 C LYS A 18 -5.469 3.877 4.051 1.00 0.47 C ATOM 264 O LYS A 18 -4.640 4.188 4.905 1.00 0.57 O ATOM 265 CB LYS A 18 -5.538 4.320 1.474 1.00 0.70 C ATOM 266 CG LYS A 18 -5.402 5.856 1.516 1.00 1.06 C ATOM 267 CD LYS A 18 -6.381 6.597 2.432 1.00 1.53 C ATOM 268 CE LYS A 18 -6.155 8.108 2.604 1.00 1.53 C ATOM 269 NZ LYS A 18 -5.895 8.846 1.352 1.00 1.86 N ATOM 0 H LYS A 18 -6.247 2.020 1.774 1.00 0.47 H new ATOM 0 HA LYS A 18 -3.940 3.560 2.593 1.00 0.50 H new ATOM 0 HB2 LYS A 18 -5.028 3.976 0.574 1.00 0.70 H new ATOM 0 HB3 LYS A 18 -6.597 4.093 1.347 1.00 0.70 H new ATOM 0 HG2 LYS A 18 -4.387 6.102 1.829 1.00 1.06 H new ATOM 0 HG3 LYS A 18 -5.524 6.239 0.503 1.00 1.06 H new ATOM 0 HD2 LYS A 18 -7.389 6.445 2.047 1.00 1.53 H new ATOM 0 HD3 LYS A 18 -6.343 6.133 3.417 1.00 1.53 H new ATOM 0 HE2 LYS A 18 -7.032 8.539 3.087 1.00 1.53 H new ATOM 0 HE3 LYS A 18 -5.313 8.260 3.279 1.00 1.53 H new ATOM 0 HZ1 LYS A 18 -5.755 9.854 1.566 1.00 1.86 H new ATOM 0 HZ2 LYS A 18 -5.040 8.467 0.897 1.00 1.86 H new ATOM 0 HZ3 LYS A 18 -6.706 8.737 0.710 1.00 1.86 H new ATOM 283 N ASP A 19 -6.778 3.854 4.310 1.00 0.46 N ATOM 284 CA ASP A 19 -7.269 4.322 5.603 1.00 0.66 C ATOM 285 C ASP A 19 -6.576 3.603 6.756 1.00 0.63 C ATOM 286 O ASP A 19 -6.108 4.242 7.687 1.00 0.74 O ATOM 287 CB ASP A 19 -8.777 4.157 5.751 1.00 0.93 C ATOM 288 CG ASP A 19 -9.185 4.781 7.072 1.00 1.54 C ATOM 289 OD1 ASP A 19 -9.186 6.024 7.159 1.00 3.10 O ATOM 290 OD2 ASP A 19 -9.496 4.030 8.023 1.00 1.70 O ATOM 0 H ASP A 19 -7.496 3.527 3.663 1.00 0.46 H new ATOM 0 HA ASP A 19 -7.034 5.386 5.641 1.00 0.66 H new ATOM 0 HB2 ASP A 19 -9.297 4.640 4.924 1.00 0.93 H new ATOM 0 HB3 ASP A 19 -9.050 3.102 5.727 1.00 0.93 H new ATOM 295 N LEU A 20 -6.504 2.280 6.666 1.00 0.57 N ATOM 296 CA LEU A 20 -5.829 1.417 7.621 1.00 0.57 C ATOM 297 C LEU A 20 -4.421 1.924 7.896 1.00 0.42 C ATOM 298 O LEU A 20 -4.062 2.117 9.044 1.00 0.45 O ATOM 299 CB LEU A 20 -5.801 -0.029 7.108 1.00 0.64 C ATOM 300 CG LEU A 20 -5.092 -1.021 8.044 1.00 0.71 C ATOM 301 CD1 LEU A 20 -5.665 -0.993 9.462 1.00 1.78 C ATOM 302 CD2 LEU A 20 -5.239 -2.447 7.509 1.00 1.54 C ATOM 0 H LEU A 20 -6.930 1.763 5.897 1.00 0.57 H new ATOM 0 HA LEU A 20 -6.384 1.435 8.559 1.00 0.57 H new ATOM 0 HB2 LEU A 20 -6.826 -0.366 6.950 1.00 0.64 H new ATOM 0 HB3 LEU A 20 -5.306 -0.048 6.137 1.00 0.64 H new ATOM 0 HG LEU A 20 -4.045 -0.720 8.079 1.00 0.71 H new ATOM 0 HD11 LEU A 20 -5.131 -1.711 10.084 1.00 1.78 H new ATOM 0 HD12 LEU A 20 -5.550 0.007 9.881 1.00 1.78 H new ATOM 0 HD13 LEU A 20 -6.723 -1.255 9.432 1.00 1.78 H new ATOM 0 HD21 LEU A 20 -4.733 -3.141 8.180 1.00 1.54 H new ATOM 0 HD22 LEU A 20 -6.296 -2.706 7.449 1.00 1.54 H new ATOM 0 HD23 LEU A 20 -4.793 -2.511 6.517 1.00 1.54 H new ATOM 314 N ALA A 21 -3.615 2.132 6.858 1.00 0.35 N ATOM 315 CA ALA A 21 -2.254 2.644 7.025 1.00 0.37 C ATOM 316 C ALA A 21 -2.260 3.941 7.828 1.00 0.45 C ATOM 317 O ALA A 21 -1.490 4.070 8.769 1.00 0.52 O ATOM 318 CB ALA A 21 -1.605 2.883 5.658 1.00 0.45 C ATOM 0 H ALA A 21 -3.880 1.954 5.889 1.00 0.35 H new ATOM 0 HA ALA A 21 -1.675 1.899 7.570 1.00 0.37 H new ATOM 0 HB1 ALA A 21 -0.593 3.264 5.797 1.00 0.45 H new ATOM 0 HB2 ALA A 21 -1.567 1.945 5.104 1.00 0.45 H new ATOM 0 HB3 ALA A 21 -2.193 3.611 5.098 1.00 0.45 H new ATOM 324 N GLU A 22 -3.115 4.895 7.458 1.00 0.55 N ATOM 325 CA GLU A 22 -3.166 6.185 8.134 1.00 0.72 C ATOM 326 C GLU A 22 -3.517 5.969 9.609 1.00 0.67 C ATOM 327 O GLU A 22 -2.848 6.468 10.512 1.00 0.72 O ATOM 328 CB GLU A 22 -4.163 7.084 7.387 1.00 0.91 C ATOM 329 CG GLU A 22 -4.392 8.453 8.033 1.00 1.10 C ATOM 330 CD GLU A 22 -4.723 9.466 6.964 1.00 2.10 C ATOM 331 OE1 GLU A 22 -5.802 9.349 6.343 1.00 2.45 O ATOM 332 OE2 GLU A 22 -3.860 10.318 6.663 1.00 3.37 O ATOM 0 H GLU A 22 -3.781 4.795 6.692 1.00 0.55 H new ATOM 0 HA GLU A 22 -2.200 6.690 8.119 1.00 0.72 H new ATOM 0 HB2 GLU A 22 -3.806 7.233 6.368 1.00 0.91 H new ATOM 0 HB3 GLU A 22 -5.119 6.565 7.317 1.00 0.91 H new ATOM 0 HG2 GLU A 22 -5.205 8.394 8.757 1.00 1.10 H new ATOM 0 HG3 GLU A 22 -3.501 8.763 8.579 1.00 1.10 H new ATOM 339 N LYS A 23 -4.565 5.185 9.834 1.00 0.64 N ATOM 340 CA LYS A 23 -5.036 4.800 11.144 1.00 0.62 C ATOM 341 C LYS A 23 -3.873 4.232 11.956 1.00 0.56 C ATOM 342 O LYS A 23 -3.593 4.712 13.046 1.00 0.63 O ATOM 343 CB LYS A 23 -6.182 3.793 10.964 1.00 0.81 C ATOM 344 CG LYS A 23 -7.166 3.807 12.126 1.00 1.51 C ATOM 345 CD LYS A 23 -6.593 3.183 13.399 1.00 2.91 C ATOM 346 CE LYS A 23 -7.682 3.104 14.467 1.00 3.52 C ATOM 347 NZ LYS A 23 -8.257 4.423 14.776 1.00 4.16 N ATOM 0 H LYS A 23 -5.124 4.790 9.078 1.00 0.64 H new ATOM 0 HA LYS A 23 -5.420 5.656 11.699 1.00 0.62 H new ATOM 0 HB2 LYS A 23 -6.715 4.017 10.040 1.00 0.81 H new ATOM 0 HB3 LYS A 23 -5.766 2.791 10.858 1.00 0.81 H new ATOM 0 HG2 LYS A 23 -7.461 4.836 12.333 1.00 1.51 H new ATOM 0 HG3 LYS A 23 -8.068 3.268 11.838 1.00 1.51 H new ATOM 0 HD2 LYS A 23 -6.206 2.187 13.185 1.00 2.91 H new ATOM 0 HD3 LYS A 23 -5.756 3.778 13.763 1.00 2.91 H new ATOM 0 HE2 LYS A 23 -8.473 2.436 14.127 1.00 3.52 H new ATOM 0 HE3 LYS A 23 -7.266 2.669 15.376 1.00 3.52 H new ATOM 0 HZ1 LYS A 23 -8.838 4.356 15.636 1.00 4.16 H new ATOM 0 HZ2 LYS A 23 -7.490 5.109 14.928 1.00 4.16 H new ATOM 0 HZ3 LYS A 23 -8.850 4.738 13.982 1.00 4.16 H new ATOM 361 N LEU A 24 -3.188 3.233 11.413 1.00 0.51 N ATOM 362 CA LEU A 24 -2.050 2.574 12.020 1.00 0.55 C ATOM 363 C LEU A 24 -0.953 3.590 12.317 1.00 0.62 C ATOM 364 O LEU A 24 -0.420 3.590 13.420 1.00 0.70 O ATOM 365 CB LEU A 24 -1.567 1.442 11.096 1.00 0.57 C ATOM 366 CG LEU A 24 -2.445 0.182 11.147 1.00 0.67 C ATOM 367 CD1 LEU A 24 -1.946 -0.807 10.089 1.00 0.86 C ATOM 368 CD2 LEU A 24 -2.405 -0.512 12.515 1.00 0.89 C ATOM 0 H LEU A 24 -3.425 2.848 10.499 1.00 0.51 H new ATOM 0 HA LEU A 24 -2.336 2.128 12.973 1.00 0.55 H new ATOM 0 HB2 LEU A 24 -1.536 1.811 10.071 1.00 0.57 H new ATOM 0 HB3 LEU A 24 -0.546 1.174 11.369 1.00 0.57 H new ATOM 0 HG LEU A 24 -3.473 0.492 10.960 1.00 0.67 H new ATOM 0 HD11 LEU A 24 -2.560 -1.707 10.114 1.00 0.86 H new ATOM 0 HD12 LEU A 24 -2.013 -0.349 9.102 1.00 0.86 H new ATOM 0 HD13 LEU A 24 -0.909 -1.070 10.297 1.00 0.86 H new ATOM 0 HD21 LEU A 24 -3.043 -1.395 12.494 1.00 0.89 H new ATOM 0 HD22 LEU A 24 -1.381 -0.809 12.742 1.00 0.89 H new ATOM 0 HD23 LEU A 24 -2.762 0.175 13.282 1.00 0.89 H new ATOM 380 N SER A 25 -0.601 4.484 11.396 1.00 0.72 N ATOM 381 CA SER A 25 0.344 5.549 11.708 1.00 0.80 C ATOM 382 C SER A 25 -0.098 6.325 12.955 1.00 0.98 C ATOM 383 O SER A 25 0.737 6.864 13.677 1.00 1.28 O ATOM 384 CB SER A 25 0.533 6.465 10.496 1.00 0.80 C ATOM 385 OG SER A 25 0.921 5.708 9.363 1.00 1.64 O ATOM 0 H SER A 25 -0.952 4.492 10.438 1.00 0.72 H new ATOM 0 HA SER A 25 1.312 5.104 11.938 1.00 0.80 H new ATOM 0 HB2 SER A 25 -0.395 6.997 10.286 1.00 0.80 H new ATOM 0 HB3 SER A 25 1.290 7.218 10.715 1.00 0.80 H new ATOM 0 HG SER A 25 1.205 4.814 9.648 1.00 1.64 H new ATOM 391 N ASN A 26 -1.403 6.351 13.226 1.00 0.97 N ATOM 392 CA ASN A 26 -2.015 7.015 14.364 1.00 1.11 C ATOM 393 C ASN A 26 -2.457 6.032 15.464 1.00 1.20 C ATOM 394 O ASN A 26 -3.327 6.371 16.271 1.00 2.08 O ATOM 395 CB ASN A 26 -3.244 7.791 13.889 1.00 1.19 C ATOM 396 CG ASN A 26 -3.028 8.690 12.672 1.00 1.56 C ATOM 397 OD1 ASN A 26 -1.912 9.090 12.337 1.00 2.49 O ATOM 398 ND2 ASN A 26 -4.108 9.021 11.975 1.00 1.66 N ATOM 0 H ASN A 26 -2.088 5.888 12.628 1.00 0.97 H new ATOM 0 HA ASN A 26 -1.262 7.677 14.791 1.00 1.11 H new ATOM 0 HB2 ASN A 26 -4.034 7.077 13.655 1.00 1.19 H new ATOM 0 HB3 ASN A 26 -3.604 8.406 14.714 1.00 1.19 H new ATOM 0 HD21 ASN A 26 -4.020 9.614 11.150 1.00 1.66 H new ATOM 0 HD22 ASN A 26 -5.025 8.682 12.265 1.00 1.66 H new ATOM 405 N GLU A 27 -1.920 4.813 15.492 1.00 1.18 N ATOM 406 CA GLU A 27 -2.043 3.860 16.603 1.00 1.28 C ATOM 407 C GLU A 27 -0.799 2.971 16.810 1.00 1.63 C ATOM 408 O GLU A 27 -0.768 2.143 17.725 1.00 2.34 O ATOM 409 CB GLU A 27 -3.358 3.060 16.551 1.00 1.31 C ATOM 410 CG GLU A 27 -3.575 2.093 15.386 1.00 1.90 C ATOM 411 CD GLU A 27 -4.812 1.233 15.591 1.00 2.30 C ATOM 412 OE1 GLU A 27 -5.549 1.463 16.567 1.00 2.48 O ATOM 413 OE2 GLU A 27 -5.086 0.330 14.768 1.00 3.43 O ATOM 0 H GLU A 27 -1.368 4.446 14.717 1.00 1.18 H new ATOM 0 HA GLU A 27 -2.093 4.473 17.503 1.00 1.28 H new ATOM 0 HB2 GLU A 27 -3.436 2.488 17.476 1.00 1.31 H new ATOM 0 HB3 GLU A 27 -4.181 3.774 16.547 1.00 1.31 H new ATOM 0 HG2 GLU A 27 -3.674 2.657 14.459 1.00 1.90 H new ATOM 0 HG3 GLU A 27 -2.700 1.452 15.278 1.00 1.90 H new ATOM 420 N ARG A 28 0.229 3.114 15.977 1.00 1.34 N ATOM 421 CA ARG A 28 1.498 2.414 16.095 1.00 1.78 C ATOM 422 C ARG A 28 2.487 3.244 16.913 1.00 2.38 C ATOM 423 O ARG A 28 2.148 4.279 17.481 1.00 2.87 O ATOM 424 CB ARG A 28 2.057 2.122 14.693 1.00 1.35 C ATOM 425 CG ARG A 28 1.293 0.991 13.984 1.00 1.83 C ATOM 426 CD ARG A 28 2.282 0.098 13.222 1.00 2.43 C ATOM 427 NE ARG A 28 3.084 -0.645 14.199 1.00 2.53 N ATOM 428 CZ ARG A 28 4.248 -1.279 14.012 1.00 4.03 C ATOM 429 NH1 ARG A 28 4.825 -1.320 12.809 1.00 5.45 N ATOM 430 NH2 ARG A 28 4.794 -1.891 15.048 1.00 4.72 N ATOM 0 H ARG A 28 0.196 3.743 15.175 1.00 1.34 H new ATOM 0 HA ARG A 28 1.342 1.468 16.614 1.00 1.78 H new ATOM 0 HB2 ARG A 28 2.005 3.027 14.088 1.00 1.35 H new ATOM 0 HB3 ARG A 28 3.110 1.852 14.773 1.00 1.35 H new ATOM 0 HG2 ARG A 28 0.741 0.399 14.714 1.00 1.83 H new ATOM 0 HG3 ARG A 28 0.561 1.410 13.294 1.00 1.83 H new ATOM 0 HD2 ARG A 28 1.746 -0.591 12.570 1.00 2.43 H new ATOM 0 HD3 ARG A 28 2.926 0.704 12.585 1.00 2.43 H new ATOM 0 HE ARG A 28 2.705 -0.684 15.145 1.00 2.53 H new ATOM 0 HH11 ARG A 28 4.379 -0.863 12.014 1.00 5.45 H new ATOM 0 HH12 ARG A 28 5.712 -1.808 12.685 1.00 5.45 H new ATOM 0 HH21 ARG A 28 4.329 -1.871 15.956 1.00 4.72 H new ATOM 0 HH22 ARG A 28 5.681 -2.384 14.940 1.00 4.72 H new ATOM 444 N ASP A 29 3.728 2.769 16.948 1.00 2.82 N ATOM 445 CA ASP A 29 4.853 3.383 17.619 1.00 3.55 C ATOM 446 C ASP A 29 5.206 4.741 17.007 1.00 1.98 C ATOM 447 O ASP A 29 5.130 5.762 17.693 1.00 2.45 O ATOM 448 CB ASP A 29 6.018 2.397 17.502 1.00 5.25 C ATOM 449 CG ASP A 29 7.331 2.999 17.928 1.00 5.87 C ATOM 450 OD1 ASP A 29 7.390 3.529 19.057 1.00 6.05 O ATOM 451 OD2 ASP A 29 8.291 2.860 17.148 1.00 6.99 O ATOM 0 H ASP A 29 3.982 1.898 16.482 1.00 2.82 H new ATOM 0 HA ASP A 29 4.615 3.585 18.663 1.00 3.55 H new ATOM 0 HB2 ASP A 29 5.809 1.519 18.114 1.00 5.25 H new ATOM 0 HB3 ASP A 29 6.097 2.055 16.470 1.00 5.25 H new ATOM 456 N ASP A 30 5.625 4.761 15.736 1.00 0.92 N ATOM 457 CA ASP A 30 6.273 5.948 15.176 1.00 1.47 C ATOM 458 C ASP A 30 6.098 6.192 13.679 1.00 1.66 C ATOM 459 O ASP A 30 6.556 7.233 13.209 1.00 2.21 O ATOM 460 CB ASP A 30 7.763 6.000 15.571 1.00 2.77 C ATOM 461 CG ASP A 30 8.765 5.402 14.598 1.00 3.36 C ATOM 462 OD1 ASP A 30 8.390 4.769 13.589 1.00 3.57 O ATOM 463 OD2 ASP A 30 9.967 5.642 14.834 1.00 4.61 O ATOM 0 H ASP A 30 5.528 3.981 15.086 1.00 0.92 H new ATOM 0 HA ASP A 30 5.727 6.773 15.633 1.00 1.47 H new ATOM 0 HB2 ASP A 30 8.032 7.044 15.733 1.00 2.77 H new ATOM 0 HB3 ASP A 30 7.876 5.489 16.527 1.00 2.77 H new ATOM 468 N PHE A 31 5.507 5.282 12.900 1.00 1.31 N ATOM 469 CA PHE A 31 5.743 5.331 11.473 1.00 1.27 C ATOM 470 C PHE A 31 4.822 6.331 10.788 1.00 1.18 C ATOM 471 O PHE A 31 3.672 6.506 11.183 1.00 1.27 O ATOM 472 CB PHE A 31 5.607 3.932 10.873 1.00 1.24 C ATOM 473 CG PHE A 31 4.224 3.528 10.389 1.00 0.98 C ATOM 474 CD1 PHE A 31 3.268 3.128 11.328 1.00 1.97 C ATOM 475 CD2 PHE A 31 3.893 3.563 9.022 1.00 2.36 C ATOM 476 CE1 PHE A 31 2.015 2.673 10.895 1.00 2.09 C ATOM 477 CE2 PHE A 31 2.620 3.144 8.601 1.00 2.33 C ATOM 478 CZ PHE A 31 1.688 2.672 9.534 1.00 1.20 C ATOM 0 H PHE A 31 4.890 4.537 13.223 1.00 1.31 H new ATOM 0 HA PHE A 31 6.762 5.679 11.302 1.00 1.27 H new ATOM 0 HB2 PHE A 31 6.298 3.853 10.033 1.00 1.24 H new ATOM 0 HB3 PHE A 31 5.931 3.208 11.621 1.00 1.24 H new ATOM 0 HD1 PHE A 31 3.494 3.170 12.383 1.00 1.97 H new ATOM 0 HD2 PHE A 31 4.615 3.911 8.299 1.00 2.36 H new ATOM 0 HE1 PHE A 31 1.295 2.320 11.618 1.00 2.09 H new ATOM 0 HE2 PHE A 31 2.359 3.186 7.554 1.00 2.33 H new ATOM 0 HZ PHE A 31 0.725 2.310 9.206 1.00 1.20 H new ATOM 488 N GLN A 32 5.349 6.981 9.750 1.00 1.22 N ATOM 489 CA GLN A 32 4.563 7.780 8.834 1.00 1.11 C ATOM 490 C GLN A 32 4.301 6.907 7.618 1.00 0.86 C ATOM 491 O GLN A 32 5.182 6.161 7.190 1.00 1.19 O ATOM 492 CB GLN A 32 5.334 9.033 8.401 1.00 1.28 C ATOM 493 CG GLN A 32 5.716 9.930 9.588 1.00 1.52 C ATOM 494 CD GLN A 32 7.083 9.566 10.145 1.00 2.27 C ATOM 495 OE1 GLN A 32 7.200 8.950 11.195 1.00 3.26 O ATOM 496 NE2 GLN A 32 8.153 9.862 9.416 1.00 3.65 N ATOM 0 H GLN A 32 6.344 6.962 9.527 1.00 1.22 H new ATOM 0 HA GLN A 32 3.639 8.107 9.310 1.00 1.11 H new ATOM 0 HB2 GLN A 32 6.238 8.734 7.871 1.00 1.28 H new ATOM 0 HB3 GLN A 32 4.727 9.604 7.699 1.00 1.28 H new ATOM 0 HG2 GLN A 32 5.717 10.973 9.271 1.00 1.52 H new ATOM 0 HG3 GLN A 32 4.965 9.836 10.373 1.00 1.52 H new ATOM 0 HE21 GLN A 32 8.048 10.376 8.541 1.00 3.65 H new ATOM 0 HE22 GLN A 32 9.080 9.575 9.731 1.00 3.65 H new ATOM 505 N TYR A 33 3.130 7.034 7.013 1.00 0.63 N ATOM 506 CA TYR A 33 2.899 6.533 5.671 1.00 0.55 C ATOM 507 C TYR A 33 2.891 7.747 4.733 1.00 0.59 C ATOM 508 O TYR A 33 2.774 8.882 5.201 1.00 0.69 O ATOM 509 CB TYR A 33 1.589 5.735 5.658 1.00 0.64 C ATOM 510 CG TYR A 33 0.375 6.582 5.397 1.00 0.60 C ATOM 511 CD1 TYR A 33 -0.199 7.340 6.430 1.00 1.91 C ATOM 512 CD2 TYR A 33 -0.007 6.800 4.067 1.00 1.96 C ATOM 513 CE1 TYR A 33 -1.220 8.255 6.130 1.00 1.93 C ATOM 514 CE2 TYR A 33 -0.986 7.747 3.770 1.00 2.03 C ATOM 515 CZ TYR A 33 -1.639 8.425 4.804 1.00 0.83 C ATOM 516 OH TYR A 33 -2.650 9.283 4.499 1.00 1.07 O ATOM 0 H TYR A 33 2.319 7.485 7.437 1.00 0.63 H new ATOM 0 HA TYR A 33 3.677 5.848 5.332 1.00 0.55 H new ATOM 0 HB2 TYR A 33 1.652 4.960 4.895 1.00 0.64 H new ATOM 0 HB3 TYR A 33 1.471 5.230 6.617 1.00 0.64 H new ATOM 0 HD1 TYR A 33 0.142 7.220 7.448 1.00 1.91 H new ATOM 0 HD2 TYR A 33 0.457 6.235 3.272 1.00 1.96 H new ATOM 0 HE1 TYR A 33 -1.682 8.828 6.921 1.00 1.93 H new ATOM 0 HE2 TYR A 33 -1.240 7.957 2.742 1.00 2.03 H new ATOM 0 HH TYR A 33 -2.830 9.863 5.268 1.00 1.07 H new ATOM 526 N GLN A 34 2.994 7.548 3.421 1.00 0.71 N ATOM 527 CA GLN A 34 2.848 8.610 2.429 1.00 0.75 C ATOM 528 C GLN A 34 2.056 8.058 1.251 1.00 0.69 C ATOM 529 O GLN A 34 2.151 6.868 0.968 1.00 0.74 O ATOM 530 CB GLN A 34 4.237 9.098 2.007 1.00 0.86 C ATOM 531 CG GLN A 34 4.187 10.210 0.953 1.00 1.53 C ATOM 532 CD GLN A 34 5.536 10.907 0.819 1.00 1.79 C ATOM 533 OE1 GLN A 34 6.581 10.319 1.083 1.00 2.53 O ATOM 534 NE2 GLN A 34 5.532 12.174 0.435 1.00 2.63 N ATOM 0 H GLN A 34 3.184 6.633 3.012 1.00 0.71 H new ATOM 0 HA GLN A 34 2.309 9.464 2.839 1.00 0.75 H new ATOM 0 HB2 GLN A 34 4.771 9.461 2.885 1.00 0.86 H new ATOM 0 HB3 GLN A 34 4.807 8.257 1.613 1.00 0.86 H new ATOM 0 HG2 GLN A 34 3.896 9.789 -0.009 1.00 1.53 H new ATOM 0 HG3 GLN A 34 3.424 10.939 1.226 1.00 1.53 H new ATOM 0 HE21 GLN A 34 4.650 12.639 0.221 1.00 2.63 H new ATOM 0 HE22 GLN A 34 6.411 12.685 0.353 1.00 2.63 H new ATOM 543 N TYR A 35 1.267 8.889 0.572 1.00 0.75 N ATOM 544 CA TYR A 35 0.421 8.452 -0.530 1.00 0.72 C ATOM 545 C TYR A 35 0.913 9.086 -1.820 1.00 0.78 C ATOM 546 O TYR A 35 1.276 10.260 -1.841 1.00 0.93 O ATOM 547 CB TYR A 35 -1.039 8.765 -0.209 1.00 0.76 C ATOM 548 CG TYR A 35 -2.084 8.108 -1.083 1.00 0.76 C ATOM 549 CD1 TYR A 35 -2.500 8.792 -2.239 1.00 1.86 C ATOM 550 CD2 TYR A 35 -2.767 6.953 -0.672 1.00 2.04 C ATOM 551 CE1 TYR A 35 -3.660 8.395 -2.918 1.00 1.82 C ATOM 552 CE2 TYR A 35 -3.846 6.479 -1.436 1.00 2.25 C ATOM 553 CZ TYR A 35 -4.325 7.228 -2.522 1.00 1.19 C ATOM 554 OH TYR A 35 -5.585 6.982 -2.972 1.00 1.73 O ATOM 0 H TYR A 35 1.198 9.887 0.774 1.00 0.75 H new ATOM 0 HA TYR A 35 0.481 7.372 -0.668 1.00 0.72 H new ATOM 0 HB2 TYR A 35 -1.229 8.476 0.825 1.00 0.76 H new ATOM 0 HB3 TYR A 35 -1.176 9.845 -0.268 1.00 0.76 H new ATOM 0 HD1 TYR A 35 -1.923 9.628 -2.606 1.00 1.86 H new ATOM 0 HD2 TYR A 35 -2.465 6.433 0.225 1.00 2.04 H new ATOM 0 HE1 TYR A 35 -4.038 8.984 -3.740 1.00 1.82 H new ATOM 0 HE2 TYR A 35 -4.309 5.535 -1.187 1.00 2.25 H new ATOM 0 HH TYR A 35 -5.807 7.615 -3.686 1.00 1.73 H new ATOM 564 N VAL A 36 0.984 8.276 -2.871 1.00 0.76 N ATOM 565 CA VAL A 36 1.660 8.565 -4.115 1.00 0.76 C ATOM 566 C VAL A 36 0.698 8.180 -5.227 1.00 0.76 C ATOM 567 O VAL A 36 0.293 7.022 -5.340 1.00 0.85 O ATOM 568 CB VAL A 36 2.955 7.739 -4.164 1.00 0.72 C ATOM 569 CG1 VAL A 36 3.578 7.754 -5.566 1.00 0.83 C ATOM 570 CG2 VAL A 36 3.967 8.300 -3.161 1.00 0.88 C ATOM 0 H VAL A 36 0.547 7.355 -2.870 1.00 0.76 H new ATOM 0 HA VAL A 36 1.934 9.615 -4.218 1.00 0.76 H new ATOM 0 HB VAL A 36 2.702 6.710 -3.908 1.00 0.72 H new ATOM 0 HG11 VAL A 36 4.492 7.160 -5.564 1.00 0.83 H new ATOM 0 HG12 VAL A 36 2.873 7.332 -6.282 1.00 0.83 H new ATOM 0 HG13 VAL A 36 3.813 8.780 -5.849 1.00 0.83 H new ATOM 0 HG21 VAL A 36 4.883 7.711 -3.200 1.00 0.88 H new ATOM 0 HG22 VAL A 36 4.192 9.337 -3.412 1.00 0.88 H new ATOM 0 HG23 VAL A 36 3.548 8.253 -2.156 1.00 0.88 H new ATOM 580 N ASP A 37 0.286 9.142 -6.041 1.00 0.93 N ATOM 581 CA ASP A 37 -0.588 8.849 -7.153 1.00 1.01 C ATOM 582 C ASP A 37 0.253 8.396 -8.330 1.00 0.93 C ATOM 583 O ASP A 37 0.993 9.193 -8.905 1.00 0.99 O ATOM 584 CB ASP A 37 -1.422 10.059 -7.564 1.00 1.27 C ATOM 585 CG ASP A 37 -2.404 10.463 -6.500 1.00 1.67 C ATOM 586 OD1 ASP A 37 -3.335 9.675 -6.266 1.00 2.23 O ATOM 587 OD2 ASP A 37 -2.250 11.584 -5.968 1.00 2.64 O ATOM 0 H ASP A 37 0.545 10.124 -5.948 1.00 0.93 H new ATOM 0 HA ASP A 37 -1.278 8.065 -6.842 1.00 1.01 H new ATOM 0 HB2 ASP A 37 -0.760 10.897 -7.781 1.00 1.27 H new ATOM 0 HB3 ASP A 37 -1.960 9.831 -8.484 1.00 1.27 H new ATOM 592 N ILE A 38 0.038 7.176 -8.811 1.00 0.94 N ATOM 593 CA ILE A 38 0.466 6.821 -10.145 1.00 0.95 C ATOM 594 C ILE A 38 -0.125 7.790 -11.171 1.00 1.04 C ATOM 595 O ILE A 38 0.437 7.931 -12.252 1.00 1.14 O ATOM 596 CB ILE A 38 0.110 5.363 -10.469 1.00 1.12 C ATOM 597 CG1 ILE A 38 -1.390 5.026 -10.462 1.00 1.34 C ATOM 598 CG2 ILE A 38 0.857 4.411 -9.533 1.00 1.26 C ATOM 599 CD1 ILE A 38 -1.762 4.111 -11.630 1.00 1.61 C ATOM 0 H ILE A 38 -0.426 6.427 -8.297 1.00 0.94 H new ATOM 0 HA ILE A 38 1.552 6.905 -10.194 1.00 0.95 H new ATOM 0 HB ILE A 38 0.429 5.228 -11.502 1.00 1.12 H new ATOM 0 HG12 ILE A 38 -1.651 4.542 -9.521 1.00 1.34 H new ATOM 0 HG13 ILE A 38 -1.971 5.946 -10.519 1.00 1.34 H new ATOM 0 HG21 ILE A 38 0.594 3.381 -9.776 1.00 1.26 H new ATOM 0 HG22 ILE A 38 1.931 4.549 -9.655 1.00 1.26 H new ATOM 0 HG23 ILE A 38 0.579 4.623 -8.501 1.00 1.26 H new ATOM 0 HD11 ILE A 38 -2.829 3.892 -11.595 1.00 1.61 H new ATOM 0 HD12 ILE A 38 -1.524 4.607 -12.571 1.00 1.61 H new ATOM 0 HD13 ILE A 38 -1.199 3.181 -11.557 1.00 1.61 H new ATOM 611 N ARG A 39 -1.232 8.464 -10.834 1.00 1.25 N ATOM 612 CA ARG A 39 -1.874 9.435 -11.706 1.00 1.50 C ATOM 613 C ARG A 39 -1.089 10.745 -11.787 1.00 1.44 C ATOM 614 O ARG A 39 -1.231 11.506 -12.741 1.00 1.86 O ATOM 615 CB ARG A 39 -3.357 9.596 -11.308 1.00 2.03 C ATOM 616 CG ARG A 39 -3.698 10.779 -10.380 1.00 3.29 C ATOM 617 CD ARG A 39 -4.751 10.402 -9.330 1.00 3.78 C ATOM 618 NE ARG A 39 -5.269 11.594 -8.635 1.00 5.37 N ATOM 619 CZ ARG A 39 -5.829 11.634 -7.411 1.00 6.33 C ATOM 620 NH1 ARG A 39 -5.737 10.617 -6.558 1.00 6.32 N ATOM 621 NH2 ARG A 39 -6.496 12.720 -7.043 1.00 7.88 N ATOM 0 H ARG A 39 -1.705 8.344 -9.939 1.00 1.25 H new ATOM 0 HA ARG A 39 -1.867 9.062 -12.730 1.00 1.50 H new ATOM 0 HB2 ARG A 39 -3.945 9.698 -12.220 1.00 2.03 H new ATOM 0 HB3 ARG A 39 -3.681 8.676 -10.821 1.00 2.03 H new ATOM 0 HG2 ARG A 39 -2.792 11.119 -9.879 1.00 3.29 H new ATOM 0 HG3 ARG A 39 -4.064 11.614 -10.977 1.00 3.29 H new ATOM 0 HD2 ARG A 39 -5.574 9.873 -9.811 1.00 3.78 H new ATOM 0 HD3 ARG A 39 -4.314 9.717 -8.604 1.00 3.78 H new ATOM 0 HE ARG A 39 -5.196 12.481 -9.133 1.00 5.37 H new ATOM 0 HH11 ARG A 39 -5.230 9.773 -6.824 1.00 6.32 H new ATOM 0 HH12 ARG A 39 -6.174 10.682 -5.638 1.00 6.32 H new ATOM 0 HH21 ARG A 39 -6.579 13.509 -7.684 1.00 7.88 H new ATOM 0 HH22 ARG A 39 -6.926 12.766 -6.119 1.00 7.88 H new ATOM 635 N ALA A 40 -0.265 11.022 -10.781 1.00 1.40 N ATOM 636 CA ALA A 40 0.593 12.194 -10.790 1.00 1.48 C ATOM 637 C ALA A 40 1.641 12.008 -11.878 1.00 1.48 C ATOM 638 O ALA A 40 1.678 12.751 -12.857 1.00 1.84 O ATOM 639 CB ALA A 40 1.244 12.416 -9.423 1.00 1.63 C ATOM 0 H ALA A 40 -0.176 10.444 -9.945 1.00 1.40 H new ATOM 0 HA ALA A 40 -0.001 13.084 -11.000 1.00 1.48 H new ATOM 0 HB1 ALA A 40 1.880 13.300 -9.462 1.00 1.63 H new ATOM 0 HB2 ALA A 40 0.469 12.559 -8.670 1.00 1.63 H new ATOM 0 HB3 ALA A 40 1.847 11.547 -9.162 1.00 1.63 H new ATOM 645 N GLU A 41 2.486 10.994 -11.716 1.00 1.37 N ATOM 646 CA GLU A 41 3.629 10.792 -12.587 1.00 1.79 C ATOM 647 C GLU A 41 3.214 10.082 -13.879 1.00 1.83 C ATOM 648 O GLU A 41 3.567 10.534 -14.965 1.00 2.53 O ATOM 649 CB GLU A 41 4.727 10.072 -11.806 1.00 1.99 C ATOM 650 CG GLU A 41 5.000 10.780 -10.472 1.00 2.12 C ATOM 651 CD GLU A 41 6.352 10.391 -9.922 1.00 2.34 C ATOM 652 OE1 GLU A 41 6.577 9.185 -9.701 1.00 2.98 O ATOM 653 OE2 GLU A 41 7.185 11.311 -9.752 1.00 3.20 O ATOM 0 H GLU A 41 2.395 10.295 -10.979 1.00 1.37 H new ATOM 0 HA GLU A 41 4.038 11.750 -12.909 1.00 1.79 H new ATOM 0 HB2 GLU A 41 4.431 9.039 -11.621 1.00 1.99 H new ATOM 0 HB3 GLU A 41 5.641 10.040 -12.400 1.00 1.99 H new ATOM 0 HG2 GLU A 41 4.958 11.860 -10.614 1.00 2.12 H new ATOM 0 HG3 GLU A 41 4.222 10.522 -9.753 1.00 2.12 H new ATOM 660 N GLY A 42 2.396 9.034 -13.786 1.00 1.34 N ATOM 661 CA GLY A 42 1.822 8.316 -14.923 1.00 1.64 C ATOM 662 C GLY A 42 2.332 6.877 -14.967 1.00 1.53 C ATOM 663 O GLY A 42 2.803 6.412 -16.001 1.00 1.79 O ATOM 0 H GLY A 42 2.105 8.649 -12.887 1.00 1.34 H new ATOM 0 HA2 GLY A 42 0.734 8.319 -14.850 1.00 1.64 H new ATOM 0 HA3 GLY A 42 2.081 8.827 -15.850 1.00 1.64 H new ATOM 667 N ILE A 43 2.280 6.172 -13.836 1.00 1.24 N ATOM 668 CA ILE A 43 2.798 4.808 -13.717 1.00 1.08 C ATOM 669 C ILE A 43 1.696 3.824 -14.121 1.00 1.07 C ATOM 670 O ILE A 43 0.520 4.065 -13.842 1.00 1.21 O ATOM 671 CB ILE A 43 3.331 4.583 -12.285 1.00 0.97 C ATOM 672 CG1 ILE A 43 4.774 5.083 -12.138 1.00 1.20 C ATOM 673 CG2 ILE A 43 3.310 3.124 -11.821 1.00 0.95 C ATOM 674 CD1 ILE A 43 4.851 6.601 -12.220 1.00 2.08 C ATOM 0 H ILE A 43 1.875 6.533 -12.972 1.00 1.24 H new ATOM 0 HA ILE A 43 3.639 4.642 -14.390 1.00 1.08 H new ATOM 0 HB ILE A 43 2.643 5.152 -11.660 1.00 0.97 H new ATOM 0 HG12 ILE A 43 5.180 4.748 -11.184 1.00 1.20 H new ATOM 0 HG13 ILE A 43 5.394 4.644 -12.920 1.00 1.20 H new ATOM 0 HG21 ILE A 43 3.701 3.059 -10.806 1.00 0.95 H new ATOM 0 HG22 ILE A 43 2.286 2.751 -11.840 1.00 0.95 H new ATOM 0 HG23 ILE A 43 3.928 2.522 -12.487 1.00 0.95 H new ATOM 0 HD11 ILE A 43 5.888 6.919 -12.112 1.00 2.08 H new ATOM 0 HD12 ILE A 43 4.468 6.933 -13.185 1.00 2.08 H new ATOM 0 HD13 ILE A 43 4.252 7.039 -11.422 1.00 2.08 H new ATOM 686 N THR A 44 2.060 2.722 -14.776 1.00 1.00 N ATOM 687 CA THR A 44 1.123 1.682 -15.161 1.00 1.09 C ATOM 688 C THR A 44 1.022 0.641 -14.041 1.00 0.91 C ATOM 689 O THR A 44 1.902 0.528 -13.187 1.00 0.77 O ATOM 690 CB THR A 44 1.588 1.059 -16.487 1.00 1.28 C ATOM 691 OG1 THR A 44 2.876 0.509 -16.320 1.00 1.23 O ATOM 692 CG2 THR A 44 1.638 2.117 -17.592 1.00 1.56 C ATOM 0 H THR A 44 3.022 2.530 -15.054 1.00 1.00 H new ATOM 0 HA THR A 44 0.127 2.098 -15.312 1.00 1.09 H new ATOM 0 HB THR A 44 0.880 0.281 -16.772 1.00 1.28 H new ATOM 0 HG1 THR A 44 3.173 0.110 -17.164 1.00 1.23 H new ATOM 0 HG21 THR A 44 1.969 1.656 -18.522 1.00 1.56 H new ATOM 0 HG22 THR A 44 0.645 2.544 -17.732 1.00 1.56 H new ATOM 0 HG23 THR A 44 2.335 2.906 -17.309 1.00 1.56 H new ATOM 700 N LYS A 45 -0.042 -0.162 -14.059 1.00 1.05 N ATOM 701 CA LYS A 45 -0.133 -1.355 -13.244 1.00 1.07 C ATOM 702 C LYS A 45 1.048 -2.273 -13.570 1.00 0.96 C ATOM 703 O LYS A 45 1.685 -2.815 -12.672 1.00 0.93 O ATOM 704 CB LYS A 45 -1.461 -2.041 -13.586 1.00 1.35 C ATOM 705 CG LYS A 45 -2.564 -1.786 -12.553 1.00 1.30 C ATOM 706 CD LYS A 45 -3.907 -2.343 -13.054 1.00 1.87 C ATOM 707 CE LYS A 45 -4.824 -1.294 -13.706 1.00 3.08 C ATOM 708 NZ LYS A 45 -4.176 -0.457 -14.730 1.00 3.87 N ATOM 0 H LYS A 45 -0.862 0.004 -14.643 1.00 1.05 H new ATOM 0 HA LYS A 45 -0.099 -1.118 -12.181 1.00 1.07 H new ATOM 0 HB2 LYS A 45 -1.800 -1.693 -14.562 1.00 1.35 H new ATOM 0 HB3 LYS A 45 -1.295 -3.115 -13.671 1.00 1.35 H new ATOM 0 HG2 LYS A 45 -2.299 -2.255 -11.606 1.00 1.30 H new ATOM 0 HG3 LYS A 45 -2.654 -0.716 -12.365 1.00 1.30 H new ATOM 0 HD2 LYS A 45 -3.711 -3.136 -13.776 1.00 1.87 H new ATOM 0 HD3 LYS A 45 -4.434 -2.798 -12.215 1.00 1.87 H new ATOM 0 HE2 LYS A 45 -5.673 -1.806 -14.159 1.00 3.08 H new ATOM 0 HE3 LYS A 45 -5.222 -0.645 -12.926 1.00 3.08 H new ATOM 0 HZ1 LYS A 45 -4.879 0.184 -15.150 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 -3.416 0.101 -14.292 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 -3.775 -1.065 -15.473 1.00 3.87 H new ATOM 722 N GLU A 46 1.327 -2.445 -14.860 1.00 1.00 N ATOM 723 CA GLU A 46 2.400 -3.245 -15.386 1.00 0.91 C ATOM 724 C GLU A 46 3.736 -2.873 -14.731 1.00 0.79 C ATOM 725 O GLU A 46 4.430 -3.732 -14.186 1.00 0.78 O ATOM 726 CB GLU A 46 2.410 -3.030 -16.906 1.00 0.98 C ATOM 727 CG GLU A 46 1.036 -3.112 -17.603 1.00 2.27 C ATOM 728 CD GLU A 46 1.187 -2.861 -19.086 1.00 2.31 C ATOM 729 OE1 GLU A 46 1.977 -3.591 -19.721 1.00 2.43 O ATOM 730 OE2 GLU A 46 0.558 -1.904 -19.570 1.00 3.19 O ATOM 0 H GLU A 46 0.775 -2.002 -15.594 1.00 1.00 H new ATOM 0 HA GLU A 46 2.252 -4.302 -15.164 1.00 0.91 H new ATOM 0 HB2 GLU A 46 2.844 -2.052 -17.113 1.00 0.98 H new ATOM 0 HB3 GLU A 46 3.069 -3.773 -17.355 1.00 0.98 H new ATOM 0 HG2 GLU A 46 0.594 -4.094 -17.436 1.00 2.27 H new ATOM 0 HG3 GLU A 46 0.356 -2.378 -17.170 1.00 2.27 H new ATOM 737 N ASP A 47 4.074 -1.580 -14.782 1.00 0.76 N ATOM 738 CA ASP A 47 5.287 -1.033 -14.186 1.00 0.70 C ATOM 739 C ASP A 47 5.355 -1.467 -12.729 1.00 0.69 C ATOM 740 O ASP A 47 6.334 -2.078 -12.300 1.00 0.73 O ATOM 741 CB ASP A 47 5.253 0.496 -14.255 1.00 0.76 C ATOM 742 CG ASP A 47 6.448 1.117 -13.570 1.00 0.83 C ATOM 743 OD1 ASP A 47 6.519 1.175 -12.323 1.00 1.50 O ATOM 744 OD2 ASP A 47 7.346 1.532 -14.329 1.00 1.69 O ATOM 0 H ASP A 47 3.500 -0.877 -15.247 1.00 0.76 H new ATOM 0 HA ASP A 47 6.159 -1.398 -14.729 1.00 0.70 H new ATOM 0 HB2 ASP A 47 5.227 0.812 -15.298 1.00 0.76 H new ATOM 0 HB3 ASP A 47 4.337 0.860 -13.789 1.00 0.76 H new ATOM 749 N LEU A 48 4.288 -1.157 -11.990 1.00 0.70 N ATOM 750 CA LEU A 48 4.131 -1.523 -10.600 1.00 0.77 C ATOM 751 C LEU A 48 4.399 -3.003 -10.360 1.00 0.73 C ATOM 752 O LEU A 48 5.149 -3.340 -9.447 1.00 0.80 O ATOM 753 CB LEU A 48 2.727 -1.117 -10.126 1.00 0.86 C ATOM 754 CG LEU A 48 2.779 0.215 -9.379 1.00 1.13 C ATOM 755 CD1 LEU A 48 1.368 0.801 -9.290 1.00 1.25 C ATOM 756 CD2 LEU A 48 3.340 0.015 -7.964 1.00 1.36 C ATOM 0 H LEU A 48 3.496 -0.632 -12.360 1.00 0.70 H new ATOM 0 HA LEU A 48 4.876 -0.985 -10.014 1.00 0.77 H new ATOM 0 HB2 LEU A 48 2.057 -1.035 -10.982 1.00 0.86 H new ATOM 0 HB3 LEU A 48 2.319 -1.890 -9.475 1.00 0.86 H new ATOM 0 HG LEU A 48 3.432 0.899 -9.922 1.00 1.13 H new ATOM 0 HD11 LEU A 48 1.402 1.751 -8.758 1.00 1.25 H new ATOM 0 HD12 LEU A 48 0.977 0.962 -10.295 1.00 1.25 H new ATOM 0 HD13 LEU A 48 0.719 0.108 -8.754 1.00 1.25 H new ATOM 0 HD21 LEU A 48 3.370 0.973 -7.446 1.00 1.36 H new ATOM 0 HD22 LEU A 48 2.701 -0.675 -7.413 1.00 1.36 H new ATOM 0 HD23 LEU A 48 4.348 -0.395 -8.027 1.00 1.36 H new ATOM 768 N GLN A 49 3.774 -3.889 -11.128 1.00 0.68 N ATOM 769 CA GLN A 49 3.866 -5.323 -10.939 1.00 0.65 C ATOM 770 C GLN A 49 5.313 -5.785 -11.093 1.00 0.68 C ATOM 771 O GLN A 49 5.813 -6.590 -10.306 1.00 0.70 O ATOM 772 CB GLN A 49 2.854 -5.989 -11.881 1.00 0.69 C ATOM 773 CG GLN A 49 3.433 -6.940 -12.928 1.00 0.75 C ATOM 774 CD GLN A 49 2.373 -7.459 -13.893 1.00 0.90 C ATOM 775 OE1 GLN A 49 2.699 -7.989 -14.951 1.00 1.19 O ATOM 776 NE2 GLN A 49 1.090 -7.323 -13.578 1.00 1.07 N ATOM 0 H GLN A 49 3.180 -3.621 -11.912 1.00 0.68 H new ATOM 0 HA GLN A 49 3.597 -5.626 -9.927 1.00 0.65 H new ATOM 0 HB2 GLN A 49 2.135 -6.542 -11.276 1.00 0.69 H new ATOM 0 HB3 GLN A 49 2.300 -5.206 -12.398 1.00 0.69 H new ATOM 0 HG2 GLN A 49 4.212 -6.425 -13.491 1.00 0.75 H new ATOM 0 HG3 GLN A 49 3.907 -7.783 -12.426 1.00 0.75 H new ATOM 0 HE21 GLN A 49 0.825 -6.882 -12.697 1.00 1.07 H new ATOM 0 HE22 GLN A 49 0.370 -7.660 -14.217 1.00 1.07 H new ATOM 785 N GLN A 50 6.011 -5.237 -12.085 1.00 0.74 N ATOM 786 CA GLN A 50 7.412 -5.542 -12.303 1.00 0.84 C ATOM 787 C GLN A 50 8.249 -4.973 -11.153 1.00 0.78 C ATOM 788 O GLN A 50 9.189 -5.620 -10.686 1.00 0.86 O ATOM 789 CB GLN A 50 7.811 -5.049 -13.702 1.00 1.11 C ATOM 790 CG GLN A 50 9.323 -4.941 -13.929 1.00 1.25 C ATOM 791 CD GLN A 50 9.855 -3.600 -13.442 1.00 2.90 C ATOM 792 OE1 GLN A 50 10.620 -3.537 -12.484 1.00 4.59 O ATOM 793 NE2 GLN A 50 9.435 -2.520 -14.081 1.00 3.71 N ATOM 0 H GLN A 50 5.619 -4.574 -12.753 1.00 0.74 H new ATOM 0 HA GLN A 50 7.602 -6.615 -12.291 1.00 0.84 H new ATOM 0 HB2 GLN A 50 7.392 -5.727 -14.446 1.00 1.11 H new ATOM 0 HB3 GLN A 50 7.360 -4.071 -13.872 1.00 1.11 H new ATOM 0 HG2 GLN A 50 9.831 -5.750 -13.404 1.00 1.25 H new ATOM 0 HG3 GLN A 50 9.544 -5.060 -14.990 1.00 1.25 H new ATOM 0 HE21 GLN A 50 8.799 -2.611 -14.873 1.00 3.71 H new ATOM 0 HE22 GLN A 50 9.747 -1.596 -13.781 1.00 3.71 H new ATOM 802 N LYS A 51 7.927 -3.765 -10.694 1.00 0.77 N ATOM 803 CA LYS A 51 8.671 -3.109 -9.630 1.00 0.89 C ATOM 804 C LYS A 51 8.566 -3.922 -8.343 1.00 0.94 C ATOM 805 O LYS A 51 9.565 -4.214 -7.693 1.00 1.12 O ATOM 806 CB LYS A 51 8.135 -1.690 -9.413 1.00 0.93 C ATOM 807 CG LYS A 51 9.295 -0.734 -9.120 1.00 1.34 C ATOM 808 CD LYS A 51 8.803 0.712 -9.039 1.00 1.74 C ATOM 809 CE LYS A 51 7.933 0.935 -7.796 1.00 1.49 C ATOM 810 NZ LYS A 51 7.536 2.344 -7.637 1.00 2.64 N ATOM 0 H LYS A 51 7.144 -3.218 -11.051 1.00 0.77 H new ATOM 0 HA LYS A 51 9.721 -3.044 -9.916 1.00 0.89 H new ATOM 0 HB2 LYS A 51 7.593 -1.357 -10.298 1.00 0.93 H new ATOM 0 HB3 LYS A 51 7.427 -1.682 -8.584 1.00 0.93 H new ATOM 0 HG2 LYS A 51 9.773 -1.013 -8.181 1.00 1.34 H new ATOM 0 HG3 LYS A 51 10.050 -0.822 -9.901 1.00 1.34 H new ATOM 0 HD2 LYS A 51 9.657 1.388 -9.014 1.00 1.74 H new ATOM 0 HD3 LYS A 51 8.231 0.955 -9.934 1.00 1.74 H new ATOM 0 HE2 LYS A 51 7.040 0.314 -7.864 1.00 1.49 H new ATOM 0 HE3 LYS A 51 8.479 0.612 -6.910 1.00 1.49 H new ATOM 0 HZ1 LYS A 51 7.879 2.700 -6.722 1.00 2.64 H new ATOM 0 HZ2 LYS A 51 7.949 2.910 -8.406 1.00 2.64 H new ATOM 0 HZ3 LYS A 51 6.499 2.418 -7.671 1.00 2.64 H new ATOM 824 N ALA A 52 7.335 -4.282 -7.987 1.00 0.88 N ATOM 825 CA ALA A 52 7.041 -5.172 -6.884 1.00 1.03 C ATOM 826 C ALA A 52 7.847 -6.454 -7.088 1.00 1.05 C ATOM 827 O ALA A 52 8.628 -6.877 -6.238 1.00 1.49 O ATOM 828 CB ALA A 52 5.543 -5.494 -6.876 1.00 1.05 C ATOM 0 H ALA A 52 6.501 -3.952 -8.473 1.00 0.88 H new ATOM 0 HA ALA A 52 7.305 -4.708 -5.933 1.00 1.03 H new ATOM 0 HB1 ALA A 52 5.319 -6.164 -6.046 1.00 1.05 H new ATOM 0 HB2 ALA A 52 4.973 -4.572 -6.761 1.00 1.05 H new ATOM 0 HB3 ALA A 52 5.269 -5.975 -7.815 1.00 1.05 H new ATOM 834 N GLY A 53 7.660 -7.041 -8.266 1.00 0.77 N ATOM 835 CA GLY A 53 8.129 -8.358 -8.633 1.00 0.80 C ATOM 836 C GLY A 53 7.055 -9.371 -8.281 1.00 0.86 C ATOM 837 O GLY A 53 7.322 -10.386 -7.640 1.00 1.10 O ATOM 0 H GLY A 53 7.152 -6.582 -9.022 1.00 0.77 H new ATOM 0 HA2 GLY A 53 8.350 -8.397 -9.700 1.00 0.80 H new ATOM 0 HA3 GLY A 53 9.055 -8.590 -8.107 1.00 0.80 H new ATOM 841 N LYS A 54 5.821 -9.077 -8.676 1.00 0.80 N ATOM 842 CA LYS A 54 4.656 -9.910 -8.434 1.00 0.94 C ATOM 843 C LYS A 54 3.581 -9.449 -9.426 1.00 0.88 C ATOM 844 O LYS A 54 3.406 -8.240 -9.572 1.00 0.80 O ATOM 845 CB LYS A 54 4.215 -9.735 -6.968 1.00 1.14 C ATOM 846 CG LYS A 54 3.046 -10.654 -6.591 1.00 1.70 C ATOM 847 CD LYS A 54 2.569 -10.449 -5.147 1.00 1.50 C ATOM 848 CE LYS A 54 3.222 -11.339 -4.079 1.00 2.33 C ATOM 849 NZ LYS A 54 4.682 -11.174 -3.942 1.00 3.40 N ATOM 0 H LYS A 54 5.601 -8.224 -9.190 1.00 0.80 H new ATOM 0 HA LYS A 54 4.855 -10.971 -8.582 1.00 0.94 H new ATOM 0 HB2 LYS A 54 5.060 -9.940 -6.311 1.00 1.14 H new ATOM 0 HB3 LYS A 54 3.926 -8.698 -6.801 1.00 1.14 H new ATOM 0 HG2 LYS A 54 2.214 -10.474 -7.272 1.00 1.70 H new ATOM 0 HG3 LYS A 54 3.349 -11.693 -6.725 1.00 1.70 H new ATOM 0 HD2 LYS A 54 2.741 -9.407 -4.875 1.00 1.50 H new ATOM 0 HD3 LYS A 54 1.492 -10.613 -5.116 1.00 1.50 H new ATOM 0 HE2 LYS A 54 2.755 -11.129 -3.117 1.00 2.33 H new ATOM 0 HE3 LYS A 54 3.009 -12.381 -4.316 1.00 2.33 H new ATOM 0 HZ1 LYS A 54 5.021 -11.735 -3.134 1.00 3.40 H new ATOM 0 HZ2 LYS A 54 5.151 -11.500 -4.811 1.00 3.40 H new ATOM 0 HZ3 LYS A 54 4.905 -10.170 -3.784 1.00 3.40 H new ATOM 863 N PRO A 55 2.867 -10.352 -10.114 1.00 0.98 N ATOM 864 CA PRO A 55 1.892 -9.982 -11.131 1.00 0.94 C ATOM 865 C PRO A 55 0.578 -9.515 -10.509 1.00 0.88 C ATOM 866 O PRO A 55 -0.490 -10.076 -10.774 1.00 1.05 O ATOM 867 CB PRO A 55 1.723 -11.225 -12.002 1.00 1.16 C ATOM 868 CG PRO A 55 1.996 -12.365 -11.024 1.00 1.31 C ATOM 869 CD PRO A 55 3.073 -11.790 -10.109 1.00 1.20 C ATOM 0 HA PRO A 55 2.228 -9.133 -11.727 1.00 0.94 H new ATOM 0 HB2 PRO A 55 0.721 -11.288 -12.427 1.00 1.16 H new ATOM 0 HB3 PRO A 55 2.424 -11.232 -12.837 1.00 1.16 H new ATOM 0 HG2 PRO A 55 1.100 -12.641 -10.467 1.00 1.31 H new ATOM 0 HG3 PRO A 55 2.341 -13.262 -11.538 1.00 1.31 H new ATOM 0 HD2 PRO A 55 2.987 -12.194 -9.100 1.00 1.20 H new ATOM 0 HD3 PRO A 55 4.070 -12.044 -10.470 1.00 1.20 H new ATOM 877 N VAL A 56 0.644 -8.465 -9.697 1.00 0.89 N ATOM 878 CA VAL A 56 -0.547 -7.810 -9.193 1.00 0.82 C ATOM 879 C VAL A 56 -1.003 -6.784 -10.215 1.00 0.83 C ATOM 880 O VAL A 56 -0.202 -6.084 -10.833 1.00 1.18 O ATOM 881 CB VAL A 56 -0.359 -7.194 -7.802 1.00 1.03 C ATOM 882 CG1 VAL A 56 1.073 -6.700 -7.596 1.00 1.14 C ATOM 883 CG2 VAL A 56 -1.399 -6.129 -7.461 1.00 1.46 C ATOM 0 H VAL A 56 1.519 -8.051 -9.375 1.00 0.89 H new ATOM 0 HA VAL A 56 -1.322 -8.564 -9.056 1.00 0.82 H new ATOM 0 HB VAL A 56 -0.532 -7.999 -7.087 1.00 1.03 H new ATOM 0 HG11 VAL A 56 1.170 -6.270 -6.599 1.00 1.14 H new ATOM 0 HG12 VAL A 56 1.765 -7.536 -7.699 1.00 1.14 H new ATOM 0 HG13 VAL A 56 1.307 -5.942 -8.343 1.00 1.14 H new ATOM 0 HG21 VAL A 56 -1.205 -5.737 -6.463 1.00 1.46 H new ATOM 0 HG22 VAL A 56 -1.341 -5.318 -8.187 1.00 1.46 H new ATOM 0 HG23 VAL A 56 -2.395 -6.571 -7.490 1.00 1.46 H new ATOM 893 N GLU A 57 -2.314 -6.701 -10.352 1.00 0.85 N ATOM 894 CA GLU A 57 -3.061 -5.706 -11.040 1.00 1.18 C ATOM 895 C GLU A 57 -4.258 -5.416 -10.138 1.00 0.81 C ATOM 896 O GLU A 57 -5.396 -5.753 -10.465 1.00 1.46 O ATOM 897 CB GLU A 57 -3.463 -6.322 -12.370 1.00 1.81 C ATOM 898 CG GLU A 57 -2.333 -6.218 -13.395 1.00 2.86 C ATOM 899 CD GLU A 57 -2.876 -6.370 -14.792 1.00 2.94 C ATOM 900 OE1 GLU A 57 -3.381 -5.373 -15.345 1.00 3.48 O ATOM 901 OE2 GLU A 57 -2.792 -7.492 -15.333 1.00 3.29 O ATOM 0 H GLU A 57 -2.926 -7.405 -9.938 1.00 0.85 H new ATOM 0 HA GLU A 57 -2.529 -4.776 -11.243 1.00 1.18 H new ATOM 0 HB2 GLU A 57 -3.728 -7.369 -12.223 1.00 1.81 H new ATOM 0 HB3 GLU A 57 -4.351 -5.819 -12.752 1.00 1.81 H new ATOM 0 HG2 GLU A 57 -1.831 -5.256 -13.296 1.00 2.86 H new ATOM 0 HG3 GLU A 57 -1.586 -6.988 -13.202 1.00 2.86 H new ATOM 908 N THR A 58 -3.979 -4.859 -8.965 1.00 1.24 N ATOM 909 CA THR A 58 -4.966 -4.276 -8.079 1.00 1.15 C ATOM 910 C THR A 58 -4.363 -2.979 -7.538 1.00 1.19 C ATOM 911 O THR A 58 -3.137 -2.870 -7.481 1.00 1.34 O ATOM 912 CB THR A 58 -5.379 -5.260 -6.974 1.00 1.19 C ATOM 913 OG1 THR A 58 -4.412 -5.376 -5.951 1.00 1.79 O ATOM 914 CG2 THR A 58 -5.726 -6.652 -7.517 1.00 1.43 C ATOM 0 H THR A 58 -3.029 -4.802 -8.598 1.00 1.24 H new ATOM 0 HA THR A 58 -5.892 -4.052 -8.609 1.00 1.15 H new ATOM 0 HB THR A 58 -6.281 -4.827 -6.541 1.00 1.19 H new ATOM 0 HG1 THR A 58 -4.726 -6.012 -5.275 1.00 1.79 H new ATOM 0 HG21 THR A 58 -6.010 -7.304 -6.691 1.00 1.43 H new ATOM 0 HG22 THR A 58 -6.556 -6.572 -8.219 1.00 1.43 H new ATOM 0 HG23 THR A 58 -4.858 -7.070 -8.027 1.00 1.43 H new ATOM 922 N VAL A 59 -5.191 -2.002 -7.165 1.00 1.16 N ATOM 923 CA VAL A 59 -4.753 -0.830 -6.416 1.00 1.09 C ATOM 924 C VAL A 59 -5.597 -0.755 -5.135 1.00 1.01 C ATOM 925 O VAL A 59 -6.723 -1.265 -5.139 1.00 1.22 O ATOM 926 CB VAL A 59 -4.835 0.442 -7.284 1.00 1.30 C ATOM 927 CG1 VAL A 59 -3.833 0.364 -8.444 1.00 1.84 C ATOM 928 CG2 VAL A 59 -6.241 0.697 -7.829 1.00 1.42 C ATOM 0 H VAL A 59 -6.189 -2.004 -7.377 1.00 1.16 H new ATOM 0 HA VAL A 59 -3.703 -0.911 -6.134 1.00 1.09 H new ATOM 0 HB VAL A 59 -4.583 1.280 -6.635 1.00 1.30 H new ATOM 0 HG11 VAL A 59 -3.903 1.269 -9.047 1.00 1.84 H new ATOM 0 HG12 VAL A 59 -2.822 0.271 -8.046 1.00 1.84 H new ATOM 0 HG13 VAL A 59 -4.061 -0.503 -9.064 1.00 1.84 H new ATOM 0 HG21 VAL A 59 -6.238 1.605 -8.432 1.00 1.42 H new ATOM 0 HG22 VAL A 59 -6.551 -0.147 -8.445 1.00 1.42 H new ATOM 0 HG23 VAL A 59 -6.937 0.815 -6.999 1.00 1.42 H new ATOM 938 N PRO A 60 -5.122 -0.138 -4.041 1.00 0.86 N ATOM 939 CA PRO A 60 -3.827 0.509 -3.896 1.00 0.87 C ATOM 940 C PRO A 60 -2.695 -0.518 -3.852 1.00 0.74 C ATOM 941 O PRO A 60 -2.923 -1.724 -3.867 1.00 0.71 O ATOM 942 CB PRO A 60 -3.918 1.309 -2.593 1.00 0.87 C ATOM 943 CG PRO A 60 -4.877 0.472 -1.752 1.00 0.75 C ATOM 944 CD PRO A 60 -5.853 -0.077 -2.788 1.00 0.87 C ATOM 0 HA PRO A 60 -3.600 1.155 -4.744 1.00 0.87 H new ATOM 0 HB2 PRO A 60 -2.945 1.414 -2.113 1.00 0.87 H new ATOM 0 HB3 PRO A 60 -4.300 2.316 -2.762 1.00 0.87 H new ATOM 0 HG2 PRO A 60 -4.358 -0.327 -1.223 1.00 0.75 H new ATOM 0 HG3 PRO A 60 -5.385 1.075 -0.999 1.00 0.75 H new ATOM 0 HD2 PRO A 60 -6.213 -1.064 -2.499 1.00 0.87 H new ATOM 0 HD3 PRO A 60 -6.728 0.567 -2.879 1.00 0.87 H new ATOM 952 N GLN A 61 -1.474 -0.004 -3.854 1.00 0.79 N ATOM 953 CA GLN A 61 -0.226 -0.728 -3.873 1.00 0.75 C ATOM 954 C GLN A 61 0.619 -0.142 -2.752 1.00 0.62 C ATOM 955 O GLN A 61 1.405 0.775 -2.982 1.00 0.76 O ATOM 956 CB GLN A 61 0.425 -0.542 -5.256 1.00 1.20 C ATOM 957 CG GLN A 61 -0.092 -1.617 -6.221 1.00 1.11 C ATOM 958 CD GLN A 61 0.642 -2.903 -5.912 1.00 1.82 C ATOM 959 OE1 GLN A 61 1.865 -2.881 -5.827 1.00 3.22 O ATOM 960 NE2 GLN A 61 -0.044 -4.007 -5.673 1.00 2.46 N ATOM 0 H GLN A 61 -1.327 1.005 -3.841 1.00 0.79 H new ATOM 0 HA GLN A 61 -0.347 -1.800 -3.716 1.00 0.75 H new ATOM 0 HB2 GLN A 61 0.196 0.450 -5.646 1.00 1.20 H new ATOM 0 HB3 GLN A 61 1.510 -0.608 -5.170 1.00 1.20 H new ATOM 0 HG2 GLN A 61 -1.167 -1.752 -6.103 1.00 1.11 H new ATOM 0 HG3 GLN A 61 0.080 -1.317 -7.255 1.00 1.11 H new ATOM 0 HE21 GLN A 61 -1.061 -4.002 -5.750 1.00 2.46 H new ATOM 0 HE22 GLN A 61 0.444 -4.864 -5.412 1.00 2.46 H new ATOM 969 N ILE A 62 0.460 -0.648 -1.535 1.00 0.52 N ATOM 970 CA ILE A 62 1.276 -0.209 -0.423 1.00 0.46 C ATOM 971 C ILE A 62 2.581 -1.005 -0.479 1.00 0.44 C ATOM 972 O ILE A 62 2.573 -2.229 -0.646 1.00 0.49 O ATOM 973 CB ILE A 62 0.521 -0.362 0.911 1.00 0.46 C ATOM 974 CG1 ILE A 62 -0.518 0.767 1.125 1.00 0.45 C ATOM 975 CG2 ILE A 62 1.507 -0.344 2.073 1.00 0.54 C ATOM 976 CD1 ILE A 62 -1.913 0.163 1.125 1.00 0.59 C ATOM 0 H ILE A 62 -0.228 -1.363 -1.299 1.00 0.52 H new ATOM 0 HA ILE A 62 1.507 0.854 -0.493 1.00 0.46 H new ATOM 0 HB ILE A 62 -0.008 -1.314 0.872 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -0.329 1.278 2.069 1.00 0.45 H new ATOM 0 HG13 ILE A 62 -0.431 1.513 0.335 1.00 0.45 H new ATOM 0 HG21 ILE A 62 0.965 -0.453 3.012 1.00 0.54 H new ATOM 0 HG22 ILE A 62 2.213 -1.168 1.964 1.00 0.54 H new ATOM 0 HG23 ILE A 62 2.050 0.601 2.075 1.00 0.54 H new ATOM 0 HD11 ILE A 62 -2.651 0.951 1.275 1.00 0.59 H new ATOM 0 HD12 ILE A 62 -2.097 -0.329 0.170 1.00 0.59 H new ATOM 0 HD13 ILE A 62 -1.993 -0.567 1.930 1.00 0.59 H new ATOM 988 N PHE A 63 3.692 -0.278 -0.375 1.00 0.43 N ATOM 989 CA PHE A 63 5.035 -0.791 -0.200 1.00 0.45 C ATOM 990 C PHE A 63 5.446 -0.407 1.218 1.00 0.49 C ATOM 991 O PHE A 63 5.420 0.781 1.536 1.00 0.66 O ATOM 992 CB PHE A 63 5.998 -0.137 -1.206 1.00 0.47 C ATOM 993 CG PHE A 63 5.917 -0.649 -2.636 1.00 0.46 C ATOM 994 CD1 PHE A 63 4.718 -0.541 -3.365 1.00 1.76 C ATOM 995 CD2 PHE A 63 7.038 -1.258 -3.234 1.00 1.70 C ATOM 996 CE1 PHE A 63 4.608 -1.135 -4.632 1.00 1.78 C ATOM 997 CE2 PHE A 63 6.940 -1.813 -4.523 1.00 1.68 C ATOM 998 CZ PHE A 63 5.710 -1.789 -5.204 1.00 0.48 C ATOM 0 H PHE A 63 3.670 0.741 -0.414 1.00 0.43 H new ATOM 0 HA PHE A 63 5.068 -1.868 -0.362 1.00 0.45 H new ATOM 0 HB2 PHE A 63 5.809 0.937 -1.214 1.00 0.47 H new ATOM 0 HB3 PHE A 63 7.018 -0.279 -0.848 1.00 0.47 H new ATOM 0 HD1 PHE A 63 3.881 -0.000 -2.949 1.00 1.76 H new ATOM 0 HD2 PHE A 63 7.976 -1.299 -2.701 1.00 1.70 H new ATOM 0 HE1 PHE A 63 3.672 -1.089 -5.169 1.00 1.78 H new ATOM 0 HE2 PHE A 63 7.808 -2.257 -4.989 1.00 1.68 H new ATOM 0 HZ PHE A 63 5.614 -2.273 -6.165 1.00 0.48 H new ATOM 1008 N VAL A 64 5.811 -1.375 2.053 1.00 0.44 N ATOM 1009 CA VAL A 64 6.363 -1.136 3.383 1.00 0.47 C ATOM 1010 C VAL A 64 7.859 -1.371 3.274 1.00 0.48 C ATOM 1011 O VAL A 64 8.235 -2.395 2.712 1.00 0.54 O ATOM 1012 CB VAL A 64 5.748 -2.118 4.393 1.00 0.56 C ATOM 1013 CG1 VAL A 64 6.530 -2.069 5.710 1.00 0.75 C ATOM 1014 CG2 VAL A 64 4.280 -1.776 4.663 1.00 0.66 C ATOM 0 H VAL A 64 5.730 -2.365 1.821 1.00 0.44 H new ATOM 0 HA VAL A 64 6.144 -0.125 3.727 1.00 0.47 H new ATOM 0 HB VAL A 64 5.802 -3.120 3.968 1.00 0.56 H new ATOM 0 HG11 VAL A 64 6.089 -2.767 6.421 1.00 0.75 H new ATOM 0 HG12 VAL A 64 7.568 -2.345 5.527 1.00 0.75 H new ATOM 0 HG13 VAL A 64 6.490 -1.060 6.120 1.00 0.75 H new ATOM 0 HG21 VAL A 64 3.867 -2.485 5.381 1.00 0.66 H new ATOM 0 HG22 VAL A 64 4.210 -0.767 5.069 1.00 0.66 H new ATOM 0 HG23 VAL A 64 3.716 -1.832 3.732 1.00 0.66 H new ATOM 1024 N ASP A 65 8.709 -0.467 3.776 1.00 0.61 N ATOM 1025 CA ASP A 65 10.165 -0.641 3.734 1.00 0.83 C ATOM 1026 C ASP A 65 10.607 -1.076 2.328 1.00 0.93 C ATOM 1027 O ASP A 65 11.354 -2.037 2.156 1.00 2.04 O ATOM 1028 CB ASP A 65 10.648 -1.637 4.810 1.00 1.05 C ATOM 1029 CG ASP A 65 10.519 -1.146 6.237 1.00 1.76 C ATOM 1030 OD1 ASP A 65 10.814 0.045 6.473 1.00 2.31 O ATOM 1031 OD2 ASP A 65 10.214 -1.983 7.116 1.00 3.11 O ATOM 0 H ASP A 65 8.409 0.401 4.220 1.00 0.61 H new ATOM 0 HA ASP A 65 10.630 0.319 3.958 1.00 0.83 H new ATOM 0 HB2 ASP A 65 10.082 -2.563 4.707 1.00 1.05 H new ATOM 0 HB3 ASP A 65 11.693 -1.879 4.617 1.00 1.05 H new ATOM 1036 N GLN A 66 10.090 -0.389 1.310 1.00 0.71 N ATOM 1037 CA GLN A 66 10.329 -0.636 -0.105 1.00 0.74 C ATOM 1038 C GLN A 66 10.116 -2.096 -0.546 1.00 0.71 C ATOM 1039 O GLN A 66 10.605 -2.495 -1.604 1.00 0.98 O ATOM 1040 CB GLN A 66 11.705 -0.074 -0.508 1.00 1.00 C ATOM 1041 CG GLN A 66 11.613 0.687 -1.837 1.00 2.33 C ATOM 1042 CD GLN A 66 12.947 1.267 -2.295 1.00 2.73 C ATOM 1043 OE1 GLN A 66 13.382 1.026 -3.417 1.00 3.33 O ATOM 1044 NE2 GLN A 66 13.621 2.036 -1.455 1.00 3.36 N ATOM 0 H GLN A 66 9.459 0.398 1.463 1.00 0.71 H new ATOM 0 HA GLN A 66 9.559 -0.097 -0.657 1.00 0.74 H new ATOM 0 HB2 GLN A 66 12.074 0.591 0.273 1.00 1.00 H new ATOM 0 HB3 GLN A 66 12.423 -0.889 -0.599 1.00 1.00 H new ATOM 0 HG2 GLN A 66 11.234 0.015 -2.607 1.00 2.33 H new ATOM 0 HG3 GLN A 66 10.889 1.496 -1.735 1.00 2.33 H new ATOM 0 HE21 GLN A 66 13.246 2.227 -0.526 1.00 3.36 H new ATOM 0 HE22 GLN A 66 14.515 2.438 -1.737 1.00 3.36 H new ATOM 1053 N GLN A 67 9.341 -2.887 0.191 1.00 0.63 N ATOM 1054 CA GLN A 67 8.890 -4.216 -0.164 1.00 0.62 C ATOM 1055 C GLN A 67 7.409 -4.081 -0.495 1.00 0.46 C ATOM 1056 O GLN A 67 6.650 -3.496 0.275 1.00 0.50 O ATOM 1057 CB GLN A 67 9.167 -5.149 1.020 1.00 0.71 C ATOM 1058 CG GLN A 67 8.280 -6.391 1.082 1.00 0.80 C ATOM 1059 CD GLN A 67 8.661 -7.243 2.288 1.00 1.22 C ATOM 1060 OE1 GLN A 67 7.877 -7.416 3.216 1.00 2.25 O ATOM 1061 NE2 GLN A 67 9.877 -7.767 2.307 1.00 2.30 N ATOM 0 H GLN A 67 8.994 -2.594 1.104 1.00 0.63 H new ATOM 0 HA GLN A 67 9.405 -4.644 -1.024 1.00 0.62 H new ATOM 0 HB2 GLN A 67 10.209 -5.466 0.978 1.00 0.71 H new ATOM 0 HB3 GLN A 67 9.043 -4.585 1.945 1.00 0.71 H new ATOM 0 HG2 GLN A 67 7.233 -6.097 1.150 1.00 0.80 H new ATOM 0 HG3 GLN A 67 8.389 -6.972 0.166 1.00 0.80 H new ATOM 0 HE21 GLN A 67 10.512 -7.610 1.524 1.00 2.30 H new ATOM 0 HE22 GLN A 67 10.178 -8.327 3.104 1.00 2.30 H new ATOM 1070 N HIS A 68 7.010 -4.582 -1.661 1.00 0.42 N ATOM 1071 CA HIS A 68 5.625 -4.572 -2.089 1.00 0.38 C ATOM 1072 C HIS A 68 4.797 -5.441 -1.156 1.00 0.39 C ATOM 1073 O HIS A 68 5.085 -6.632 -1.010 1.00 0.51 O ATOM 1074 CB HIS A 68 5.534 -5.114 -3.515 1.00 0.49 C ATOM 1075 CG HIS A 68 4.130 -5.489 -3.905 1.00 0.54 C ATOM 1076 ND1 HIS A 68 3.655 -6.769 -4.074 1.00 0.67 N ATOM 1077 CD2 HIS A 68 3.060 -4.644 -3.940 1.00 0.75 C ATOM 1078 CE1 HIS A 68 2.327 -6.693 -4.245 1.00 0.69 C ATOM 1079 NE2 HIS A 68 1.925 -5.418 -4.191 1.00 0.84 N ATOM 0 H HIS A 68 7.646 -5.007 -2.335 1.00 0.42 H new ATOM 0 HA HIS A 68 5.241 -3.552 -2.063 1.00 0.38 H new ATOM 0 HB2 HIS A 68 5.911 -4.363 -4.209 1.00 0.49 H new ATOM 0 HB3 HIS A 68 6.179 -5.988 -3.609 1.00 0.49 H new ATOM 0 HD1 HIS A 68 4.213 -7.623 -4.070 1.00 0.67 H new ATOM 0 HD2 HIS A 68 3.086 -3.573 -3.799 1.00 0.75 H new ATOM 0 HE1 HIS A 68 1.675 -7.540 -4.404 1.00 0.69 H new ATOM 1087 N ILE A 69 3.733 -4.863 -0.609 1.00 0.43 N ATOM 1088 CA ILE A 69 2.702 -5.610 0.073 1.00 0.54 C ATOM 1089 C ILE A 69 1.509 -5.758 -0.869 1.00 0.69 C ATOM 1090 O ILE A 69 1.172 -6.880 -1.242 1.00 0.85 O ATOM 1091 CB ILE A 69 2.332 -4.918 1.386 1.00 0.56 C ATOM 1092 CG1 ILE A 69 3.550 -4.597 2.271 1.00 0.58 C ATOM 1093 CG2 ILE A 69 1.345 -5.826 2.114 1.00 0.70 C ATOM 1094 CD1 ILE A 69 4.420 -5.816 2.580 1.00 0.68 C ATOM 0 H ILE A 69 3.568 -3.857 -0.631 1.00 0.43 H new ATOM 0 HA ILE A 69 3.055 -6.607 0.336 1.00 0.54 H new ATOM 0 HB ILE A 69 1.886 -3.949 1.162 1.00 0.56 H new ATOM 0 HG12 ILE A 69 4.160 -3.842 1.775 1.00 0.58 H new ATOM 0 HG13 ILE A 69 3.203 -4.162 3.208 1.00 0.58 H new ATOM 0 HG21 ILE A 69 1.056 -5.366 3.059 1.00 0.70 H new ATOM 0 HG22 ILE A 69 0.460 -5.971 1.495 1.00 0.70 H new ATOM 0 HG23 ILE A 69 1.814 -6.791 2.309 1.00 0.70 H new ATOM 0 HD11 ILE A 69 5.259 -5.515 3.207 1.00 0.68 H new ATOM 0 HD12 ILE A 69 3.825 -6.564 3.104 1.00 0.68 H new ATOM 0 HD13 ILE A 69 4.797 -6.239 1.649 1.00 0.68 H new ATOM 1106 N GLY A 70 0.900 -4.637 -1.266 1.00 0.74 N ATOM 1107 CA GLY A 70 -0.220 -4.624 -2.204 1.00 0.94 C ATOM 1108 C GLY A 70 -1.451 -3.900 -1.671 1.00 0.86 C ATOM 1109 O GLY A 70 -1.323 -2.820 -1.093 1.00 1.14 O ATOM 0 H GLY A 70 1.174 -3.709 -0.942 1.00 0.74 H new ATOM 0 HA2 GLY A 70 0.099 -4.148 -3.131 1.00 0.94 H new ATOM 0 HA3 GLY A 70 -0.490 -5.651 -2.449 1.00 0.94 H new ATOM 1113 N GLY A 71 -2.639 -4.453 -1.925 1.00 0.83 N ATOM 1114 CA GLY A 71 -3.908 -3.813 -1.619 1.00 0.83 C ATOM 1115 C GLY A 71 -4.320 -4.035 -0.172 1.00 0.68 C ATOM 1116 O GLY A 71 -3.479 -4.290 0.681 1.00 0.74 O ATOM 0 H GLY A 71 -2.742 -5.372 -2.356 1.00 0.83 H new ATOM 0 HA2 GLY A 71 -3.832 -2.743 -1.815 1.00 0.83 H new ATOM 0 HA3 GLY A 71 -4.681 -4.204 -2.281 1.00 0.83 H new ATOM 1120 N TYR A 72 -5.607 -3.914 0.142 1.00 0.63 N ATOM 1121 CA TYR A 72 -6.056 -3.957 1.521 1.00 0.57 C ATOM 1122 C TYR A 72 -5.920 -5.354 2.100 1.00 0.56 C ATOM 1123 O TYR A 72 -5.331 -5.492 3.162 1.00 0.55 O ATOM 1124 CB TYR A 72 -7.516 -3.493 1.630 1.00 0.59 C ATOM 1125 CG TYR A 72 -8.221 -3.870 2.919 1.00 0.56 C ATOM 1126 CD1 TYR A 72 -7.666 -3.543 4.171 1.00 1.23 C ATOM 1127 CD2 TYR A 72 -9.464 -4.524 2.856 1.00 1.39 C ATOM 1128 CE1 TYR A 72 -8.340 -3.903 5.351 1.00 1.25 C ATOM 1129 CE2 TYR A 72 -10.141 -4.868 4.036 1.00 1.50 C ATOM 1130 CZ TYR A 72 -9.575 -4.566 5.281 1.00 0.82 C ATOM 1131 OH TYR A 72 -10.171 -5.037 6.412 1.00 1.01 O ATOM 0 H TYR A 72 -6.353 -3.786 -0.542 1.00 0.63 H new ATOM 0 HA TYR A 72 -5.422 -3.280 2.094 1.00 0.57 H new ATOM 0 HB2 TYR A 72 -7.544 -2.409 1.523 1.00 0.59 H new ATOM 0 HB3 TYR A 72 -8.076 -3.910 0.793 1.00 0.59 H new ATOM 0 HD1 TYR A 72 -6.724 -3.017 4.225 1.00 1.23 H new ATOM 0 HD2 TYR A 72 -9.899 -4.762 1.897 1.00 1.39 H new ATOM 0 HE1 TYR A 72 -7.907 -3.669 6.312 1.00 1.25 H new ATOM 0 HE2 TYR A 72 -11.098 -5.365 3.984 1.00 1.50 H new ATOM 0 HH TYR A 72 -11.020 -5.468 6.179 1.00 1.01 H new ATOM 1141 N THR A 73 -6.485 -6.385 1.481 1.00 0.63 N ATOM 1142 CA THR A 73 -6.332 -7.720 2.047 1.00 0.61 C ATOM 1143 C THR A 73 -4.849 -8.106 2.094 1.00 0.67 C ATOM 1144 O THR A 73 -4.388 -8.653 3.095 1.00 0.71 O ATOM 1145 CB THR A 73 -7.224 -8.759 1.362 1.00 0.88 C ATOM 1146 OG1 THR A 73 -8.027 -8.189 0.347 1.00 2.07 O ATOM 1147 CG2 THR A 73 -8.175 -9.422 2.360 1.00 1.71 C ATOM 0 H THR A 73 -7.032 -6.329 0.622 1.00 0.63 H new ATOM 0 HA THR A 73 -6.690 -7.701 3.076 1.00 0.61 H new ATOM 0 HB THR A 73 -6.540 -9.490 0.931 1.00 0.88 H new ATOM 0 HG1 THR A 73 -8.964 -8.190 0.633 1.00 2.07 H new ATOM 0 HG21 THR A 73 -8.794 -10.154 1.841 1.00 1.71 H new ATOM 0 HG22 THR A 73 -7.596 -9.921 3.137 1.00 1.71 H new ATOM 0 HG23 THR A 73 -8.813 -8.664 2.814 1.00 1.71 H new ATOM 1155 N ASP A 74 -4.091 -7.757 1.052 1.00 0.79 N ATOM 1156 CA ASP A 74 -2.653 -7.966 1.020 1.00 0.90 C ATOM 1157 C ASP A 74 -2.018 -7.317 2.255 1.00 0.82 C ATOM 1158 O ASP A 74 -1.195 -7.904 2.953 1.00 0.86 O ATOM 1159 CB ASP A 74 -2.066 -7.329 -0.249 1.00 1.05 C ATOM 1160 CG ASP A 74 -2.570 -7.906 -1.555 1.00 1.16 C ATOM 1161 OD1 ASP A 74 -2.173 -9.051 -1.859 1.00 1.79 O ATOM 1162 OD2 ASP A 74 -3.315 -7.203 -2.280 1.00 2.40 O ATOM 0 H ASP A 74 -4.464 -7.321 0.208 1.00 0.79 H new ATOM 0 HA ASP A 74 -2.443 -9.036 1.018 1.00 0.90 H new ATOM 0 HB2 ASP A 74 -2.285 -6.261 -0.234 1.00 1.05 H new ATOM 0 HB3 ASP A 74 -0.981 -7.433 -0.219 1.00 1.05 H new ATOM 1167 N PHE A 75 -2.405 -6.072 2.511 1.00 0.73 N ATOM 1168 CA PHE A 75 -1.788 -5.232 3.516 1.00 0.67 C ATOM 1169 C PHE A 75 -2.186 -5.722 4.896 1.00 0.63 C ATOM 1170 O PHE A 75 -1.340 -6.075 5.700 1.00 0.72 O ATOM 1171 CB PHE A 75 -2.205 -3.779 3.278 1.00 0.60 C ATOM 1172 CG PHE A 75 -1.691 -2.802 4.306 1.00 0.51 C ATOM 1173 CD1 PHE A 75 -0.303 -2.671 4.505 1.00 1.90 C ATOM 1174 CD2 PHE A 75 -2.572 -1.879 4.888 1.00 2.00 C ATOM 1175 CE1 PHE A 75 0.203 -1.573 5.217 1.00 1.94 C ATOM 1176 CE2 PHE A 75 -2.066 -0.792 5.611 1.00 1.97 C ATOM 1177 CZ PHE A 75 -0.681 -0.602 5.715 1.00 0.62 C ATOM 0 H PHE A 75 -3.170 -5.616 2.014 1.00 0.73 H new ATOM 0 HA PHE A 75 -0.701 -5.285 3.448 1.00 0.67 H new ATOM 0 HB2 PHE A 75 -1.852 -3.470 2.294 1.00 0.60 H new ATOM 0 HB3 PHE A 75 -3.294 -3.726 3.258 1.00 0.60 H new ATOM 0 HD1 PHE A 75 0.372 -3.416 4.110 1.00 1.90 H new ATOM 0 HD2 PHE A 75 -3.639 -2.006 4.779 1.00 2.00 H new ATOM 0 HE1 PHE A 75 1.266 -1.475 5.381 1.00 1.94 H new ATOM 0 HE2 PHE A 75 -2.743 -0.099 6.089 1.00 1.97 H new ATOM 0 HZ PHE A 75 -0.293 0.293 6.179 1.00 0.62 H new ATOM 1187 N ALA A 76 -3.477 -5.792 5.172 1.00 0.65 N ATOM 1188 CA ALA A 76 -4.007 -6.344 6.402 1.00 0.65 C ATOM 1189 C ALA A 76 -3.423 -7.739 6.688 1.00 0.72 C ATOM 1190 O ALA A 76 -3.247 -8.109 7.850 1.00 0.80 O ATOM 1191 CB ALA A 76 -5.532 -6.333 6.302 1.00 0.79 C ATOM 0 H ALA A 76 -4.199 -5.459 4.533 1.00 0.65 H new ATOM 0 HA ALA A 76 -3.711 -5.736 7.257 1.00 0.65 H new ATOM 0 HB1 ALA A 76 -5.960 -6.744 7.216 1.00 0.79 H new ATOM 0 HB2 ALA A 76 -5.880 -5.309 6.167 1.00 0.79 H new ATOM 0 HB3 ALA A 76 -5.845 -6.938 5.451 1.00 0.79 H new ATOM 1197 N ALA A 77 -3.096 -8.514 5.647 1.00 0.79 N ATOM 1198 CA ALA A 77 -2.391 -9.776 5.820 1.00 0.85 C ATOM 1199 C ALA A 77 -0.973 -9.532 6.358 1.00 0.81 C ATOM 1200 O ALA A 77 -0.572 -10.192 7.313 1.00 0.95 O ATOM 1201 CB ALA A 77 -2.408 -10.609 4.539 1.00 0.93 C ATOM 0 H ALA A 77 -3.312 -8.283 4.677 1.00 0.79 H new ATOM 0 HA ALA A 77 -2.918 -10.368 6.568 1.00 0.85 H new ATOM 0 HB1 ALA A 77 -1.873 -11.544 4.706 1.00 0.93 H new ATOM 0 HB2 ALA A 77 -3.439 -10.826 4.260 1.00 0.93 H new ATOM 0 HB3 ALA A 77 -1.925 -10.052 3.736 1.00 0.93 H new ATOM 1207 N TRP A 78 -0.228 -8.572 5.797 1.00 0.70 N ATOM 1208 CA TRP A 78 1.067 -8.167 6.342 1.00 0.65 C ATOM 1209 C TRP A 78 0.889 -7.769 7.812 1.00 0.64 C ATOM 1210 O TRP A 78 1.663 -8.186 8.672 1.00 0.66 O ATOM 1211 CB TRP A 78 1.657 -6.990 5.542 1.00 0.63 C ATOM 1212 CG TRP A 78 2.953 -6.426 6.053 1.00 0.70 C ATOM 1213 CD1 TRP A 78 4.181 -6.813 5.644 1.00 0.88 C ATOM 1214 CD2 TRP A 78 3.193 -5.424 7.093 1.00 0.74 C ATOM 1215 NE1 TRP A 78 5.148 -6.102 6.312 1.00 0.98 N ATOM 1216 CE2 TRP A 78 4.599 -5.257 7.242 1.00 0.91 C ATOM 1217 CE3 TRP A 78 2.376 -4.645 7.941 1.00 0.78 C ATOM 1218 CZ2 TRP A 78 5.165 -4.397 8.187 1.00 1.06 C ATOM 1219 CZ3 TRP A 78 2.932 -3.840 8.955 1.00 1.02 C ATOM 1220 CH2 TRP A 78 4.326 -3.714 9.078 1.00 1.12 C ATOM 0 H TRP A 78 -0.505 -8.060 4.960 1.00 0.70 H new ATOM 0 HA TRP A 78 1.761 -9.004 6.267 1.00 0.65 H new ATOM 0 HB2 TRP A 78 1.807 -7.316 4.513 1.00 0.63 H new ATOM 0 HB3 TRP A 78 0.920 -6.188 5.518 1.00 0.63 H new ATOM 0 HD1 TRP A 78 4.374 -7.571 4.900 1.00 0.88 H new ATOM 0 HE1 TRP A 78 6.149 -6.191 6.138 1.00 0.98 H new ATOM 0 HE3 TRP A 78 1.304 -4.667 7.810 1.00 0.78 H new ATOM 0 HZ2 TRP A 78 6.235 -4.260 8.230 1.00 1.06 H new ATOM 0 HZ3 TRP A 78 2.283 -3.317 9.642 1.00 1.02 H new ATOM 0 HH2 TRP A 78 4.749 -3.094 9.855 1.00 1.12 H new ATOM 1231 N VAL A 79 -0.118 -6.939 8.096 1.00 0.70 N ATOM 1232 CA VAL A 79 -0.366 -6.401 9.424 1.00 0.77 C ATOM 1233 C VAL A 79 -0.514 -7.547 10.422 1.00 0.79 C ATOM 1234 O VAL A 79 0.187 -7.540 11.432 1.00 0.82 O ATOM 1235 CB VAL A 79 -1.568 -5.435 9.426 1.00 0.82 C ATOM 1236 CG1 VAL A 79 -1.788 -4.824 10.812 1.00 0.83 C ATOM 1237 CG2 VAL A 79 -1.372 -4.232 8.491 1.00 0.98 C ATOM 0 H VAL A 79 -0.789 -6.621 7.397 1.00 0.70 H new ATOM 0 HA VAL A 79 0.489 -5.802 9.737 1.00 0.77 H new ATOM 0 HB VAL A 79 -2.409 -6.047 9.100 1.00 0.82 H new ATOM 0 HG11 VAL A 79 -2.642 -4.148 10.780 1.00 0.83 H new ATOM 0 HG12 VAL A 79 -1.981 -5.618 11.533 1.00 0.83 H new ATOM 0 HG13 VAL A 79 -0.898 -4.270 11.111 1.00 0.83 H new ATOM 0 HG21 VAL A 79 -2.251 -3.589 8.536 1.00 0.98 H new ATOM 0 HG22 VAL A 79 -0.493 -3.668 8.803 1.00 0.98 H new ATOM 0 HG23 VAL A 79 -1.232 -4.584 7.469 1.00 0.98 H new ATOM 1247 N LYS A 80 -1.363 -8.546 10.156 1.00 0.80 N ATOM 1248 CA LYS A 80 -1.559 -9.603 11.144 1.00 0.85 C ATOM 1249 C LYS A 80 -0.238 -10.270 11.531 1.00 0.89 C ATOM 1250 O LYS A 80 -0.004 -10.542 12.705 1.00 1.79 O ATOM 1251 CB LYS A 80 -2.635 -10.628 10.752 1.00 1.19 C ATOM 1252 CG LYS A 80 -2.439 -11.301 9.389 1.00 2.92 C ATOM 1253 CD LYS A 80 -3.435 -12.455 9.192 1.00 3.75 C ATOM 1254 CE LYS A 80 -2.927 -13.778 9.787 1.00 5.26 C ATOM 1255 NZ LYS A 80 -2.270 -14.645 8.785 1.00 6.95 N ATOM 0 H LYS A 80 -1.905 -8.642 9.297 1.00 0.80 H new ATOM 0 HA LYS A 80 -1.949 -9.107 12.033 1.00 0.85 H new ATOM 0 HB2 LYS A 80 -2.671 -11.402 11.518 1.00 1.19 H new ATOM 0 HB3 LYS A 80 -3.605 -10.130 10.756 1.00 1.19 H new ATOM 0 HG2 LYS A 80 -2.569 -10.565 8.595 1.00 2.92 H new ATOM 0 HG3 LYS A 80 -1.420 -11.679 9.310 1.00 2.92 H new ATOM 0 HD2 LYS A 80 -4.386 -12.193 9.656 1.00 3.75 H new ATOM 0 HD3 LYS A 80 -3.626 -12.589 8.127 1.00 3.75 H new ATOM 0 HE2 LYS A 80 -2.223 -13.562 10.591 1.00 5.26 H new ATOM 0 HE3 LYS A 80 -3.764 -14.316 10.232 1.00 5.26 H new ATOM 0 HZ1 LYS A 80 -1.948 -15.522 9.242 1.00 6.95 H new ATOM 0 HZ2 LYS A 80 -2.946 -14.877 8.030 1.00 6.95 H new ATOM 0 HZ3 LYS A 80 -1.453 -14.147 8.377 1.00 6.95 H new ATOM 1269 N GLU A 81 0.638 -10.523 10.557 1.00 0.75 N ATOM 1270 CA GLU A 81 1.904 -11.183 10.825 1.00 0.83 C ATOM 1271 C GLU A 81 3.015 -10.201 11.203 1.00 0.95 C ATOM 1272 O GLU A 81 4.169 -10.615 11.271 1.00 1.31 O ATOM 1273 CB GLU A 81 2.279 -12.089 9.647 1.00 0.96 C ATOM 1274 CG GLU A 81 2.548 -11.327 8.341 1.00 1.75 C ATOM 1275 CD GLU A 81 2.716 -12.250 7.162 1.00 1.85 C ATOM 1276 OE1 GLU A 81 2.503 -13.467 7.347 1.00 2.43 O ATOM 1277 OE2 GLU A 81 3.000 -11.743 6.058 1.00 2.78 O ATOM 0 H GLU A 81 0.488 -10.279 9.578 1.00 0.75 H new ATOM 0 HA GLU A 81 1.780 -11.813 11.706 1.00 0.83 H new ATOM 0 HB2 GLU A 81 3.167 -12.664 9.911 1.00 0.96 H new ATOM 0 HB3 GLU A 81 1.474 -12.805 9.480 1.00 0.96 H new ATOM 0 HG2 GLU A 81 1.723 -10.641 8.147 1.00 1.75 H new ATOM 0 HG3 GLU A 81 3.447 -10.721 8.456 1.00 1.75 H new ATOM 1284 N ASN A 82 2.723 -8.920 11.435 1.00 1.17 N ATOM 1285 CA ASN A 82 3.736 -7.926 11.794 1.00 1.45 C ATOM 1286 C ASN A 82 3.398 -7.211 13.092 1.00 1.59 C ATOM 1287 O ASN A 82 4.315 -6.780 13.796 1.00 1.99 O ATOM 1288 CB ASN A 82 3.935 -6.902 10.671 1.00 1.64 C ATOM 1289 CG ASN A 82 4.940 -7.399 9.641 1.00 1.54 C ATOM 1290 OD1 ASN A 82 6.106 -7.017 9.678 1.00 2.11 O ATOM 1291 ND2 ASN A 82 4.516 -8.242 8.712 1.00 1.28 N ATOM 0 H ASN A 82 1.777 -8.542 11.379 1.00 1.17 H new ATOM 0 HA ASN A 82 4.668 -8.472 11.941 1.00 1.45 H new ATOM 0 HB2 ASN A 82 2.980 -6.703 10.184 1.00 1.64 H new ATOM 0 HB3 ASN A 82 4.280 -5.958 11.093 1.00 1.64 H new ATOM 0 HD21 ASN A 82 5.164 -8.590 8.005 1.00 1.28 H new ATOM 0 HD22 ASN A 82 3.542 -8.544 8.704 1.00 1.28 H new ATOM 1298 N LEU A 83 2.110 -7.010 13.372 1.00 1.50 N ATOM 1299 CA LEU A 83 1.613 -6.353 14.570 1.00 1.71 C ATOM 1300 C LEU A 83 0.946 -7.396 15.466 1.00 1.62 C ATOM 1301 O LEU A 83 1.352 -7.578 16.615 1.00 1.78 O ATOM 1302 CB LEU A 83 0.619 -5.232 14.220 1.00 1.93 C ATOM 1303 CG LEU A 83 1.065 -4.275 13.104 1.00 1.94 C ATOM 1304 CD1 LEU A 83 0.157 -3.039 13.112 1.00 2.40 C ATOM 1305 CD2 LEU A 83 2.503 -3.789 13.260 1.00 1.92 C ATOM 0 H LEU A 83 1.363 -7.312 12.747 1.00 1.50 H new ATOM 0 HA LEU A 83 2.450 -5.894 15.096 1.00 1.71 H new ATOM 0 HB2 LEU A 83 -0.327 -5.688 13.927 1.00 1.93 H new ATOM 0 HB3 LEU A 83 0.426 -4.648 15.120 1.00 1.93 H new ATOM 0 HG LEU A 83 0.998 -4.836 12.172 1.00 1.94 H new ATOM 0 HD11 LEU A 83 0.467 -2.355 12.322 1.00 2.40 H new ATOM 0 HD12 LEU A 83 -0.875 -3.345 12.942 1.00 2.40 H new ATOM 0 HD13 LEU A 83 0.233 -2.538 14.077 1.00 2.40 H new ATOM 0 HD21 LEU A 83 2.751 -3.117 12.438 1.00 1.92 H new ATOM 0 HD22 LEU A 83 2.607 -3.258 14.206 1.00 1.92 H new ATOM 0 HD23 LEU A 83 3.179 -4.644 13.247 1.00 1.92 H new