USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 717 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 40 TYR OH : rot 86:sc= 0.783 USER MOD Set 1.2: A 59 GLN : amide:sc= -0.988! C(o=-0.2!,f=-3.6!) USER MOD Single : A 5 LYS NZ :NH3+ -163:sc= -0.0212 (180deg=-0.306) USER MOD Single : A 10 SER OG : rot -17:sc= 0.795 USER MOD Single : A 12 SER OG : rot 180:sc= -0.172 USER MOD Single : A 13 THR OG1 : rot 64:sc= 0.975 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.0624 USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= -2.86! (180deg=-3.52) USER MOD Single : A 23 THR OG1 : rot -39:sc= 0.479 USER MOD Single : A 26 HIS : no HD1:sc= -2.94 K(o=-2.9,f=-5.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0039) USER MOD Single : A 30 TYR OH : rot -72:sc= 1.23 USER MOD Single : A 32 SER OG : rot -86:sc= 0.582 USER MOD Single : A 35 THR OG1 : rot 70:sc= 0.0974 USER MOD Single : A 36 THR OG1 : rot -47:sc= 0.913 USER MOD Single : A 37 LYS NZ :NH3+ -161:sc= -0.0424 (180deg=-0.536) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc=-0.00363 K(o=-0.0036,f=-0.95) USER MOD Single : A 43 TYR OH : rot 180:sc= 0.13 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -116:sc= -0.311 USER MOD Single : A 58 LYS NZ :NH3+ -158:sc= -0.918! (180deg=-1.26!) USER MOD Single : A 61 GLN : amide:sc= -2.74! C(o=-2.7!,f=-3.2!) USER MOD Single : A 63 SER OG : rot 47:sc= 0.324 USER MOD Single : A 70 ASN : amide:sc= -0.205 K(o=-0.21,f=-1.5!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 77 ASN : amide:sc= -0.0897 K(o=-0.09,f=-2.2!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -120:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -58:sc= 1.23 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 14 N ASP A 2 -10.531 -2.089 -2.889 1.00 0.00 N ATOM 15 CA ASP A 2 -10.392 -3.497 -2.422 1.00 0.00 C ATOM 16 C ASP A 2 -8.931 -3.817 -2.121 1.00 0.00 C ATOM 17 O ASP A 2 -8.027 -3.119 -2.534 1.00 0.00 O ATOM 18 CB ASP A 2 -10.899 -4.441 -3.509 1.00 0.00 C ATOM 19 CG ASP A 2 -12.423 -4.355 -3.587 1.00 0.00 C ATOM 20 OD1 ASP A 2 -13.015 -3.829 -2.659 1.00 0.00 O ATOM 21 OD2 ASP A 2 -12.973 -4.815 -4.572 1.00 0.00 O ATOM 0 HA ASP A 2 -10.977 -3.625 -1.511 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.459 -4.176 -4.470 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.592 -5.464 -3.290 1.00 0.00 H new ATOM 26 N LEU A 3 -8.699 -4.877 -1.396 1.00 0.00 N ATOM 27 CA LEU A 3 -7.305 -5.257 -1.053 1.00 0.00 C ATOM 28 C LEU A 3 -6.657 -5.978 -2.235 1.00 0.00 C ATOM 29 O LEU A 3 -7.159 -6.972 -2.724 1.00 0.00 O ATOM 30 CB LEU A 3 -7.334 -6.179 0.169 1.00 0.00 C ATOM 31 CG LEU A 3 -5.927 -6.702 0.482 1.00 0.00 C ATOM 32 CD1 LEU A 3 -4.952 -5.529 0.656 1.00 0.00 C ATOM 33 CD2 LEU A 3 -5.984 -7.517 1.778 1.00 0.00 C ATOM 0 H LEU A 3 -9.420 -5.497 -1.026 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.722 -4.364 -0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.727 -5.639 1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.007 -7.016 -0.016 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.579 -7.326 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.956 -5.913 0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.919 -4.944 -0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.288 -4.896 1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.989 -7.896 2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.333 -6.882 2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.671 -8.354 1.651 1.00 0.00 H new ATOM 45 N VAL A 4 -5.535 -5.485 -2.692 1.00 0.00 N ATOM 46 CA VAL A 4 -4.829 -6.130 -3.840 1.00 0.00 C ATOM 47 C VAL A 4 -3.325 -6.163 -3.568 1.00 0.00 C ATOM 48 O VAL A 4 -2.816 -5.468 -2.710 1.00 0.00 O ATOM 49 CB VAL A 4 -5.099 -5.341 -5.120 1.00 0.00 C ATOM 50 CG1 VAL A 4 -6.589 -5.417 -5.451 1.00 0.00 C ATOM 51 CG2 VAL A 4 -4.689 -3.878 -4.920 1.00 0.00 C ATOM 0 H VAL A 4 -5.074 -4.657 -2.316 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.197 -7.149 -3.959 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.520 -5.765 -5.940 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.788 -4.856 -6.364 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.877 -6.458 -5.595 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -7.166 -4.991 -4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.883 -3.318 -5.835 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.266 -3.447 -4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.627 -3.827 -4.681 1.00 0.00 H new ATOM 61 N LYS A 5 -2.613 -6.974 -4.299 1.00 0.00 N ATOM 62 CA LYS A 5 -1.143 -7.073 -4.102 1.00 0.00 C ATOM 63 C LYS A 5 -0.442 -5.856 -4.720 1.00 0.00 C ATOM 64 O LYS A 5 -0.982 -5.169 -5.563 1.00 0.00 O ATOM 65 CB LYS A 5 -0.633 -8.355 -4.763 1.00 0.00 C ATOM 66 CG LYS A 5 -1.133 -9.567 -3.972 1.00 0.00 C ATOM 67 CD LYS A 5 -0.624 -10.856 -4.623 1.00 0.00 C ATOM 68 CE LYS A 5 -1.160 -12.068 -3.854 1.00 0.00 C ATOM 69 NZ LYS A 5 -0.561 -12.097 -2.488 1.00 0.00 N ATOM 0 H LYS A 5 -2.991 -7.577 -5.030 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.924 -7.097 -3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.983 -8.410 -5.794 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.457 -8.352 -4.796 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.786 -9.508 -2.940 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.223 -9.569 -3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.946 -10.901 -5.663 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.466 -10.868 -4.626 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.247 -12.016 -3.785 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.918 -12.987 -4.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.686 -13.043 -2.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.454 -11.877 -2.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.033 -11.391 -1.887 1.00 0.00 H new ATOM 83 N ILE A 6 0.760 -5.585 -4.285 1.00 0.00 N ATOM 84 CA ILE A 6 1.518 -4.417 -4.817 1.00 0.00 C ATOM 85 C ILE A 6 1.786 -4.603 -6.319 1.00 0.00 C ATOM 86 O ILE A 6 1.668 -3.682 -7.099 1.00 0.00 O ATOM 87 CB ILE A 6 2.845 -4.305 -4.061 1.00 0.00 C ATOM 88 CG1 ILE A 6 2.566 -3.920 -2.605 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.724 -3.232 -4.711 1.00 0.00 C ATOM 90 CD1 ILE A 6 3.846 -4.064 -1.778 1.00 0.00 C ATOM 0 H ILE A 6 1.253 -6.129 -3.577 1.00 0.00 H new ATOM 0 HA ILE A 6 0.935 -3.507 -4.678 1.00 0.00 H new ATOM 0 HB ILE A 6 3.363 -5.263 -4.097 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.202 -2.894 -2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.783 -4.557 -2.194 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.667 -3.157 -4.169 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.922 -3.503 -5.748 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.209 -2.272 -4.679 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.643 -3.789 -0.743 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.191 -5.097 -1.818 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.617 -3.408 -2.183 1.00 0.00 H new ATOM 102 N ARG A 7 2.165 -5.784 -6.728 1.00 0.00 N ATOM 103 CA ARG A 7 2.453 -6.011 -8.175 1.00 0.00 C ATOM 104 C ARG A 7 1.157 -5.892 -8.982 1.00 0.00 C ATOM 105 O ARG A 7 1.172 -5.704 -10.182 1.00 0.00 O ATOM 106 CB ARG A 7 3.072 -7.405 -8.358 1.00 0.00 C ATOM 107 CG ARG A 7 2.020 -8.497 -8.120 1.00 0.00 C ATOM 108 CD ARG A 7 2.695 -9.871 -8.173 1.00 0.00 C ATOM 109 NE ARG A 7 1.681 -10.943 -7.940 1.00 0.00 N ATOM 110 CZ ARG A 7 1.000 -11.444 -8.939 1.00 0.00 C ATOM 111 NH1 ARG A 7 1.185 -10.998 -10.151 1.00 0.00 N ATOM 112 NH2 ARG A 7 0.129 -12.392 -8.721 1.00 0.00 N ATOM 0 H ARG A 7 2.287 -6.598 -6.126 1.00 0.00 H new ATOM 0 HA ARG A 7 3.158 -5.260 -8.533 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.480 -7.499 -9.364 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.902 -7.534 -7.664 1.00 0.00 H new ATOM 0 HG2 ARG A 7 1.541 -8.352 -7.152 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.237 -8.434 -8.876 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.173 -10.014 -9.142 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.480 -9.930 -7.419 1.00 0.00 H new ATOM 0 HE ARG A 7 1.518 -11.288 -6.994 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.863 -10.256 -10.323 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.652 -11.392 -10.926 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.019 -12.740 -7.774 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.403 -12.784 -9.498 1.00 0.00 H new ATOM 126 N ASP A 8 0.034 -5.998 -8.329 1.00 0.00 N ATOM 127 CA ASP A 8 -1.265 -5.888 -9.049 1.00 0.00 C ATOM 128 C ASP A 8 -1.627 -4.406 -9.207 1.00 0.00 C ATOM 129 O ASP A 8 -2.639 -4.059 -9.784 1.00 0.00 O ATOM 130 CB ASP A 8 -2.353 -6.593 -8.235 1.00 0.00 C ATOM 131 CG ASP A 8 -2.089 -8.100 -8.218 1.00 0.00 C ATOM 132 OD1 ASP A 8 -1.253 -8.544 -8.988 1.00 0.00 O ATOM 133 OD2 ASP A 8 -2.728 -8.784 -7.437 1.00 0.00 O ATOM 0 H ASP A 8 -0.040 -6.157 -7.324 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.185 -6.353 -10.031 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.368 -6.205 -7.216 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.333 -6.391 -8.667 1.00 0.00 H new ATOM 138 N VAL A 9 -0.812 -3.531 -8.680 1.00 0.00 N ATOM 139 CA VAL A 9 -1.112 -2.075 -8.777 1.00 0.00 C ATOM 140 C VAL A 9 -1.028 -1.610 -10.232 1.00 0.00 C ATOM 141 O VAL A 9 -0.080 -1.896 -10.939 1.00 0.00 O ATOM 142 CB VAL A 9 -0.106 -1.295 -7.928 1.00 0.00 C ATOM 143 CG1 VAL A 9 -0.288 0.210 -8.153 1.00 0.00 C ATOM 144 CG2 VAL A 9 -0.341 -1.617 -6.452 1.00 0.00 C ATOM 0 H VAL A 9 0.050 -3.764 -8.186 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.123 -1.894 -8.411 1.00 0.00 H new ATOM 0 HB VAL A 9 0.906 -1.580 -8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.432 0.758 -7.545 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.126 0.443 -9.205 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.299 0.501 -7.869 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.373 -1.064 -5.841 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.355 -1.330 -6.174 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.208 -2.686 -6.287 1.00 0.00 H new ATOM 154 N SER A 10 -2.016 -0.883 -10.677 1.00 0.00 N ATOM 155 CA SER A 10 -2.009 -0.381 -12.077 1.00 0.00 C ATOM 156 C SER A 10 -2.898 0.861 -12.176 1.00 0.00 C ATOM 157 O SER A 10 -3.652 1.178 -11.276 1.00 0.00 O ATOM 158 CB SER A 10 -2.540 -1.465 -13.016 1.00 0.00 C ATOM 159 OG SER A 10 -1.704 -2.612 -12.930 1.00 0.00 O ATOM 0 H SER A 10 -2.832 -0.615 -10.126 1.00 0.00 H new ATOM 0 HA SER A 10 -0.989 -0.124 -12.364 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.564 -1.726 -12.747 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.564 -1.095 -14.041 1.00 0.00 H new ATOM 0 HG SER A 10 -0.852 -2.365 -12.514 1.00 0.00 H new ATOM 165 N LEU A 11 -2.806 1.570 -13.263 1.00 0.00 N ATOM 166 CA LEU A 11 -3.632 2.799 -13.445 1.00 0.00 C ATOM 167 C LEU A 11 -5.118 2.423 -13.480 1.00 0.00 C ATOM 168 O LEU A 11 -5.964 3.135 -12.976 1.00 0.00 O ATOM 169 CB LEU A 11 -3.232 3.467 -14.758 1.00 0.00 C ATOM 170 CG LEU A 11 -1.767 3.929 -14.677 1.00 0.00 C ATOM 171 CD1 LEU A 11 -1.327 4.472 -16.042 1.00 0.00 C ATOM 172 CD2 LEU A 11 -1.603 5.023 -13.603 1.00 0.00 C ATOM 0 H LEU A 11 -2.187 1.350 -14.044 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.465 3.487 -12.616 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.359 2.769 -15.586 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.882 4.319 -14.957 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.144 3.078 -14.403 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.289 4.800 -15.986 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.420 3.687 -16.793 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.959 5.316 -16.319 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.560 5.337 -13.560 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.230 5.878 -13.856 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.903 4.628 -12.632 1.00 0.00 H new ATOM 184 N SER A 12 -5.442 1.316 -14.083 1.00 0.00 N ATOM 185 CA SER A 12 -6.872 0.903 -14.158 1.00 0.00 C ATOM 186 C SER A 12 -7.461 0.861 -12.747 1.00 0.00 C ATOM 187 O SER A 12 -8.660 0.949 -12.562 1.00 0.00 O ATOM 188 CB SER A 12 -6.961 -0.487 -14.782 1.00 0.00 C ATOM 189 OG SER A 12 -6.301 -1.416 -13.934 1.00 0.00 O ATOM 0 H SER A 12 -4.781 0.679 -14.527 1.00 0.00 H new ATOM 0 HA SER A 12 -7.429 1.616 -14.766 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.004 -0.774 -14.916 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.501 -0.486 -15.770 1.00 0.00 H new ATOM 0 HG SER A 12 -6.355 -2.312 -14.326 1.00 0.00 H new ATOM 195 N THR A 13 -6.621 0.729 -11.749 1.00 0.00 N ATOM 196 CA THR A 13 -7.108 0.683 -10.337 1.00 0.00 C ATOM 197 C THR A 13 -6.623 1.942 -9.602 1.00 0.00 C ATOM 198 O THR A 13 -5.633 1.913 -8.904 1.00 0.00 O ATOM 199 CB THR A 13 -6.544 -0.565 -9.654 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.184 -0.350 -9.305 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.648 -1.754 -10.607 1.00 0.00 C ATOM 0 H THR A 13 -5.610 0.651 -11.855 1.00 0.00 H new ATOM 0 HA THR A 13 -8.197 0.646 -10.315 1.00 0.00 H new ATOM 0 HB THR A 13 -7.116 -0.772 -8.749 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.125 0.376 -8.649 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.247 -2.644 -10.123 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.693 -1.922 -10.867 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.078 -1.545 -11.512 1.00 0.00 H new ATOM 209 N PRO A 14 -7.303 3.053 -9.774 1.00 0.00 N ATOM 210 CA PRO A 14 -6.909 4.338 -9.122 1.00 0.00 C ATOM 211 C PRO A 14 -7.182 4.315 -7.619 1.00 0.00 C ATOM 212 O PRO A 14 -6.600 5.067 -6.864 1.00 0.00 O ATOM 213 CB PRO A 14 -7.781 5.390 -9.826 1.00 0.00 C ATOM 214 CG PRO A 14 -8.992 4.641 -10.280 1.00 0.00 C ATOM 215 CD PRO A 14 -8.526 3.214 -10.589 1.00 0.00 C ATOM 0 HA PRO A 14 -5.842 4.540 -9.216 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.048 6.200 -9.148 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.255 5.840 -10.668 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.761 4.640 -9.507 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.429 5.107 -11.163 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.285 2.479 -10.320 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.318 3.083 -11.651 1.00 0.00 H new ATOM 223 N TYR A 15 -8.072 3.455 -7.186 1.00 0.00 N ATOM 224 CA TYR A 15 -8.409 3.368 -5.733 1.00 0.00 C ATOM 225 C TYR A 15 -8.222 1.932 -5.253 1.00 0.00 C ATOM 226 O TYR A 15 -8.974 1.044 -5.604 1.00 0.00 O ATOM 227 CB TYR A 15 -9.864 3.789 -5.530 1.00 0.00 C ATOM 228 CG TYR A 15 -10.022 5.238 -5.931 1.00 0.00 C ATOM 229 CD1 TYR A 15 -9.431 6.242 -5.155 1.00 0.00 C ATOM 230 CD2 TYR A 15 -10.761 5.580 -7.072 1.00 0.00 C ATOM 231 CE1 TYR A 15 -9.576 7.586 -5.519 1.00 0.00 C ATOM 232 CE2 TYR A 15 -10.906 6.925 -7.436 1.00 0.00 C ATOM 233 CZ TYR A 15 -10.315 7.927 -6.659 1.00 0.00 C ATOM 234 OH TYR A 15 -10.459 9.252 -7.016 1.00 0.00 O ATOM 0 H TYR A 15 -8.583 2.805 -7.783 1.00 0.00 H new ATOM 0 HA TYR A 15 -7.754 4.027 -5.163 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -10.524 3.160 -6.127 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -10.152 3.654 -4.487 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -8.863 5.980 -4.275 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -11.219 4.806 -7.671 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -9.118 8.360 -4.921 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.474 7.188 -8.316 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.999 9.314 -7.831 1.00 0.00 H new ATOM 244 N VAL A 16 -7.223 1.692 -4.445 1.00 0.00 N ATOM 245 CA VAL A 16 -6.991 0.307 -3.938 1.00 0.00 C ATOM 246 C VAL A 16 -6.414 0.354 -2.527 1.00 0.00 C ATOM 247 O VAL A 16 -5.897 1.361 -2.087 1.00 0.00 O ATOM 248 CB VAL A 16 -6.013 -0.422 -4.854 1.00 0.00 C ATOM 249 CG1 VAL A 16 -6.667 -0.655 -6.210 1.00 0.00 C ATOM 250 CG2 VAL A 16 -4.749 0.421 -5.035 1.00 0.00 C ATOM 0 H VAL A 16 -6.559 2.393 -4.115 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.943 -0.223 -3.922 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.746 -1.380 -4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.969 -1.176 -6.866 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.565 -1.260 -6.082 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.935 0.304 -6.654 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.053 -0.103 -5.690 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.012 1.381 -5.479 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.280 0.586 -4.065 1.00 0.00 H new ATOM 260 N SER A 17 -6.494 -0.746 -1.817 1.00 0.00 N ATOM 261 CA SER A 17 -5.948 -0.807 -0.429 1.00 0.00 C ATOM 262 C SER A 17 -4.785 -1.799 -0.391 1.00 0.00 C ATOM 263 O SER A 17 -4.861 -2.880 -0.943 1.00 0.00 O ATOM 264 CB SER A 17 -7.044 -1.273 0.526 1.00 0.00 C ATOM 265 OG SER A 17 -8.177 -0.428 0.380 1.00 0.00 O ATOM 0 H SER A 17 -6.920 -1.612 -2.146 1.00 0.00 H new ATOM 0 HA SER A 17 -5.599 0.180 -0.127 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.315 -2.307 0.311 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.684 -1.245 1.554 1.00 0.00 H new ATOM 0 HG SER A 17 -8.886 -0.723 0.990 1.00 0.00 H new ATOM 271 N VAL A 18 -3.705 -1.440 0.258 1.00 0.00 N ATOM 272 CA VAL A 18 -2.526 -2.360 0.338 1.00 0.00 C ATOM 273 C VAL A 18 -1.952 -2.352 1.754 1.00 0.00 C ATOM 274 O VAL A 18 -2.194 -1.449 2.533 1.00 0.00 O ATOM 275 CB VAL A 18 -1.449 -1.907 -0.651 1.00 0.00 C ATOM 276 CG1 VAL A 18 -1.944 -2.126 -2.080 1.00 0.00 C ATOM 277 CG2 VAL A 18 -1.147 -0.419 -0.445 1.00 0.00 C ATOM 0 H VAL A 18 -3.588 -0.547 0.737 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.848 -3.371 0.087 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.542 -2.488 -0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.177 -1.803 -2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.156 -3.184 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.853 -1.547 -2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.380 -0.102 -1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.054 0.163 -0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.792 -0.257 0.573 1.00 0.00 H new ATOM 287 N ILE A 19 -1.179 -3.355 2.091 1.00 0.00 N ATOM 288 CA ILE A 19 -0.570 -3.418 3.452 1.00 0.00 C ATOM 289 C ILE A 19 0.876 -3.890 3.347 1.00 0.00 C ATOM 290 O ILE A 19 1.193 -4.801 2.605 1.00 0.00 O ATOM 291 CB ILE A 19 -1.363 -4.388 4.328 1.00 0.00 C ATOM 292 CG1 ILE A 19 -0.744 -4.421 5.728 1.00 0.00 C ATOM 293 CG2 ILE A 19 -1.324 -5.790 3.718 1.00 0.00 C ATOM 294 CD1 ILE A 19 -1.669 -5.179 6.681 1.00 0.00 C ATOM 0 H ILE A 19 -0.944 -4.135 1.478 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.594 -2.425 3.901 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.399 -4.056 4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.233 -4.903 5.693 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.585 -3.405 6.090 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.891 -6.476 4.347 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.763 -5.765 2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.290 -6.129 3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.226 -5.201 7.677 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.636 -4.678 6.725 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.805 -6.199 6.322 1.00 0.00 H new ATOM 306 N GLY A 20 1.764 -3.276 4.084 1.00 0.00 N ATOM 307 CA GLY A 20 3.190 -3.695 4.017 1.00 0.00 C ATOM 308 C GLY A 20 3.987 -3.007 5.127 1.00 0.00 C ATOM 309 O GLY A 20 3.428 -2.462 6.068 1.00 0.00 O ATOM 0 H GLY A 20 1.563 -2.508 4.724 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.265 -4.777 4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.608 -3.438 3.044 1.00 0.00 H new ATOM 313 N LYS A 21 5.296 -3.031 5.023 1.00 0.00 N ATOM 314 CA LYS A 21 6.157 -2.389 6.060 1.00 0.00 C ATOM 315 C LYS A 21 6.724 -1.087 5.501 1.00 0.00 C ATOM 316 O LYS A 21 7.308 -1.060 4.431 1.00 0.00 O ATOM 317 CB LYS A 21 7.300 -3.338 6.422 1.00 0.00 C ATOM 318 CG LYS A 21 8.105 -2.749 7.582 1.00 0.00 C ATOM 319 CD LYS A 21 9.193 -3.740 8.006 1.00 0.00 C ATOM 320 CE LYS A 21 9.989 -3.157 9.177 1.00 0.00 C ATOM 321 NZ LYS A 21 9.048 -2.617 10.200 1.00 0.00 N ATOM 0 H LYS A 21 5.805 -3.472 4.257 1.00 0.00 H new ATOM 0 HA LYS A 21 5.569 -2.175 6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.902 -4.314 6.700 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.946 -3.492 5.558 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.557 -1.804 7.282 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.446 -2.534 8.423 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.742 -4.689 8.296 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.858 -3.946 7.168 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.621 -3.927 9.620 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.650 -2.366 8.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.575 -2.377 11.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.584 -1.763 9.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.328 -3.334 10.422 1.00 0.00 H new ATOM 335 N ILE A 22 6.540 -0.005 6.216 1.00 0.00 N ATOM 336 CA ILE A 22 7.042 1.312 5.742 1.00 0.00 C ATOM 337 C ILE A 22 8.514 1.478 6.102 1.00 0.00 C ATOM 338 O ILE A 22 8.918 1.284 7.235 1.00 0.00 O ATOM 339 CB ILE A 22 6.233 2.430 6.400 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.732 2.190 6.178 1.00 0.00 C ATOM 341 CG2 ILE A 22 6.637 3.776 5.801 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.435 2.001 4.683 1.00 0.00 C ATOM 0 H ILE A 22 6.059 0.018 7.115 1.00 0.00 H new ATOM 0 HA ILE A 22 6.933 1.362 4.659 1.00 0.00 H new ATOM 0 HB ILE A 22 6.436 2.437 7.471 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.412 1.308 6.733 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.161 3.034 6.565 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.059 4.572 6.271 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.699 3.947 5.975 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.441 3.771 4.729 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.367 1.832 4.543 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.736 2.895 4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.991 1.142 4.307 1.00 0.00 H new ATOM 354 N THR A 23 9.322 1.843 5.133 1.00 0.00 N ATOM 355 CA THR A 23 10.780 2.039 5.386 1.00 0.00 C ATOM 356 C THR A 23 11.285 3.266 4.621 1.00 0.00 C ATOM 357 O THR A 23 10.650 3.754 3.703 1.00 0.00 O ATOM 358 CB THR A 23 11.548 0.807 4.909 1.00 0.00 C ATOM 359 OG1 THR A 23 11.454 0.713 3.496 1.00 0.00 O ATOM 360 CG2 THR A 23 10.955 -0.447 5.548 1.00 0.00 C ATOM 0 H THR A 23 9.028 2.014 4.171 1.00 0.00 H new ATOM 0 HA THR A 23 10.937 2.188 6.454 1.00 0.00 H new ATOM 0 HB THR A 23 12.595 0.896 5.199 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.552 0.969 3.210 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.504 -1.324 5.206 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.029 -0.372 6.633 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.907 -0.541 5.262 1.00 0.00 H new ATOM 368 N GLY A 24 12.440 3.755 4.993 1.00 0.00 N ATOM 369 CA GLY A 24 13.032 4.940 4.301 1.00 0.00 C ATOM 370 C GLY A 24 12.064 6.123 4.335 1.00 0.00 C ATOM 371 O GLY A 24 11.256 6.305 3.444 1.00 0.00 O ATOM 0 H GLY A 24 13.005 3.380 5.755 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.970 5.217 4.782 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.266 4.685 3.268 1.00 0.00 H new ATOM 375 N ILE A 25 12.146 6.938 5.355 1.00 0.00 N ATOM 376 CA ILE A 25 11.238 8.121 5.451 1.00 0.00 C ATOM 377 C ILE A 25 11.981 9.369 4.988 1.00 0.00 C ATOM 378 O ILE A 25 13.049 9.689 5.474 1.00 0.00 O ATOM 379 CB ILE A 25 10.792 8.296 6.902 1.00 0.00 C ATOM 380 CG1 ILE A 25 10.165 6.989 7.402 1.00 0.00 C ATOM 381 CG2 ILE A 25 9.771 9.432 6.999 1.00 0.00 C ATOM 382 CD1 ILE A 25 9.041 6.532 6.460 1.00 0.00 C ATOM 0 H ILE A 25 12.804 6.835 6.127 1.00 0.00 H new ATOM 0 HA ILE A 25 10.364 7.967 4.818 1.00 0.00 H new ATOM 0 HB ILE A 25 11.656 8.543 7.519 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.929 6.215 7.467 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.769 7.131 8.407 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.457 9.552 8.036 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.224 10.359 6.648 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.904 9.195 6.382 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.609 5.603 6.833 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.268 7.299 6.416 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.447 6.369 5.462 1.00 0.00 H new ATOM 394 N HIS A 26 11.415 10.080 4.043 1.00 0.00 N ATOM 395 CA HIS A 26 12.068 11.317 3.525 1.00 0.00 C ATOM 396 C HIS A 26 11.046 12.452 3.504 1.00 0.00 C ATOM 397 O HIS A 26 9.931 12.293 3.041 1.00 0.00 O ATOM 398 CB HIS A 26 12.580 11.064 2.104 1.00 0.00 C ATOM 399 CG HIS A 26 13.563 12.136 1.729 1.00 0.00 C ATOM 400 ND1 HIS A 26 13.286 13.483 1.903 1.00 0.00 N ATOM 401 CD2 HIS A 26 14.826 12.076 1.200 1.00 0.00 C ATOM 402 CE1 HIS A 26 14.363 14.174 1.486 1.00 0.00 C ATOM 403 NE2 HIS A 26 15.331 13.365 1.047 1.00 0.00 N ATOM 0 H HIS A 26 10.522 9.852 3.607 1.00 0.00 H new ATOM 0 HA HIS A 26 12.905 11.589 4.169 1.00 0.00 H new ATOM 0 HB2 HIS A 26 13.054 10.084 2.046 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.747 11.057 1.401 1.00 0.00 H new ATOM 0 HD2 HIS A 26 15.350 11.168 0.941 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.436 15.251 1.504 1.00 0.00 H new ATOM 0 HE2 HIS A 26 16.244 13.633 0.679 1.00 0.00 H new ATOM 411 N LYS A 27 11.416 13.598 4.012 1.00 0.00 N ATOM 412 CA LYS A 27 10.476 14.754 4.038 1.00 0.00 C ATOM 413 C LYS A 27 10.781 15.687 2.868 1.00 0.00 C ATOM 414 O LYS A 27 11.915 16.056 2.631 1.00 0.00 O ATOM 415 CB LYS A 27 10.656 15.512 5.352 1.00 0.00 C ATOM 416 CG LYS A 27 9.647 16.658 5.427 1.00 0.00 C ATOM 417 CD LYS A 27 9.774 17.367 6.776 1.00 0.00 C ATOM 418 CE LYS A 27 8.747 18.498 6.854 1.00 0.00 C ATOM 419 NZ LYS A 27 8.857 19.185 8.171 1.00 0.00 N ATOM 0 H LYS A 27 12.336 13.783 4.412 1.00 0.00 H new ATOM 0 HA LYS A 27 9.450 14.395 3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.516 14.836 6.195 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.671 15.903 5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.823 17.364 4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.635 16.273 5.301 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.613 16.658 7.588 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.781 17.766 6.896 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.914 19.210 6.046 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.741 18.099 6.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.158 19.953 8.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.677 18.502 8.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.813 19.580 8.278 1.00 0.00 H new ATOM 433 N LYS A 28 9.768 16.075 2.136 1.00 0.00 N ATOM 434 CA LYS A 28 9.968 16.988 0.973 1.00 0.00 C ATOM 435 C LYS A 28 8.928 18.096 1.016 1.00 0.00 C ATOM 436 O LYS A 28 7.851 17.934 1.556 1.00 0.00 O ATOM 437 CB LYS A 28 9.813 16.202 -0.327 1.00 0.00 C ATOM 438 CG LYS A 28 10.940 15.171 -0.446 1.00 0.00 C ATOM 439 CD LYS A 28 12.287 15.870 -0.711 1.00 0.00 C ATOM 440 CE LYS A 28 13.282 14.876 -1.316 1.00 0.00 C ATOM 441 NZ LYS A 28 13.026 14.755 -2.776 1.00 0.00 N ATOM 0 H LYS A 28 8.801 15.794 2.297 1.00 0.00 H new ATOM 0 HA LYS A 28 10.967 17.420 1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.845 15.701 -0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.837 16.881 -1.179 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.002 14.585 0.471 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.720 14.475 -1.255 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.143 16.711 -1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.685 16.275 0.219 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.304 15.213 -1.141 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.180 13.903 -0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.396 13.846 -3.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.002 14.802 -2.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.501 15.533 -3.277 1.00 0.00 H new ATOM 455 N GLU A 29 9.251 19.229 0.449 1.00 0.00 N ATOM 456 CA GLU A 29 8.303 20.384 0.438 1.00 0.00 C ATOM 457 C GLU A 29 7.973 20.767 -0.999 1.00 0.00 C ATOM 458 O GLU A 29 8.825 20.773 -1.866 1.00 0.00 O ATOM 459 CB GLU A 29 8.945 21.571 1.156 1.00 0.00 C ATOM 460 CG GLU A 29 8.948 21.300 2.660 1.00 0.00 C ATOM 461 CD GLU A 29 9.679 22.427 3.388 1.00 0.00 C ATOM 462 OE1 GLU A 29 10.137 23.338 2.718 1.00 0.00 O ATOM 463 OE2 GLU A 29 9.771 22.359 4.601 1.00 0.00 O ATOM 0 H GLU A 29 10.143 19.406 -0.013 1.00 0.00 H new ATOM 0 HA GLU A 29 7.383 20.104 0.950 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.964 21.721 0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.393 22.486 0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.924 21.222 3.027 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.434 20.346 2.866 1.00 0.00 H new ATOM 470 N TYR A 30 6.733 21.091 -1.263 1.00 0.00 N ATOM 471 CA TYR A 30 6.335 21.476 -2.646 1.00 0.00 C ATOM 472 C TYR A 30 5.313 22.610 -2.580 1.00 0.00 C ATOM 473 O TYR A 30 4.696 22.848 -1.559 1.00 0.00 O ATOM 474 CB TYR A 30 5.712 20.267 -3.352 1.00 0.00 C ATOM 475 CG TYR A 30 4.402 19.898 -2.688 1.00 0.00 C ATOM 476 CD1 TYR A 30 4.398 19.290 -1.427 1.00 0.00 C ATOM 477 CD2 TYR A 30 3.189 20.157 -3.343 1.00 0.00 C ATOM 478 CE1 TYR A 30 3.183 18.941 -0.822 1.00 0.00 C ATOM 479 CE2 TYR A 30 1.976 19.810 -2.736 1.00 0.00 C ATOM 480 CZ TYR A 30 1.972 19.202 -1.477 1.00 0.00 C ATOM 481 OH TYR A 30 0.776 18.855 -0.882 1.00 0.00 O ATOM 0 H TYR A 30 5.979 21.105 -0.577 1.00 0.00 H new ATOM 0 HA TYR A 30 7.213 21.808 -3.201 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.544 20.497 -4.404 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.398 19.421 -3.316 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.331 19.090 -0.921 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.191 20.625 -4.317 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.180 18.470 0.150 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.043 20.012 -3.241 1.00 0.00 H new ATOM 0 HH TYR A 30 0.669 17.881 -0.905 1.00 0.00 H new ATOM 491 N GLU A 31 5.134 23.324 -3.661 1.00 0.00 N ATOM 492 CA GLU A 31 4.156 24.449 -3.664 1.00 0.00 C ATOM 493 C GLU A 31 2.787 23.923 -4.100 1.00 0.00 C ATOM 494 O GLU A 31 2.516 23.748 -5.273 1.00 0.00 O ATOM 495 CB GLU A 31 4.638 25.530 -4.633 1.00 0.00 C ATOM 496 CG GLU A 31 3.725 26.757 -4.544 1.00 0.00 C ATOM 497 CD GLU A 31 3.919 27.439 -3.186 1.00 0.00 C ATOM 498 OE1 GLU A 31 4.843 27.064 -2.483 1.00 0.00 O ATOM 499 OE2 GLU A 31 3.147 28.332 -2.879 1.00 0.00 O ATOM 0 H GLU A 31 5.625 23.175 -4.543 1.00 0.00 H new ATOM 0 HA GLU A 31 4.073 24.876 -2.665 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.664 25.812 -4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.641 25.142 -5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.955 27.454 -5.350 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.684 26.459 -4.668 1.00 0.00 H new ATOM 506 N SER A 32 1.924 23.665 -3.155 1.00 0.00 N ATOM 507 CA SER A 32 0.569 23.140 -3.484 1.00 0.00 C ATOM 508 C SER A 32 -0.352 24.288 -3.900 1.00 0.00 C ATOM 509 O SER A 32 0.098 25.318 -4.349 1.00 0.00 O ATOM 510 CB SER A 32 -0.009 22.453 -2.250 1.00 0.00 C ATOM 511 OG SER A 32 -0.678 23.418 -1.450 1.00 0.00 O ATOM 0 H SER A 32 2.102 23.797 -2.159 1.00 0.00 H new ATOM 0 HA SER A 32 0.647 22.430 -4.308 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.702 21.666 -2.548 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.787 21.977 -1.677 1.00 0.00 H new ATOM 0 HG SER A 32 -0.035 23.845 -0.846 1.00 0.00 H new ATOM 517 N ASP A 33 -1.643 24.097 -3.764 1.00 0.00 N ATOM 518 CA ASP A 33 -2.622 25.158 -4.158 1.00 0.00 C ATOM 519 C ASP A 33 -2.200 26.510 -3.571 1.00 0.00 C ATOM 520 O ASP A 33 -2.690 26.938 -2.544 1.00 0.00 O ATOM 521 CB ASP A 33 -4.012 24.787 -3.635 1.00 0.00 C ATOM 522 CG ASP A 33 -4.574 23.617 -4.445 1.00 0.00 C ATOM 523 OD1 ASP A 33 -4.034 23.343 -5.507 1.00 0.00 O ATOM 524 OD2 ASP A 33 -5.534 23.015 -3.994 1.00 0.00 O ATOM 0 H ASP A 33 -2.063 23.244 -3.394 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.646 25.235 -5.245 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.954 24.517 -2.581 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.679 25.646 -3.708 1.00 0.00 H new ATOM 529 N GLY A 34 -1.302 27.186 -4.228 1.00 0.00 N ATOM 530 CA GLY A 34 -0.837 28.513 -3.735 1.00 0.00 C ATOM 531 C GLY A 34 -0.382 28.404 -2.280 1.00 0.00 C ATOM 532 O GLY A 34 -0.164 29.399 -1.618 1.00 0.00 O ATOM 0 H GLY A 34 -0.865 26.873 -5.095 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.016 28.872 -4.355 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.642 29.243 -3.818 1.00 0.00 H new ATOM 536 N THR A 35 -0.234 27.203 -1.772 1.00 0.00 N ATOM 537 CA THR A 35 0.213 27.035 -0.352 1.00 0.00 C ATOM 538 C THR A 35 1.283 25.947 -0.266 1.00 0.00 C ATOM 539 O THR A 35 1.150 24.877 -0.830 1.00 0.00 O ATOM 540 CB THR A 35 -0.979 26.659 0.524 1.00 0.00 C ATOM 541 OG1 THR A 35 -1.966 27.678 0.433 1.00 0.00 O ATOM 542 CG2 THR A 35 -0.515 26.527 1.975 1.00 0.00 C ATOM 0 H THR A 35 -0.403 26.334 -2.278 1.00 0.00 H new ATOM 0 HA THR A 35 0.635 27.976 0.001 1.00 0.00 H new ATOM 0 HB THR A 35 -1.400 25.712 0.188 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.371 27.662 -0.459 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.363 26.258 2.605 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.248 25.752 2.044 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.099 27.477 2.312 1.00 0.00 H new ATOM 550 N THR A 36 2.349 26.219 0.436 1.00 0.00 N ATOM 551 CA THR A 36 3.439 25.215 0.567 1.00 0.00 C ATOM 552 C THR A 36 3.013 24.118 1.543 1.00 0.00 C ATOM 553 O THR A 36 2.572 24.391 2.644 1.00 0.00 O ATOM 554 CB THR A 36 4.691 25.909 1.097 1.00 0.00 C ATOM 555 OG1 THR A 36 4.934 27.080 0.330 1.00 0.00 O ATOM 556 CG2 THR A 36 5.890 24.969 0.987 1.00 0.00 C ATOM 0 H THR A 36 2.511 27.099 0.926 1.00 0.00 H new ATOM 0 HA THR A 36 3.646 24.769 -0.406 1.00 0.00 H new ATOM 0 HB THR A 36 4.543 26.177 2.143 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.858 26.868 -0.624 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.781 25.470 1.367 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.702 24.069 1.573 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.044 24.697 -0.057 1.00 0.00 H new ATOM 564 N LYS A 37 3.147 22.873 1.150 1.00 0.00 N ATOM 565 CA LYS A 37 2.757 21.744 2.047 1.00 0.00 C ATOM 566 C LYS A 37 3.861 20.691 2.060 1.00 0.00 C ATOM 567 O LYS A 37 4.542 20.465 1.075 1.00 0.00 O ATOM 568 CB LYS A 37 1.456 21.119 1.544 1.00 0.00 C ATOM 569 CG LYS A 37 0.312 22.115 1.737 1.00 0.00 C ATOM 570 CD LYS A 37 -0.985 21.510 1.200 1.00 0.00 C ATOM 571 CE LYS A 37 -2.117 22.528 1.334 1.00 0.00 C ATOM 572 NZ LYS A 37 -2.317 22.864 2.772 1.00 0.00 N ATOM 0 H LYS A 37 3.512 22.591 0.240 1.00 0.00 H new ATOM 0 HA LYS A 37 2.610 22.121 3.059 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.549 20.854 0.491 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.247 20.197 2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.202 22.359 2.794 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.534 23.046 1.216 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.860 21.225 0.155 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.231 20.602 1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.879 23.429 0.769 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.037 22.122 0.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.259 23.285 2.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.242 21.999 3.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.589 23.543 3.074 1.00 0.00 H new ATOM 586 N SER A 38 4.052 20.053 3.182 1.00 0.00 N ATOM 587 CA SER A 38 5.112 19.016 3.289 1.00 0.00 C ATOM 588 C SER A 38 4.572 17.664 2.826 1.00 0.00 C ATOM 589 O SER A 38 3.408 17.358 2.994 1.00 0.00 O ATOM 590 CB SER A 38 5.557 18.913 4.745 1.00 0.00 C ATOM 591 OG SER A 38 4.657 18.069 5.452 1.00 0.00 O ATOM 0 H SER A 38 3.514 20.208 4.035 1.00 0.00 H new ATOM 0 HA SER A 38 5.956 19.294 2.658 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.569 18.512 4.801 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.580 19.903 5.201 1.00 0.00 H new ATOM 0 HG SER A 38 4.941 17.999 6.387 1.00 0.00 H new ATOM 597 N VAL A 39 5.419 16.847 2.256 1.00 0.00 N ATOM 598 CA VAL A 39 4.979 15.502 1.789 1.00 0.00 C ATOM 599 C VAL A 39 6.052 14.478 2.157 1.00 0.00 C ATOM 600 O VAL A 39 7.235 14.724 2.025 1.00 0.00 O ATOM 601 CB VAL A 39 4.770 15.529 0.271 1.00 0.00 C ATOM 602 CG1 VAL A 39 6.102 15.770 -0.444 1.00 0.00 C ATOM 603 CG2 VAL A 39 4.174 14.194 -0.184 1.00 0.00 C ATOM 0 H VAL A 39 6.404 17.057 2.094 1.00 0.00 H new ATOM 0 HA VAL A 39 4.038 15.229 2.266 1.00 0.00 H new ATOM 0 HB VAL A 39 4.086 16.340 0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.939 15.787 -1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.518 16.726 -0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.799 14.969 -0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.025 14.211 -1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.856 13.384 0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.217 14.035 0.312 1.00 0.00 H new ATOM 613 N TYR A 40 5.642 13.332 2.635 1.00 0.00 N ATOM 614 CA TYR A 40 6.623 12.278 3.035 1.00 0.00 C ATOM 615 C TYR A 40 6.669 11.189 1.968 1.00 0.00 C ATOM 616 O TYR A 40 5.650 10.736 1.485 1.00 0.00 O ATOM 617 CB TYR A 40 6.187 11.666 4.363 1.00 0.00 C ATOM 618 CG TYR A 40 6.345 12.694 5.456 1.00 0.00 C ATOM 619 CD1 TYR A 40 5.320 13.612 5.709 1.00 0.00 C ATOM 620 CD2 TYR A 40 7.520 12.729 6.214 1.00 0.00 C ATOM 621 CE1 TYR A 40 5.471 14.567 6.722 1.00 0.00 C ATOM 622 CE2 TYR A 40 7.672 13.682 7.225 1.00 0.00 C ATOM 623 CZ TYR A 40 6.648 14.602 7.481 1.00 0.00 C ATOM 624 OH TYR A 40 6.797 15.543 8.478 1.00 0.00 O ATOM 0 H TYR A 40 4.663 13.079 2.767 1.00 0.00 H new ATOM 0 HA TYR A 40 7.613 12.723 3.140 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.149 11.337 4.303 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.788 10.785 4.586 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.413 13.584 5.123 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.310 12.019 6.018 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.680 15.276 6.918 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.580 13.709 7.809 1.00 0.00 H new ATOM 0 HH TYR A 40 6.403 15.204 9.309 1.00 0.00 H new ATOM 634 N GLN A 41 7.854 10.764 1.601 1.00 0.00 N ATOM 635 CA GLN A 41 8.002 9.699 0.567 1.00 0.00 C ATOM 636 C GLN A 41 8.839 8.561 1.134 1.00 0.00 C ATOM 637 O GLN A 41 9.627 8.745 2.041 1.00 0.00 O ATOM 638 CB GLN A 41 8.698 10.276 -0.664 1.00 0.00 C ATOM 639 CG GLN A 41 7.754 11.252 -1.367 1.00 0.00 C ATOM 640 CD GLN A 41 8.471 11.888 -2.558 1.00 0.00 C ATOM 641 OE1 GLN A 41 9.660 12.129 -2.508 1.00 0.00 O ATOM 642 NE2 GLN A 41 7.791 12.171 -3.634 1.00 0.00 N ATOM 0 H GLN A 41 8.733 11.116 1.980 1.00 0.00 H new ATOM 0 HA GLN A 41 7.018 9.325 0.285 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.616 10.787 -0.371 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.983 9.474 -1.345 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.859 10.729 -1.705 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.428 12.025 -0.671 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.792 11.968 -3.674 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.258 12.595 -4.435 1.00 0.00 H new ATOM 651 N GLY A 42 8.673 7.380 0.612 1.00 0.00 N ATOM 652 CA GLY A 42 9.458 6.234 1.129 1.00 0.00 C ATOM 653 C GLY A 42 9.161 4.992 0.295 1.00 0.00 C ATOM 654 O GLY A 42 8.573 5.068 -0.768 1.00 0.00 O ATOM 0 H GLY A 42 8.029 7.161 -0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.523 6.463 1.092 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.208 6.051 2.174 1.00 0.00 H new ATOM 658 N TYR A 43 9.571 3.844 0.771 1.00 0.00 N ATOM 659 CA TYR A 43 9.330 2.572 0.027 1.00 0.00 C ATOM 660 C TYR A 43 8.642 1.568 0.944 1.00 0.00 C ATOM 661 O TYR A 43 8.948 1.470 2.117 1.00 0.00 O ATOM 662 CB TYR A 43 10.668 2.002 -0.437 1.00 0.00 C ATOM 663 CG TYR A 43 11.208 2.853 -1.559 1.00 0.00 C ATOM 664 CD1 TYR A 43 10.844 2.570 -2.880 1.00 0.00 C ATOM 665 CD2 TYR A 43 12.067 3.923 -1.282 1.00 0.00 C ATOM 666 CE1 TYR A 43 11.340 3.355 -3.925 1.00 0.00 C ATOM 667 CE2 TYR A 43 12.564 4.708 -2.329 1.00 0.00 C ATOM 668 CZ TYR A 43 12.201 4.424 -3.651 1.00 0.00 C ATOM 669 OH TYR A 43 12.694 5.197 -4.682 1.00 0.00 O ATOM 0 H TYR A 43 10.069 3.733 1.655 1.00 0.00 H new ATOM 0 HA TYR A 43 8.694 2.768 -0.836 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.375 1.981 0.392 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.541 0.973 -0.774 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.180 1.745 -3.092 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.346 4.143 -0.262 1.00 0.00 H new ATOM 0 HE1 TYR A 43 11.059 3.136 -4.945 1.00 0.00 H new ATOM 0 HE2 TYR A 43 13.228 5.533 -2.117 1.00 0.00 H new ATOM 0 HH TYR A 43 13.276 5.896 -4.317 1.00 0.00 H new ATOM 679 N ILE A 44 7.720 0.808 0.407 1.00 0.00 N ATOM 680 CA ILE A 44 7.000 -0.212 1.223 1.00 0.00 C ATOM 681 C ILE A 44 7.364 -1.590 0.695 1.00 0.00 C ATOM 682 O ILE A 44 7.543 -1.772 -0.495 1.00 0.00 O ATOM 683 CB ILE A 44 5.487 -0.004 1.100 1.00 0.00 C ATOM 684 CG1 ILE A 44 4.767 -0.967 2.049 1.00 0.00 C ATOM 685 CG2 ILE A 44 5.035 -0.279 -0.339 1.00 0.00 C ATOM 686 CD1 ILE A 44 3.298 -0.562 2.164 1.00 0.00 C ATOM 0 H ILE A 44 7.434 0.853 -0.571 1.00 0.00 H new ATOM 0 HA ILE A 44 7.285 -0.118 2.271 1.00 0.00 H new ATOM 0 HB ILE A 44 5.244 1.026 1.361 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.846 -1.989 1.677 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.239 -0.948 3.031 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.958 -0.129 -0.417 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.547 0.403 -1.018 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.278 -1.307 -0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.784 -1.246 2.839 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.230 0.453 2.555 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.831 -0.604 1.180 1.00 0.00 H new ATOM 698 N GLU A 45 7.490 -2.558 1.571 1.00 0.00 N ATOM 699 CA GLU A 45 7.859 -3.944 1.133 1.00 0.00 C ATOM 700 C GLU A 45 6.896 -4.951 1.750 1.00 0.00 C ATOM 701 O GLU A 45 6.388 -4.762 2.839 1.00 0.00 O ATOM 702 CB GLU A 45 9.288 -4.258 1.599 1.00 0.00 C ATOM 703 CG GLU A 45 9.658 -5.712 1.261 1.00 0.00 C ATOM 704 CD GLU A 45 9.577 -5.921 -0.250 1.00 0.00 C ATOM 705 OE1 GLU A 45 10.573 -5.685 -0.915 1.00 0.00 O ATOM 706 OE2 GLU A 45 8.527 -6.329 -0.716 1.00 0.00 O ATOM 0 H GLU A 45 7.353 -2.448 2.576 1.00 0.00 H new ATOM 0 HA GLU A 45 7.802 -4.008 0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.991 -3.577 1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.370 -4.096 2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.664 -5.934 1.616 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.982 -6.398 1.770 1.00 0.00 H new ATOM 713 N ASP A 46 6.649 -6.035 1.060 1.00 0.00 N ATOM 714 CA ASP A 46 5.725 -7.072 1.603 1.00 0.00 C ATOM 715 C ASP A 46 6.169 -8.459 1.116 1.00 0.00 C ATOM 716 O ASP A 46 7.275 -8.641 0.646 1.00 0.00 O ATOM 717 CB ASP A 46 4.309 -6.784 1.104 1.00 0.00 C ATOM 718 CG ASP A 46 3.299 -7.607 1.906 1.00 0.00 C ATOM 719 OD1 ASP A 46 3.657 -8.073 2.976 1.00 0.00 O ATOM 720 OD2 ASP A 46 2.185 -7.762 1.435 1.00 0.00 O ATOM 0 H ASP A 46 7.048 -6.245 0.145 1.00 0.00 H new ATOM 0 HA ASP A 46 5.744 -7.051 2.693 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.087 -5.721 1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.231 -7.027 0.044 1.00 0.00 H new ATOM 725 N ASP A 47 5.312 -9.441 1.230 1.00 0.00 N ATOM 726 CA ASP A 47 5.670 -10.817 0.778 1.00 0.00 C ATOM 727 C ASP A 47 5.662 -10.875 -0.754 1.00 0.00 C ATOM 728 O ASP A 47 6.199 -11.783 -1.356 1.00 0.00 O ATOM 729 CB ASP A 47 4.636 -11.804 1.322 1.00 0.00 C ATOM 730 CG ASP A 47 4.794 -11.934 2.837 1.00 0.00 C ATOM 731 OD1 ASP A 47 5.807 -11.487 3.349 1.00 0.00 O ATOM 732 OD2 ASP A 47 3.895 -12.473 3.461 1.00 0.00 O ATOM 0 H ASP A 47 4.374 -9.347 1.619 1.00 0.00 H new ATOM 0 HA ASP A 47 6.663 -11.075 1.145 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.630 -11.462 1.080 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.764 -12.777 0.849 1.00 0.00 H new ATOM 737 N THR A 48 5.046 -9.915 -1.388 1.00 0.00 N ATOM 738 CA THR A 48 4.991 -9.914 -2.881 1.00 0.00 C ATOM 739 C THR A 48 6.154 -9.097 -3.441 1.00 0.00 C ATOM 740 O THR A 48 7.109 -9.631 -3.970 1.00 0.00 O ATOM 741 CB THR A 48 3.676 -9.279 -3.328 1.00 0.00 C ATOM 742 OG1 THR A 48 2.597 -9.879 -2.626 1.00 0.00 O ATOM 743 CG2 THR A 48 3.487 -9.491 -4.830 1.00 0.00 C ATOM 0 H THR A 48 4.577 -9.129 -0.937 1.00 0.00 H new ATOM 0 HA THR A 48 5.059 -10.938 -3.248 1.00 0.00 H new ATOM 0 HB THR A 48 3.700 -8.210 -3.114 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.753 -9.470 -2.912 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.548 -9.037 -5.146 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.313 -9.029 -5.370 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.465 -10.559 -5.047 1.00 0.00 H new ATOM 751 N ALA A 49 6.079 -7.796 -3.336 1.00 0.00 N ATOM 752 CA ALA A 49 7.176 -6.941 -3.871 1.00 0.00 C ATOM 753 C ALA A 49 7.212 -5.615 -3.114 1.00 0.00 C ATOM 754 O ALA A 49 6.745 -5.510 -1.994 1.00 0.00 O ATOM 755 CB ALA A 49 6.931 -6.663 -5.354 1.00 0.00 C ATOM 0 H ALA A 49 5.306 -7.290 -2.903 1.00 0.00 H new ATOM 0 HA ALA A 49 8.126 -7.460 -3.745 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.734 -6.038 -5.744 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.906 -7.605 -5.902 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.978 -6.148 -5.475 1.00 0.00 H new ATOM 761 N ARG A 50 7.770 -4.593 -3.724 1.00 0.00 N ATOM 762 CA ARG A 50 7.847 -3.260 -3.054 1.00 0.00 C ATOM 763 C ARG A 50 7.512 -2.150 -4.047 1.00 0.00 C ATOM 764 O ARG A 50 7.641 -2.310 -5.247 1.00 0.00 O ATOM 765 CB ARG A 50 9.258 -3.041 -2.503 1.00 0.00 C ATOM 766 CG ARG A 50 10.280 -3.103 -3.646 1.00 0.00 C ATOM 767 CD ARG A 50 11.690 -2.936 -3.077 1.00 0.00 C ATOM 768 NE ARG A 50 12.688 -2.986 -4.186 1.00 0.00 N ATOM 769 CZ ARG A 50 13.015 -1.899 -4.835 1.00 0.00 C ATOM 770 NH1 ARG A 50 12.462 -0.757 -4.527 1.00 0.00 N ATOM 771 NH2 ARG A 50 13.896 -1.956 -5.796 1.00 0.00 N ATOM 0 H ARG A 50 8.175 -4.629 -4.659 1.00 0.00 H new ATOM 0 HA ARG A 50 7.127 -3.236 -2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.317 -2.074 -2.003 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.488 -3.801 -1.756 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.198 -4.055 -4.170 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.075 -2.319 -4.375 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.769 -1.987 -2.546 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.896 -3.724 -2.353 1.00 0.00 H new ATOM 0 HE ARG A 50 13.118 -3.875 -4.440 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.772 -0.710 -3.777 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.720 0.088 -5.036 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.328 -2.847 -6.040 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.153 -1.109 -6.304 1.00 0.00 H new ATOM 785 N ILE A 51 7.081 -1.018 -3.556 1.00 0.00 N ATOM 786 CA ILE A 51 6.739 0.111 -4.474 1.00 0.00 C ATOM 787 C ILE A 51 6.951 1.454 -3.767 1.00 0.00 C ATOM 788 O ILE A 51 6.984 1.537 -2.552 1.00 0.00 O ATOM 789 CB ILE A 51 5.282 -0.015 -4.923 1.00 0.00 C ATOM 790 CG1 ILE A 51 4.960 1.106 -5.913 1.00 0.00 C ATOM 791 CG2 ILE A 51 4.351 0.091 -3.713 1.00 0.00 C ATOM 792 CD1 ILE A 51 3.636 0.801 -6.614 1.00 0.00 C ATOM 0 H ILE A 51 6.951 -0.826 -2.563 1.00 0.00 H new ATOM 0 HA ILE A 51 7.392 0.068 -5.346 1.00 0.00 H new ATOM 0 HB ILE A 51 5.136 -0.983 -5.402 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.896 2.060 -5.390 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.760 1.198 -6.648 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.316 0.000 -4.041 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.579 -0.708 -3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.494 1.056 -3.227 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.406 1.599 -7.320 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.717 -0.145 -7.150 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.840 0.731 -5.873 1.00 0.00 H new ATOM 804 N ARG A 52 7.099 2.511 -4.526 1.00 0.00 N ATOM 805 CA ARG A 52 7.311 3.856 -3.918 1.00 0.00 C ATOM 806 C ARG A 52 5.987 4.389 -3.373 1.00 0.00 C ATOM 807 O ARG A 52 4.935 4.165 -3.941 1.00 0.00 O ATOM 808 CB ARG A 52 7.852 4.818 -4.977 1.00 0.00 C ATOM 809 CG ARG A 52 8.142 6.183 -4.339 1.00 0.00 C ATOM 810 CD ARG A 52 8.718 7.134 -5.392 1.00 0.00 C ATOM 811 NE ARG A 52 10.058 6.645 -5.819 1.00 0.00 N ATOM 812 CZ ARG A 52 10.738 7.291 -6.731 1.00 0.00 C ATOM 813 NH1 ARG A 52 10.253 8.377 -7.268 1.00 0.00 N ATOM 814 NH2 ARG A 52 11.908 6.849 -7.102 1.00 0.00 N ATOM 0 H ARG A 52 7.082 2.498 -5.546 1.00 0.00 H new ATOM 0 HA ARG A 52 8.030 3.773 -3.103 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.762 4.412 -5.419 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.128 4.930 -5.784 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.227 6.601 -3.920 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.846 6.068 -3.515 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.049 7.192 -6.251 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.799 8.141 -4.983 1.00 0.00 H new ATOM 0 HE ARG A 52 10.448 5.802 -5.398 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.340 8.726 -6.977 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.787 8.877 -7.979 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.290 6.002 -6.681 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.441 7.350 -7.813 1.00 0.00 H new ATOM 828 N ILE A 53 6.032 5.095 -2.268 1.00 0.00 N ATOM 829 CA ILE A 53 4.783 5.650 -1.666 1.00 0.00 C ATOM 830 C ILE A 53 4.961 7.133 -1.354 1.00 0.00 C ATOM 831 O ILE A 53 6.060 7.623 -1.178 1.00 0.00 O ATOM 832 CB ILE A 53 4.468 4.888 -0.379 1.00 0.00 C ATOM 833 CG1 ILE A 53 5.639 5.014 0.608 1.00 0.00 C ATOM 834 CG2 ILE A 53 4.243 3.417 -0.714 1.00 0.00 C ATOM 835 CD1 ILE A 53 5.255 4.378 1.945 1.00 0.00 C ATOM 0 H ILE A 53 6.887 5.311 -1.756 1.00 0.00 H new ATOM 0 HA ILE A 53 3.962 5.538 -2.374 1.00 0.00 H new ATOM 0 HB ILE A 53 3.572 5.307 0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.524 4.524 0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.894 6.064 0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.018 2.866 0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.408 3.326 -1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.143 3.007 -1.173 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.087 4.469 2.643 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.382 4.887 2.353 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.022 3.324 1.793 1.00 0.00 H new ATOM 847 N SER A 54 3.874 7.849 -1.262 1.00 0.00 N ATOM 848 CA SER A 54 3.949 9.299 -0.939 1.00 0.00 C ATOM 849 C SER A 54 2.766 9.665 -0.052 1.00 0.00 C ATOM 850 O SER A 54 1.644 9.275 -0.306 1.00 0.00 O ATOM 851 CB SER A 54 3.895 10.114 -2.225 1.00 0.00 C ATOM 852 OG SER A 54 3.971 11.497 -1.903 1.00 0.00 O ATOM 0 H SER A 54 2.930 7.487 -1.398 1.00 0.00 H new ATOM 0 HA SER A 54 4.883 9.515 -0.420 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.719 9.835 -2.882 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.972 9.904 -2.765 1.00 0.00 H new ATOM 0 HG SER A 54 3.938 12.027 -2.727 1.00 0.00 H new ATOM 858 N SER A 55 3.011 10.415 0.993 1.00 0.00 N ATOM 859 CA SER A 55 1.910 10.820 1.916 1.00 0.00 C ATOM 860 C SER A 55 1.932 12.333 2.091 1.00 0.00 C ATOM 861 O SER A 55 2.968 12.930 2.317 1.00 0.00 O ATOM 862 CB SER A 55 2.112 10.134 3.262 1.00 0.00 C ATOM 863 OG SER A 55 1.326 10.786 4.245 1.00 0.00 O ATOM 0 H SER A 55 3.934 10.766 1.247 1.00 0.00 H new ATOM 0 HA SER A 55 0.946 10.524 1.502 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.830 9.083 3.193 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.165 10.164 3.544 1.00 0.00 H new ATOM 0 HG SER A 55 1.913 11.191 4.917 1.00 0.00 H new ATOM 869 N PHE A 56 0.793 12.967 1.957 1.00 0.00 N ATOM 870 CA PHE A 56 0.732 14.455 2.081 1.00 0.00 C ATOM 871 C PHE A 56 0.182 14.870 3.449 1.00 0.00 C ATOM 872 O PHE A 56 -0.915 14.511 3.825 1.00 0.00 O ATOM 873 CB PHE A 56 -0.175 14.997 0.979 1.00 0.00 C ATOM 874 CG PHE A 56 0.540 14.897 -0.347 1.00 0.00 C ATOM 875 CD1 PHE A 56 1.444 15.894 -0.730 1.00 0.00 C ATOM 876 CD2 PHE A 56 0.302 13.805 -1.191 1.00 0.00 C ATOM 877 CE1 PHE A 56 2.111 15.801 -1.957 1.00 0.00 C ATOM 878 CE2 PHE A 56 0.969 13.711 -2.418 1.00 0.00 C ATOM 879 CZ PHE A 56 1.873 14.709 -2.802 1.00 0.00 C ATOM 0 H PHE A 56 -0.101 12.515 1.766 1.00 0.00 H new ATOM 0 HA PHE A 56 1.738 14.863 1.984 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.106 14.431 0.947 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.439 16.034 1.186 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.627 16.736 -0.079 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.396 13.036 -0.895 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.809 16.571 -2.252 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.786 12.869 -3.069 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.387 14.637 -3.749 1.00 0.00 H new ATOM 889 N GLY A 57 0.931 15.652 4.180 1.00 0.00 N ATOM 890 CA GLY A 57 0.454 16.129 5.512 1.00 0.00 C ATOM 891 C GLY A 57 0.572 15.020 6.563 1.00 0.00 C ATOM 892 O GLY A 57 1.111 15.224 7.633 1.00 0.00 O ATOM 0 H GLY A 57 1.858 15.983 3.911 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.038 16.995 5.824 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.583 16.455 5.436 1.00 0.00 H new ATOM 896 N LYS A 58 0.056 13.857 6.280 1.00 0.00 N ATOM 897 CA LYS A 58 0.118 12.753 7.282 1.00 0.00 C ATOM 898 C LYS A 58 1.571 12.354 7.554 1.00 0.00 C ATOM 899 O LYS A 58 2.382 12.230 6.655 1.00 0.00 O ATOM 900 CB LYS A 58 -0.671 11.557 6.758 1.00 0.00 C ATOM 901 CG LYS A 58 -2.160 11.912 6.734 1.00 0.00 C ATOM 902 CD LYS A 58 -2.967 10.719 6.224 1.00 0.00 C ATOM 903 CE LYS A 58 -4.455 11.073 6.220 1.00 0.00 C ATOM 904 NZ LYS A 58 -5.244 9.909 5.723 1.00 0.00 N ATOM 0 H LYS A 58 -0.405 13.622 5.401 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.319 13.094 8.220 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.331 11.292 5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.502 10.687 7.393 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.494 12.188 7.734 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.327 12.777 6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.643 10.451 5.218 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.791 9.850 6.858 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.778 11.342 7.226 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.631 11.942 5.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.164 10.239 5.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.725 9.441 4.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.394 9.234 6.500 1.00 0.00 H new ATOM 918 N GLN A 59 1.903 12.171 8.806 1.00 0.00 N ATOM 919 CA GLN A 59 3.296 11.802 9.183 1.00 0.00 C ATOM 920 C GLN A 59 3.494 10.286 9.089 1.00 0.00 C ATOM 921 O GLN A 59 2.583 9.508 9.302 1.00 0.00 O ATOM 922 CB GLN A 59 3.559 12.267 10.618 1.00 0.00 C ATOM 923 CG GLN A 59 5.002 11.953 11.029 1.00 0.00 C ATOM 924 CD GLN A 59 5.967 12.733 10.137 1.00 0.00 C ATOM 925 OE1 GLN A 59 5.741 13.888 9.840 1.00 0.00 O ATOM 926 NE2 GLN A 59 7.040 12.141 9.691 1.00 0.00 N ATOM 0 H GLN A 59 1.258 12.263 9.591 1.00 0.00 H new ATOM 0 HA GLN A 59 3.994 12.284 8.498 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.377 13.339 10.698 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.865 11.774 11.299 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.160 12.219 12.074 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.192 10.883 10.941 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.228 11.170 9.942 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.691 12.649 9.092 1.00 0.00 H new ATOM 935 N LEU A 60 4.699 9.868 8.783 1.00 0.00 N ATOM 936 CA LEU A 60 5.009 8.409 8.678 1.00 0.00 C ATOM 937 C LEU A 60 6.264 8.104 9.489 1.00 0.00 C ATOM 938 O LEU A 60 7.069 8.975 9.756 1.00 0.00 O ATOM 939 CB LEU A 60 5.261 8.043 7.217 1.00 0.00 C ATOM 940 CG LEU A 60 3.983 8.256 6.399 1.00 0.00 C ATOM 941 CD1 LEU A 60 4.288 7.992 4.921 1.00 0.00 C ATOM 942 CD2 LEU A 60 2.872 7.301 6.884 1.00 0.00 C ATOM 0 H LEU A 60 5.490 10.485 8.599 1.00 0.00 H new ATOM 0 HA LEU A 60 4.168 7.831 9.060 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.068 8.655 6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.582 7.004 7.143 1.00 0.00 H new ATOM 0 HG LEU A 60 3.638 9.282 6.528 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.384 8.141 4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.061 8.680 4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.636 6.966 4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.970 7.463 6.294 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.202 6.269 6.766 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.658 7.495 7.935 1.00 0.00 H new ATOM 954 N GLN A 61 6.430 6.866 9.894 1.00 0.00 N ATOM 955 CA GLN A 61 7.626 6.482 10.704 1.00 0.00 C ATOM 956 C GLN A 61 8.371 5.332 10.026 1.00 0.00 C ATOM 957 O GLN A 61 7.792 4.505 9.346 1.00 0.00 O ATOM 958 CB GLN A 61 7.169 6.050 12.094 1.00 0.00 C ATOM 959 CG GLN A 61 6.376 7.191 12.746 1.00 0.00 C ATOM 960 CD GLN A 61 4.944 7.201 12.203 1.00 0.00 C ATOM 961 OE1 GLN A 61 4.333 6.162 12.049 1.00 0.00 O ATOM 962 NE2 GLN A 61 4.379 8.340 11.911 1.00 0.00 N ATOM 0 H GLN A 61 5.783 6.103 9.696 1.00 0.00 H new ATOM 0 HA GLN A 61 8.298 7.336 10.786 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.550 5.156 12.024 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.031 5.793 12.709 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.364 7.066 13.829 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.860 8.146 12.541 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.892 9.212 12.040 1.00 0.00 H new ATOM 0 HE22 GLN A 61 3.424 8.359 11.553 1.00 0.00 H new ATOM 971 N ASP A 62 9.663 5.292 10.202 1.00 0.00 N ATOM 972 CA ASP A 62 10.487 4.229 9.567 1.00 0.00 C ATOM 973 C ASP A 62 10.173 2.850 10.159 1.00 0.00 C ATOM 974 O ASP A 62 9.863 2.703 11.325 1.00 0.00 O ATOM 975 CB ASP A 62 11.968 4.561 9.767 1.00 0.00 C ATOM 976 CG ASP A 62 12.295 4.621 11.260 1.00 0.00 C ATOM 977 OD1 ASP A 62 11.375 4.513 12.054 1.00 0.00 O ATOM 978 OD2 ASP A 62 13.460 4.780 11.584 1.00 0.00 O ATOM 0 H ASP A 62 10.188 5.960 10.766 1.00 0.00 H new ATOM 0 HA ASP A 62 10.252 4.193 8.503 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.587 3.807 9.281 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.202 5.516 9.297 1.00 0.00 H new ATOM 983 N SER A 63 10.259 1.842 9.332 1.00 0.00 N ATOM 984 CA SER A 63 9.979 0.445 9.772 1.00 0.00 C ATOM 985 C SER A 63 8.679 0.390 10.575 1.00 0.00 C ATOM 986 O SER A 63 8.681 0.363 11.791 1.00 0.00 O ATOM 987 CB SER A 63 11.144 -0.084 10.617 1.00 0.00 C ATOM 988 OG SER A 63 11.590 0.932 11.506 1.00 0.00 O ATOM 0 H SER A 63 10.517 1.931 8.349 1.00 0.00 H new ATOM 0 HA SER A 63 9.869 -0.184 8.888 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.828 -0.961 11.181 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.962 -0.399 9.969 1.00 0.00 H new ATOM 0 HG SER A 63 10.818 1.340 11.951 1.00 0.00 H new ATOM 994 N ASP A 64 7.565 0.352 9.896 1.00 0.00 N ATOM 995 CA ASP A 64 6.256 0.278 10.613 1.00 0.00 C ATOM 996 C ASP A 64 5.216 -0.433 9.743 1.00 0.00 C ATOM 997 O ASP A 64 4.960 -0.055 8.614 1.00 0.00 O ATOM 998 CB ASP A 64 5.769 1.684 10.958 1.00 0.00 C ATOM 999 CG ASP A 64 4.551 1.579 11.877 1.00 0.00 C ATOM 1000 OD1 ASP A 64 4.372 0.527 12.471 1.00 0.00 O ATOM 1001 OD2 ASP A 64 3.815 2.547 11.969 1.00 0.00 O ATOM 0 H ASP A 64 7.503 0.369 8.878 1.00 0.00 H new ATOM 0 HA ASP A 64 6.393 -0.288 11.534 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.563 2.247 11.448 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.509 2.226 10.049 1.00 0.00 H new ATOM 1006 N VAL A 65 4.615 -1.470 10.266 1.00 0.00 N ATOM 1007 CA VAL A 65 3.591 -2.218 9.488 1.00 0.00 C ATOM 1008 C VAL A 65 2.266 -1.462 9.542 1.00 0.00 C ATOM 1009 O VAL A 65 1.660 -1.317 10.588 1.00 0.00 O ATOM 1010 CB VAL A 65 3.425 -3.608 10.101 1.00 0.00 C ATOM 1011 CG1 VAL A 65 2.605 -4.492 9.161 1.00 0.00 C ATOM 1012 CG2 VAL A 65 4.807 -4.231 10.306 1.00 0.00 C ATOM 0 H VAL A 65 4.792 -1.830 11.204 1.00 0.00 H new ATOM 0 HA VAL A 65 3.904 -2.314 8.448 1.00 0.00 H new ATOM 0 HB VAL A 65 2.909 -3.526 11.058 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.489 -5.482 9.602 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.622 -4.046 9.007 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.118 -4.579 8.203 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.697 -5.223 10.743 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.316 -4.312 9.345 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.394 -3.602 10.976 1.00 0.00 H new ATOM 1022 N VAL A 66 1.812 -0.971 8.413 1.00 0.00 N ATOM 1023 CA VAL A 66 0.524 -0.212 8.381 1.00 0.00 C ATOM 1024 C VAL A 66 -0.276 -0.602 7.138 1.00 0.00 C ATOM 1025 O VAL A 66 0.249 -1.171 6.192 1.00 0.00 O ATOM 1026 CB VAL A 66 0.805 1.300 8.364 1.00 0.00 C ATOM 1027 CG1 VAL A 66 1.827 1.640 9.448 1.00 0.00 C ATOM 1028 CG2 VAL A 66 1.359 1.710 6.994 1.00 0.00 C ATOM 0 H VAL A 66 2.280 -1.064 7.511 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.054 -0.457 9.272 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.123 1.840 8.553 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.027 2.711 9.437 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.432 1.355 10.423 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.753 1.096 9.259 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.556 2.782 6.987 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.285 1.169 6.799 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.630 1.471 6.220 1.00 0.00 H new ATOM 1038 N ARG A 67 -1.548 -0.283 7.135 1.00 0.00 N ATOM 1039 CA ARG A 67 -2.417 -0.596 5.964 1.00 0.00 C ATOM 1040 C ARG A 67 -3.045 0.696 5.450 1.00 0.00 C ATOM 1041 O ARG A 67 -3.563 1.494 6.210 1.00 0.00 O ATOM 1042 CB ARG A 67 -3.516 -1.575 6.378 1.00 0.00 C ATOM 1043 CG ARG A 67 -4.411 -1.871 5.171 1.00 0.00 C ATOM 1044 CD ARG A 67 -5.406 -2.978 5.526 1.00 0.00 C ATOM 1045 NE ARG A 67 -6.325 -2.492 6.592 1.00 0.00 N ATOM 1046 CZ ARG A 67 -7.197 -3.301 7.132 1.00 0.00 C ATOM 1047 NH1 ARG A 67 -7.267 -4.544 6.740 1.00 0.00 N ATOM 1048 NH2 ARG A 67 -7.999 -2.866 8.064 1.00 0.00 N ATOM 0 H ARG A 67 -2.024 0.187 7.905 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.817 -1.052 5.176 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.074 -2.498 6.753 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.108 -1.153 7.190 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.946 -0.969 4.873 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.802 -2.176 4.320 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.976 -3.267 4.643 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.873 -3.866 5.866 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.273 -1.522 6.902 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.640 -4.885 6.011 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.948 -5.174 7.163 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.945 -1.895 8.371 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.680 -3.497 8.486 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.997 0.909 4.159 1.00 0.00 N ATOM 1063 CA ILE A 68 -3.582 2.148 3.569 1.00 0.00 C ATOM 1064 C ILE A 68 -4.870 1.785 2.834 1.00 0.00 C ATOM 1065 O ILE A 68 -4.897 0.882 2.016 1.00 0.00 O ATOM 1066 CB ILE A 68 -2.585 2.754 2.581 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.277 3.059 3.314 1.00 0.00 C ATOM 1068 CG2 ILE A 68 -3.157 4.056 2.014 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.194 3.437 2.303 1.00 0.00 C ATOM 0 H ILE A 68 -2.574 0.271 3.485 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.798 2.870 4.356 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.401 2.051 1.769 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.427 3.874 4.022 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.961 2.190 3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.447 4.489 1.309 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.096 3.848 1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.336 4.759 2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.736 3.653 2.829 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.036 2.609 1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.509 4.319 1.745 1.00 0.00 H new ATOM 1081 N ASP A 69 -5.939 2.482 3.130 1.00 0.00 N ATOM 1082 CA ASP A 69 -7.250 2.200 2.471 1.00 0.00 C ATOM 1083 C ASP A 69 -7.606 3.353 1.532 1.00 0.00 C ATOM 1084 O ASP A 69 -7.342 4.507 1.821 1.00 0.00 O ATOM 1085 CB ASP A 69 -8.328 2.069 3.547 1.00 0.00 C ATOM 1086 CG ASP A 69 -9.666 1.703 2.901 1.00 0.00 C ATOM 1087 OD1 ASP A 69 -9.734 1.695 1.684 1.00 0.00 O ATOM 1088 OD2 ASP A 69 -10.604 1.439 3.636 1.00 0.00 O ATOM 0 H ASP A 69 -5.958 3.243 3.809 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.185 1.275 1.898 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.042 1.305 4.270 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.423 3.006 4.095 1.00 0.00 H new ATOM 1093 N ASN A 70 -8.202 3.036 0.410 1.00 0.00 N ATOM 1094 CA ASN A 70 -8.581 4.087 -0.575 1.00 0.00 C ATOM 1095 C ASN A 70 -7.313 4.813 -1.036 1.00 0.00 C ATOM 1096 O ASN A 70 -7.293 6.016 -1.211 1.00 0.00 O ATOM 1097 CB ASN A 70 -9.559 5.074 0.069 1.00 0.00 C ATOM 1098 CG ASN A 70 -10.238 5.904 -1.020 1.00 0.00 C ATOM 1099 OD1 ASN A 70 -10.535 5.401 -2.085 1.00 0.00 O ATOM 1100 ND2 ASN A 70 -10.504 7.161 -0.795 1.00 0.00 N ATOM 0 H ASN A 70 -8.443 2.084 0.135 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.070 3.632 -1.436 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.307 4.534 0.649 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -9.029 5.728 0.762 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.962 7.722 -1.514 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.254 7.583 0.099 1.00 0.00 H new ATOM 1107 N ALA A 71 -6.252 4.074 -1.236 1.00 0.00 N ATOM 1108 CA ALA A 71 -4.972 4.690 -1.687 1.00 0.00 C ATOM 1109 C ALA A 71 -5.105 5.158 -3.137 1.00 0.00 C ATOM 1110 O ALA A 71 -5.844 4.584 -3.918 1.00 0.00 O ATOM 1111 CB ALA A 71 -3.846 3.656 -1.580 1.00 0.00 C ATOM 0 H ALA A 71 -6.219 3.063 -1.105 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.741 5.548 -1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.908 4.104 -1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.749 3.330 -0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.079 2.798 -2.210 1.00 0.00 H new ATOM 1117 N ARG A 72 -4.392 6.198 -3.497 1.00 0.00 N ATOM 1118 CA ARG A 72 -4.465 6.726 -4.890 1.00 0.00 C ATOM 1119 C ARG A 72 -3.231 6.287 -5.682 1.00 0.00 C ATOM 1120 O ARG A 72 -2.106 6.494 -5.273 1.00 0.00 O ATOM 1121 CB ARG A 72 -4.523 8.252 -4.843 1.00 0.00 C ATOM 1122 CG ARG A 72 -4.910 8.785 -6.223 1.00 0.00 C ATOM 1123 CD ARG A 72 -5.031 10.308 -6.172 1.00 0.00 C ATOM 1124 NE ARG A 72 -3.702 10.908 -5.856 1.00 0.00 N ATOM 1125 CZ ARG A 72 -2.847 11.175 -6.809 1.00 0.00 C ATOM 1126 NH1 ARG A 72 -3.139 10.902 -8.052 1.00 0.00 N ATOM 1127 NH2 ARG A 72 -1.695 11.714 -6.515 1.00 0.00 N ATOM 0 H ARG A 72 -3.759 6.705 -2.879 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.358 6.335 -5.379 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.249 8.577 -4.098 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.556 8.655 -4.543 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.160 8.495 -6.959 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.856 8.346 -6.541 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.393 10.686 -7.128 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.761 10.599 -5.417 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.458 11.112 -4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.038 10.478 -8.284 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.469 11.112 -8.791 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.464 11.926 -5.544 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.026 11.923 -7.256 1.00 0.00 H new ATOM 1141 N VAL A 73 -3.443 5.680 -6.820 1.00 0.00 N ATOM 1142 CA VAL A 73 -2.296 5.217 -7.654 1.00 0.00 C ATOM 1143 C VAL A 73 -1.925 6.308 -8.657 1.00 0.00 C ATOM 1144 O VAL A 73 -2.774 6.872 -9.321 1.00 0.00 O ATOM 1145 CB VAL A 73 -2.696 3.949 -8.407 1.00 0.00 C ATOM 1146 CG1 VAL A 73 -1.587 3.554 -9.384 1.00 0.00 C ATOM 1147 CG2 VAL A 73 -2.920 2.818 -7.403 1.00 0.00 C ATOM 0 H VAL A 73 -4.365 5.484 -7.209 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.440 5.006 -7.013 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.614 4.133 -8.965 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.878 2.649 -9.918 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.427 4.361 -10.098 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.665 3.369 -8.833 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.206 1.911 -7.935 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.000 2.638 -6.846 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.714 3.098 -6.711 1.00 0.00 H new ATOM 1157 N ALA A 74 -0.659 6.610 -8.776 1.00 0.00 N ATOM 1158 CA ALA A 74 -0.225 7.664 -9.736 1.00 0.00 C ATOM 1159 C ALA A 74 1.096 7.247 -10.373 1.00 0.00 C ATOM 1160 O ALA A 74 1.843 6.461 -9.821 1.00 0.00 O ATOM 1161 CB ALA A 74 -0.032 8.984 -8.990 1.00 0.00 C ATOM 0 H ALA A 74 0.094 6.170 -8.248 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.983 7.791 -10.509 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.285 9.755 -9.692 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.973 9.281 -8.526 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.729 8.859 -8.220 1.00 0.00 H new ATOM 1167 N GLN A 75 1.390 7.766 -11.540 1.00 0.00 N ATOM 1168 CA GLN A 75 2.662 7.409 -12.237 1.00 0.00 C ATOM 1169 C GLN A 75 3.572 8.632 -12.300 1.00 0.00 C ATOM 1170 O GLN A 75 3.233 9.646 -12.881 1.00 0.00 O ATOM 1171 CB GLN A 75 2.343 6.937 -13.653 1.00 0.00 C ATOM 1172 CG GLN A 75 3.644 6.576 -14.372 1.00 0.00 C ATOM 1173 CD GLN A 75 3.324 5.927 -15.717 1.00 0.00 C ATOM 1174 OE1 GLN A 75 2.506 6.422 -16.467 1.00 0.00 O ATOM 1175 NE2 GLN A 75 3.941 4.828 -16.056 1.00 0.00 N ATOM 0 H GLN A 75 0.797 8.427 -12.042 1.00 0.00 H new ATOM 0 HA GLN A 75 3.167 6.613 -11.690 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.681 6.072 -13.620 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.817 7.720 -14.200 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.248 7.471 -14.523 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.233 5.894 -13.759 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.627 4.413 -15.426 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.737 4.384 -16.951 1.00 0.00 H new ATOM 1184 N PHE A 76 4.738 8.535 -11.705 1.00 0.00 N ATOM 1185 CA PHE A 76 5.706 9.673 -11.715 1.00 0.00 C ATOM 1186 C PHE A 76 7.049 9.198 -12.273 1.00 0.00 C ATOM 1187 O PHE A 76 7.557 8.158 -11.907 1.00 0.00 O ATOM 1188 CB PHE A 76 5.897 10.192 -10.288 1.00 0.00 C ATOM 1189 CG PHE A 76 4.677 10.983 -9.869 1.00 0.00 C ATOM 1190 CD1 PHE A 76 4.461 12.261 -10.399 1.00 0.00 C ATOM 1191 CD2 PHE A 76 3.765 10.443 -8.953 1.00 0.00 C ATOM 1192 CE1 PHE A 76 3.335 12.998 -10.014 1.00 0.00 C ATOM 1193 CE2 PHE A 76 2.640 11.182 -8.566 1.00 0.00 C ATOM 1194 CZ PHE A 76 2.425 12.460 -9.098 1.00 0.00 C ATOM 0 H PHE A 76 5.061 7.705 -11.208 1.00 0.00 H new ATOM 0 HA PHE A 76 5.318 10.475 -12.343 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.054 9.358 -9.605 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.786 10.820 -10.234 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.164 12.678 -11.105 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.929 9.457 -8.545 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.169 13.983 -10.425 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.938 10.767 -7.858 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.557 13.030 -8.801 1.00 0.00 H new ATOM 1204 N ASN A 77 7.620 9.965 -13.160 1.00 0.00 N ATOM 1205 CA ASN A 77 8.932 9.597 -13.770 1.00 0.00 C ATOM 1206 C ASN A 77 8.833 8.209 -14.417 1.00 0.00 C ATOM 1207 O ASN A 77 9.801 7.477 -14.501 1.00 0.00 O ATOM 1208 CB ASN A 77 10.030 9.602 -12.698 1.00 0.00 C ATOM 1209 CG ASN A 77 10.315 11.046 -12.282 1.00 0.00 C ATOM 1210 OD1 ASN A 77 9.933 11.972 -12.971 1.00 0.00 O ATOM 1211 ND2 ASN A 77 10.971 11.280 -11.180 1.00 0.00 N ATOM 0 H ASN A 77 7.228 10.845 -13.494 1.00 0.00 H new ATOM 0 HA ASN A 77 9.187 10.329 -14.536 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.715 9.017 -11.834 1.00 0.00 H new ATOM 0 HB3 ASN A 77 10.936 9.136 -13.085 1.00 0.00 H new ATOM 0 HD21 ASN A 77 11.164 12.240 -10.895 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.291 10.503 -10.602 1.00 0.00 H new ATOM 1218 N GLY A 78 7.674 7.858 -14.902 1.00 0.00 N ATOM 1219 CA GLY A 78 7.507 6.534 -15.569 1.00 0.00 C ATOM 1220 C GLY A 78 7.450 5.420 -14.523 1.00 0.00 C ATOM 1221 O GLY A 78 7.402 4.253 -14.858 1.00 0.00 O ATOM 0 H GLY A 78 6.832 8.433 -14.865 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.594 6.531 -16.164 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.335 6.357 -16.255 1.00 0.00 H new ATOM 1225 N TYR A 79 7.455 5.767 -13.256 1.00 0.00 N ATOM 1226 CA TYR A 79 7.401 4.728 -12.179 1.00 0.00 C ATOM 1227 C TYR A 79 6.088 4.854 -11.405 1.00 0.00 C ATOM 1228 O TYR A 79 5.646 5.939 -11.074 1.00 0.00 O ATOM 1229 CB TYR A 79 8.577 4.924 -11.223 1.00 0.00 C ATOM 1230 CG TYR A 79 9.871 4.659 -11.958 1.00 0.00 C ATOM 1231 CD1 TYR A 79 10.306 3.343 -12.161 1.00 0.00 C ATOM 1232 CD2 TYR A 79 10.640 5.730 -12.432 1.00 0.00 C ATOM 1233 CE1 TYR A 79 11.509 3.098 -12.836 1.00 0.00 C ATOM 1234 CE2 TYR A 79 11.844 5.484 -13.105 1.00 0.00 C ATOM 1235 CZ TYR A 79 12.277 4.167 -13.307 1.00 0.00 C ATOM 1236 OH TYR A 79 13.464 3.926 -13.970 1.00 0.00 O ATOM 0 H TYR A 79 7.494 6.730 -12.922 1.00 0.00 H new ATOM 0 HA TYR A 79 7.459 3.738 -12.631 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.572 5.939 -10.827 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.485 4.249 -10.372 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.714 2.517 -11.797 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.305 6.745 -12.279 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.843 2.083 -12.993 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.438 6.310 -13.468 1.00 0.00 H new ATOM 0 HH TYR A 79 13.872 4.778 -14.231 1.00 0.00 H new ATOM 1246 N LEU A 80 5.461 3.746 -11.122 1.00 0.00 N ATOM 1247 CA LEU A 80 4.171 3.778 -10.383 1.00 0.00 C ATOM 1248 C LEU A 80 4.415 4.031 -8.897 1.00 0.00 C ATOM 1249 O LEU A 80 5.402 3.604 -8.331 1.00 0.00 O ATOM 1250 CB LEU A 80 3.460 2.436 -10.567 1.00 0.00 C ATOM 1251 CG LEU A 80 3.193 2.197 -12.061 1.00 0.00 C ATOM 1252 CD1 LEU A 80 2.540 0.823 -12.248 1.00 0.00 C ATOM 1253 CD2 LEU A 80 2.265 3.294 -12.618 1.00 0.00 C ATOM 0 H LEU A 80 5.791 2.814 -11.373 1.00 0.00 H new ATOM 0 HA LEU A 80 3.552 4.585 -10.775 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.072 1.630 -10.163 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.521 2.431 -10.014 1.00 0.00 H new ATOM 0 HG LEU A 80 4.139 2.229 -12.602 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.350 0.652 -13.308 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.207 0.049 -11.869 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.598 0.790 -11.700 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.083 3.114 -13.677 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.318 3.277 -12.079 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.737 4.268 -12.492 1.00 0.00 H new ATOM 1265 N SER A 81 3.512 4.727 -8.260 1.00 0.00 N ATOM 1266 CA SER A 81 3.673 5.017 -6.811 1.00 0.00 C ATOM 1267 C SER A 81 2.294 5.204 -6.181 1.00 0.00 C ATOM 1268 O SER A 81 1.316 5.457 -6.860 1.00 0.00 O ATOM 1269 CB SER A 81 4.491 6.294 -6.631 1.00 0.00 C ATOM 1270 OG SER A 81 3.754 7.396 -7.144 1.00 0.00 O ATOM 0 H SER A 81 2.667 5.108 -8.685 1.00 0.00 H new ATOM 0 HA SER A 81 4.190 4.187 -6.328 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.716 6.451 -5.576 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.445 6.205 -7.151 1.00 0.00 H new ATOM 0 HG SER A 81 4.274 8.219 -7.030 1.00 0.00 H new ATOM 1276 N LEU A 82 2.207 5.077 -4.881 1.00 0.00 N ATOM 1277 CA LEU A 82 0.897 5.239 -4.184 1.00 0.00 C ATOM 1278 C LEU A 82 0.892 6.561 -3.427 1.00 0.00 C ATOM 1279 O LEU A 82 1.774 6.839 -2.636 1.00 0.00 O ATOM 1280 CB LEU A 82 0.715 4.088 -3.198 1.00 0.00 C ATOM 1281 CG LEU A 82 0.840 2.755 -3.945 1.00 0.00 C ATOM 1282 CD1 LEU A 82 0.706 1.600 -2.948 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -0.260 2.648 -5.014 1.00 0.00 C ATOM 0 H LEU A 82 2.995 4.866 -4.268 1.00 0.00 H new ATOM 0 HA LEU A 82 0.085 5.233 -4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.465 4.148 -2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.260 4.158 -2.716 1.00 0.00 H new ATOM 0 HG LEU A 82 1.814 2.705 -4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.794 0.651 -3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.494 1.673 -2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.266 1.653 -2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.165 1.698 -5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.238 2.701 -4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.158 3.468 -5.724 1.00 0.00 H new ATOM 1295 N SER A 83 -0.102 7.380 -3.665 1.00 0.00 N ATOM 1296 CA SER A 83 -0.188 8.697 -2.972 1.00 0.00 C ATOM 1297 C SER A 83 -1.323 8.651 -1.954 1.00 0.00 C ATOM 1298 O SER A 83 -2.435 8.261 -2.258 1.00 0.00 O ATOM 1299 CB SER A 83 -0.470 9.789 -4.002 1.00 0.00 C ATOM 1300 OG SER A 83 -0.749 11.008 -3.328 1.00 0.00 O ATOM 0 H SER A 83 -0.863 7.188 -4.316 1.00 0.00 H new ATOM 0 HA SER A 83 0.752 8.911 -2.463 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.389 9.913 -4.662 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.315 9.505 -4.629 1.00 0.00 H new ATOM 0 HG SER A 83 -1.649 11.314 -3.565 1.00 0.00 H new ATOM 1306 N VAL A 84 -1.044 9.045 -0.737 1.00 0.00 N ATOM 1307 CA VAL A 84 -2.090 9.030 0.324 1.00 0.00 C ATOM 1308 C VAL A 84 -2.607 10.453 0.537 1.00 0.00 C ATOM 1309 O VAL A 84 -1.897 11.330 1.005 1.00 0.00 O ATOM 1310 CB VAL A 84 -1.477 8.501 1.621 1.00 0.00 C ATOM 1311 CG1 VAL A 84 -2.587 8.077 2.581 1.00 0.00 C ATOM 1312 CG2 VAL A 84 -0.587 7.295 1.303 1.00 0.00 C ATOM 0 H VAL A 84 -0.129 9.378 -0.433 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.918 8.386 0.026 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.881 9.285 2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.146 7.701 3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.221 8.935 2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.187 7.293 2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.147 6.914 2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.187 6.513 0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.207 7.599 0.621 1.00 0.00 H new ATOM 1322 N GLY A 85 -3.845 10.687 0.181 1.00 0.00 N ATOM 1323 CA GLY A 85 -4.439 12.046 0.335 1.00 0.00 C ATOM 1324 C GLY A 85 -5.195 12.144 1.663 1.00 0.00 C ATOM 1325 O GLY A 85 -5.230 11.214 2.445 1.00 0.00 O ATOM 0 H GLY A 85 -4.474 9.987 -0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.653 12.801 0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.117 12.251 -0.494 1.00 0.00 H new ATOM 1329 N ASP A 86 -5.810 13.268 1.910 1.00 0.00 N ATOM 1330 CA ASP A 86 -6.582 13.446 3.172 1.00 0.00 C ATOM 1331 C ASP A 86 -7.835 12.567 3.131 1.00 0.00 C ATOM 1332 O ASP A 86 -8.459 12.306 4.141 1.00 0.00 O ATOM 1333 CB ASP A 86 -6.995 14.912 3.302 1.00 0.00 C ATOM 1334 CG ASP A 86 -5.768 15.768 3.619 1.00 0.00 C ATOM 1335 OD1 ASP A 86 -4.752 15.201 3.986 1.00 0.00 O ATOM 1336 OD2 ASP A 86 -5.865 16.976 3.488 1.00 0.00 O ATOM 0 H ASP A 86 -5.811 14.076 1.287 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.966 13.159 4.024 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.458 15.253 2.376 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.740 15.021 4.090 1.00 0.00 H new ATOM 1341 N SER A 87 -8.216 12.118 1.967 1.00 0.00 N ATOM 1342 CA SER A 87 -9.432 11.264 1.857 1.00 0.00 C ATOM 1343 C SER A 87 -9.056 9.805 2.135 1.00 0.00 C ATOM 1344 O SER A 87 -9.907 8.956 2.320 1.00 0.00 O ATOM 1345 CB SER A 87 -9.993 11.381 0.440 1.00 0.00 C ATOM 1346 OG SER A 87 -10.438 12.715 0.217 1.00 0.00 O ATOM 0 H SER A 87 -7.737 12.306 1.086 1.00 0.00 H new ATOM 0 HA SER A 87 -10.180 11.590 2.580 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.228 11.114 -0.289 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.819 10.683 0.305 1.00 0.00 H new ATOM 0 HG SER A 87 -10.797 12.793 -0.692 1.00 0.00 H new ATOM 1352 N SER A 88 -7.783 9.508 2.163 1.00 0.00 N ATOM 1353 CA SER A 88 -7.343 8.106 2.424 1.00 0.00 C ATOM 1354 C SER A 88 -7.235 7.870 3.929 1.00 0.00 C ATOM 1355 O SER A 88 -7.202 8.800 4.711 1.00 0.00 O ATOM 1356 CB SER A 88 -5.983 7.866 1.773 1.00 0.00 C ATOM 1357 OG SER A 88 -6.162 7.682 0.376 1.00 0.00 O ATOM 0 H SER A 88 -7.028 10.178 2.016 1.00 0.00 H new ATOM 0 HA SER A 88 -8.075 7.417 2.002 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.322 8.713 1.959 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.507 6.988 2.210 1.00 0.00 H new ATOM 0 HG SER A 88 -6.764 6.925 0.220 1.00 0.00 H new ATOM 1363 N ARG A 89 -7.179 6.624 4.341 1.00 0.00 N ATOM 1364 CA ARG A 89 -7.073 6.314 5.801 1.00 0.00 C ATOM 1365 C ARG A 89 -5.883 5.390 6.050 1.00 0.00 C ATOM 1366 O ARG A 89 -5.593 4.502 5.271 1.00 0.00 O ATOM 1367 CB ARG A 89 -8.360 5.622 6.257 1.00 0.00 C ATOM 1368 CG ARG A 89 -9.561 6.562 6.066 1.00 0.00 C ATOM 1369 CD ARG A 89 -9.666 7.542 7.243 1.00 0.00 C ATOM 1370 NE ARG A 89 -9.803 6.776 8.514 1.00 0.00 N ATOM 1371 CZ ARG A 89 -10.972 6.345 8.901 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -12.029 6.573 8.169 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -11.083 5.681 10.017 1.00 0.00 N ATOM 0 H ARG A 89 -7.202 5.809 3.728 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.929 7.238 6.361 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.511 4.706 5.687 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.276 5.335 7.305 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -9.453 7.115 5.133 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -10.478 5.979 5.987 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -8.781 8.177 7.282 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -10.525 8.200 7.107 1.00 0.00 H new ATOM 0 HE ARG A 89 -8.979 6.588 9.084 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -11.941 7.089 7.293 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -12.942 6.235 8.473 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -10.257 5.499 10.586 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -11.996 5.343 10.321 1.00 0.00 H new ATOM 1387 N ILE A 90 -5.197 5.599 7.147 1.00 0.00 N ATOM 1388 CA ILE A 90 -4.018 4.753 7.494 1.00 0.00 C ATOM 1389 C ILE A 90 -4.297 4.026 8.809 1.00 0.00 C ATOM 1390 O ILE A 90 -4.692 4.629 9.790 1.00 0.00 O ATOM 1391 CB ILE A 90 -2.785 5.641 7.657 1.00 0.00 C ATOM 1392 CG1 ILE A 90 -2.439 6.275 6.306 1.00 0.00 C ATOM 1393 CG2 ILE A 90 -1.608 4.794 8.147 1.00 0.00 C ATOM 1394 CD1 ILE A 90 -1.340 7.325 6.490 1.00 0.00 C ATOM 0 H ILE A 90 -5.409 6.331 7.825 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.839 4.027 6.701 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.990 6.426 8.385 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.107 5.506 5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.326 6.737 5.873 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.728 5.427 8.264 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.860 4.342 9.106 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.397 4.009 7.420 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.099 7.772 5.526 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.688 8.100 7.172 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.450 6.851 6.903 1.00 0.00 H new ATOM 1406 N GLU A 91 -4.094 2.731 8.835 1.00 0.00 N ATOM 1407 CA GLU A 91 -4.341 1.941 10.080 1.00 0.00 C ATOM 1408 C GLU A 91 -3.079 1.160 10.443 1.00 0.00 C ATOM 1409 O GLU A 91 -2.575 0.366 9.672 1.00 0.00 O ATOM 1410 CB GLU A 91 -5.505 0.980 9.841 1.00 0.00 C ATOM 1411 CG GLU A 91 -6.795 1.792 9.707 1.00 0.00 C ATOM 1412 CD GLU A 91 -7.964 0.862 9.389 1.00 0.00 C ATOM 1413 OE1 GLU A 91 -7.731 -0.329 9.270 1.00 0.00 O ATOM 1414 OE2 GLU A 91 -9.072 1.357 9.268 1.00 0.00 O ATOM 0 H GLU A 91 -3.765 2.184 8.040 1.00 0.00 H new ATOM 0 HA GLU A 91 -4.592 2.610 10.903 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.332 0.395 8.938 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.587 0.274 10.667 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.991 2.334 10.632 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.686 2.536 8.918 1.00 0.00 H new ATOM 1421 N SER A 92 -2.559 1.394 11.619 1.00 0.00 N ATOM 1422 CA SER A 92 -1.324 0.687 12.054 1.00 0.00 C ATOM 1423 C SER A 92 -1.668 -0.730 12.510 1.00 0.00 C ATOM 1424 O SER A 92 -2.786 -1.012 12.895 1.00 0.00 O ATOM 1425 CB SER A 92 -0.694 1.452 13.216 1.00 0.00 C ATOM 1426 OG SER A 92 -1.355 1.096 14.422 1.00 0.00 O ATOM 0 H SER A 92 -2.942 2.050 12.300 1.00 0.00 H new ATOM 0 HA SER A 92 -0.625 0.634 11.219 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.368 1.219 13.287 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.774 2.526 13.046 1.00 0.00 H new ATOM 0 HG SER A 92 -0.953 1.583 15.171 1.00 0.00 H new ATOM 1432 N VAL A 93 -0.708 -1.625 12.475 1.00 0.00 N ATOM 1433 CA VAL A 93 -0.960 -3.032 12.913 1.00 0.00 C ATOM 1434 C VAL A 93 0.001 -3.387 14.050 1.00 0.00 C ATOM 1435 O VAL A 93 1.196 -3.178 13.964 1.00 0.00 O ATOM 1436 CB VAL A 93 -0.738 -3.975 11.728 1.00 0.00 C ATOM 1437 CG1 VAL A 93 -0.722 -5.430 12.212 1.00 0.00 C ATOM 1438 CG2 VAL A 93 -1.872 -3.784 10.717 1.00 0.00 C ATOM 0 H VAL A 93 0.244 -1.438 12.160 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.986 -3.133 13.266 1.00 0.00 H new ATOM 0 HB VAL A 93 0.219 -3.748 11.258 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.564 -6.094 11.362 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.084 -5.565 12.933 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.675 -5.667 12.685 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.721 -4.453 9.870 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.826 -4.012 11.193 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.878 -2.751 10.368 1.00 0.00 H new