USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 709 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 3 GLN : amide:sc= 1.16 K(o=1.2,f=-0.019) USER MOD Set 1.2: A 77 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 64 SER OG : rot 163:sc= 2.32 USER MOD Set 2.2: A 67 SER OG : rot 61:sc= 1.36 USER MOD Set 3.1: A 4 TYR OH : rot 30:sc= 0 USER MOD Set 3.2: A 54 GLN : amide:sc= -0.0947 K(o=-0.095,f=-2.5!) USER MOD Single : A 1 MET CE :methyl -123:sc=-0.00371 (180deg=-0.213) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.0887 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 1.49 K(o=1.5,f=-0.57) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.877 K(o=0.88,f=0) USER MOD Single : A 23 MET CE :methyl -169:sc= 0 (180deg=-0.353) USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 1.22 (180deg=1.04) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0116 K(o=-0.012,f=-0.9) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot -74:sc= 1.91 USER MOD Single : A 61 LYS NZ :NH3+ 175:sc= 1.22 (180deg=1.17) USER MOD Single : A 62 ASN : amide:sc= 0.85 K(o=0.85,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 148:sc= 1.04 (180deg=0.458) USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00528 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 1.22 K(o=1.2,f=-4.4!) USER MOD Single : A 84 HIS : no HE2:sc= 0.772 K(o=0.77,f=-2.5!) USER MOD Single : A 87 SER OG : rot 180:sc= 0.823 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.897 -12.685 -0.458 1.00 0.00 N ATOM 2 CA MET A 1 -5.032 -13.408 0.511 1.00 0.00 C ATOM 3 C MET A 1 -5.809 -13.700 1.806 1.00 0.00 C ATOM 4 O MET A 1 -6.849 -13.097 2.076 1.00 0.00 O ATOM 5 CB MET A 1 -3.730 -12.639 0.833 1.00 0.00 C ATOM 6 CG MET A 1 -2.719 -12.575 -0.322 1.00 0.00 C ATOM 7 SD MET A 1 -1.252 -11.548 0.014 1.00 0.00 S ATOM 8 CE MET A 1 -0.367 -12.541 1.252 1.00 0.00 C ATOM 0 H1 MET A 1 -6.043 -13.276 -1.301 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.816 -12.478 -0.016 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.438 -11.794 -0.736 1.00 0.00 H new ATOM 0 HA MET A 1 -4.742 -14.347 0.040 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.988 -11.622 1.128 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.250 -13.108 1.692 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.392 -13.588 -0.558 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.223 -12.188 -1.208 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.215 -11.947 2.153 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.954 -13.426 1.496 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.600 -12.846 0.851 1.00 0.00 H new ATOM 20 N LEU A 2 -5.298 -14.631 2.614 1.00 0.00 N ATOM 21 CA LEU A 2 -5.882 -15.136 3.852 1.00 0.00 C ATOM 22 C LEU A 2 -4.726 -15.378 4.834 1.00 0.00 C ATOM 23 O LEU A 2 -3.567 -15.452 4.405 1.00 0.00 O ATOM 24 CB LEU A 2 -6.622 -16.446 3.497 1.00 0.00 C ATOM 25 CG LEU A 2 -7.519 -17.056 4.592 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.758 -16.193 4.851 1.00 0.00 C ATOM 27 CD2 LEU A 2 -7.980 -18.447 4.152 1.00 0.00 C ATOM 0 H LEU A 2 -4.406 -15.080 2.404 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.589 -14.445 4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.238 -16.260 2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -5.878 -17.190 3.214 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.934 -17.111 5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.367 -16.654 5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.448 -15.199 5.174 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -9.342 -16.111 3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -8.615 -18.881 4.924 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.543 -18.366 3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -7.111 -19.086 3.995 1.00 0.00 H new ATOM 39 N GLN A 3 -5.023 -15.522 6.127 1.00 0.00 N ATOM 40 CA GLN A 3 -4.061 -15.854 7.174 1.00 0.00 C ATOM 41 C GLN A 3 -4.508 -17.166 7.818 1.00 0.00 C ATOM 42 O GLN A 3 -5.692 -17.320 8.118 1.00 0.00 O ATOM 43 CB GLN A 3 -4.046 -14.716 8.212 1.00 0.00 C ATOM 44 CG GLN A 3 -3.085 -14.940 9.392 1.00 0.00 C ATOM 45 CD GLN A 3 -3.241 -13.854 10.460 1.00 0.00 C ATOM 46 OE1 GLN A 3 -4.044 -13.983 11.380 1.00 0.00 O ATOM 47 NE2 GLN A 3 -2.478 -12.775 10.387 1.00 0.00 N ATOM 0 H GLN A 3 -5.972 -15.406 6.483 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.055 -15.969 6.770 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.774 -13.787 7.710 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.055 -14.584 8.602 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.274 -15.917 9.836 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.057 -14.949 9.029 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.812 -12.672 9.621 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.556 -12.047 11.097 1.00 0.00 H new ATOM 56 N TYR A 4 -3.568 -18.071 8.092 1.00 0.00 N ATOM 57 CA TYR A 4 -3.749 -19.265 8.916 1.00 0.00 C ATOM 58 C TYR A 4 -2.840 -19.139 10.141 1.00 0.00 C ATOM 59 O TYR A 4 -1.762 -18.543 10.068 1.00 0.00 O ATOM 60 CB TYR A 4 -3.359 -20.546 8.144 1.00 0.00 C ATOM 61 CG TYR A 4 -4.398 -21.224 7.258 1.00 0.00 C ATOM 62 CD1 TYR A 4 -5.565 -20.564 6.827 1.00 0.00 C ATOM 63 CD2 TYR A 4 -4.192 -22.567 6.879 1.00 0.00 C ATOM 64 CE1 TYR A 4 -6.529 -21.240 6.062 1.00 0.00 C ATOM 65 CE2 TYR A 4 -5.140 -23.244 6.089 1.00 0.00 C ATOM 66 CZ TYR A 4 -6.323 -22.585 5.688 1.00 0.00 C ATOM 67 OH TYR A 4 -7.260 -23.249 4.957 1.00 0.00 O ATOM 0 H TYR A 4 -2.618 -17.988 7.729 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.799 -19.341 9.200 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.501 -20.303 7.517 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.022 -21.280 8.875 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.720 -19.527 7.088 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -3.298 -23.081 7.198 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.431 -20.729 5.759 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.963 -24.266 5.790 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.740 -22.614 4.386 1.00 0.00 H new ATOM 77 N ARG A 5 -3.225 -19.800 11.231 1.00 0.00 N ATOM 78 CA ARG A 5 -2.347 -20.200 12.325 1.00 0.00 C ATOM 79 C ARG A 5 -2.457 -21.718 12.375 1.00 0.00 C ATOM 80 O ARG A 5 -3.557 -22.249 12.207 1.00 0.00 O ATOM 81 CB ARG A 5 -2.800 -19.557 13.648 1.00 0.00 C ATOM 82 CG ARG A 5 -1.802 -19.782 14.804 1.00 0.00 C ATOM 83 CD ARG A 5 -2.456 -19.410 16.141 1.00 0.00 C ATOM 84 NE ARG A 5 -1.544 -19.582 17.290 1.00 0.00 N ATOM 85 CZ ARG A 5 -1.899 -19.453 18.577 1.00 0.00 C ATOM 86 NH1 ARG A 5 -3.127 -19.055 18.904 1.00 0.00 N ATOM 87 NH2 ARG A 5 -1.029 -19.728 19.543 1.00 0.00 N ATOM 0 H ARG A 5 -4.194 -20.082 11.380 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.317 -19.876 12.174 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.936 -18.486 13.497 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.771 -19.965 13.930 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.484 -20.824 14.823 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.908 -19.178 14.646 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.791 -18.374 16.101 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -3.343 -20.026 16.291 1.00 0.00 H new ATOM 0 HE ARG A 5 -0.572 -19.816 17.090 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.807 -18.845 18.173 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -3.388 -18.960 19.885 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.087 -20.039 19.307 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.304 -19.628 20.520 1.00 0.00 H new ATOM 101 N ILE A 6 -1.347 -22.416 12.581 1.00 0.00 N ATOM 102 CA ILE A 6 -1.292 -23.871 12.597 1.00 0.00 C ATOM 103 C ILE A 6 -0.529 -24.242 13.867 1.00 0.00 C ATOM 104 O ILE A 6 0.439 -23.566 14.226 1.00 0.00 O ATOM 105 CB ILE A 6 -0.619 -24.423 11.312 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.201 -23.832 10.002 1.00 0.00 C ATOM 107 CG2 ILE A 6 -0.698 -25.961 11.275 1.00 0.00 C ATOM 108 CD1 ILE A 6 -0.323 -24.083 8.769 1.00 0.00 C ATOM 0 H ILE A 6 -0.441 -21.976 12.745 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.287 -24.316 12.605 1.00 0.00 H new ATOM 0 HB ILE A 6 0.423 -24.106 11.362 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.188 -24.260 9.828 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.337 -22.758 10.127 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.221 -26.328 10.366 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.187 -26.373 12.145 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.743 -26.272 11.287 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.794 -23.641 7.891 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.657 -23.630 8.922 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.207 -25.156 8.617 1.00 0.00 H new ATOM 120 N ILE A 7 -0.947 -25.316 14.529 1.00 0.00 N ATOM 121 CA ILE A 7 -0.324 -25.859 15.729 1.00 0.00 C ATOM 122 C ILE A 7 -0.141 -27.350 15.444 1.00 0.00 C ATOM 123 O ILE A 7 -1.029 -27.966 14.850 1.00 0.00 O ATOM 124 CB ILE A 7 -1.220 -25.590 16.966 1.00 0.00 C ATOM 125 CG1 ILE A 7 -1.585 -24.098 17.177 1.00 0.00 C ATOM 126 CG2 ILE A 7 -0.576 -26.158 18.244 1.00 0.00 C ATOM 127 CD1 ILE A 7 -0.408 -23.183 17.530 1.00 0.00 C ATOM 0 H ILE A 7 -1.762 -25.853 14.231 1.00 0.00 H new ATOM 0 HA ILE A 7 0.635 -25.394 15.959 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.157 -26.107 16.758 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.056 -23.724 16.268 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.328 -24.031 17.972 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.223 -25.957 19.098 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.441 -27.234 18.136 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.393 -25.685 18.404 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.767 -22.162 17.657 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.053 -23.524 18.457 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.329 -23.212 16.727 1.00 0.00 H new ATOM 139 N VAL A 8 0.997 -27.932 15.828 1.00 0.00 N ATOM 140 CA VAL A 8 1.359 -29.307 15.483 1.00 0.00 C ATOM 141 C VAL A 8 1.948 -29.977 16.723 1.00 0.00 C ATOM 142 O VAL A 8 2.634 -29.313 17.502 1.00 0.00 O ATOM 143 CB VAL A 8 2.373 -29.344 14.311 1.00 0.00 C ATOM 144 CG1 VAL A 8 2.208 -30.641 13.506 1.00 0.00 C ATOM 145 CG2 VAL A 8 2.293 -28.159 13.332 1.00 0.00 C ATOM 0 H VAL A 8 1.700 -27.456 16.393 1.00 0.00 H new ATOM 0 HA VAL A 8 0.469 -29.843 15.155 1.00 0.00 H new ATOM 0 HB VAL A 8 3.348 -29.283 14.795 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.926 -30.654 12.686 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.384 -31.498 14.156 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.196 -30.693 13.103 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.043 -28.281 12.551 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.301 -28.126 12.881 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.478 -27.229 13.870 1.00 0.00 H new ATOM 155 N ASP A 9 1.739 -31.282 16.885 1.00 0.00 N ATOM 156 CA ASP A 9 2.279 -32.076 17.986 1.00 0.00 C ATOM 157 C ASP A 9 2.750 -33.433 17.461 1.00 0.00 C ATOM 158 O ASP A 9 2.311 -33.875 16.394 1.00 0.00 O ATOM 159 CB ASP A 9 1.208 -32.270 19.069 1.00 0.00 C ATOM 160 CG ASP A 9 1.757 -32.968 20.327 1.00 0.00 C ATOM 161 OD1 ASP A 9 2.945 -32.777 20.671 1.00 0.00 O ATOM 162 OD2 ASP A 9 0.987 -33.693 20.997 1.00 0.00 O ATOM 0 H ASP A 9 1.174 -31.831 16.237 1.00 0.00 H new ATOM 0 HA ASP A 9 3.128 -31.550 18.424 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.797 -31.299 19.347 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.386 -32.859 18.661 1.00 0.00 H new ATOM 167 N GLY A 10 3.655 -34.079 18.195 1.00 0.00 N ATOM 168 CA GLY A 10 4.254 -35.362 17.860 1.00 0.00 C ATOM 169 C GLY A 10 5.759 -35.312 18.091 1.00 0.00 C ATOM 170 O GLY A 10 6.262 -34.470 18.839 1.00 0.00 O ATOM 0 H GLY A 10 4.003 -33.703 19.077 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.810 -36.150 18.469 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.046 -35.609 16.819 1.00 0.00 H new ATOM 174 N ARG A 11 6.496 -36.186 17.405 1.00 0.00 N ATOM 175 CA ARG A 11 7.929 -36.017 17.190 1.00 0.00 C ATOM 176 C ARG A 11 8.084 -34.903 16.150 1.00 0.00 C ATOM 177 O ARG A 11 8.206 -35.188 14.957 1.00 0.00 O ATOM 178 CB ARG A 11 8.542 -37.353 16.737 1.00 0.00 C ATOM 179 CG ARG A 11 10.080 -37.314 16.659 1.00 0.00 C ATOM 180 CD ARG A 11 10.613 -38.206 15.531 1.00 0.00 C ATOM 181 NE ARG A 11 10.206 -39.615 15.673 1.00 0.00 N ATOM 182 CZ ARG A 11 10.161 -40.514 14.680 1.00 0.00 C ATOM 183 NH1 ARG A 11 10.540 -40.185 13.446 1.00 0.00 N ATOM 184 NH2 ARG A 11 9.729 -41.746 14.928 1.00 0.00 N ATOM 0 H ARG A 11 6.113 -37.032 16.983 1.00 0.00 H new ATOM 0 HA ARG A 11 8.460 -35.734 18.099 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.239 -38.139 17.429 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.141 -37.617 15.759 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.410 -36.288 16.499 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.501 -37.639 17.610 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.257 -37.825 14.574 1.00 0.00 H new ATOM 0 HD3 ARG A 11 11.701 -38.148 15.512 1.00 0.00 H new ATOM 0 HE ARG A 11 9.936 -39.932 16.604 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.869 -39.240 13.248 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.501 -40.878 12.699 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.434 -42.003 15.870 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.692 -42.435 14.176 1.00 0.00 H new ATOM 198 N VAL A 12 8.001 -33.647 16.588 1.00 0.00 N ATOM 199 CA VAL A 12 7.955 -32.474 15.711 1.00 0.00 C ATOM 200 C VAL A 12 8.999 -31.419 16.117 1.00 0.00 C ATOM 201 O VAL A 12 8.919 -30.279 15.674 1.00 0.00 O ATOM 202 CB VAL A 12 6.513 -31.915 15.628 1.00 0.00 C ATOM 203 CG1 VAL A 12 5.544 -32.945 15.029 1.00 0.00 C ATOM 204 CG2 VAL A 12 5.951 -31.438 16.979 1.00 0.00 C ATOM 0 H VAL A 12 7.963 -33.410 17.579 1.00 0.00 H new ATOM 0 HA VAL A 12 8.231 -32.781 14.702 1.00 0.00 H new ATOM 0 HB VAL A 12 6.591 -31.045 14.976 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.542 -32.519 14.986 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.870 -33.209 14.023 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.532 -33.839 15.653 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.938 -31.061 16.839 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.934 -32.272 17.681 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.583 -30.643 17.376 1.00 0.00 H new ATOM 214 N GLN A 13 9.983 -31.780 16.948 1.00 0.00 N ATOM 215 CA GLN A 13 11.125 -30.930 17.274 1.00 0.00 C ATOM 216 C GLN A 13 12.373 -31.809 17.280 1.00 0.00 C ATOM 217 O GLN A 13 12.286 -32.996 17.619 1.00 0.00 O ATOM 218 CB GLN A 13 10.957 -30.265 18.651 1.00 0.00 C ATOM 219 CG GLN A 13 9.731 -29.344 18.778 1.00 0.00 C ATOM 220 CD GLN A 13 9.758 -28.479 20.047 1.00 0.00 C ATOM 221 OE1 GLN A 13 10.635 -28.589 20.903 1.00 0.00 O ATOM 222 NE2 GLN A 13 8.804 -27.578 20.203 1.00 0.00 N ATOM 0 H GLN A 13 10.005 -32.685 17.418 1.00 0.00 H new ATOM 0 HA GLN A 13 11.206 -30.135 16.533 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.888 -31.045 19.409 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.854 -29.685 18.871 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.679 -28.695 17.904 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.826 -29.951 18.778 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.074 -27.481 19.498 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.798 -26.979 21.029 1.00 0.00 H new ATOM 231 N GLY A 14 13.529 -31.238 16.953 1.00 0.00 N ATOM 232 CA GLY A 14 14.772 -31.978 16.821 1.00 0.00 C ATOM 233 C GLY A 14 14.747 -32.896 15.595 1.00 0.00 C ATOM 234 O GLY A 14 15.332 -33.980 15.635 1.00 0.00 O ATOM 0 H GLY A 14 13.626 -30.239 16.771 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.606 -31.281 16.739 1.00 0.00 H new ATOM 0 HA3 GLY A 14 14.941 -32.572 17.719 1.00 0.00 H new ATOM 238 N VAL A 15 14.048 -32.493 14.534 1.00 0.00 N ATOM 239 CA VAL A 15 13.810 -33.276 13.319 1.00 0.00 C ATOM 240 C VAL A 15 13.986 -32.420 12.051 1.00 0.00 C ATOM 241 O VAL A 15 13.818 -32.934 10.941 1.00 0.00 O ATOM 242 CB VAL A 15 12.425 -33.965 13.382 1.00 0.00 C ATOM 243 CG1 VAL A 15 12.371 -35.054 14.464 1.00 0.00 C ATOM 244 CG2 VAL A 15 11.263 -32.988 13.603 1.00 0.00 C ATOM 0 H VAL A 15 13.613 -31.571 14.495 1.00 0.00 H new ATOM 0 HA VAL A 15 14.563 -34.062 13.262 1.00 0.00 H new ATOM 0 HB VAL A 15 12.301 -34.419 12.399 1.00 0.00 H new ATOM 0 HG11 VAL A 15 11.381 -35.510 14.472 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.120 -35.816 14.251 1.00 0.00 H new ATOM 0 HG13 VAL A 15 12.574 -34.609 15.438 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.324 -33.541 13.636 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.406 -32.459 14.545 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.232 -32.269 12.785 1.00 0.00 H new ATOM 254 N GLY A 16 14.344 -31.142 12.183 1.00 0.00 N ATOM 255 CA GLY A 16 14.497 -30.207 11.086 1.00 0.00 C ATOM 256 C GLY A 16 13.168 -29.525 10.773 1.00 0.00 C ATOM 257 O GLY A 16 12.991 -29.058 9.646 1.00 0.00 O ATOM 0 H GLY A 16 14.540 -30.722 13.092 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.246 -29.457 11.342 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.860 -30.731 10.202 1.00 0.00 H new ATOM 261 N PHE A 17 12.214 -29.518 11.707 1.00 0.00 N ATOM 262 CA PHE A 17 10.847 -29.105 11.443 1.00 0.00 C ATOM 263 C PHE A 17 10.796 -27.637 11.025 1.00 0.00 C ATOM 264 O PHE A 17 10.133 -27.317 10.039 1.00 0.00 O ATOM 265 CB PHE A 17 9.942 -29.366 12.657 1.00 0.00 C ATOM 266 CG PHE A 17 8.501 -29.666 12.283 1.00 0.00 C ATOM 267 CD1 PHE A 17 7.619 -28.632 11.919 1.00 0.00 C ATOM 268 CD2 PHE A 17 8.041 -30.995 12.282 1.00 0.00 C ATOM 269 CE1 PHE A 17 6.290 -28.929 11.558 1.00 0.00 C ATOM 270 CE2 PHE A 17 6.722 -31.296 11.901 1.00 0.00 C ATOM 271 CZ PHE A 17 5.845 -30.261 11.540 1.00 0.00 C ATOM 0 H PHE A 17 12.377 -29.802 12.673 1.00 0.00 H new ATOM 0 HA PHE A 17 10.469 -29.706 10.616 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.344 -30.204 13.226 1.00 0.00 H new ATOM 0 HB3 PHE A 17 9.966 -28.495 13.312 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.962 -27.608 11.916 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.708 -31.792 12.577 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.612 -28.131 11.295 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.384 -32.322 11.886 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.830 -30.489 11.249 1.00 0.00 H new ATOM 281 N ARG A 18 11.504 -26.732 11.713 1.00 0.00 N ATOM 282 CA ARG A 18 11.450 -25.307 11.371 1.00 0.00 C ATOM 283 C ARG A 18 11.970 -25.064 9.956 1.00 0.00 C ATOM 284 O ARG A 18 11.338 -24.336 9.191 1.00 0.00 O ATOM 285 CB ARG A 18 12.245 -24.497 12.404 1.00 0.00 C ATOM 286 CG ARG A 18 11.497 -24.396 13.743 1.00 0.00 C ATOM 287 CD ARG A 18 12.406 -23.917 14.878 1.00 0.00 C ATOM 288 NE ARG A 18 13.302 -24.987 15.338 1.00 0.00 N ATOM 289 CZ ARG A 18 14.199 -24.891 16.319 1.00 0.00 C ATOM 290 NH1 ARG A 18 14.463 -23.717 16.897 1.00 0.00 N ATOM 291 NH2 ARG A 18 14.820 -25.982 16.732 1.00 0.00 N ATOM 0 H ARG A 18 12.113 -26.958 12.499 1.00 0.00 H new ATOM 0 HA ARG A 18 10.412 -24.977 11.395 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.217 -24.965 12.564 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.433 -23.496 12.015 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.658 -23.709 13.637 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.081 -25.370 13.999 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.997 -23.067 14.538 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.796 -23.568 15.711 1.00 0.00 H new ATOM 0 HE ARG A 18 13.231 -25.887 14.862 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.975 -22.876 16.589 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.153 -23.661 17.647 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.610 -26.882 16.301 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.509 -25.924 17.482 1.00 0.00 H new ATOM 305 N TYR A 19 13.094 -25.684 9.589 1.00 0.00 N ATOM 306 CA TYR A 19 13.675 -25.516 8.262 1.00 0.00 C ATOM 307 C TYR A 19 12.785 -26.161 7.199 1.00 0.00 C ATOM 308 O TYR A 19 12.566 -25.562 6.146 1.00 0.00 O ATOM 309 CB TYR A 19 15.098 -26.093 8.251 1.00 0.00 C ATOM 310 CG TYR A 19 15.871 -25.900 6.956 1.00 0.00 C ATOM 311 CD1 TYR A 19 15.963 -24.624 6.359 1.00 0.00 C ATOM 312 CD2 TYR A 19 16.536 -26.992 6.366 1.00 0.00 C ATOM 313 CE1 TYR A 19 16.702 -24.446 5.176 1.00 0.00 C ATOM 314 CE2 TYR A 19 17.283 -26.819 5.186 1.00 0.00 C ATOM 315 CZ TYR A 19 17.368 -25.543 4.584 1.00 0.00 C ATOM 316 OH TYR A 19 18.094 -25.353 3.446 1.00 0.00 O ATOM 0 H TYR A 19 13.620 -26.310 10.199 1.00 0.00 H new ATOM 0 HA TYR A 19 13.737 -24.455 8.021 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.663 -25.636 9.063 1.00 0.00 H new ATOM 0 HB3 TYR A 19 15.040 -27.160 8.464 1.00 0.00 H new ATOM 0 HD1 TYR A 19 15.464 -23.781 6.813 1.00 0.00 H new ATOM 0 HD2 TYR A 19 16.472 -27.969 6.822 1.00 0.00 H new ATOM 0 HE1 TYR A 19 16.761 -23.469 4.719 1.00 0.00 H new ATOM 0 HE2 TYR A 19 17.791 -27.661 4.740 1.00 0.00 H new ATOM 0 HH TYR A 19 18.491 -26.204 3.165 1.00 0.00 H new ATOM 326 N PHE A 20 12.214 -27.338 7.479 1.00 0.00 N ATOM 327 CA PHE A 20 11.257 -27.991 6.597 1.00 0.00 C ATOM 328 C PHE A 20 10.077 -27.058 6.323 1.00 0.00 C ATOM 329 O PHE A 20 9.785 -26.780 5.162 1.00 0.00 O ATOM 330 CB PHE A 20 10.806 -29.327 7.210 1.00 0.00 C ATOM 331 CG PHE A 20 9.608 -29.955 6.523 1.00 0.00 C ATOM 332 CD1 PHE A 20 9.763 -30.615 5.290 1.00 0.00 C ATOM 333 CD2 PHE A 20 8.329 -29.855 7.107 1.00 0.00 C ATOM 334 CE1 PHE A 20 8.645 -31.176 4.646 1.00 0.00 C ATOM 335 CE2 PHE A 20 7.212 -30.405 6.456 1.00 0.00 C ATOM 336 CZ PHE A 20 7.370 -31.068 5.228 1.00 0.00 C ATOM 0 H PHE A 20 12.409 -27.863 8.332 1.00 0.00 H new ATOM 0 HA PHE A 20 11.730 -28.211 5.640 1.00 0.00 H new ATOM 0 HB2 PHE A 20 11.639 -30.029 7.176 1.00 0.00 H new ATOM 0 HB3 PHE A 20 10.566 -29.169 8.261 1.00 0.00 H new ATOM 0 HD1 PHE A 20 10.741 -30.691 4.838 1.00 0.00 H new ATOM 0 HD2 PHE A 20 8.207 -29.355 8.056 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.766 -31.690 3.704 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.231 -30.318 6.900 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.512 -31.495 4.731 1.00 0.00 H new ATOM 346 N VAL A 21 9.443 -26.514 7.364 1.00 0.00 N ATOM 347 CA VAL A 21 8.310 -25.611 7.210 1.00 0.00 C ATOM 348 C VAL A 21 8.730 -24.366 6.421 1.00 0.00 C ATOM 349 O VAL A 21 7.974 -23.934 5.554 1.00 0.00 O ATOM 350 CB VAL A 21 7.710 -25.288 8.594 1.00 0.00 C ATOM 351 CG1 VAL A 21 6.614 -24.218 8.537 1.00 0.00 C ATOM 352 CG2 VAL A 21 7.056 -26.538 9.200 1.00 0.00 C ATOM 0 H VAL A 21 9.703 -26.689 8.335 1.00 0.00 H new ATOM 0 HA VAL A 21 7.521 -26.089 6.629 1.00 0.00 H new ATOM 0 HB VAL A 21 8.545 -24.926 9.194 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.232 -24.035 9.541 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.028 -23.294 8.132 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.802 -24.563 7.897 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.638 -26.293 10.176 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.261 -26.888 8.542 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.805 -27.322 9.313 1.00 0.00 H new ATOM 362 N GLN A 22 9.928 -23.816 6.653 1.00 0.00 N ATOM 363 CA GLN A 22 10.403 -22.664 5.895 1.00 0.00 C ATOM 364 C GLN A 22 10.497 -23.001 4.400 1.00 0.00 C ATOM 365 O GLN A 22 10.062 -22.202 3.572 1.00 0.00 O ATOM 366 CB GLN A 22 11.737 -22.157 6.477 1.00 0.00 C ATOM 367 CG GLN A 22 12.225 -20.885 5.767 1.00 0.00 C ATOM 368 CD GLN A 22 13.493 -20.292 6.382 1.00 0.00 C ATOM 369 OE1 GLN A 22 14.552 -20.916 6.379 1.00 0.00 O ATOM 370 NE2 GLN A 22 13.428 -19.072 6.896 1.00 0.00 N ATOM 0 H GLN A 22 10.582 -24.153 7.360 1.00 0.00 H new ATOM 0 HA GLN A 22 9.684 -21.850 5.986 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.615 -21.955 7.541 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.493 -22.937 6.385 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.412 -21.113 4.718 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.433 -20.137 5.794 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.544 -18.564 6.893 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.262 -18.641 7.295 1.00 0.00 H new ATOM 379 N MET A 23 11.023 -24.174 4.038 1.00 0.00 N ATOM 380 CA MET A 23 11.143 -24.564 2.635 1.00 0.00 C ATOM 381 C MET A 23 9.777 -24.893 2.025 1.00 0.00 C ATOM 382 O MET A 23 9.551 -24.584 0.858 1.00 0.00 O ATOM 383 CB MET A 23 12.073 -25.777 2.491 1.00 0.00 C ATOM 384 CG MET A 23 13.534 -25.443 2.816 1.00 0.00 C ATOM 385 SD MET A 23 14.693 -26.817 2.557 1.00 0.00 S ATOM 386 CE MET A 23 14.168 -27.945 3.877 1.00 0.00 C ATOM 0 H MET A 23 11.372 -24.869 4.699 1.00 0.00 H new ATOM 0 HA MET A 23 11.566 -23.716 2.097 1.00 0.00 H new ATOM 0 HB2 MET A 23 11.731 -26.573 3.152 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.010 -26.160 1.472 1.00 0.00 H new ATOM 0 HG2 MET A 23 13.847 -24.599 2.201 1.00 0.00 H new ATOM 0 HG3 MET A 23 13.598 -25.121 3.855 1.00 0.00 H new ATOM 0 HE1 MET A 23 14.899 -28.747 3.983 1.00 0.00 H new ATOM 0 HE2 MET A 23 14.093 -27.396 4.816 1.00 0.00 H new ATOM 0 HE3 MET A 23 13.196 -28.371 3.627 1.00 0.00 H new ATOM 396 N GLU A 24 8.847 -25.488 2.775 1.00 0.00 N ATOM 397 CA GLU A 24 7.508 -25.758 2.271 1.00 0.00 C ATOM 398 C GLU A 24 6.756 -24.445 2.042 1.00 0.00 C ATOM 399 O GLU A 24 6.088 -24.296 1.018 1.00 0.00 O ATOM 400 CB GLU A 24 6.749 -26.678 3.238 1.00 0.00 C ATOM 401 CG GLU A 24 7.288 -28.118 3.267 1.00 0.00 C ATOM 402 CD GLU A 24 7.299 -28.783 1.881 1.00 0.00 C ATOM 403 OE1 GLU A 24 6.215 -28.987 1.293 1.00 0.00 O ATOM 404 OE2 GLU A 24 8.391 -29.077 1.344 1.00 0.00 O ATOM 0 H GLU A 24 9.002 -25.791 3.736 1.00 0.00 H new ATOM 0 HA GLU A 24 7.585 -26.273 1.313 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.802 -26.259 4.243 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.696 -26.698 2.956 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.301 -28.113 3.670 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.678 -28.715 3.945 1.00 0.00 H new ATOM 411 N ALA A 25 6.910 -23.469 2.943 1.00 0.00 N ATOM 412 CA ALA A 25 6.354 -22.138 2.774 1.00 0.00 C ATOM 413 C ALA A 25 6.955 -21.469 1.539 1.00 0.00 C ATOM 414 O ALA A 25 6.216 -20.868 0.762 1.00 0.00 O ATOM 415 CB ALA A 25 6.617 -21.293 4.022 1.00 0.00 C ATOM 0 H ALA A 25 7.429 -23.589 3.813 1.00 0.00 H new ATOM 0 HA ALA A 25 5.276 -22.222 2.633 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.195 -20.298 3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.152 -21.766 4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.691 -21.212 4.187 1.00 0.00 H new ATOM 421 N ASP A 26 8.269 -21.606 1.328 1.00 0.00 N ATOM 422 CA ASP A 26 8.962 -21.067 0.160 1.00 0.00 C ATOM 423 C ASP A 26 8.395 -21.667 -1.127 1.00 0.00 C ATOM 424 O ASP A 26 8.034 -20.942 -2.052 1.00 0.00 O ATOM 425 CB ASP A 26 10.468 -21.354 0.236 1.00 0.00 C ATOM 426 CG ASP A 26 11.198 -20.657 -0.923 1.00 0.00 C ATOM 427 OD1 ASP A 26 11.402 -19.425 -0.859 1.00 0.00 O ATOM 428 OD2 ASP A 26 11.587 -21.340 -1.896 1.00 0.00 O ATOM 0 H ASP A 26 8.885 -22.101 1.973 1.00 0.00 H new ATOM 0 HA ASP A 26 8.807 -19.988 0.152 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.865 -21.004 1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.644 -22.429 0.193 1.00 0.00 H new ATOM 433 N LYS A 27 8.236 -22.994 -1.160 1.00 0.00 N ATOM 434 CA LYS A 27 7.654 -23.728 -2.283 1.00 0.00 C ATOM 435 C LYS A 27 6.223 -23.271 -2.562 1.00 0.00 C ATOM 436 O LYS A 27 5.808 -23.201 -3.718 1.00 0.00 O ATOM 437 CB LYS A 27 7.787 -25.236 -1.982 1.00 0.00 C ATOM 438 CG LYS A 27 7.217 -26.194 -3.047 1.00 0.00 C ATOM 439 CD LYS A 27 5.741 -26.599 -2.849 1.00 0.00 C ATOM 440 CE LYS A 27 5.443 -27.324 -1.523 1.00 0.00 C ATOM 441 NZ LYS A 27 6.122 -28.639 -1.414 1.00 0.00 N ATOM 0 H LYS A 27 8.515 -23.599 -0.388 1.00 0.00 H new ATOM 0 HA LYS A 27 8.191 -23.519 -3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.843 -25.466 -1.844 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.289 -25.442 -1.034 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.320 -25.725 -4.026 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.826 -27.098 -3.061 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.122 -25.703 -2.904 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.442 -27.244 -3.675 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.754 -26.691 -0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.367 -27.468 -1.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.953 -29.040 -0.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.745 -29.285 -2.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.144 -28.515 -1.559 1.00 0.00 H new ATOM 455 N ARG A 28 5.457 -22.943 -1.521 1.00 0.00 N ATOM 456 CA ARG A 28 4.091 -22.432 -1.623 1.00 0.00 C ATOM 457 C ARG A 28 4.038 -20.902 -1.761 1.00 0.00 C ATOM 458 O ARG A 28 2.939 -20.350 -1.791 1.00 0.00 O ATOM 459 CB ARG A 28 3.297 -22.945 -0.405 1.00 0.00 C ATOM 460 CG ARG A 28 3.071 -24.470 -0.355 1.00 0.00 C ATOM 461 CD ARG A 28 2.000 -24.997 -1.322 1.00 0.00 C ATOM 462 NE ARG A 28 2.429 -24.982 -2.734 1.00 0.00 N ATOM 463 CZ ARG A 28 1.681 -25.341 -3.787 1.00 0.00 C ATOM 464 NH1 ARG A 28 0.439 -25.781 -3.619 1.00 0.00 N ATOM 465 NH2 ARG A 28 2.186 -25.254 -5.014 1.00 0.00 N ATOM 0 H ARG A 28 5.779 -23.028 -0.557 1.00 0.00 H new ATOM 0 HA ARG A 28 3.633 -22.805 -2.539 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.821 -22.643 0.502 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.326 -22.451 -0.392 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.015 -24.970 -0.574 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.791 -24.748 0.661 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.737 -26.017 -1.041 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.098 -24.394 -1.217 1.00 0.00 H new ATOM 0 HE ARG A 28 3.381 -24.670 -2.926 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.044 -25.849 -2.681 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.120 -26.051 -4.428 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.138 -24.915 -5.151 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.621 -25.526 -5.819 1.00 0.00 H new ATOM 479 N LYS A 29 5.184 -20.215 -1.879 1.00 0.00 N ATOM 480 CA LYS A 29 5.308 -18.753 -1.955 1.00 0.00 C ATOM 481 C LYS A 29 4.509 -18.034 -0.854 1.00 0.00 C ATOM 482 O LYS A 29 4.000 -16.931 -1.062 1.00 0.00 O ATOM 483 CB LYS A 29 4.977 -18.256 -3.380 1.00 0.00 C ATOM 484 CG LYS A 29 5.814 -18.890 -4.508 1.00 0.00 C ATOM 485 CD LYS A 29 7.299 -18.490 -4.458 1.00 0.00 C ATOM 486 CE LYS A 29 8.136 -19.212 -5.526 1.00 0.00 C ATOM 487 NZ LYS A 29 7.805 -18.792 -6.913 1.00 0.00 N ATOM 0 H LYS A 29 6.088 -20.684 -1.926 1.00 0.00 H new ATOM 0 HA LYS A 29 6.348 -18.491 -1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.923 -18.449 -3.579 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.114 -17.175 -3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.734 -19.975 -4.445 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.397 -18.595 -5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.387 -17.413 -4.598 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.701 -18.717 -3.470 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.193 -19.023 -5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.983 -20.287 -5.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.402 -19.314 -7.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.804 -18.996 -7.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.977 -17.772 -7.017 1.00 0.00 H new ATOM 501 N LEU A 30 4.380 -18.664 0.314 1.00 0.00 N ATOM 502 CA LEU A 30 3.739 -18.095 1.489 1.00 0.00 C ATOM 503 C LEU A 30 4.700 -17.127 2.180 1.00 0.00 C ATOM 504 O LEU A 30 5.911 -17.149 1.942 1.00 0.00 O ATOM 505 CB LEU A 30 3.341 -19.221 2.457 1.00 0.00 C ATOM 506 CG LEU A 30 2.255 -20.168 1.918 1.00 0.00 C ATOM 507 CD1 LEU A 30 2.003 -21.280 2.932 1.00 0.00 C ATOM 508 CD2 LEU A 30 0.937 -19.457 1.607 1.00 0.00 C ATOM 0 H LEU A 30 4.730 -19.610 0.468 1.00 0.00 H new ATOM 0 HA LEU A 30 2.843 -17.553 1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.228 -19.806 2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.989 -18.776 3.388 1.00 0.00 H new ATOM 0 HG LEU A 30 2.627 -20.575 0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.234 -21.952 2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.924 -21.839 3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.671 -20.845 3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.213 -20.180 1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.550 -18.995 2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.107 -18.688 0.853 1.00 0.00 H new ATOM 520 N ALA A 31 4.156 -16.322 3.089 1.00 0.00 N ATOM 521 CA ALA A 31 4.896 -15.475 4.016 1.00 0.00 C ATOM 522 C ALA A 31 4.349 -15.738 5.422 1.00 0.00 C ATOM 523 O ALA A 31 3.258 -16.293 5.543 1.00 0.00 O ATOM 524 CB ALA A 31 4.704 -14.017 3.601 1.00 0.00 C ATOM 0 H ALA A 31 3.146 -16.240 3.203 1.00 0.00 H new ATOM 0 HA ALA A 31 5.964 -15.692 4.005 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.252 -13.369 4.285 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.079 -13.875 2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.644 -13.766 3.634 1.00 0.00 H new ATOM 530 N GLY A 32 5.078 -15.386 6.481 1.00 0.00 N ATOM 531 CA GLY A 32 4.683 -15.712 7.846 1.00 0.00 C ATOM 532 C GLY A 32 5.886 -16.046 8.720 1.00 0.00 C ATOM 533 O GLY A 32 6.980 -15.511 8.518 1.00 0.00 O ATOM 0 H GLY A 32 5.955 -14.869 6.415 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.142 -14.870 8.279 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.997 -16.559 7.833 1.00 0.00 H new ATOM 537 N TRP A 33 5.689 -16.926 9.700 1.00 0.00 N ATOM 538 CA TRP A 33 6.761 -17.463 10.516 1.00 0.00 C ATOM 539 C TRP A 33 6.429 -18.841 11.095 1.00 0.00 C ATOM 540 O TRP A 33 5.272 -19.270 11.095 1.00 0.00 O ATOM 541 CB TRP A 33 7.120 -16.467 11.630 1.00 0.00 C ATOM 542 CG TRP A 33 5.987 -15.931 12.450 1.00 0.00 C ATOM 543 CD1 TRP A 33 5.427 -16.527 13.526 1.00 0.00 C ATOM 544 CD2 TRP A 33 5.277 -14.667 12.282 1.00 0.00 C ATOM 545 NE1 TRP A 33 4.437 -15.718 14.044 1.00 0.00 N ATOM 546 CE2 TRP A 33 4.308 -14.548 13.323 1.00 0.00 C ATOM 547 CE3 TRP A 33 5.369 -13.598 11.363 1.00 0.00 C ATOM 548 CZ2 TRP A 33 3.487 -13.418 13.454 1.00 0.00 C ATOM 549 CZ3 TRP A 33 4.541 -12.466 11.478 1.00 0.00 C ATOM 550 CH2 TRP A 33 3.601 -12.372 12.520 1.00 0.00 C ATOM 0 H TRP A 33 4.767 -17.286 9.948 1.00 0.00 H new ATOM 0 HA TRP A 33 7.626 -17.605 9.869 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.827 -16.952 12.304 1.00 0.00 H new ATOM 0 HB3 TRP A 33 7.639 -15.623 11.176 1.00 0.00 H new ATOM 0 HD1 TRP A 33 5.712 -17.491 13.921 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.871 -15.955 14.859 1.00 0.00 H new ATOM 0 HE3 TRP A 33 6.087 -13.650 10.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.775 -13.352 14.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.628 -11.663 10.761 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.969 -11.500 12.603 1.00 0.00 H new ATOM 561 N VAL A 34 7.450 -19.501 11.650 1.00 0.00 N ATOM 562 CA VAL A 34 7.357 -20.762 12.385 1.00 0.00 C ATOM 563 C VAL A 34 8.198 -20.652 13.658 1.00 0.00 C ATOM 564 O VAL A 34 9.243 -19.994 13.647 1.00 0.00 O ATOM 565 CB VAL A 34 7.801 -21.933 11.472 1.00 0.00 C ATOM 566 CG1 VAL A 34 9.248 -21.814 10.959 1.00 0.00 C ATOM 567 CG2 VAL A 34 7.644 -23.299 12.159 1.00 0.00 C ATOM 0 H VAL A 34 8.407 -19.153 11.595 1.00 0.00 H new ATOM 0 HA VAL A 34 6.328 -20.966 12.682 1.00 0.00 H new ATOM 0 HB VAL A 34 7.130 -21.865 10.616 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.482 -22.671 10.328 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.354 -20.897 10.380 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.934 -21.790 11.806 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.968 -24.087 11.480 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.254 -23.325 13.062 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.598 -23.455 12.424 1.00 0.00 H new ATOM 577 N LYS A 35 7.788 -21.321 14.741 1.00 0.00 N ATOM 578 CA LYS A 35 8.583 -21.468 15.955 1.00 0.00 C ATOM 579 C LYS A 35 8.346 -22.839 16.583 1.00 0.00 C ATOM 580 O LYS A 35 7.279 -23.437 16.415 1.00 0.00 O ATOM 581 CB LYS A 35 8.280 -20.328 16.950 1.00 0.00 C ATOM 582 CG LYS A 35 6.856 -20.360 17.540 1.00 0.00 C ATOM 583 CD LYS A 35 6.661 -19.326 18.657 1.00 0.00 C ATOM 584 CE LYS A 35 6.698 -17.882 18.138 1.00 0.00 C ATOM 585 NZ LYS A 35 6.671 -16.905 19.253 1.00 0.00 N ATOM 0 H LYS A 35 6.879 -21.781 14.795 1.00 0.00 H new ATOM 0 HA LYS A 35 9.638 -21.399 15.692 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.000 -20.374 17.767 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.430 -19.373 16.446 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.133 -20.174 16.746 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.650 -21.356 17.931 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.706 -19.506 19.151 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.439 -19.458 19.409 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.598 -17.731 17.542 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.847 -17.709 17.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.697 -15.939 18.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.800 -17.034 19.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.497 -17.056 19.867 1.00 0.00 H new ATOM 599 N ASN A 36 9.325 -23.303 17.357 1.00 0.00 N ATOM 600 CA ASN A 36 9.148 -24.410 18.290 1.00 0.00 C ATOM 601 C ASN A 36 8.570 -23.798 19.562 1.00 0.00 C ATOM 602 O ASN A 36 9.169 -22.871 20.113 1.00 0.00 O ATOM 603 CB ASN A 36 10.505 -25.080 18.587 1.00 0.00 C ATOM 604 CG ASN A 36 10.926 -26.119 17.543 1.00 0.00 C ATOM 605 OD1 ASN A 36 10.285 -26.279 16.510 1.00 0.00 O ATOM 606 ND2 ASN A 36 12.010 -26.831 17.805 1.00 0.00 N ATOM 0 H ASN A 36 10.269 -22.918 17.353 1.00 0.00 H new ATOM 0 HA ASN A 36 8.490 -25.177 17.881 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.274 -24.310 18.649 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.456 -25.561 19.564 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.332 -27.534 17.140 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.524 -26.677 18.672 1.00 0.00 H new ATOM 613 N ARG A 37 7.419 -24.283 20.033 1.00 0.00 N ATOM 614 CA ARG A 37 6.880 -23.874 21.330 1.00 0.00 C ATOM 615 C ARG A 37 7.675 -24.583 22.422 1.00 0.00 C ATOM 616 O ARG A 37 8.080 -25.734 22.245 1.00 0.00 O ATOM 617 CB ARG A 37 5.384 -24.218 21.439 1.00 0.00 C ATOM 618 CG ARG A 37 4.515 -23.369 20.488 1.00 0.00 C ATOM 619 CD ARG A 37 3.010 -23.644 20.647 1.00 0.00 C ATOM 620 NE ARG A 37 2.572 -23.478 22.035 1.00 0.00 N ATOM 621 CZ ARG A 37 2.071 -22.377 22.605 1.00 0.00 C ATOM 622 NH1 ARG A 37 1.733 -21.298 21.899 1.00 0.00 N ATOM 623 NH2 ARG A 37 1.932 -22.394 23.924 1.00 0.00 N ATOM 0 H ARG A 37 6.842 -24.960 19.534 1.00 0.00 H new ATOM 0 HA ARG A 37 6.972 -22.794 21.442 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.239 -25.274 21.213 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.052 -24.063 22.466 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.708 -22.312 20.674 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.809 -23.570 19.458 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.447 -22.967 20.004 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.788 -24.658 20.314 1.00 0.00 H new ATOM 0 HE ARG A 37 2.659 -24.297 22.636 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.854 -21.293 20.886 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.354 -20.477 22.372 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.203 -23.222 24.455 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.554 -21.579 24.408 1.00 0.00 H new ATOM 637 N ASP A 38 7.854 -23.933 23.572 1.00 0.00 N ATOM 638 CA ASP A 38 8.576 -24.519 24.705 1.00 0.00 C ATOM 639 C ASP A 38 7.850 -25.746 25.263 1.00 0.00 C ATOM 640 O ASP A 38 8.486 -26.686 25.739 1.00 0.00 O ATOM 641 CB ASP A 38 8.762 -23.471 25.808 1.00 0.00 C ATOM 642 CG ASP A 38 9.473 -24.068 27.035 1.00 0.00 C ATOM 643 OD1 ASP A 38 10.699 -24.311 26.969 1.00 0.00 O ATOM 644 OD2 ASP A 38 8.819 -24.260 28.084 1.00 0.00 O ATOM 0 H ASP A 38 7.505 -22.990 23.746 1.00 0.00 H new ATOM 0 HA ASP A 38 9.552 -24.845 24.346 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.342 -22.633 25.422 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.790 -23.076 26.105 1.00 0.00 H new ATOM 649 N ASP A 39 6.519 -25.765 25.149 1.00 0.00 N ATOM 650 CA ASP A 39 5.670 -26.897 25.522 1.00 0.00 C ATOM 651 C ASP A 39 5.836 -28.120 24.600 1.00 0.00 C ATOM 652 O ASP A 39 5.281 -29.182 24.898 1.00 0.00 O ATOM 653 CB ASP A 39 4.197 -26.471 25.646 1.00 0.00 C ATOM 654 CG ASP A 39 3.520 -26.054 24.338 1.00 0.00 C ATOM 655 OD1 ASP A 39 3.634 -26.740 23.302 1.00 0.00 O ATOM 656 OD2 ASP A 39 2.811 -25.021 24.347 1.00 0.00 O ATOM 0 H ASP A 39 5.990 -24.973 24.785 1.00 0.00 H new ATOM 0 HA ASP A 39 6.013 -27.223 26.504 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.633 -27.297 26.080 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.135 -25.640 26.348 1.00 0.00 H new ATOM 661 N GLY A 40 6.619 -28.010 23.519 1.00 0.00 N ATOM 662 CA GLY A 40 7.011 -29.131 22.668 1.00 0.00 C ATOM 663 C GLY A 40 6.266 -29.166 21.333 1.00 0.00 C ATOM 664 O GLY A 40 6.679 -29.893 20.427 1.00 0.00 O ATOM 0 H GLY A 40 7.004 -27.118 23.209 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.083 -29.076 22.477 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.830 -30.064 23.202 1.00 0.00 H new ATOM 668 N ARG A 41 5.186 -28.394 21.180 1.00 0.00 N ATOM 669 CA ARG A 41 4.469 -28.271 19.917 1.00 0.00 C ATOM 670 C ARG A 41 5.271 -27.433 18.925 1.00 0.00 C ATOM 671 O ARG A 41 6.262 -26.790 19.279 1.00 0.00 O ATOM 672 CB ARG A 41 3.080 -27.671 20.189 1.00 0.00 C ATOM 673 CG ARG A 41 2.190 -28.682 20.931 1.00 0.00 C ATOM 674 CD ARG A 41 0.825 -28.096 21.294 1.00 0.00 C ATOM 675 NE ARG A 41 0.941 -27.045 22.318 1.00 0.00 N ATOM 676 CZ ARG A 41 -0.081 -26.354 22.839 1.00 0.00 C ATOM 677 NH1 ARG A 41 -1.329 -26.562 22.422 1.00 0.00 N ATOM 678 NH2 ARG A 41 0.154 -25.454 23.785 1.00 0.00 N ATOM 0 H ARG A 41 4.786 -27.836 21.935 1.00 0.00 H new ATOM 0 HA ARG A 41 4.338 -29.254 19.465 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.180 -26.762 20.782 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.610 -27.387 19.248 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.050 -29.565 20.308 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.696 -29.010 21.839 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.356 -27.684 20.400 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.173 -28.890 21.659 1.00 0.00 H new ATOM 0 HE ARG A 41 1.877 -26.825 22.659 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.516 -27.255 21.697 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.098 -26.028 22.828 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.107 -25.293 24.110 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.619 -24.923 24.187 1.00 0.00 H new ATOM 692 N VAL A 42 4.824 -27.397 17.680 1.00 0.00 N ATOM 693 CA VAL A 42 5.243 -26.393 16.707 1.00 0.00 C ATOM 694 C VAL A 42 4.071 -25.430 16.564 1.00 0.00 C ATOM 695 O VAL A 42 2.911 -25.828 16.710 1.00 0.00 O ATOM 696 CB VAL A 42 5.648 -27.064 15.377 1.00 0.00 C ATOM 697 CG1 VAL A 42 5.981 -26.063 14.259 1.00 0.00 C ATOM 698 CG2 VAL A 42 6.876 -27.952 15.595 1.00 0.00 C ATOM 0 H VAL A 42 4.153 -28.070 17.310 1.00 0.00 H new ATOM 0 HA VAL A 42 6.129 -25.846 17.029 1.00 0.00 H new ATOM 0 HB VAL A 42 4.781 -27.644 15.060 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.257 -26.606 13.355 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.110 -25.440 14.057 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.813 -25.432 14.571 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.157 -28.423 14.653 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.705 -27.344 15.958 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.642 -28.722 16.330 1.00 0.00 H new ATOM 708 N GLU A 43 4.378 -24.173 16.260 1.00 0.00 N ATOM 709 CA GLU A 43 3.409 -23.132 15.982 1.00 0.00 C ATOM 710 C GLU A 43 3.865 -22.423 14.717 1.00 0.00 C ATOM 711 O GLU A 43 5.061 -22.204 14.508 1.00 0.00 O ATOM 712 CB GLU A 43 3.329 -22.199 17.194 1.00 0.00 C ATOM 713 CG GLU A 43 2.489 -20.935 16.980 1.00 0.00 C ATOM 714 CD GLU A 43 2.294 -20.182 18.305 1.00 0.00 C ATOM 715 OE1 GLU A 43 1.541 -20.685 19.172 1.00 0.00 O ATOM 716 OE2 GLU A 43 2.859 -19.079 18.470 1.00 0.00 O ATOM 0 H GLU A 43 5.342 -23.845 16.200 1.00 0.00 H new ATOM 0 HA GLU A 43 2.405 -23.523 15.817 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.915 -22.755 18.035 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.340 -21.903 17.474 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.979 -20.285 16.255 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.519 -21.204 16.562 1.00 0.00 H new ATOM 723 N ILE A 44 2.905 -22.084 13.866 1.00 0.00 N ATOM 724 CA ILE A 44 3.122 -21.491 12.566 1.00 0.00 C ATOM 725 C ILE A 44 2.034 -20.430 12.418 1.00 0.00 C ATOM 726 O ILE A 44 0.906 -20.630 12.879 1.00 0.00 O ATOM 727 CB ILE A 44 2.998 -22.556 11.446 1.00 0.00 C ATOM 728 CG1 ILE A 44 3.511 -23.968 11.831 1.00 0.00 C ATOM 729 CG2 ILE A 44 3.709 -22.052 10.181 1.00 0.00 C ATOM 730 CD1 ILE A 44 3.397 -25.031 10.733 1.00 0.00 C ATOM 0 H ILE A 44 1.917 -22.223 14.077 1.00 0.00 H new ATOM 0 HA ILE A 44 4.121 -21.064 12.481 1.00 0.00 H new ATOM 0 HB ILE A 44 1.931 -22.684 11.266 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.557 -23.888 12.128 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.957 -24.312 12.705 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.623 -22.800 9.393 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.248 -21.121 9.851 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.762 -21.877 10.401 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.783 -25.980 11.104 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.351 -25.150 10.449 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.976 -24.720 9.864 1.00 0.00 H new ATOM 742 N LEU A 45 2.341 -19.339 11.730 1.00 0.00 N ATOM 743 CA LEU A 45 1.364 -18.361 11.283 1.00 0.00 C ATOM 744 C LEU A 45 1.792 -18.023 9.866 1.00 0.00 C ATOM 745 O LEU A 45 2.948 -17.660 9.662 1.00 0.00 O ATOM 746 CB LEU A 45 1.357 -17.160 12.247 1.00 0.00 C ATOM 747 CG LEU A 45 0.179 -16.188 12.031 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.053 -15.266 13.249 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.341 -15.315 10.778 1.00 0.00 C ATOM 0 H LEU A 45 3.297 -19.106 11.462 1.00 0.00 H new ATOM 0 HA LEU A 45 0.334 -18.718 11.283 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.326 -17.530 13.272 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.292 -16.612 12.134 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.713 -16.800 11.896 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.779 -14.578 13.100 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.127 -15.865 14.142 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.976 -14.699 13.373 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.520 -14.653 10.682 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.249 -14.719 10.865 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.409 -15.953 9.897 1.00 0.00 H new ATOM 761 N ALA A 46 0.909 -18.209 8.888 1.00 0.00 N ATOM 762 CA ALA A 46 1.239 -18.112 7.473 1.00 0.00 C ATOM 763 C ALA A 46 0.147 -17.339 6.745 1.00 0.00 C ATOM 764 O ALA A 46 -1.005 -17.328 7.176 1.00 0.00 O ATOM 765 CB ALA A 46 1.407 -19.515 6.882 1.00 0.00 C ATOM 0 H ALA A 46 -0.070 -18.435 9.062 1.00 0.00 H new ATOM 0 HA ALA A 46 2.180 -17.576 7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.654 -19.437 5.823 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.210 -20.036 7.404 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.477 -20.072 6.998 1.00 0.00 H new ATOM 771 N GLU A 47 0.508 -16.700 5.637 1.00 0.00 N ATOM 772 CA GLU A 47 -0.334 -15.778 4.898 1.00 0.00 C ATOM 773 C GLU A 47 -0.111 -16.022 3.409 1.00 0.00 C ATOM 774 O GLU A 47 1.031 -16.199 2.969 1.00 0.00 O ATOM 775 CB GLU A 47 0.003 -14.325 5.287 1.00 0.00 C ATOM 776 CG GLU A 47 -0.334 -14.061 6.766 1.00 0.00 C ATOM 777 CD GLU A 47 -0.262 -12.596 7.198 1.00 0.00 C ATOM 778 OE1 GLU A 47 0.167 -11.717 6.420 1.00 0.00 O ATOM 779 OE2 GLU A 47 -0.686 -12.290 8.337 1.00 0.00 O ATOM 0 H GLU A 47 1.430 -16.817 5.217 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.385 -15.942 5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.061 -14.133 5.111 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.556 -13.636 4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.339 -14.433 6.965 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.349 -14.640 7.387 1.00 0.00 H new ATOM 786 N GLY A 48 -1.203 -16.061 2.642 1.00 0.00 N ATOM 787 CA GLY A 48 -1.186 -16.413 1.226 1.00 0.00 C ATOM 788 C GLY A 48 -2.586 -16.773 0.733 1.00 0.00 C ATOM 789 O GLY A 48 -3.554 -16.548 1.462 1.00 0.00 O ATOM 0 H GLY A 48 -2.135 -15.845 2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.796 -15.577 0.645 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.513 -17.255 1.065 1.00 0.00 H new ATOM 793 N PRO A 49 -2.734 -17.289 -0.498 1.00 0.00 N ATOM 794 CA PRO A 49 -4.016 -17.779 -0.987 1.00 0.00 C ATOM 795 C PRO A 49 -4.398 -19.085 -0.280 1.00 0.00 C ATOM 796 O PRO A 49 -3.535 -19.871 0.125 1.00 0.00 O ATOM 797 CB PRO A 49 -3.830 -17.956 -2.496 1.00 0.00 C ATOM 798 CG PRO A 49 -2.337 -18.238 -2.650 1.00 0.00 C ATOM 799 CD PRO A 49 -1.692 -17.463 -1.499 1.00 0.00 C ATOM 0 HA PRO A 49 -4.836 -17.091 -0.781 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.434 -18.778 -2.879 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.126 -17.061 -3.043 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.123 -19.305 -2.582 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.965 -17.900 -3.617 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.844 -18.010 -1.088 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.315 -16.499 -1.841 1.00 0.00 H new ATOM 807 N GLU A 50 -5.703 -19.338 -0.164 1.00 0.00 N ATOM 808 CA GLU A 50 -6.248 -20.454 0.606 1.00 0.00 C ATOM 809 C GLU A 50 -5.712 -21.798 0.104 1.00 0.00 C ATOM 810 O GLU A 50 -5.360 -22.650 0.916 1.00 0.00 O ATOM 811 CB GLU A 50 -7.784 -20.400 0.550 1.00 0.00 C ATOM 812 CG GLU A 50 -8.450 -21.453 1.450 1.00 0.00 C ATOM 813 CD GLU A 50 -9.984 -21.376 1.362 1.00 0.00 C ATOM 814 OE1 GLU A 50 -10.579 -22.013 0.463 1.00 0.00 O ATOM 815 OE2 GLU A 50 -10.619 -20.692 2.198 1.00 0.00 O ATOM 0 H GLU A 50 -6.420 -18.765 -0.609 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.927 -20.362 1.644 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.119 -19.407 0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.111 -20.549 -0.479 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.117 -22.448 1.156 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.135 -21.303 2.483 1.00 0.00 H new ATOM 822 N ASN A 51 -5.598 -21.995 -1.214 1.00 0.00 N ATOM 823 CA ASN A 51 -5.125 -23.268 -1.765 1.00 0.00 C ATOM 824 C ASN A 51 -3.678 -23.555 -1.366 1.00 0.00 C ATOM 825 O ASN A 51 -3.333 -24.692 -1.032 1.00 0.00 O ATOM 826 CB ASN A 51 -5.253 -23.276 -3.294 1.00 0.00 C ATOM 827 CG ASN A 51 -4.740 -24.595 -3.870 1.00 0.00 C ATOM 828 OD1 ASN A 51 -5.318 -25.652 -3.635 1.00 0.00 O ATOM 829 ND2 ASN A 51 -3.656 -24.571 -4.627 1.00 0.00 N ATOM 0 H ASN A 51 -5.826 -21.291 -1.916 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.754 -24.054 -1.347 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.295 -23.130 -3.578 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.688 -22.445 -3.716 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.291 -25.437 -5.023 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.185 -23.686 -4.815 1.00 0.00 H new ATOM 836 N ALA A 52 -2.832 -22.522 -1.373 1.00 0.00 N ATOM 837 CA ALA A 52 -1.442 -22.644 -0.956 1.00 0.00 C ATOM 838 C ALA A 52 -1.370 -22.932 0.542 1.00 0.00 C ATOM 839 O ALA A 52 -0.581 -23.774 0.964 1.00 0.00 O ATOM 840 CB ALA A 52 -0.668 -21.369 -1.301 1.00 0.00 C ATOM 0 H ALA A 52 -3.095 -21.582 -1.668 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.983 -23.475 -1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.369 -21.476 -0.983 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.702 -21.203 -2.378 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.119 -20.520 -0.788 1.00 0.00 H new ATOM 846 N LEU A 53 -2.206 -22.268 1.346 1.00 0.00 N ATOM 847 CA LEU A 53 -2.265 -22.492 2.783 1.00 0.00 C ATOM 848 C LEU A 53 -2.754 -23.910 3.101 1.00 0.00 C ATOM 849 O LEU A 53 -2.215 -24.549 4.000 1.00 0.00 O ATOM 850 CB LEU A 53 -3.174 -21.436 3.432 1.00 0.00 C ATOM 851 CG LEU A 53 -2.583 -20.012 3.449 1.00 0.00 C ATOM 852 CD1 LEU A 53 -3.662 -19.010 3.865 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.399 -19.884 4.415 1.00 0.00 C ATOM 0 H LEU A 53 -2.860 -21.560 1.012 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.261 -22.395 3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.125 -21.416 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.389 -21.739 4.457 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.225 -19.802 2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.240 -18.005 3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.488 -19.049 3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.027 -19.261 4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.018 -18.863 4.391 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.727 -20.125 5.426 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.609 -20.573 4.116 1.00 0.00 H new ATOM 865 N GLN A 54 -3.733 -24.440 2.363 1.00 0.00 N ATOM 866 CA GLN A 54 -4.238 -25.791 2.566 1.00 0.00 C ATOM 867 C GLN A 54 -3.168 -26.827 2.217 1.00 0.00 C ATOM 868 O GLN A 54 -2.894 -27.721 3.015 1.00 0.00 O ATOM 869 CB GLN A 54 -5.501 -26.004 1.715 1.00 0.00 C ATOM 870 CG GLN A 54 -6.747 -25.304 2.279 1.00 0.00 C ATOM 871 CD GLN A 54 -7.404 -26.094 3.419 1.00 0.00 C ATOM 872 OE1 GLN A 54 -6.765 -26.518 4.378 1.00 0.00 O ATOM 873 NE2 GLN A 54 -8.701 -26.348 3.324 1.00 0.00 N ATOM 0 H GLN A 54 -4.196 -23.938 1.606 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.495 -25.919 3.618 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.315 -25.638 0.705 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.700 -27.073 1.635 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.470 -24.314 2.641 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.472 -25.159 1.478 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.233 -25.996 2.528 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.168 -26.895 4.047 1.00 0.00 H new ATOM 882 N SER A 55 -2.528 -26.706 1.052 1.00 0.00 N ATOM 883 CA SER A 55 -1.473 -27.643 0.667 1.00 0.00 C ATOM 884 C SER A 55 -0.270 -27.542 1.619 1.00 0.00 C ATOM 885 O SER A 55 0.373 -28.550 1.924 1.00 0.00 O ATOM 886 CB SER A 55 -1.094 -27.448 -0.807 1.00 0.00 C ATOM 887 OG SER A 55 -0.988 -26.081 -1.175 1.00 0.00 O ATOM 0 H SER A 55 -2.720 -25.976 0.366 1.00 0.00 H new ATOM 0 HA SER A 55 -1.850 -28.661 0.763 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.144 -27.946 -1.001 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.842 -27.931 -1.436 1.00 0.00 H new ATOM 0 HG SER A 55 -1.884 -25.689 -1.239 1.00 0.00 H new ATOM 893 N PHE A 56 -0.002 -26.352 2.158 1.00 0.00 N ATOM 894 CA PHE A 56 0.991 -26.148 3.196 1.00 0.00 C ATOM 895 C PHE A 56 0.601 -26.892 4.476 1.00 0.00 C ATOM 896 O PHE A 56 1.462 -27.559 5.041 1.00 0.00 O ATOM 897 CB PHE A 56 1.166 -24.649 3.425 1.00 0.00 C ATOM 898 CG PHE A 56 2.107 -24.239 4.535 1.00 0.00 C ATOM 899 CD1 PHE A 56 3.490 -24.471 4.414 1.00 0.00 C ATOM 900 CD2 PHE A 56 1.608 -23.526 5.643 1.00 0.00 C ATOM 901 CE1 PHE A 56 4.370 -23.968 5.385 1.00 0.00 C ATOM 902 CE2 PHE A 56 2.492 -23.012 6.603 1.00 0.00 C ATOM 903 CZ PHE A 56 3.874 -23.218 6.465 1.00 0.00 C ATOM 0 H PHE A 56 -0.479 -25.495 1.877 1.00 0.00 H new ATOM 0 HA PHE A 56 1.949 -26.561 2.881 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.519 -24.201 2.496 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.186 -24.219 3.633 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.873 -25.035 3.576 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.544 -23.375 5.753 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.430 -24.158 5.302 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.110 -22.458 7.448 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.557 -22.800 7.190 1.00 0.00 H new ATOM 913 N VAL A 57 -0.667 -26.869 4.911 1.00 0.00 N ATOM 914 CA VAL A 57 -1.108 -27.697 6.036 1.00 0.00 C ATOM 915 C VAL A 57 -0.816 -29.164 5.722 1.00 0.00 C ATOM 916 O VAL A 57 -0.253 -29.849 6.574 1.00 0.00 O ATOM 917 CB VAL A 57 -2.595 -27.473 6.395 1.00 0.00 C ATOM 918 CG1 VAL A 57 -3.121 -28.516 7.402 1.00 0.00 C ATOM 919 CG2 VAL A 57 -2.814 -26.089 7.020 1.00 0.00 C ATOM 0 H VAL A 57 -1.399 -26.289 4.502 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.547 -27.399 6.922 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.138 -27.565 5.454 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.170 -28.314 7.621 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.025 -29.514 6.975 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.541 -28.458 8.323 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.869 -25.962 7.261 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.221 -26.003 7.930 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.508 -25.318 6.313 1.00 0.00 H new ATOM 929 N GLU A 58 -1.152 -29.647 4.521 1.00 0.00 N ATOM 930 CA GLU A 58 -0.939 -31.047 4.160 1.00 0.00 C ATOM 931 C GLU A 58 0.548 -31.418 4.250 1.00 0.00 C ATOM 932 O GLU A 58 0.890 -32.508 4.710 1.00 0.00 O ATOM 933 CB GLU A 58 -1.513 -31.357 2.767 1.00 0.00 C ATOM 934 CG GLU A 58 -3.044 -31.252 2.687 1.00 0.00 C ATOM 935 CD GLU A 58 -3.758 -32.331 3.521 1.00 0.00 C ATOM 936 OE1 GLU A 58 -3.901 -33.478 3.039 1.00 0.00 O ATOM 937 OE2 GLU A 58 -4.196 -32.038 4.656 1.00 0.00 O ATOM 0 H GLU A 58 -1.574 -29.084 3.782 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.478 -31.664 4.879 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.073 -30.671 2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.212 -32.364 2.477 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.355 -30.266 3.033 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.356 -31.338 1.646 1.00 0.00 H new ATOM 944 N ALA A 59 1.440 -30.498 3.878 1.00 0.00 N ATOM 945 CA ALA A 59 2.873 -30.678 4.058 1.00 0.00 C ATOM 946 C ALA A 59 3.257 -30.690 5.544 1.00 0.00 C ATOM 947 O ALA A 59 4.040 -31.538 5.972 1.00 0.00 O ATOM 948 CB ALA A 59 3.638 -29.587 3.308 1.00 0.00 C ATOM 0 H ALA A 59 1.185 -29.610 3.445 1.00 0.00 H new ATOM 0 HA ALA A 59 3.147 -31.648 3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.709 -29.731 3.449 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.402 -29.642 2.245 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.349 -28.609 3.694 1.00 0.00 H new ATOM 954 N VAL A 60 2.703 -29.785 6.352 1.00 0.00 N ATOM 955 CA VAL A 60 3.005 -29.682 7.774 1.00 0.00 C ATOM 956 C VAL A 60 2.599 -30.975 8.491 1.00 0.00 C ATOM 957 O VAL A 60 3.389 -31.479 9.287 1.00 0.00 O ATOM 958 CB VAL A 60 2.337 -28.417 8.358 1.00 0.00 C ATOM 959 CG1 VAL A 60 2.391 -28.378 9.890 1.00 0.00 C ATOM 960 CG2 VAL A 60 3.025 -27.139 7.849 1.00 0.00 C ATOM 0 H VAL A 60 2.024 -29.096 6.030 1.00 0.00 H new ATOM 0 HA VAL A 60 4.078 -29.569 7.928 1.00 0.00 H new ATOM 0 HB VAL A 60 1.299 -28.460 8.029 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.908 -27.469 10.248 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.873 -29.248 10.295 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.430 -28.390 10.218 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.533 -26.266 8.277 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.074 -27.147 8.147 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.957 -27.097 6.762 1.00 0.00 H new ATOM 970 N LYS A 61 1.423 -31.555 8.206 1.00 0.00 N ATOM 971 CA LYS A 61 1.042 -32.822 8.837 1.00 0.00 C ATOM 972 C LYS A 61 1.898 -33.998 8.357 1.00 0.00 C ATOM 973 O LYS A 61 1.975 -34.995 9.075 1.00 0.00 O ATOM 974 CB LYS A 61 -0.468 -33.127 8.766 1.00 0.00 C ATOM 975 CG LYS A 61 -1.090 -33.028 7.371 1.00 0.00 C ATOM 976 CD LYS A 61 -2.462 -33.695 7.222 1.00 0.00 C ATOM 977 CE LYS A 61 -3.571 -32.873 7.898 1.00 0.00 C ATOM 978 NZ LYS A 61 -4.860 -32.998 7.177 1.00 0.00 N ATOM 0 H LYS A 61 0.734 -31.175 7.557 1.00 0.00 H new ATOM 0 HA LYS A 61 1.257 -32.686 9.897 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.637 -34.133 9.151 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.992 -32.439 9.429 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.185 -31.975 7.106 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.405 -33.477 6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.694 -33.818 6.164 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.431 -34.693 7.659 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.696 -33.207 8.928 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.275 -31.825 7.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.604 -32.500 7.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.770 -32.579 6.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.112 -34.003 7.088 1.00 0.00 H new ATOM 992 N ASN A 62 2.563 -33.916 7.196 1.00 0.00 N ATOM 993 CA ASN A 62 3.585 -34.897 6.837 1.00 0.00 C ATOM 994 C ASN A 62 4.812 -34.730 7.739 1.00 0.00 C ATOM 995 O ASN A 62 5.362 -35.715 8.231 1.00 0.00 O ATOM 996 CB ASN A 62 3.999 -34.782 5.363 1.00 0.00 C ATOM 997 CG ASN A 62 4.910 -35.941 4.965 1.00 0.00 C ATOM 998 OD1 ASN A 62 4.436 -36.986 4.528 1.00 0.00 O ATOM 999 ND2 ASN A 62 6.220 -35.802 5.094 1.00 0.00 N ATOM 0 H ASN A 62 2.411 -33.187 6.499 1.00 0.00 H new ATOM 0 HA ASN A 62 3.155 -35.888 6.983 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.111 -34.777 4.730 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.514 -33.835 5.198 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.842 -36.566 4.830 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.607 -34.931 5.458 1.00 0.00 H new ATOM 1006 N GLY A 63 5.216 -33.479 7.968 1.00 0.00 N ATOM 1007 CA GLY A 63 6.438 -33.130 8.678 1.00 0.00 C ATOM 1008 C GLY A 63 7.674 -33.425 7.825 1.00 0.00 C ATOM 1009 O GLY A 63 7.559 -33.844 6.666 1.00 0.00 O ATOM 0 H GLY A 63 4.687 -32.665 7.656 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.419 -32.073 8.943 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.493 -33.691 9.611 1.00 0.00 H new ATOM 1013 N SER A 64 8.860 -33.190 8.393 1.00 0.00 N ATOM 1014 CA SER A 64 10.128 -33.495 7.739 1.00 0.00 C ATOM 1015 C SER A 64 10.261 -35.008 7.480 1.00 0.00 C ATOM 1016 O SER A 64 9.533 -35.803 8.087 1.00 0.00 O ATOM 1017 CB SER A 64 11.286 -32.969 8.603 1.00 0.00 C ATOM 1018 OG SER A 64 11.497 -33.783 9.745 1.00 0.00 O ATOM 0 H SER A 64 8.964 -32.782 9.322 1.00 0.00 H new ATOM 0 HA SER A 64 10.162 -32.999 6.769 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.198 -32.933 8.007 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.071 -31.948 8.918 1.00 0.00 H new ATOM 0 HG SER A 64 12.381 -33.594 10.123 1.00 0.00 H new ATOM 1024 N PRO A 65 11.251 -35.442 6.676 1.00 0.00 N ATOM 1025 CA PRO A 65 11.637 -36.847 6.549 1.00 0.00 C ATOM 1026 C PRO A 65 11.944 -37.567 7.876 1.00 0.00 C ATOM 1027 O PRO A 65 12.014 -38.797 7.883 1.00 0.00 O ATOM 1028 CB PRO A 65 12.870 -36.854 5.637 1.00 0.00 C ATOM 1029 CG PRO A 65 12.710 -35.585 4.805 1.00 0.00 C ATOM 1030 CD PRO A 65 12.068 -34.618 5.796 1.00 0.00 C ATOM 0 HA PRO A 65 10.792 -37.405 6.145 1.00 0.00 H new ATOM 0 HB2 PRO A 65 13.795 -36.841 6.214 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.899 -37.744 5.009 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.668 -35.215 4.441 1.00 0.00 H new ATOM 0 HG3 PRO A 65 12.079 -35.749 3.932 1.00 0.00 H new ATOM 0 HD2 PRO A 65 12.826 -34.075 6.360 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.461 -33.874 5.280 1.00 0.00 H new ATOM 1038 N PHE A 66 12.128 -36.836 8.985 1.00 0.00 N ATOM 1039 CA PHE A 66 12.497 -37.386 10.288 1.00 0.00 C ATOM 1040 C PHE A 66 11.399 -37.161 11.336 1.00 0.00 C ATOM 1041 O PHE A 66 11.488 -37.707 12.437 1.00 0.00 O ATOM 1042 CB PHE A 66 13.825 -36.756 10.740 1.00 0.00 C ATOM 1043 CG PHE A 66 14.929 -36.810 9.697 1.00 0.00 C ATOM 1044 CD1 PHE A 66 15.623 -38.013 9.461 1.00 0.00 C ATOM 1045 CD2 PHE A 66 15.238 -35.665 8.935 1.00 0.00 C ATOM 1046 CE1 PHE A 66 16.618 -38.069 8.469 1.00 0.00 C ATOM 1047 CE2 PHE A 66 16.232 -35.724 7.943 1.00 0.00 C ATOM 1048 CZ PHE A 66 16.923 -36.926 7.710 1.00 0.00 C ATOM 0 H PHE A 66 12.021 -35.822 8.996 1.00 0.00 H new ATOM 0 HA PHE A 66 12.618 -38.465 10.189 1.00 0.00 H new ATOM 0 HB2 PHE A 66 13.647 -35.715 11.010 1.00 0.00 H new ATOM 0 HB3 PHE A 66 14.167 -37.265 11.641 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.391 -38.893 10.042 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.710 -34.740 9.114 1.00 0.00 H new ATOM 0 HE1 PHE A 66 17.149 -38.992 8.290 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.465 -34.846 7.359 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.687 -36.971 6.948 1.00 0.00 H new ATOM 1058 N SER A 67 10.365 -36.378 11.020 1.00 0.00 N ATOM 1059 CA SER A 67 9.252 -36.107 11.913 1.00 0.00 C ATOM 1060 C SER A 67 8.346 -37.332 12.054 1.00 0.00 C ATOM 1061 O SER A 67 8.343 -38.232 11.209 1.00 0.00 O ATOM 1062 CB SER A 67 8.434 -34.949 11.340 1.00 0.00 C ATOM 1063 OG SER A 67 9.214 -33.778 11.224 1.00 0.00 O ATOM 0 H SER A 67 10.283 -35.909 10.118 1.00 0.00 H new ATOM 0 HA SER A 67 9.648 -35.855 12.897 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.043 -35.227 10.361 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.575 -34.754 11.983 1.00 0.00 H new ATOM 0 HG SER A 67 9.969 -33.946 10.622 1.00 0.00 H new ATOM 1069 N LYS A 68 7.495 -37.302 13.080 1.00 0.00 N ATOM 1070 CA LYS A 68 6.270 -38.088 13.154 1.00 0.00 C ATOM 1071 C LYS A 68 5.233 -37.237 13.878 1.00 0.00 C ATOM 1072 O LYS A 68 5.199 -37.200 15.107 1.00 0.00 O ATOM 1073 CB LYS A 68 6.519 -39.453 13.827 1.00 0.00 C ATOM 1074 CG LYS A 68 5.247 -40.309 13.993 1.00 0.00 C ATOM 1075 CD LYS A 68 4.486 -40.549 12.674 1.00 0.00 C ATOM 1076 CE LYS A 68 3.232 -41.421 12.842 1.00 0.00 C ATOM 1077 NZ LYS A 68 2.205 -40.792 13.711 1.00 0.00 N ATOM 0 H LYS A 68 7.645 -36.715 13.901 1.00 0.00 H new ATOM 0 HA LYS A 68 5.898 -38.334 12.159 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.246 -40.011 13.237 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.964 -39.288 14.808 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.521 -41.272 14.424 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.580 -39.820 14.703 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.196 -39.587 12.250 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.156 -41.024 11.958 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.799 -41.620 11.861 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.519 -42.384 13.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.258 -41.079 13.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.347 -41.099 14.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.290 -39.757 13.656 1.00 0.00 H new ATOM 1091 N VAL A 69 4.425 -36.509 13.112 1.00 0.00 N ATOM 1092 CA VAL A 69 3.268 -35.787 13.629 1.00 0.00 C ATOM 1093 C VAL A 69 2.301 -36.808 14.247 1.00 0.00 C ATOM 1094 O VAL A 69 2.163 -37.927 13.737 1.00 0.00 O ATOM 1095 CB VAL A 69 2.632 -34.978 12.475 1.00 0.00 C ATOM 1096 CG1 VAL A 69 1.347 -34.246 12.891 1.00 0.00 C ATOM 1097 CG2 VAL A 69 3.624 -33.939 11.922 1.00 0.00 C ATOM 0 H VAL A 69 4.557 -36.403 12.106 1.00 0.00 H new ATOM 0 HA VAL A 69 3.544 -35.077 14.408 1.00 0.00 H new ATOM 0 HB VAL A 69 2.376 -35.710 11.709 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.949 -33.697 12.038 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.609 -34.972 13.232 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.570 -33.549 13.699 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.154 -33.382 11.111 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.910 -33.250 12.717 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.512 -34.448 11.546 1.00 0.00 H new ATOM 1107 N THR A 70 1.610 -36.419 15.316 1.00 0.00 N ATOM 1108 CA THR A 70 0.549 -37.196 15.945 1.00 0.00 C ATOM 1109 C THR A 70 -0.768 -36.408 15.974 1.00 0.00 C ATOM 1110 O THR A 70 -1.838 -37.021 16.012 1.00 0.00 O ATOM 1111 CB THR A 70 0.987 -37.627 17.357 1.00 0.00 C ATOM 1112 OG1 THR A 70 1.308 -36.493 18.136 1.00 0.00 O ATOM 1113 CG2 THR A 70 2.218 -38.540 17.318 1.00 0.00 C ATOM 0 H THR A 70 1.779 -35.527 15.781 1.00 0.00 H new ATOM 0 HA THR A 70 0.368 -38.094 15.354 1.00 0.00 H new ATOM 0 HB THR A 70 0.151 -38.173 17.795 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.584 -36.779 19.032 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.495 -38.821 18.334 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.988 -39.437 16.743 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.048 -38.012 16.849 1.00 0.00 H new ATOM 1121 N ASP A 71 -0.721 -35.071 15.902 1.00 0.00 N ATOM 1122 CA ASP A 71 -1.900 -34.206 15.877 1.00 0.00 C ATOM 1123 C ASP A 71 -1.548 -32.866 15.231 1.00 0.00 C ATOM 1124 O ASP A 71 -0.388 -32.444 15.255 1.00 0.00 O ATOM 1125 CB ASP A 71 -2.411 -33.977 17.309 1.00 0.00 C ATOM 1126 CG ASP A 71 -3.683 -33.115 17.339 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -4.623 -33.395 16.562 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.755 -32.172 18.158 1.00 0.00 O ATOM 0 H ASP A 71 0.157 -34.554 15.859 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.683 -34.689 15.292 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.615 -34.939 17.779 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.632 -33.493 17.898 1.00 0.00 H new ATOM 1133 N ILE A 72 -2.546 -32.191 14.663 1.00 0.00 N ATOM 1134 CA ILE A 72 -2.425 -30.887 14.028 1.00 0.00 C ATOM 1135 C ILE A 72 -3.762 -30.153 14.208 1.00 0.00 C ATOM 1136 O ILE A 72 -4.820 -30.790 14.243 1.00 0.00 O ATOM 1137 CB ILE A 72 -2.000 -31.058 12.543 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -1.698 -29.688 11.893 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -3.025 -31.870 11.722 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -1.029 -29.785 10.518 1.00 0.00 C ATOM 0 H ILE A 72 -3.498 -32.556 14.633 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.645 -30.281 14.489 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.079 -31.641 12.539 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.630 -29.131 11.794 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.054 -29.115 12.560 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.678 -31.959 10.692 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.133 -32.864 12.156 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.989 -31.361 11.738 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.850 -28.783 10.129 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.080 -30.313 10.612 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.681 -30.329 9.834 1.00 0.00 H new ATOM 1152 N SER A 73 -3.721 -28.824 14.291 1.00 0.00 N ATOM 1153 CA SER A 73 -4.886 -27.955 14.405 1.00 0.00 C ATOM 1154 C SER A 73 -4.635 -26.696 13.575 1.00 0.00 C ATOM 1155 O SER A 73 -3.480 -26.299 13.390 1.00 0.00 O ATOM 1156 CB SER A 73 -5.122 -27.583 15.879 1.00 0.00 C ATOM 1157 OG SER A 73 -5.196 -28.726 16.720 1.00 0.00 O ATOM 0 H SER A 73 -2.842 -28.306 14.280 1.00 0.00 H new ATOM 0 HA SER A 73 -5.773 -28.469 14.036 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.315 -26.935 16.221 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.047 -27.012 15.964 1.00 0.00 H new ATOM 0 HG SER A 73 -5.345 -28.442 17.646 1.00 0.00 H new ATOM 1163 N VAL A 74 -5.705 -26.061 13.091 1.00 0.00 N ATOM 1164 CA VAL A 74 -5.653 -24.876 12.240 1.00 0.00 C ATOM 1165 C VAL A 74 -6.727 -23.899 12.731 1.00 0.00 C ATOM 1166 O VAL A 74 -7.814 -24.315 13.145 1.00 0.00 O ATOM 1167 CB VAL A 74 -5.873 -25.267 10.756 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -5.723 -24.067 9.805 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -4.904 -26.365 10.286 1.00 0.00 C ATOM 0 H VAL A 74 -6.658 -26.368 13.288 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.674 -24.401 12.300 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.896 -25.641 10.717 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.887 -24.394 8.778 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.457 -23.304 10.064 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.719 -23.652 9.898 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.101 -26.601 9.240 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.878 -26.014 10.391 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.046 -27.259 10.893 1.00 0.00 H new ATOM 1179 N THR A 75 -6.429 -22.605 12.641 1.00 0.00 N ATOM 1180 CA THR A 75 -7.371 -21.498 12.782 1.00 0.00 C ATOM 1181 C THR A 75 -7.039 -20.523 11.642 1.00 0.00 C ATOM 1182 O THR A 75 -5.936 -20.583 11.089 1.00 0.00 O ATOM 1183 CB THR A 75 -7.221 -20.842 14.174 1.00 0.00 C ATOM 1184 OG1 THR A 75 -7.025 -21.805 15.198 1.00 0.00 O ATOM 1185 CG2 THR A 75 -8.444 -20.005 14.568 1.00 0.00 C ATOM 0 H THR A 75 -5.478 -22.285 12.459 1.00 0.00 H new ATOM 0 HA THR A 75 -8.409 -21.824 12.715 1.00 0.00 H new ATOM 0 HB THR A 75 -6.346 -20.198 14.084 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.933 -21.350 16.061 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.284 -19.568 15.554 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.591 -19.209 13.838 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.328 -20.642 14.593 1.00 0.00 H new ATOM 1193 N GLU A 76 -7.949 -19.627 11.262 1.00 0.00 N ATOM 1194 CA GLU A 76 -7.748 -18.741 10.124 1.00 0.00 C ATOM 1195 C GLU A 76 -8.411 -17.384 10.362 1.00 0.00 C ATOM 1196 O GLU A 76 -9.302 -17.265 11.209 1.00 0.00 O ATOM 1197 CB GLU A 76 -8.227 -19.445 8.839 1.00 0.00 C ATOM 1198 CG GLU A 76 -9.728 -19.409 8.531 1.00 0.00 C ATOM 1199 CD GLU A 76 -10.673 -19.859 9.660 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -10.536 -20.987 10.184 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -11.616 -19.094 9.972 1.00 0.00 O ATOM 0 H GLU A 76 -8.843 -19.498 11.735 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.686 -18.527 9.999 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.700 -19.000 7.995 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.919 -20.489 8.893 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.994 -18.390 8.250 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.913 -20.039 7.661 1.00 0.00 H new ATOM 1208 N SER A 77 -7.983 -16.377 9.597 1.00 0.00 N ATOM 1209 CA SER A 77 -8.434 -14.998 9.705 1.00 0.00 C ATOM 1210 C SER A 77 -8.491 -14.392 8.305 1.00 0.00 C ATOM 1211 O SER A 77 -7.613 -14.636 7.472 1.00 0.00 O ATOM 1212 CB SER A 77 -7.462 -14.186 10.577 1.00 0.00 C ATOM 1213 OG SER A 77 -7.306 -14.753 11.869 1.00 0.00 O ATOM 0 H SER A 77 -7.289 -16.510 8.862 1.00 0.00 H new ATOM 0 HA SER A 77 -9.421 -14.973 10.168 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.491 -14.133 10.085 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.828 -13.163 10.672 1.00 0.00 H new ATOM 0 HG SER A 77 -6.680 -14.209 12.391 1.00 0.00 H new ATOM 1219 N ARG A 78 -9.529 -13.589 8.055 1.00 0.00 N ATOM 1220 CA ARG A 78 -9.650 -12.779 6.843 1.00 0.00 C ATOM 1221 C ARG A 78 -8.617 -11.652 6.889 1.00 0.00 C ATOM 1222 O ARG A 78 -7.975 -11.371 5.876 1.00 0.00 O ATOM 1223 CB ARG A 78 -11.083 -12.219 6.731 1.00 0.00 C ATOM 1224 CG ARG A 78 -12.106 -13.160 6.074 1.00 0.00 C ATOM 1225 CD ARG A 78 -12.208 -14.552 6.706 1.00 0.00 C ATOM 1226 NE ARG A 78 -12.635 -14.529 8.121 1.00 0.00 N ATOM 1227 CZ ARG A 78 -12.539 -15.563 8.972 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -12.084 -16.741 8.554 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -12.885 -15.416 10.245 1.00 0.00 N ATOM 0 H ARG A 78 -10.316 -13.483 8.695 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.458 -13.391 5.962 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.436 -11.966 7.731 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.049 -11.291 6.161 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.088 -12.688 6.112 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.848 -13.274 5.021 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.914 -15.152 6.132 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.239 -15.046 6.635 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.033 -13.661 8.478 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.805 -16.864 7.581 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.014 -17.522 9.207 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.225 -14.515 10.580 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.810 -16.204 10.888 1.00 0.00 H new ATOM 1243 N SER A 79 -8.443 -11.026 8.055 1.00 0.00 N ATOM 1244 CA SER A 79 -7.392 -10.060 8.311 1.00 0.00 C ATOM 1245 C SER A 79 -6.036 -10.760 8.213 1.00 0.00 C ATOM 1246 O SER A 79 -5.903 -11.931 8.578 1.00 0.00 O ATOM 1247 CB SER A 79 -7.591 -9.455 9.707 1.00 0.00 C ATOM 1248 OG SER A 79 -8.932 -9.018 9.882 1.00 0.00 O ATOM 0 H SER A 79 -9.047 -11.186 8.861 1.00 0.00 H new ATOM 0 HA SER A 79 -7.428 -9.257 7.575 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.343 -10.195 10.468 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.909 -8.616 9.845 1.00 0.00 H new ATOM 0 HG SER A 79 -9.038 -8.637 10.779 1.00 0.00 H new ATOM 1254 N LEU A 80 -5.026 -10.026 7.754 1.00 0.00 N ATOM 1255 CA LEU A 80 -3.647 -10.480 7.642 1.00 0.00 C ATOM 1256 C LEU A 80 -2.714 -9.285 7.826 1.00 0.00 C ATOM 1257 O LEU A 80 -3.082 -8.161 7.477 1.00 0.00 O ATOM 1258 CB LEU A 80 -3.406 -11.200 6.304 1.00 0.00 C ATOM 1259 CG LEU A 80 -3.298 -10.337 5.030 1.00 0.00 C ATOM 1260 CD1 LEU A 80 -2.729 -11.210 3.910 1.00 0.00 C ATOM 1261 CD2 LEU A 80 -4.642 -9.754 4.575 1.00 0.00 C ATOM 0 H LEU A 80 -5.152 -9.064 7.439 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.438 -11.209 8.425 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.486 -11.778 6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.217 -11.913 6.157 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.650 -9.491 5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.643 -10.621 2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.744 -11.577 4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.394 -12.056 3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.494 -9.158 3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.338 -10.566 4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.051 -9.123 5.364 1.00 0.00 H new ATOM 1273 N GLU A 81 -1.530 -9.514 8.392 1.00 0.00 N ATOM 1274 CA GLU A 81 -0.632 -8.455 8.865 1.00 0.00 C ATOM 1275 C GLU A 81 0.855 -8.862 8.837 1.00 0.00 C ATOM 1276 O GLU A 81 1.724 -8.014 9.048 1.00 0.00 O ATOM 1277 CB GLU A 81 -0.993 -8.086 10.324 1.00 0.00 C ATOM 1278 CG GLU A 81 -2.371 -7.436 10.557 1.00 0.00 C ATOM 1279 CD GLU A 81 -2.583 -6.078 9.851 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -1.604 -5.385 9.489 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -3.753 -5.649 9.716 1.00 0.00 O ATOM 0 H GLU A 81 -1.160 -10.453 8.538 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.766 -7.613 8.186 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.939 -8.993 10.927 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.229 -7.406 10.701 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -3.143 -8.128 10.220 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.513 -7.297 11.629 1.00 0.00 H new ATOM 1288 N GLY A 82 1.176 -10.140 8.618 1.00 0.00 N ATOM 1289 CA GLY A 82 2.481 -10.708 8.938 1.00 0.00 C ATOM 1290 C GLY A 82 3.410 -10.831 7.733 1.00 0.00 C ATOM 1291 O GLY A 82 4.623 -10.926 7.923 1.00 0.00 O ATOM 0 H GLY A 82 0.528 -10.813 8.209 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.962 -10.087 9.694 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.340 -11.695 9.379 1.00 0.00 H new ATOM 1295 N HIS A 83 2.870 -10.826 6.513 1.00 0.00 N ATOM 1296 CA HIS A 83 3.612 -11.020 5.274 1.00 0.00 C ATOM 1297 C HIS A 83 4.774 -10.022 5.114 1.00 0.00 C ATOM 1298 O HIS A 83 4.553 -8.829 4.896 1.00 0.00 O ATOM 1299 CB HIS A 83 2.653 -11.006 4.067 1.00 0.00 C ATOM 1300 CG HIS A 83 1.732 -9.808 3.979 1.00 0.00 C ATOM 1301 ND1 HIS A 83 0.548 -9.655 4.660 1.00 0.00 N ATOM 1302 CD2 HIS A 83 1.902 -8.686 3.213 1.00 0.00 C ATOM 1303 CE1 HIS A 83 0.023 -8.464 4.330 1.00 0.00 C ATOM 1304 NE2 HIS A 83 0.813 -7.831 3.441 1.00 0.00 N ATOM 0 H HIS A 83 1.872 -10.682 6.359 1.00 0.00 H new ATOM 0 HA HIS A 83 4.081 -12.003 5.319 1.00 0.00 H new ATOM 0 HB2 HIS A 83 3.246 -11.054 3.154 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.043 -11.909 4.099 1.00 0.00 H new ATOM 0 HD1 HIS A 83 0.138 -10.330 5.305 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.731 -8.492 2.548 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.903 -8.069 4.722 1.00 0.00 H new ATOM 1312 N HIS A 84 6.010 -10.534 5.180 1.00 0.00 N ATOM 1313 CA HIS A 84 7.250 -9.802 4.898 1.00 0.00 C ATOM 1314 C HIS A 84 8.276 -10.760 4.272 1.00 0.00 C ATOM 1315 O HIS A 84 8.848 -10.471 3.220 1.00 0.00 O ATOM 1316 CB HIS A 84 7.839 -9.201 6.193 1.00 0.00 C ATOM 1317 CG HIS A 84 6.970 -8.176 6.884 1.00 0.00 C ATOM 1318 ND1 HIS A 84 5.980 -8.436 7.804 1.00 0.00 N ATOM 1319 CD2 HIS A 84 7.031 -6.816 6.734 1.00 0.00 C ATOM 1320 CE1 HIS A 84 5.442 -7.266 8.185 1.00 0.00 C ATOM 1321 NE2 HIS A 84 6.058 -6.240 7.565 1.00 0.00 N ATOM 0 H HIS A 84 6.179 -11.505 5.441 1.00 0.00 H new ATOM 0 HA HIS A 84 7.024 -8.990 4.207 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.040 -10.013 6.892 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.798 -8.740 5.956 1.00 0.00 H new ATOM 0 HD1 HIS A 84 5.703 -9.359 8.139 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.710 -6.280 6.088 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.630 -7.162 8.889 1.00 0.00 H new ATOM 1329 N ARG A 85 8.468 -11.924 4.902 1.00 0.00 N ATOM 1330 CA ARG A 85 9.256 -13.074 4.448 1.00 0.00 C ATOM 1331 C ARG A 85 8.635 -14.305 5.119 1.00 0.00 C ATOM 1332 O ARG A 85 7.509 -14.195 5.612 1.00 0.00 O ATOM 1333 CB ARG A 85 10.750 -12.869 4.789 1.00 0.00 C ATOM 1334 CG ARG A 85 11.050 -12.787 6.296 1.00 0.00 C ATOM 1335 CD ARG A 85 12.556 -12.676 6.556 1.00 0.00 C ATOM 1336 NE ARG A 85 12.833 -12.810 7.993 1.00 0.00 N ATOM 1337 CZ ARG A 85 14.001 -12.601 8.606 1.00 0.00 C ATOM 1338 NH1 ARG A 85 15.080 -12.240 7.914 1.00 0.00 N ATOM 1339 NH2 ARG A 85 14.079 -12.763 9.923 1.00 0.00 N ATOM 0 H ARG A 85 8.044 -12.100 5.813 1.00 0.00 H new ATOM 0 HA ARG A 85 9.229 -13.202 3.366 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.324 -13.690 4.360 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.097 -11.953 4.311 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.540 -11.924 6.725 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.656 -13.672 6.797 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.086 -13.451 6.002 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.925 -11.716 6.195 1.00 0.00 H new ATOM 0 HE ARG A 85 12.051 -13.092 8.584 1.00 0.00 H new ATOM 0 HH11 ARG A 85 15.021 -12.120 6.903 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.966 -12.084 8.395 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.253 -13.043 10.452 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.965 -12.607 10.404 1.00 0.00 H new ATOM 1353 N PHE A 86 9.335 -15.441 5.205 1.00 0.00 N ATOM 1354 CA PHE A 86 8.934 -16.538 6.077 1.00 0.00 C ATOM 1355 C PHE A 86 10.032 -16.780 7.117 1.00 0.00 C ATOM 1356 O PHE A 86 11.044 -17.421 6.819 1.00 0.00 O ATOM 1357 CB PHE A 86 8.556 -17.784 5.276 1.00 0.00 C ATOM 1358 CG PHE A 86 7.769 -18.752 6.136 1.00 0.00 C ATOM 1359 CD1 PHE A 86 8.435 -19.650 6.990 1.00 0.00 C ATOM 1360 CD2 PHE A 86 6.362 -18.689 6.152 1.00 0.00 C ATOM 1361 CE1 PHE A 86 7.698 -20.492 7.837 1.00 0.00 C ATOM 1362 CE2 PHE A 86 5.625 -19.517 7.015 1.00 0.00 C ATOM 1363 CZ PHE A 86 6.295 -20.419 7.856 1.00 0.00 C ATOM 0 H PHE A 86 10.188 -15.620 4.675 1.00 0.00 H new ATOM 0 HA PHE A 86 8.026 -16.269 6.617 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.965 -17.498 4.406 1.00 0.00 H new ATOM 0 HB3 PHE A 86 9.457 -18.270 4.903 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.514 -19.691 6.994 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.847 -18.001 5.498 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.210 -21.197 8.475 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.547 -19.460 7.031 1.00 0.00 H new ATOM 0 HZ PHE A 86 5.731 -21.058 8.519 1.00 0.00 H new ATOM 1373 N SER A 87 9.871 -16.215 8.315 1.00 0.00 N ATOM 1374 CA SER A 87 10.891 -16.246 9.354 1.00 0.00 C ATOM 1375 C SER A 87 10.817 -17.548 10.155 1.00 0.00 C ATOM 1376 O SER A 87 9.744 -17.991 10.563 1.00 0.00 O ATOM 1377 CB SER A 87 10.681 -15.061 10.306 1.00 0.00 C ATOM 1378 OG SER A 87 10.678 -13.830 9.600 1.00 0.00 O ATOM 0 H SER A 87 9.022 -15.721 8.589 1.00 0.00 H new ATOM 0 HA SER A 87 11.870 -16.183 8.878 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.737 -15.181 10.837 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.471 -15.050 11.057 1.00 0.00 H new ATOM 0 HG SER A 87 10.541 -13.092 10.230 1.00 0.00 H new ATOM 1384 N ILE A 88 11.970 -18.122 10.478 1.00 0.00 N ATOM 1385 CA ILE A 88 12.080 -19.015 11.626 1.00 0.00 C ATOM 1386 C ILE A 88 12.279 -18.102 12.844 1.00 0.00 C ATOM 1387 O ILE A 88 13.027 -17.122 12.774 1.00 0.00 O ATOM 1388 CB ILE A 88 13.223 -20.024 11.394 1.00 0.00 C ATOM 1389 CG1 ILE A 88 12.863 -20.940 10.197 1.00 0.00 C ATOM 1390 CG2 ILE A 88 13.476 -20.869 12.654 1.00 0.00 C ATOM 1391 CD1 ILE A 88 14.078 -21.638 9.589 1.00 0.00 C ATOM 0 H ILE A 88 12.840 -17.986 9.963 1.00 0.00 H new ATOM 0 HA ILE A 88 11.195 -19.630 11.786 1.00 0.00 H new ATOM 0 HB ILE A 88 14.137 -19.474 11.171 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.146 -21.692 10.526 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.370 -20.345 9.428 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.287 -21.572 12.464 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.750 -20.215 13.482 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.571 -21.419 12.911 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.759 -22.264 8.756 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.786 -20.890 9.231 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.558 -22.258 10.346 1.00 0.00 H new ATOM 1403 N VAL A 89 11.593 -18.404 13.944 1.00 0.00 N ATOM 1404 CA VAL A 89 11.503 -17.574 15.139 1.00 0.00 C ATOM 1405 C VAL A 89 11.783 -18.472 16.350 1.00 0.00 C ATOM 1406 O VAL A 89 11.545 -19.684 16.312 1.00 0.00 O ATOM 1407 CB VAL A 89 10.109 -16.890 15.167 1.00 0.00 C ATOM 1408 CG1 VAL A 89 9.829 -16.107 16.460 1.00 0.00 C ATOM 1409 CG2 VAL A 89 9.946 -15.914 13.989 1.00 0.00 C ATOM 0 H VAL A 89 11.063 -19.271 14.029 1.00 0.00 H new ATOM 0 HA VAL A 89 12.238 -16.770 15.152 1.00 0.00 H new ATOM 0 HB VAL A 89 9.396 -17.712 15.100 1.00 0.00 H new ATOM 0 HG11 VAL A 89 8.837 -15.658 16.406 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.874 -16.785 17.313 1.00 0.00 H new ATOM 0 HG13 VAL A 89 10.577 -15.323 16.580 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.961 -15.450 14.035 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.714 -15.142 14.047 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.048 -16.457 13.050 1.00 0.00 H new