USER MOD reduce.3.24.130724 H: found=0, std=0, add=1046, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 1046 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: B 29 ASN : amide:sc= -0.901 K(o=-0.9,f=-0.18) USER MOD Set 1.2: B 47 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 31 GLN : amide:sc= -0.546 K(o=-1.5,f=-3.9!) USER MOD Set 2.2: B 31 GLN : amide:sc= -0.993 K(o=-1.5,f=-0.37) USER MOD Single : A 17 GLN : amide:sc= -0.551 K(o=-0.55,f=-4.4!) USER MOD Single : A 18 THR OG1 : rot 41:sc= -3.17! USER MOD Single : A 19 THR OG1 : rot 93:sc= 0.293 USER MOD Single : A 20 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.8!) USER MOD Single : A 23 HIS : no HD1:sc= -3.65! C(o=-3.6!,f=-14!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -139:sc= -0.0495 (180deg=-0.801) USER MOD Single : A 28 SER OG : rot 7:sc= -0.239 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 38 GLN : amide:sc= -1.48 K(o=-1.5,f=-0.24) USER MOD Single : A 40 SER OG : rot -43:sc= 0.257 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= -0.457 (180deg=-0.49) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 169:sc=-0.00666 (180deg=-0.138) USER MOD Single : A 68 GLN : amide:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 GLN : amide:sc= -0.423 K(o=-0.42,f=-4.3!) USER MOD Single : B 18 THR OG1 : rot -130:sc= -2.53! USER MOD Single : B 19 THR OG1 : rot 92:sc= 0.298 USER MOD Single : B 20 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.7!) USER MOD Single : B 23 HIS : no HD1:sc= -3.7! C(o=-3.7!,f=-14!) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 MET CE :methyl -159:sc= 0 (180deg=-0.0843) USER MOD Single : B 28 SER OG : rot -110:sc= 0 USER MOD Single : B 38 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.0069) USER MOD Single : B 40 SER OG : rot -53:sc= 0.193 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ 168:sc= -0.0405 (180deg=-0.227) USER MOD Single : B 50 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 169:sc=-0.00976 (180deg=-0.132) USER MOD Single : B 68 GLN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -6.655 -18.692 15.266 1.00 0.81 N ATOM 2 CA LEU A 8 -7.257 -19.158 13.998 1.00 0.78 C ATOM 3 C LEU A 8 -8.718 -19.603 14.235 1.00 0.78 C ATOM 4 O LEU A 8 -9.021 -20.753 14.545 1.00 0.80 O ATOM 5 CB LEU A 8 -6.391 -20.286 13.409 1.00 0.80 C ATOM 6 CG LEU A 8 -6.790 -20.773 12.001 1.00 0.78 C ATOM 7 CD1 LEU A 8 -5.575 -21.415 11.336 1.00 0.80 C ATOM 8 CD2 LEU A 8 -7.890 -21.839 12.013 1.00 0.78 C ATOM 0 HA LEU A 8 -7.285 -18.344 13.274 1.00 0.78 H new ATOM 0 HB2 LEU A 8 -5.357 -19.944 13.375 1.00 0.80 H new ATOM 0 HB3 LEU A 8 -6.423 -21.137 14.090 1.00 0.80 H new ATOM 0 HG LEU A 8 -7.159 -19.896 11.469 1.00 0.78 H new ATOM 0 HD11 LEU A 8 -5.847 -21.763 10.339 1.00 0.80 H new ATOM 0 HD12 LEU A 8 -4.773 -20.681 11.258 1.00 0.80 H new ATOM 0 HD13 LEU A 8 -5.236 -22.260 11.935 1.00 0.80 H new ATOM 0 HD21 LEU A 8 -8.121 -22.135 10.990 1.00 0.78 H new ATOM 0 HD22 LEU A 8 -7.548 -22.709 12.574 1.00 0.78 H new ATOM 0 HD23 LEU A 8 -8.785 -21.433 12.484 1.00 0.78 H new ATOM 20 N ARG A 9 -9.568 -18.593 14.312 1.00 0.76 N ATOM 21 CA ARG A 9 -11.009 -18.812 14.538 1.00 0.76 C ATOM 22 C ARG A 9 -11.857 -18.014 13.550 1.00 0.72 C ATOM 23 O ARG A 9 -12.534 -18.583 12.697 1.00 0.71 O ATOM 24 CB ARG A 9 -11.400 -18.568 16.009 1.00 0.79 C ATOM 25 CG ARG A 9 -11.068 -17.165 16.524 1.00 0.78 C ATOM 26 CD ARG A 9 -11.664 -16.914 17.905 1.00 0.82 C ATOM 27 NE ARG A 9 -11.391 -15.520 18.308 1.00 0.81 N ATOM 28 CZ ARG A 9 -10.227 -15.024 18.735 1.00 0.83 C ATOM 29 NH1 ARG A 9 -9.139 -15.781 18.835 1.00 0.84 N ATOM 30 NH2 ARG A 9 -10.151 -13.755 19.115 1.00 0.83 N ATOM 0 H ARG A 9 -9.299 -17.613 14.223 1.00 0.76 H new ATOM 0 HA ARG A 9 -11.222 -19.863 14.343 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -12.470 -18.740 16.122 1.00 0.79 H new ATOM 0 HB3 ARG A 9 -10.892 -19.302 16.635 1.00 0.79 H new ATOM 0 HG2 ARG A 9 -9.986 -17.040 16.567 1.00 0.78 H new ATOM 0 HG3 ARG A 9 -11.448 -16.421 15.823 1.00 0.78 H new ATOM 0 HD2 ARG A 9 -12.739 -17.096 17.889 1.00 0.82 H new ATOM 0 HD3 ARG A 9 -11.235 -17.605 18.630 1.00 0.82 H new ATOM 0 HE ARG A 9 -12.173 -14.868 18.255 1.00 0.81 H new ATOM 0 HH11 ARG A 9 -9.180 -16.768 18.582 1.00 0.84 H new ATOM 0 HH12 ARG A 9 -8.263 -15.375 19.164 1.00 0.84 H new ATOM 0 HH21 ARG A 9 -10.980 -13.162 19.080 1.00 0.83 H new ATOM 0 HH22 ARG A 9 -9.264 -13.373 19.442 1.00 0.83 H new ATOM 44 N GLU A 10 -11.769 -16.685 13.656 1.00 0.70 N ATOM 45 CA GLU A 10 -12.600 -15.744 12.894 1.00 0.67 C ATOM 46 C GLU A 10 -11.864 -14.418 12.702 1.00 0.65 C ATOM 47 O GLU A 10 -11.462 -13.768 13.667 1.00 0.67 O ATOM 48 CB GLU A 10 -13.908 -15.472 13.646 1.00 0.69 C ATOM 49 CG GLU A 10 -14.795 -16.716 13.759 1.00 0.71 C ATOM 50 CD GLU A 10 -16.134 -16.450 14.452 1.00 0.73 C ATOM 51 OE1 GLU A 10 -16.611 -15.295 14.372 1.00 0.72 O ATOM 52 OE2 GLU A 10 -16.663 -17.420 15.032 1.00 0.76 O ATOM 0 H GLU A 10 -11.109 -16.224 14.283 1.00 0.70 H new ATOM 0 HA GLU A 10 -12.814 -16.188 11.922 1.00 0.67 H new ATOM 0 HB2 GLU A 10 -13.678 -15.103 14.645 1.00 0.69 H new ATOM 0 HB3 GLU A 10 -14.459 -14.683 13.134 1.00 0.69 H new ATOM 0 HG2 GLU A 10 -14.984 -17.110 12.760 1.00 0.71 H new ATOM 0 HG3 GLU A 10 -14.257 -17.488 14.310 1.00 0.71 H new ATOM 59 N LEU A 11 -11.578 -14.146 11.441 1.00 0.62 N ATOM 60 CA LEU A 11 -10.892 -12.908 11.030 1.00 0.60 C ATOM 61 C LEU A 11 -11.706 -12.187 9.955 1.00 0.57 C ATOM 62 O LEU A 11 -12.267 -12.811 9.053 1.00 0.56 O ATOM 63 CB LEU A 11 -9.503 -13.251 10.497 1.00 0.60 C ATOM 64 CG LEU A 11 -8.622 -13.867 11.585 1.00 0.63 C ATOM 65 CD1 LEU A 11 -8.076 -15.215 11.114 1.00 0.65 C ATOM 66 CD2 LEU A 11 -7.492 -12.910 11.959 1.00 0.64 C ATOM 0 H LEU A 11 -11.809 -14.768 10.666 1.00 0.62 H new ATOM 0 HA LEU A 11 -10.794 -12.247 11.891 1.00 0.60 H new ATOM 0 HB2 LEU A 11 -9.594 -13.947 9.663 1.00 0.60 H new ATOM 0 HB3 LEU A 11 -9.028 -12.350 10.110 1.00 0.60 H new ATOM 0 HG LEU A 11 -9.223 -14.037 12.478 1.00 0.63 H new ATOM 0 HD11 LEU A 11 -7.450 -15.647 11.895 1.00 0.65 H new ATOM 0 HD12 LEU A 11 -8.906 -15.889 10.900 1.00 0.65 H new ATOM 0 HD13 LEU A 11 -7.483 -15.072 10.211 1.00 0.65 H new ATOM 0 HD21 LEU A 11 -6.874 -13.362 12.734 1.00 0.64 H new ATOM 0 HD22 LEU A 11 -6.881 -12.707 11.080 1.00 0.64 H new ATOM 0 HD23 LEU A 11 -7.914 -11.976 12.330 1.00 0.64 H new ATOM 78 N ARG A 12 -11.729 -10.873 10.089 1.00 0.56 N ATOM 79 CA ARG A 12 -12.524 -9.998 9.209 1.00 0.54 C ATOM 80 C ARG A 12 -11.572 -9.280 8.257 1.00 0.51 C ATOM 81 O ARG A 12 -10.444 -8.952 8.628 1.00 0.51 O ATOM 82 CB ARG A 12 -13.277 -8.956 10.057 1.00 0.55 C ATOM 83 CG ARG A 12 -13.960 -9.513 11.314 1.00 0.59 C ATOM 84 CD ARG A 12 -14.828 -10.727 10.984 1.00 0.59 C ATOM 85 NE ARG A 12 -15.589 -11.178 12.148 1.00 0.63 N ATOM 86 CZ ARG A 12 -16.899 -10.995 12.222 1.00 0.65 C ATOM 87 NH1 ARG A 12 -17.395 -9.828 12.610 1.00 0.66 N ATOM 88 NH2 ARG A 12 -17.711 -12.014 12.000 1.00 0.66 N ATOM 0 H ARG A 12 -11.203 -10.372 10.805 1.00 0.56 H new ATOM 0 HA ARG A 12 -13.246 -10.591 8.648 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -12.575 -8.179 10.358 1.00 0.55 H new ATOM 0 HB3 ARG A 12 -14.032 -8.479 9.433 1.00 0.55 H new ATOM 0 HG2 ARG A 12 -13.204 -9.793 12.047 1.00 0.59 H new ATOM 0 HG3 ARG A 12 -14.575 -8.737 11.770 1.00 0.59 H new ATOM 0 HD2 ARG A 12 -15.514 -10.475 10.175 1.00 0.59 H new ATOM 0 HD3 ARG A 12 -14.196 -11.539 10.625 1.00 0.59 H new ATOM 0 HE ARG A 12 -15.103 -11.641 12.916 1.00 0.63 H new ATOM 0 HH11 ARG A 12 -16.767 -9.063 12.854 1.00 0.66 H new ATOM 0 HH12 ARG A 12 -18.405 -9.696 12.664 1.00 0.66 H new ATOM 0 HH21 ARG A 12 -17.328 -12.932 11.774 1.00 0.66 H new ATOM 0 HH22 ARG A 12 -18.721 -11.883 12.055 1.00 0.66 H new ATOM 102 N CYS A 13 -12.044 -9.033 7.037 1.00 0.49 N ATOM 103 CA CYS A 13 -11.292 -8.216 6.069 1.00 0.47 C ATOM 104 C CYS A 13 -10.953 -6.849 6.689 1.00 0.47 C ATOM 105 O CYS A 13 -11.677 -6.354 7.552 1.00 0.48 O ATOM 106 CB CYS A 13 -12.139 -8.012 4.812 1.00 0.47 C ATOM 107 SG CYS A 13 -12.225 -9.472 3.713 1.00 0.48 S ATOM 0 H CYS A 13 -12.938 -9.382 6.690 1.00 0.49 H new ATOM 0 HA CYS A 13 -10.366 -8.728 5.808 1.00 0.47 H new ATOM 0 HB2 CYS A 13 -13.151 -7.737 5.111 1.00 0.47 H new ATOM 0 HB3 CYS A 13 -11.734 -7.172 4.248 1.00 0.47 H new ATOM 112 N VAL A 14 -9.841 -6.269 6.241 1.00 0.45 N ATOM 113 CA VAL A 14 -9.421 -4.925 6.718 1.00 0.45 C ATOM 114 C VAL A 14 -10.489 -3.853 6.402 1.00 0.44 C ATOM 115 O VAL A 14 -10.646 -2.871 7.120 1.00 0.45 O ATOM 116 CB VAL A 14 -8.007 -4.560 6.204 1.00 0.44 C ATOM 117 CG1 VAL A 14 -7.884 -4.385 4.688 1.00 0.43 C ATOM 118 CG2 VAL A 14 -7.462 -3.303 6.887 1.00 0.45 C ATOM 0 H VAL A 14 -9.212 -6.691 5.557 1.00 0.45 H new ATOM 0 HA VAL A 14 -9.345 -4.957 7.805 1.00 0.45 H new ATOM 0 HB VAL A 14 -7.411 -5.434 6.469 1.00 0.44 H new ATOM 0 HG11 VAL A 14 -6.855 -4.131 4.433 1.00 0.43 H new ATOM 0 HG12 VAL A 14 -8.162 -5.314 4.191 1.00 0.43 H new ATOM 0 HG13 VAL A 14 -8.547 -3.585 4.359 1.00 0.43 H new ATOM 0 HG21 VAL A 14 -6.468 -3.080 6.499 1.00 0.45 H new ATOM 0 HG22 VAL A 14 -8.127 -2.463 6.686 1.00 0.45 H new ATOM 0 HG23 VAL A 14 -7.403 -3.470 7.963 1.00 0.45 H new ATOM 128 N CYS A 15 -11.195 -4.082 5.299 1.00 0.44 N ATOM 129 CA CYS A 15 -12.276 -3.220 4.801 1.00 0.44 C ATOM 130 C CYS A 15 -13.602 -3.974 4.742 1.00 0.46 C ATOM 131 O CYS A 15 -13.790 -4.855 3.905 1.00 0.46 O ATOM 132 CB CYS A 15 -11.949 -2.740 3.392 1.00 0.43 C ATOM 133 SG CYS A 15 -10.649 -1.474 3.364 1.00 0.42 S ATOM 0 H CYS A 15 -11.030 -4.895 4.705 1.00 0.44 H new ATOM 0 HA CYS A 15 -12.366 -2.378 5.488 1.00 0.44 H new ATOM 0 HB2 CYS A 15 -11.634 -3.591 2.787 1.00 0.43 H new ATOM 0 HB3 CYS A 15 -12.851 -2.338 2.932 1.00 0.43 H new ATOM 138 N LEU A 16 -14.453 -3.670 5.711 1.00 0.48 N ATOM 139 CA LEU A 16 -15.820 -4.228 5.741 1.00 0.51 C ATOM 140 C LEU A 16 -16.817 -3.469 4.851 1.00 0.53 C ATOM 141 O LEU A 16 -17.719 -4.065 4.255 1.00 0.55 O ATOM 142 CB LEU A 16 -16.334 -4.317 7.183 1.00 0.54 C ATOM 143 CG LEU A 16 -15.536 -5.318 8.033 1.00 0.53 C ATOM 144 CD1 LEU A 16 -16.059 -5.296 9.470 1.00 0.57 C ATOM 145 CD2 LEU A 16 -15.616 -6.745 7.473 1.00 0.53 C ATOM 0 H LEU A 16 -14.234 -3.045 6.487 1.00 0.48 H new ATOM 0 HA LEU A 16 -15.748 -5.231 5.321 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -16.282 -3.331 7.645 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -17.384 -4.610 7.173 1.00 0.54 H new ATOM 0 HG LEU A 16 -14.489 -5.016 8.008 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -15.494 -6.006 10.074 1.00 0.57 H new ATOM 0 HD12 LEU A 16 -15.943 -4.294 9.884 1.00 0.57 H new ATOM 0 HD13 LEU A 16 -17.113 -5.572 9.478 1.00 0.57 H new ATOM 0 HD21 LEU A 16 -15.037 -7.417 8.106 1.00 0.53 H new ATOM 0 HD22 LEU A 16 -16.656 -7.070 7.454 1.00 0.53 H new ATOM 0 HD23 LEU A 16 -15.212 -6.762 6.461 1.00 0.53 H new ATOM 157 N GLN A 17 -16.617 -2.174 4.748 1.00 0.53 N ATOM 158 CA GLN A 17 -17.457 -1.254 3.970 1.00 0.55 C ATOM 159 C GLN A 17 -16.672 -0.719 2.759 1.00 0.53 C ATOM 160 O GLN A 17 -15.502 -1.037 2.551 1.00 0.50 O ATOM 161 CB GLN A 17 -17.971 -0.108 4.864 1.00 0.57 C ATOM 162 CG GLN A 17 -16.914 0.908 5.333 1.00 0.56 C ATOM 163 CD GLN A 17 -15.904 0.378 6.360 1.00 0.54 C ATOM 164 OE1 GLN A 17 -15.950 -0.712 6.903 1.00 0.54 O ATOM 165 NE2 GLN A 17 -14.936 1.198 6.681 1.00 0.53 N ATOM 0 H GLN A 17 -15.842 -1.704 5.215 1.00 0.53 H new ATOM 0 HA GLN A 17 -18.327 -1.794 3.595 1.00 0.55 H new ATOM 0 HB2 GLN A 17 -18.747 0.430 4.320 1.00 0.57 H new ATOM 0 HB3 GLN A 17 -18.443 -0.544 5.745 1.00 0.57 H new ATOM 0 HG2 GLN A 17 -16.367 1.266 4.461 1.00 0.56 H new ATOM 0 HG3 GLN A 17 -17.427 1.768 5.763 1.00 0.56 H new ATOM 0 HE21 GLN A 17 -14.877 2.116 6.239 1.00 0.53 H new ATOM 0 HE22 GLN A 17 -14.240 0.920 7.373 1.00 0.53 H new ATOM 174 N THR A 18 -17.353 0.138 2.019 1.00 0.56 N ATOM 175 CA THR A 18 -16.793 0.799 0.827 1.00 0.55 C ATOM 176 C THR A 18 -16.990 2.324 0.889 1.00 0.57 C ATOM 177 O THR A 18 -17.497 2.870 1.873 1.00 0.58 O ATOM 178 CB THR A 18 -17.429 0.151 -0.413 1.00 0.57 C ATOM 179 OG1 THR A 18 -16.788 0.673 -1.574 1.00 0.57 O ATOM 180 CG2 THR A 18 -18.949 0.348 -0.512 1.00 0.62 C ATOM 0 H THR A 18 -18.317 0.404 2.220 1.00 0.56 H new ATOM 0 HA THR A 18 -15.713 0.658 0.777 1.00 0.55 H new ATOM 0 HB THR A 18 -17.281 -0.926 -0.328 1.00 0.57 H new ATOM 0 HG1 THR A 18 -15.824 0.742 -1.412 1.00 0.57 H new ATOM 0 HG21 THR A 18 -19.321 -0.138 -1.414 1.00 0.62 H new ATOM 0 HG22 THR A 18 -19.430 -0.091 0.362 1.00 0.62 H new ATOM 0 HG23 THR A 18 -19.176 1.413 -0.555 1.00 0.62 H new ATOM 188 N THR A 19 -16.676 2.990 -0.215 1.00 0.57 N ATOM 189 CA THR A 19 -16.779 4.447 -0.401 1.00 0.59 C ATOM 190 C THR A 19 -16.869 4.786 -1.900 1.00 0.61 C ATOM 191 O THR A 19 -16.373 4.056 -2.766 1.00 0.60 O ATOM 192 CB THR A 19 -15.564 5.145 0.251 1.00 0.56 C ATOM 193 OG1 THR A 19 -15.511 4.818 1.644 1.00 0.55 O ATOM 194 CG2 THR A 19 -15.591 6.671 0.136 1.00 0.58 C ATOM 0 H THR A 19 -16.326 2.516 -1.047 1.00 0.57 H new ATOM 0 HA THR A 19 -17.686 4.808 0.083 1.00 0.59 H new ATOM 0 HB THR A 19 -14.690 4.784 -0.291 1.00 0.56 H new ATOM 0 HG1 THR A 19 -14.940 4.032 1.774 1.00 0.55 H new ATOM 0 HG21 THR A 19 -14.706 7.088 0.617 1.00 0.58 H new ATOM 0 HG22 THR A 19 -15.601 6.956 -0.916 1.00 0.58 H new ATOM 0 HG23 THR A 19 -16.485 7.057 0.625 1.00 0.58 H new ATOM 202 N GLN A 20 -17.518 5.913 -2.153 1.00 0.65 N ATOM 203 CA GLN A 20 -17.704 6.509 -3.478 1.00 0.68 C ATOM 204 C GLN A 20 -17.279 7.980 -3.513 1.00 0.68 C ATOM 205 O GLN A 20 -18.075 8.919 -3.538 1.00 0.72 O ATOM 206 CB GLN A 20 -19.144 6.299 -3.988 1.00 0.72 C ATOM 207 CG GLN A 20 -20.278 6.984 -3.214 1.00 0.75 C ATOM 208 CD GLN A 20 -20.484 6.496 -1.778 1.00 0.74 C ATOM 209 OE1 GLN A 20 -20.028 5.470 -1.301 1.00 0.71 O ATOM 210 NE2 GLN A 20 -21.268 7.243 -1.043 1.00 0.76 N ATOM 0 H GLN A 20 -17.950 6.465 -1.412 1.00 0.65 H new ATOM 0 HA GLN A 20 -17.041 5.986 -4.168 1.00 0.68 H new ATOM 0 HB2 GLN A 20 -19.188 6.642 -5.022 1.00 0.72 H new ATOM 0 HB3 GLN A 20 -19.344 5.228 -3.999 1.00 0.72 H new ATOM 0 HG2 GLN A 20 -20.082 8.056 -3.190 1.00 0.75 H new ATOM 0 HG3 GLN A 20 -21.208 6.842 -3.765 1.00 0.75 H new ATOM 0 HE21 GLN A 20 -21.658 8.104 -1.426 1.00 0.76 H new ATOM 0 HE22 GLN A 20 -21.489 6.964 -0.087 1.00 0.76 H new ATOM 219 N GLY A 21 -15.957 8.147 -3.459 1.00 0.65 N ATOM 220 CA GLY A 21 -15.388 9.484 -3.607 1.00 0.65 C ATOM 221 C GLY A 21 -15.230 9.853 -5.098 1.00 0.68 C ATOM 222 O GLY A 21 -15.460 9.001 -5.947 1.00 0.69 O ATOM 0 H GLY A 21 -15.279 7.398 -3.318 1.00 0.65 H new ATOM 0 HA2 GLY A 21 -16.030 10.214 -3.114 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -14.418 9.528 -3.113 1.00 0.65 H new ATOM 226 N VAL A 22 -14.685 10.999 -5.486 1.00 0.69 N ATOM 227 CA VAL A 22 -13.970 12.132 -4.826 1.00 0.68 C ATOM 228 C VAL A 22 -12.791 12.504 -5.754 1.00 0.67 C ATOM 229 O VAL A 22 -12.648 11.944 -6.836 1.00 0.68 O ATOM 230 CB VAL A 22 -13.488 11.889 -3.366 1.00 0.64 C ATOM 231 CG1 VAL A 22 -12.312 10.907 -3.225 1.00 0.60 C ATOM 232 CG2 VAL A 22 -13.273 13.187 -2.576 1.00 0.65 C ATOM 0 H VAL A 22 -14.740 11.212 -6.482 1.00 0.69 H new ATOM 0 HA VAL A 22 -14.686 12.945 -4.700 1.00 0.68 H new ATOM 0 HB VAL A 22 -14.328 11.376 -2.898 1.00 0.64 H new ATOM 0 HG11 VAL A 22 -12.049 10.803 -2.172 1.00 0.60 H new ATOM 0 HG12 VAL A 22 -12.600 9.935 -3.624 1.00 0.60 H new ATOM 0 HG13 VAL A 22 -11.453 11.286 -3.778 1.00 0.60 H new ATOM 0 HG21 VAL A 22 -12.938 12.947 -1.567 1.00 0.65 H new ATOM 0 HG22 VAL A 22 -12.518 13.796 -3.074 1.00 0.65 H new ATOM 0 HG23 VAL A 22 -14.210 13.741 -2.525 1.00 0.65 H new ATOM 242 N HIS A 23 -11.914 13.391 -5.301 1.00 0.66 N ATOM 243 CA HIS A 23 -10.701 13.740 -6.043 1.00 0.66 C ATOM 244 C HIS A 23 -9.449 13.356 -5.223 1.00 0.62 C ATOM 245 O HIS A 23 -9.440 13.549 -4.002 1.00 0.60 O ATOM 246 CB HIS A 23 -10.735 15.236 -6.375 1.00 0.69 C ATOM 247 CG HIS A 23 -9.651 15.617 -7.390 1.00 0.70 C ATOM 248 ND1 HIS A 23 -8.366 15.791 -7.105 1.00 0.68 N ATOM 249 CD2 HIS A 23 -9.817 15.867 -8.684 1.00 0.73 C ATOM 250 CE1 HIS A 23 -7.733 16.164 -8.214 1.00 0.70 C ATOM 251 NE2 HIS A 23 -8.631 16.210 -9.191 1.00 0.73 N ATOM 0 H HIS A 23 -12.019 13.887 -4.416 1.00 0.66 H new ATOM 0 HA HIS A 23 -10.655 13.183 -6.979 1.00 0.66 H new ATOM 0 HB2 HIS A 23 -11.715 15.498 -6.774 1.00 0.69 H new ATOM 0 HB3 HIS A 23 -10.598 15.815 -5.462 1.00 0.69 H new ATOM 0 HD2 HIS A 23 -10.747 15.804 -9.229 1.00 0.73 H new ATOM 0 HE1 HIS A 23 -6.680 16.389 -8.303 1.00 0.70 H new ATOM 0 HE2 HIS A 23 -8.446 16.464 -10.162 1.00 0.73 H new ATOM 259 N PRO A 24 -8.396 12.888 -5.916 1.00 0.61 N ATOM 260 CA PRO A 24 -7.072 12.586 -5.333 1.00 0.58 C ATOM 261 C PRO A 24 -6.511 13.740 -4.507 1.00 0.58 C ATOM 262 O PRO A 24 -5.660 13.510 -3.659 1.00 0.56 O ATOM 263 CB PRO A 24 -6.136 12.431 -6.523 1.00 0.60 C ATOM 264 CG PRO A 24 -7.043 11.913 -7.626 1.00 0.62 C ATOM 265 CD PRO A 24 -8.380 12.592 -7.363 1.00 0.64 C ATOM 0 HA PRO A 24 -7.160 11.713 -4.687 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -5.674 13.380 -6.796 1.00 0.60 H new ATOM 0 HB3 PRO A 24 -5.327 11.733 -6.308 1.00 0.60 H new ATOM 0 HG2 PRO A 24 -6.655 12.167 -8.612 1.00 0.62 H new ATOM 0 HG3 PRO A 24 -7.134 10.827 -7.589 1.00 0.62 H new ATOM 0 HD2 PRO A 24 -8.479 13.504 -7.951 1.00 0.64 H new ATOM 0 HD3 PRO A 24 -9.211 11.943 -7.640 1.00 0.64 H new ATOM 273 N LYS A 25 -6.989 14.957 -4.760 1.00 0.61 N ATOM 274 CA LYS A 25 -6.573 16.180 -4.061 1.00 0.61 C ATOM 275 C LYS A 25 -6.650 16.045 -2.530 1.00 0.59 C ATOM 276 O LYS A 25 -5.856 16.636 -1.812 1.00 0.59 O ATOM 277 CB LYS A 25 -7.467 17.331 -4.520 1.00 0.65 C ATOM 278 CG LYS A 25 -6.646 18.615 -4.647 1.00 0.67 C ATOM 279 CD LYS A 25 -7.480 19.805 -5.129 1.00 0.70 C ATOM 280 CE LYS A 25 -8.467 20.282 -4.062 1.00 0.71 C ATOM 281 NZ LYS A 25 -8.348 21.735 -3.891 1.00 0.74 N ATOM 0 H LYS A 25 -7.696 15.128 -5.475 1.00 0.61 H new ATOM 0 HA LYS A 25 -5.529 16.370 -4.310 1.00 0.61 H new ATOM 0 HB2 LYS A 25 -7.925 17.086 -5.479 1.00 0.65 H new ATOM 0 HB3 LYS A 25 -8.279 17.478 -3.807 1.00 0.65 H new ATOM 0 HG2 LYS A 25 -6.203 18.855 -3.680 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -5.823 18.448 -5.342 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -6.817 20.626 -5.402 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -8.027 19.524 -6.029 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -9.485 20.023 -4.353 1.00 0.71 H new ATOM 0 HE3 LYS A 25 -8.267 19.777 -3.117 1.00 0.71 H new ATOM 0 HZ1 LYS A 25 -9.020 22.055 -3.165 1.00 0.74 H new ATOM 0 HZ2 LYS A 25 -7.380 21.972 -3.595 1.00 0.74 H new ATOM 0 HZ3 LYS A 25 -8.560 22.209 -4.792 1.00 0.74 H new ATOM 295 N MET A 26 -7.569 15.207 -2.054 1.00 0.58 N ATOM 296 CA MET A 26 -7.732 14.989 -0.619 1.00 0.58 C ATOM 297 C MET A 26 -6.854 13.832 -0.124 1.00 0.54 C ATOM 298 O MET A 26 -6.574 13.724 1.067 1.00 0.54 O ATOM 299 CB MET A 26 -9.200 14.702 -0.287 1.00 0.59 C ATOM 300 CG MET A 26 -10.117 15.913 -0.409 1.00 0.67 C ATOM 301 SD MET A 26 -9.870 17.123 0.904 1.00 0.79 S ATOM 302 CE MET A 26 -8.850 18.330 0.062 1.00 1.08 C ATOM 0 H MET A 26 -8.209 14.670 -2.639 1.00 0.58 H new ATOM 0 HA MET A 26 -7.417 15.900 -0.110 1.00 0.58 H new ATOM 0 HB2 MET A 26 -9.564 13.917 -0.950 1.00 0.59 H new ATOM 0 HB3 MET A 26 -9.262 14.315 0.730 1.00 0.59 H new ATOM 0 HG2 MET A 26 -9.949 16.393 -1.373 1.00 0.67 H new ATOM 0 HG3 MET A 26 -11.154 15.578 -0.396 1.00 0.67 H new ATOM 0 HE1 MET A 26 -8.065 18.676 0.735 1.00 1.08 H new ATOM 0 HE2 MET A 26 -8.398 17.873 -0.818 1.00 1.08 H new ATOM 0 HE3 MET A 26 -9.465 19.176 -0.244 1.00 1.08 H new ATOM 312 N ILE A 27 -6.423 12.979 -1.052 1.00 0.52 N ATOM 313 CA ILE A 27 -5.587 11.817 -0.730 1.00 0.50 C ATOM 314 C ILE A 27 -4.100 12.194 -0.663 1.00 0.51 C ATOM 315 O ILE A 27 -3.651 13.108 -1.355 1.00 0.58 O ATOM 316 CB ILE A 27 -5.769 10.699 -1.790 1.00 0.53 C ATOM 317 CG1 ILE A 27 -7.251 10.470 -2.101 1.00 0.56 C ATOM 318 CG2 ILE A 27 -5.129 9.394 -1.330 1.00 0.54 C ATOM 319 CD1 ILE A 27 -8.052 9.941 -0.927 1.00 0.57 C ATOM 0 H ILE A 27 -6.641 13.070 -2.044 1.00 0.52 H new ATOM 0 HA ILE A 27 -5.907 11.456 0.248 1.00 0.50 H new ATOM 0 HB ILE A 27 -5.268 11.030 -2.700 1.00 0.53 H new ATOM 0 HG12 ILE A 27 -7.691 11.410 -2.434 1.00 0.56 H new ATOM 0 HG13 ILE A 27 -7.334 9.767 -2.930 1.00 0.56 H new ATOM 0 HG21 ILE A 27 -5.273 8.629 -2.093 1.00 0.54 H new ATOM 0 HG22 ILE A 27 -4.062 9.549 -1.168 1.00 0.54 H new ATOM 0 HG23 ILE A 27 -5.594 9.069 -0.399 1.00 0.54 H new ATOM 0 HD11 ILE A 27 -9.091 9.805 -1.227 1.00 0.57 H new ATOM 0 HD12 ILE A 27 -7.639 8.985 -0.606 1.00 0.57 H new ATOM 0 HD13 ILE A 27 -8.002 10.652 -0.103 1.00 0.57 H new ATOM 331 N SER A 28 -3.344 11.475 0.173 1.00 0.49 N ATOM 332 CA SER A 28 -1.913 11.718 0.332 1.00 0.54 C ATOM 333 C SER A 28 -1.170 10.424 0.677 1.00 0.55 C ATOM 334 O SER A 28 0.023 10.448 0.977 1.00 0.69 O ATOM 335 CB SER A 28 -1.671 12.766 1.420 1.00 0.61 C ATOM 336 OG SER A 28 -2.036 14.059 0.974 1.00 0.69 O ATOM 0 H SER A 28 -3.705 10.717 0.752 1.00 0.49 H new ATOM 0 HA SER A 28 -1.527 12.092 -0.616 1.00 0.54 H new ATOM 0 HB2 SER A 28 -2.246 12.510 2.310 1.00 0.61 H new ATOM 0 HB3 SER A 28 -0.619 12.760 1.707 1.00 0.61 H new ATOM 0 HG SER A 28 -2.474 13.992 0.100 1.00 0.69 H new ATOM 342 N ASN A 29 -1.889 9.299 0.635 1.00 0.51 N ATOM 343 CA ASN A 29 -1.305 7.990 0.937 1.00 0.51 C ATOM 344 C ASN A 29 -2.219 6.869 0.442 1.00 0.50 C ATOM 345 O ASN A 29 -3.428 6.894 0.668 1.00 0.51 O ATOM 346 CB ASN A 29 -1.079 7.847 2.447 1.00 0.54 C ATOM 347 CG ASN A 29 -0.439 6.524 2.831 1.00 0.57 C ATOM 348 OD1 ASN A 29 0.408 5.995 2.113 1.00 0.64 O ATOM 349 ND2 ASN A 29 -0.850 5.981 3.970 1.00 0.78 N ATOM 0 H ASN A 29 -2.880 9.269 0.394 1.00 0.51 H new ATOM 0 HA ASN A 29 -0.346 7.914 0.424 1.00 0.51 H new ATOM 0 HB2 ASN A 29 -0.446 8.664 2.793 1.00 0.54 H new ATOM 0 HB3 ASN A 29 -2.035 7.945 2.962 1.00 0.54 H new ATOM 0 HD21 ASN A 29 -0.461 5.091 4.280 1.00 0.78 H new ATOM 0 HD22 ASN A 29 -1.555 6.454 4.535 1.00 0.78 H new ATOM 356 N LEU A 30 -1.627 5.894 -0.237 1.00 0.54 N ATOM 357 CA LEU A 30 -2.366 4.758 -0.772 1.00 0.56 C ATOM 358 C LEU A 30 -1.819 3.454 -0.196 1.00 0.57 C ATOM 359 O LEU A 30 -0.637 3.362 0.121 1.00 0.74 O ATOM 360 CB LEU A 30 -2.264 4.738 -2.299 1.00 0.60 C ATOM 361 CG LEU A 30 -3.083 3.652 -2.999 1.00 0.67 C ATOM 362 CD1 LEU A 30 -4.546 4.057 -3.083 1.00 0.69 C ATOM 363 CD2 LEU A 30 -2.524 3.370 -4.386 1.00 0.73 C ATOM 0 H LEU A 30 -0.626 5.869 -0.431 1.00 0.54 H new ATOM 0 HA LEU A 30 -3.414 4.856 -0.487 1.00 0.56 H new ATOM 0 HB2 LEU A 30 -2.580 5.709 -2.680 1.00 0.60 H new ATOM 0 HB3 LEU A 30 -1.217 4.613 -2.574 1.00 0.60 H new ATOM 0 HG LEU A 30 -3.014 2.737 -2.410 1.00 0.67 H new ATOM 0 HD11 LEU A 30 -5.113 3.272 -3.584 1.00 0.69 H new ATOM 0 HD12 LEU A 30 -4.941 4.204 -2.078 1.00 0.69 H new ATOM 0 HD13 LEU A 30 -4.635 4.985 -3.647 1.00 0.69 H new ATOM 0 HD21 LEU A 30 -3.120 2.595 -4.868 1.00 0.73 H new ATOM 0 HD22 LEU A 30 -2.560 4.280 -4.985 1.00 0.73 H new ATOM 0 HD23 LEU A 30 -1.491 3.033 -4.300 1.00 0.73 H new ATOM 375 N GLN A 31 -2.685 2.454 -0.049 1.00 0.50 N ATOM 376 CA GLN A 31 -2.280 1.155 0.485 1.00 0.51 C ATOM 377 C GLN A 31 -3.043 0.027 -0.207 1.00 0.52 C ATOM 378 O GLN A 31 -4.266 -0.067 -0.107 1.00 0.61 O ATOM 379 CB GLN A 31 -2.509 1.109 1.998 1.00 0.54 C ATOM 380 CG GLN A 31 -1.539 1.969 2.797 1.00 0.61 C ATOM 381 CD GLN A 31 -2.117 2.449 4.114 1.00 0.84 C ATOM 382 OE1 GLN A 31 -3.317 2.691 4.231 1.00 1.16 O ATOM 383 NE2 GLN A 31 -1.261 2.592 5.119 1.00 1.16 N ATOM 0 H GLN A 31 -3.673 2.518 -0.293 1.00 0.50 H new ATOM 0 HA GLN A 31 -1.217 1.017 0.290 1.00 0.51 H new ATOM 0 HB2 GLN A 31 -3.527 1.434 2.211 1.00 0.54 H new ATOM 0 HB3 GLN A 31 -2.427 0.076 2.336 1.00 0.54 H new ATOM 0 HG2 GLN A 31 -0.632 1.397 2.992 1.00 0.61 H new ATOM 0 HG3 GLN A 31 -1.249 2.832 2.198 1.00 0.61 H new ATOM 0 HE21 GLN A 31 -0.273 2.381 4.981 1.00 1.16 H new ATOM 0 HE22 GLN A 31 -1.592 2.913 6.029 1.00 1.16 H new ATOM 392 N VAL A 32 -2.308 -0.827 -0.910 1.00 0.49 N ATOM 393 CA VAL A 32 -2.902 -1.945 -1.637 1.00 0.51 C ATOM 394 C VAL A 32 -2.653 -3.272 -0.921 1.00 0.50 C ATOM 395 O VAL A 32 -1.526 -3.763 -0.872 1.00 0.61 O ATOM 396 CB VAL A 32 -2.352 -2.035 -3.078 1.00 0.56 C ATOM 397 CG1 VAL A 32 -3.129 -3.063 -3.891 1.00 0.62 C ATOM 398 CG2 VAL A 32 -2.395 -0.675 -3.756 1.00 0.59 C ATOM 0 H VAL A 32 -1.293 -0.766 -0.993 1.00 0.49 H new ATOM 0 HA VAL A 32 -3.975 -1.759 -1.676 1.00 0.51 H new ATOM 0 HB VAL A 32 -1.312 -2.358 -3.023 1.00 0.56 H new ATOM 0 HG11 VAL A 32 -2.724 -3.109 -4.902 1.00 0.62 H new ATOM 0 HG12 VAL A 32 -3.040 -4.042 -3.420 1.00 0.62 H new ATOM 0 HG13 VAL A 32 -4.179 -2.775 -3.934 1.00 0.62 H new ATOM 0 HG21 VAL A 32 -2.003 -0.761 -4.770 1.00 0.59 H new ATOM 0 HG22 VAL A 32 -3.425 -0.320 -3.794 1.00 0.59 H new ATOM 0 HG23 VAL A 32 -1.788 0.032 -3.191 1.00 0.59 H new ATOM 408 N PHE A 33 -3.723 -3.845 -0.381 1.00 0.48 N ATOM 409 CA PHE A 33 -3.655 -5.113 0.337 1.00 0.49 C ATOM 410 C PHE A 33 -4.177 -6.255 -0.529 1.00 0.52 C ATOM 411 O PHE A 33 -5.265 -6.160 -1.100 1.00 0.57 O ATOM 412 CB PHE A 33 -4.485 -5.032 1.621 1.00 0.52 C ATOM 413 CG PHE A 33 -3.843 -4.239 2.724 1.00 0.53 C ATOM 414 CD1 PHE A 33 -3.987 -2.859 2.785 1.00 0.60 C ATOM 415 CD2 PHE A 33 -3.101 -4.873 3.705 1.00 0.63 C ATOM 416 CE1 PHE A 33 -3.399 -2.132 3.802 1.00 0.68 C ATOM 417 CE2 PHE A 33 -2.509 -4.152 4.723 1.00 0.73 C ATOM 418 CZ PHE A 33 -2.660 -2.780 4.773 1.00 0.72 C ATOM 0 H PHE A 33 -4.660 -3.445 -0.428 1.00 0.48 H new ATOM 0 HA PHE A 33 -2.612 -5.307 0.585 1.00 0.49 H new ATOM 0 HB2 PHE A 33 -5.453 -4.589 1.387 1.00 0.52 H new ATOM 0 HB3 PHE A 33 -4.676 -6.043 1.980 1.00 0.52 H new ATOM 0 HD1 PHE A 33 -4.565 -2.349 2.029 1.00 0.60 H new ATOM 0 HD2 PHE A 33 -2.983 -5.946 3.674 1.00 0.63 H new ATOM 0 HE1 PHE A 33 -3.517 -1.059 3.838 1.00 0.68 H new ATOM 0 HE2 PHE A 33 -1.929 -4.660 5.479 1.00 0.73 H new ATOM 0 HZ PHE A 33 -2.201 -2.214 5.570 1.00 0.72 H new ATOM 428 N ALA A 34 -3.398 -7.331 -0.631 1.00 0.53 N ATOM 429 CA ALA A 34 -3.807 -8.488 -1.422 1.00 0.58 C ATOM 430 C ALA A 34 -4.467 -9.554 -0.542 1.00 0.58 C ATOM 431 O ALA A 34 -4.956 -9.252 0.548 1.00 0.62 O ATOM 432 CB ALA A 34 -2.613 -9.075 -2.160 1.00 0.66 C ATOM 0 H ALA A 34 -2.488 -7.425 -0.180 1.00 0.53 H new ATOM 0 HA ALA A 34 -4.542 -8.153 -2.154 1.00 0.58 H new ATOM 0 HB1 ALA A 34 -2.935 -9.937 -2.745 1.00 0.66 H new ATOM 0 HB2 ALA A 34 -2.190 -8.322 -2.825 1.00 0.66 H new ATOM 0 HB3 ALA A 34 -1.857 -9.387 -1.439 1.00 0.66 H new ATOM 438 N ILE A 35 -4.482 -10.794 -1.030 1.00 0.63 N ATOM 439 CA ILE A 35 -5.076 -11.912 -0.300 1.00 0.65 C ATOM 440 C ILE A 35 -4.248 -12.261 0.938 1.00 0.62 C ATOM 441 O ILE A 35 -3.063 -12.583 0.837 1.00 0.68 O ATOM 442 CB ILE A 35 -5.203 -13.159 -1.205 1.00 0.77 C ATOM 443 CG1 ILE A 35 -6.112 -12.854 -2.402 1.00 0.91 C ATOM 444 CG2 ILE A 35 -5.734 -14.352 -0.418 1.00 0.80 C ATOM 445 CD1 ILE A 35 -6.150 -13.957 -3.438 1.00 1.14 C ATOM 0 H ILE A 35 -4.086 -11.050 -1.935 1.00 0.63 H new ATOM 0 HA ILE A 35 -6.072 -11.602 0.017 1.00 0.65 H new ATOM 0 HB ILE A 35 -4.211 -13.417 -1.576 1.00 0.77 H new ATOM 0 HG12 ILE A 35 -7.124 -12.673 -2.041 1.00 0.91 H new ATOM 0 HG13 ILE A 35 -5.774 -11.933 -2.878 1.00 0.91 H new ATOM 0 HG21 ILE A 35 -5.814 -15.216 -1.077 1.00 0.80 H new ATOM 0 HG22 ILE A 35 -5.051 -14.582 0.400 1.00 0.80 H new ATOM 0 HG23 ILE A 35 -6.717 -14.112 -0.013 1.00 0.80 H new ATOM 0 HD11 ILE A 35 -6.814 -13.668 -4.253 1.00 1.14 H new ATOM 0 HD12 ILE A 35 -5.146 -14.124 -3.829 1.00 1.14 H new ATOM 0 HD13 ILE A 35 -6.518 -14.875 -2.979 1.00 1.14 H new ATOM 457 N GLY A 36 -4.884 -12.189 2.105 1.00 0.61 N ATOM 458 CA GLY A 36 -4.204 -12.499 3.348 1.00 0.63 C ATOM 459 C GLY A 36 -4.956 -13.522 4.180 1.00 0.65 C ATOM 460 O GLY A 36 -5.876 -14.173 3.682 1.00 0.66 O ATOM 0 H GLY A 36 -5.862 -11.920 2.210 1.00 0.61 H new ATOM 0 HA2 GLY A 36 -3.205 -12.877 3.128 1.00 0.63 H new ATOM 0 HA3 GLY A 36 -4.078 -11.585 3.928 1.00 0.63 H new ATOM 464 N PRO A 37 -4.583 -13.688 5.463 1.00 0.69 N ATOM 465 CA PRO A 37 -5.228 -14.641 6.373 1.00 0.74 C ATOM 466 C PRO A 37 -6.569 -14.134 6.910 1.00 0.72 C ATOM 467 O PRO A 37 -7.305 -14.876 7.561 1.00 0.77 O ATOM 468 CB PRO A 37 -4.219 -14.781 7.528 1.00 0.81 C ATOM 469 CG PRO A 37 -3.013 -13.991 7.130 1.00 0.79 C ATOM 470 CD PRO A 37 -3.488 -12.977 6.131 1.00 0.71 C ATOM 0 HA PRO A 37 -5.459 -15.578 5.867 1.00 0.74 H new ATOM 0 HB2 PRO A 37 -4.640 -14.404 8.460 1.00 0.81 H new ATOM 0 HB3 PRO A 37 -3.961 -15.827 7.694 1.00 0.81 H new ATOM 0 HG2 PRO A 37 -2.564 -13.504 7.995 1.00 0.79 H new ATOM 0 HG3 PRO A 37 -2.250 -14.637 6.696 1.00 0.79 H new ATOM 0 HD2 PRO A 37 -3.831 -12.061 6.612 1.00 0.71 H new ATOM 0 HD3 PRO A 37 -2.701 -12.694 5.432 1.00 0.71 H new ATOM 478 N GLN A 38 -6.881 -12.871 6.632 1.00 0.66 N ATOM 479 CA GLN A 38 -8.136 -12.267 7.103 1.00 0.65 C ATOM 480 C GLN A 38 -9.117 -11.953 5.961 1.00 0.61 C ATOM 481 O GLN A 38 -10.305 -11.756 6.190 1.00 0.62 O ATOM 482 CB GLN A 38 -7.812 -11.001 7.906 1.00 0.65 C ATOM 483 CG GLN A 38 -7.121 -9.903 7.092 1.00 0.60 C ATOM 484 CD GLN A 38 -6.837 -8.689 7.970 1.00 0.63 C ATOM 485 OE1 GLN A 38 -6.098 -8.733 8.938 1.00 0.73 O ATOM 486 NE2 GLN A 38 -7.390 -7.564 7.586 1.00 0.61 N ATOM 0 H GLN A 38 -6.289 -12.244 6.086 1.00 0.66 H new ATOM 0 HA GLN A 38 -8.639 -12.996 7.738 1.00 0.65 H new ATOM 0 HB2 GLN A 38 -8.737 -10.602 8.323 1.00 0.65 H new ATOM 0 HB3 GLN A 38 -7.174 -11.271 8.747 1.00 0.65 H new ATOM 0 HG2 GLN A 38 -6.189 -10.283 6.674 1.00 0.60 H new ATOM 0 HG3 GLN A 38 -7.752 -9.613 6.252 1.00 0.60 H new ATOM 0 HE21 GLN A 38 -8.005 -7.550 6.773 1.00 0.61 H new ATOM 0 HE22 GLN A 38 -7.205 -6.703 8.100 1.00 0.61 H new ATOM 495 N CYS A 39 -8.583 -11.845 4.746 1.00 0.57 N ATOM 496 CA CYS A 39 -9.393 -11.502 3.584 1.00 0.55 C ATOM 497 C CYS A 39 -8.956 -12.295 2.357 1.00 0.61 C ATOM 498 O CYS A 39 -7.764 -12.438 2.093 1.00 0.71 O ATOM 499 CB CYS A 39 -9.261 -9.999 3.306 1.00 0.49 C ATOM 500 SG CYS A 39 -10.673 -9.256 2.425 1.00 0.47 S ATOM 0 H CYS A 39 -7.594 -11.990 4.543 1.00 0.57 H new ATOM 0 HA CYS A 39 -10.432 -11.753 3.795 1.00 0.55 H new ATOM 0 HB2 CYS A 39 -9.129 -9.479 4.255 1.00 0.49 H new ATOM 0 HB3 CYS A 39 -8.357 -9.830 2.721 1.00 0.49 H new ATOM 505 N SER A 40 -9.929 -12.802 1.607 1.00 0.67 N ATOM 506 CA SER A 40 -9.642 -13.574 0.403 1.00 0.78 C ATOM 507 C SER A 40 -9.888 -12.728 -0.847 1.00 0.74 C ATOM 508 O SER A 40 -9.997 -13.250 -1.956 1.00 0.97 O ATOM 509 CB SER A 40 -10.507 -14.838 0.370 1.00 0.92 C ATOM 510 OG SER A 40 -10.027 -15.766 -0.587 1.00 1.07 O ATOM 0 H SER A 40 -10.922 -12.692 1.811 1.00 0.67 H new ATOM 0 HA SER A 40 -8.592 -13.867 0.418 1.00 0.78 H new ATOM 0 HB2 SER A 40 -10.515 -15.301 1.357 1.00 0.92 H new ATOM 0 HB3 SER A 40 -11.537 -14.570 0.135 1.00 0.92 H new ATOM 0 HG SER A 40 -9.782 -15.291 -1.409 1.00 1.07 H new ATOM 516 N LYS A 41 -9.964 -11.412 -0.653 1.00 0.72 N ATOM 517 CA LYS A 41 -10.205 -10.482 -1.750 1.00 0.69 C ATOM 518 C LYS A 41 -9.290 -9.262 -1.641 1.00 0.68 C ATOM 519 O LYS A 41 -8.841 -8.907 -0.550 1.00 0.70 O ATOM 520 CB LYS A 41 -11.671 -10.037 -1.737 1.00 0.68 C ATOM 521 CG LYS A 41 -12.081 -9.220 -2.953 1.00 0.77 C ATOM 522 CD LYS A 41 -13.375 -8.465 -2.706 1.00 0.88 C ATOM 523 CE LYS A 41 -13.700 -7.525 -3.856 1.00 1.07 C ATOM 524 NZ LYS A 41 -14.877 -6.663 -3.556 1.00 1.29 N ATOM 0 H LYS A 41 -9.861 -10.967 0.259 1.00 0.72 H new ATOM 0 HA LYS A 41 -9.987 -10.991 -2.689 1.00 0.69 H new ATOM 0 HB2 LYS A 41 -12.307 -10.920 -1.674 1.00 0.68 H new ATOM 0 HB3 LYS A 41 -11.853 -9.448 -0.838 1.00 0.68 H new ATOM 0 HG2 LYS A 41 -11.289 -8.514 -3.202 1.00 0.77 H new ATOM 0 HG3 LYS A 41 -12.202 -9.880 -3.812 1.00 0.77 H new ATOM 0 HD2 LYS A 41 -14.192 -9.175 -2.573 1.00 0.88 H new ATOM 0 HD3 LYS A 41 -13.294 -7.895 -1.781 1.00 0.88 H new ATOM 0 HE2 LYS A 41 -12.835 -6.897 -4.066 1.00 1.07 H new ATOM 0 HE3 LYS A 41 -13.897 -8.108 -4.756 1.00 1.07 H new ATOM 0 HZ1 LYS A 41 -15.065 -6.038 -4.365 1.00 1.29 H new ATOM 0 HZ2 LYS A 41 -15.710 -7.261 -3.380 1.00 1.29 H new ATOM 0 HZ3 LYS A 41 -14.680 -6.088 -2.712 1.00 1.29 H new ATOM 538 N VAL A 42 -9.014 -8.629 -2.780 1.00 0.67 N ATOM 539 CA VAL A 42 -8.167 -7.442 -2.817 1.00 0.68 C ATOM 540 C VAL A 42 -8.969 -6.188 -2.472 1.00 0.67 C ATOM 541 O VAL A 42 -10.056 -5.962 -3.009 1.00 0.75 O ATOM 542 CB VAL A 42 -7.503 -7.259 -4.200 1.00 0.74 C ATOM 543 CG1 VAL A 42 -6.464 -8.341 -4.443 1.00 0.80 C ATOM 544 CG2 VAL A 42 -8.547 -7.264 -5.310 1.00 0.83 C ATOM 0 H VAL A 42 -9.367 -8.921 -3.691 1.00 0.67 H new ATOM 0 HA VAL A 42 -7.385 -7.587 -2.072 1.00 0.68 H new ATOM 0 HB VAL A 42 -7.002 -6.291 -4.208 1.00 0.74 H new ATOM 0 HG11 VAL A 42 -6.008 -8.194 -5.422 1.00 0.80 H new ATOM 0 HG12 VAL A 42 -5.695 -8.286 -3.673 1.00 0.80 H new ATOM 0 HG13 VAL A 42 -6.943 -9.320 -4.409 1.00 0.80 H new ATOM 0 HG21 VAL A 42 -8.054 -7.134 -6.273 1.00 0.83 H new ATOM 0 HG22 VAL A 42 -9.082 -8.213 -5.302 1.00 0.83 H new ATOM 0 HG23 VAL A 42 -9.252 -6.448 -5.150 1.00 0.83 H new ATOM 554 N GLU A 43 -8.434 -5.378 -1.563 1.00 0.60 N ATOM 555 CA GLU A 43 -9.106 -4.150 -1.146 1.00 0.59 C ATOM 556 C GLU A 43 -8.120 -2.988 -1.134 1.00 0.58 C ATOM 557 O GLU A 43 -7.034 -3.092 -0.561 1.00 0.63 O ATOM 558 CB GLU A 43 -9.736 -4.336 0.238 1.00 0.60 C ATOM 559 CG GLU A 43 -10.530 -5.626 0.368 1.00 0.66 C ATOM 560 CD GLU A 43 -11.097 -5.840 1.750 1.00 0.70 C ATOM 561 OE1 GLU A 43 -10.328 -5.765 2.729 1.00 0.75 O ATOM 562 OE2 GLU A 43 -12.312 -6.094 1.852 1.00 0.79 O ATOM 0 H GLU A 43 -7.540 -5.548 -1.102 1.00 0.60 H new ATOM 0 HA GLU A 43 -9.899 -3.923 -1.859 1.00 0.59 H new ATOM 0 HB2 GLU A 43 -8.949 -4.324 0.992 1.00 0.60 H new ATOM 0 HB3 GLU A 43 -10.392 -3.491 0.448 1.00 0.60 H new ATOM 0 HG2 GLU A 43 -11.346 -5.617 -0.355 1.00 0.66 H new ATOM 0 HG3 GLU A 43 -9.887 -6.468 0.112 1.00 0.66 H new ATOM 569 N VAL A 44 -8.498 -1.879 -1.766 1.00 0.55 N ATOM 570 CA VAL A 44 -7.623 -0.714 -1.837 1.00 0.56 C ATOM 571 C VAL A 44 -8.008 0.361 -0.824 1.00 0.54 C ATOM 572 O VAL A 44 -9.010 1.059 -0.971 1.00 0.57 O ATOM 573 CB VAL A 44 -7.591 -0.094 -3.250 1.00 0.60 C ATOM 574 CG1 VAL A 44 -6.571 -0.806 -4.122 1.00 0.66 C ATOM 575 CG2 VAL A 44 -8.964 -0.140 -3.900 1.00 0.64 C ATOM 0 H VAL A 44 -9.398 -1.764 -2.233 1.00 0.55 H new ATOM 0 HA VAL A 44 -6.626 -1.082 -1.593 1.00 0.56 H new ATOM 0 HB VAL A 44 -7.298 0.951 -3.150 1.00 0.60 H new ATOM 0 HG11 VAL A 44 -6.563 -0.355 -5.114 1.00 0.66 H new ATOM 0 HG12 VAL A 44 -5.582 -0.714 -3.674 1.00 0.66 H new ATOM 0 HG13 VAL A 44 -6.836 -1.860 -4.205 1.00 0.66 H new ATOM 0 HG21 VAL A 44 -8.911 0.304 -4.894 1.00 0.64 H new ATOM 0 HG22 VAL A 44 -9.293 -1.176 -3.982 1.00 0.64 H new ATOM 0 HG23 VAL A 44 -9.674 0.419 -3.291 1.00 0.64 H new ATOM 585 N VAL A 45 -7.198 0.465 0.216 1.00 0.51 N ATOM 586 CA VAL A 45 -7.392 1.472 1.279 1.00 0.50 C ATOM 587 C VAL A 45 -6.572 2.749 0.984 1.00 0.51 C ATOM 588 O VAL A 45 -5.601 2.751 0.224 1.00 0.54 O ATOM 589 CB VAL A 45 -7.126 0.901 2.693 1.00 0.51 C ATOM 590 CG1 VAL A 45 -7.605 -0.528 2.839 1.00 0.69 C ATOM 591 CG2 VAL A 45 -5.674 0.716 3.069 1.00 0.67 C ATOM 0 H VAL A 45 -6.387 -0.137 0.359 1.00 0.51 H new ATOM 0 HA VAL A 45 -8.444 1.756 1.275 1.00 0.50 H new ATOM 0 HB VAL A 45 -7.633 1.649 3.303 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -7.395 -0.881 3.849 1.00 0.69 H new ATOM 0 HG12 VAL A 45 -8.678 -0.572 2.655 1.00 0.69 H new ATOM 0 HG13 VAL A 45 -7.087 -1.161 2.118 1.00 0.69 H new ATOM 0 HG21 VAL A 45 -5.608 0.311 4.079 1.00 0.67 H new ATOM 0 HG22 VAL A 45 -5.202 0.025 2.370 1.00 0.67 H new ATOM 0 HG23 VAL A 45 -5.163 1.678 3.030 1.00 0.67 H new ATOM 601 N ALA A 46 -7.086 3.869 1.458 1.00 0.52 N ATOM 602 CA ALA A 46 -6.436 5.181 1.270 1.00 0.54 C ATOM 603 C ALA A 46 -6.545 6.038 2.535 1.00 0.55 C ATOM 604 O ALA A 46 -7.448 5.847 3.354 1.00 0.55 O ATOM 605 CB ALA A 46 -7.070 5.910 0.081 1.00 0.58 C ATOM 0 H ALA A 46 -7.960 3.910 1.983 1.00 0.52 H new ATOM 0 HA ALA A 46 -5.378 5.013 1.068 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -6.586 6.878 -0.053 1.00 0.58 H new ATOM 0 HB2 ALA A 46 -6.943 5.313 -0.822 1.00 0.58 H new ATOM 0 HB3 ALA A 46 -8.133 6.059 0.270 1.00 0.58 H new ATOM 611 N SER A 47 -5.585 6.939 2.687 1.00 0.57 N ATOM 612 CA SER A 47 -5.560 7.897 3.807 1.00 0.60 C ATOM 613 C SER A 47 -5.497 9.331 3.280 1.00 0.64 C ATOM 614 O SER A 47 -4.699 9.672 2.397 1.00 0.65 O ATOM 615 CB SER A 47 -4.360 7.658 4.722 1.00 0.63 C ATOM 616 OG SER A 47 -4.349 6.300 5.169 1.00 0.62 O ATOM 0 H SER A 47 -4.799 7.035 2.044 1.00 0.57 H new ATOM 0 HA SER A 47 -6.476 7.748 4.379 1.00 0.60 H new ATOM 0 HB2 SER A 47 -3.436 7.882 4.189 1.00 0.63 H new ATOM 0 HB3 SER A 47 -4.405 8.331 5.578 1.00 0.63 H new ATOM 0 HG SER A 47 -3.576 6.154 5.754 1.00 0.62 H new ATOM 622 N LEU A 48 -6.337 10.181 3.858 1.00 0.66 N ATOM 623 CA LEU A 48 -6.404 11.587 3.480 1.00 0.71 C ATOM 624 C LEU A 48 -5.308 12.395 4.169 1.00 0.74 C ATOM 625 O LEU A 48 -4.638 11.906 5.080 1.00 0.74 O ATOM 626 CB LEU A 48 -7.774 12.171 3.840 1.00 0.72 C ATOM 627 CG LEU A 48 -8.884 11.949 2.808 1.00 0.74 C ATOM 628 CD1 LEU A 48 -9.346 10.501 2.810 1.00 0.72 C ATOM 629 CD2 LEU A 48 -10.054 12.884 3.082 1.00 0.79 C ATOM 0 H LEU A 48 -6.988 9.917 4.598 1.00 0.66 H new ATOM 0 HA LEU A 48 -6.256 11.649 2.402 1.00 0.71 H new ATOM 0 HB2 LEU A 48 -8.094 11.740 4.789 1.00 0.72 H new ATOM 0 HB3 LEU A 48 -7.661 13.243 3.999 1.00 0.72 H new ATOM 0 HG LEU A 48 -8.482 12.173 1.820 1.00 0.74 H new ATOM 0 HD11 LEU A 48 -10.134 10.370 2.069 1.00 0.72 H new ATOM 0 HD12 LEU A 48 -8.506 9.851 2.566 1.00 0.72 H new ATOM 0 HD13 LEU A 48 -9.729 10.243 3.797 1.00 0.72 H new ATOM 0 HD21 LEU A 48 -10.836 12.716 2.341 1.00 0.79 H new ATOM 0 HD22 LEU A 48 -10.450 12.689 4.078 1.00 0.79 H new ATOM 0 HD23 LEU A 48 -9.715 13.918 3.023 1.00 0.79 H new ATOM 641 N LYS A 49 -5.137 13.638 3.729 1.00 0.80 N ATOM 642 CA LYS A 49 -4.132 14.528 4.300 1.00 0.86 C ATOM 643 C LYS A 49 -4.609 15.095 5.639 1.00 0.87 C ATOM 644 O LYS A 49 -3.804 15.518 6.472 1.00 0.93 O ATOM 645 CB LYS A 49 -3.822 15.664 3.317 1.00 0.94 C ATOM 646 CG LYS A 49 -2.723 16.610 3.781 1.00 1.01 C ATOM 647 CD LYS A 49 -1.373 15.913 3.865 1.00 1.07 C ATOM 648 CE LYS A 49 -0.310 16.829 4.452 1.00 1.20 C ATOM 649 NZ LYS A 49 -0.652 17.265 5.835 1.00 1.23 N ATOM 0 H LYS A 49 -5.684 14.053 2.975 1.00 0.80 H new ATOM 0 HA LYS A 49 -3.221 13.957 4.479 1.00 0.86 H new ATOM 0 HB2 LYS A 49 -3.533 15.231 2.359 1.00 0.94 H new ATOM 0 HB3 LYS A 49 -4.732 16.239 3.145 1.00 0.94 H new ATOM 0 HG2 LYS A 49 -2.655 17.452 3.093 1.00 1.01 H new ATOM 0 HG3 LYS A 49 -2.983 17.017 4.758 1.00 1.01 H new ATOM 0 HD2 LYS A 49 -1.462 15.017 4.479 1.00 1.07 H new ATOM 0 HD3 LYS A 49 -1.067 15.589 2.870 1.00 1.07 H new ATOM 0 HE2 LYS A 49 0.649 16.312 4.462 1.00 1.20 H new ATOM 0 HE3 LYS A 49 -0.193 17.705 3.814 1.00 1.20 H new ATOM 0 HZ1 LYS A 49 0.129 17.832 6.223 1.00 1.23 H new ATOM 0 HZ2 LYS A 49 -1.519 17.839 5.814 1.00 1.23 H new ATOM 0 HZ3 LYS A 49 -0.805 16.429 6.435 1.00 1.23 H new ATOM 663 N ASN A 50 -5.923 15.080 5.842 1.00 0.84 N ATOM 664 CA ASN A 50 -6.522 15.593 7.071 1.00 0.88 C ATOM 665 C ASN A 50 -6.377 14.595 8.220 1.00 0.84 C ATOM 666 O ASN A 50 -6.464 14.968 9.389 1.00 1.01 O ATOM 667 CB ASN A 50 -8.000 15.920 6.842 1.00 0.90 C ATOM 668 CG ASN A 50 -8.198 16.937 5.732 1.00 0.98 C ATOM 669 OD1 ASN A 50 -7.358 17.809 5.516 1.00 1.05 O ATOM 670 ND2 ASN A 50 -9.314 16.827 5.020 1.00 1.01 N ATOM 0 H ASN A 50 -6.597 14.716 5.168 1.00 0.84 H new ATOM 0 HA ASN A 50 -5.991 16.504 7.347 1.00 0.88 H new ATOM 0 HB2 ASN A 50 -8.538 15.005 6.594 1.00 0.90 H new ATOM 0 HB3 ASN A 50 -8.433 16.304 7.766 1.00 0.90 H new ATOM 0 HD21 ASN A 50 -9.501 17.481 4.260 1.00 1.01 H new ATOM 0 HD22 ASN A 50 -9.984 16.088 5.233 1.00 1.01 H new ATOM 677 N GLY A 51 -6.149 13.328 7.878 1.00 0.70 N ATOM 678 CA GLY A 51 -5.991 12.299 8.893 1.00 0.69 C ATOM 679 C GLY A 51 -7.175 11.353 8.942 1.00 0.64 C ATOM 680 O GLY A 51 -7.617 10.957 10.021 1.00 0.69 O ATOM 0 H GLY A 51 -6.071 12.996 6.917 1.00 0.70 H new ATOM 0 HA2 GLY A 51 -5.083 11.731 8.693 1.00 0.69 H new ATOM 0 HA3 GLY A 51 -5.864 12.770 9.868 1.00 0.69 H new ATOM 684 N LYS A 52 -7.682 10.983 7.769 1.00 0.60 N ATOM 685 CA LYS A 52 -8.831 10.087 7.678 1.00 0.57 C ATOM 686 C LYS A 52 -8.504 8.852 6.846 1.00 0.53 C ATOM 687 O LYS A 52 -7.873 8.952 5.799 1.00 0.62 O ATOM 688 CB LYS A 52 -10.026 10.814 7.059 1.00 0.62 C ATOM 689 CG LYS A 52 -10.488 12.017 7.862 1.00 0.70 C ATOM 690 CD LYS A 52 -11.503 12.849 7.094 1.00 0.86 C ATOM 691 CE LYS A 52 -12.787 12.075 6.831 1.00 0.96 C ATOM 692 NZ LYS A 52 -13.778 12.896 6.081 1.00 1.19 N ATOM 0 H LYS A 52 -7.315 11.290 6.868 1.00 0.60 H new ATOM 0 HA LYS A 52 -9.082 9.769 8.690 1.00 0.57 H new ATOM 0 HB2 LYS A 52 -9.761 11.139 6.053 1.00 0.62 H new ATOM 0 HB3 LYS A 52 -10.855 10.114 6.960 1.00 0.62 H new ATOM 0 HG2 LYS A 52 -10.929 11.681 8.801 1.00 0.70 H new ATOM 0 HG3 LYS A 52 -9.628 12.636 8.117 1.00 0.70 H new ATOM 0 HD2 LYS A 52 -11.733 13.753 7.658 1.00 0.86 H new ATOM 0 HD3 LYS A 52 -11.069 13.166 6.146 1.00 0.86 H new ATOM 0 HE2 LYS A 52 -12.559 11.172 6.265 1.00 0.96 H new ATOM 0 HE3 LYS A 52 -13.221 11.756 7.779 1.00 0.96 H new ATOM 0 HZ1 LYS A 52 -14.640 12.337 5.919 1.00 1.19 H new ATOM 0 HZ2 LYS A 52 -14.014 13.745 6.633 1.00 1.19 H new ATOM 0 HZ3 LYS A 52 -13.373 13.179 5.166 1.00 1.19 H new ATOM 706 N GLU A 53 -8.945 7.691 7.318 1.00 0.52 N ATOM 707 CA GLU A 53 -8.708 6.436 6.613 1.00 0.49 C ATOM 708 C GLU A 53 -10.023 5.812 6.159 1.00 0.49 C ATOM 709 O GLU A 53 -10.905 5.529 6.972 1.00 0.51 O ATOM 710 CB GLU A 53 -7.937 5.463 7.510 1.00 0.49 C ATOM 711 CG GLU A 53 -8.469 5.392 8.933 1.00 0.63 C ATOM 712 CD GLU A 53 -7.641 4.492 9.829 1.00 0.63 C ATOM 713 OE1 GLU A 53 -7.947 3.284 9.903 1.00 0.69 O ATOM 714 OE2 GLU A 53 -6.690 4.999 10.463 1.00 0.64 O ATOM 0 H GLU A 53 -9.469 7.593 8.187 1.00 0.52 H new ATOM 0 HA GLU A 53 -8.109 6.648 5.727 1.00 0.49 H new ATOM 0 HB2 GLU A 53 -7.974 4.468 7.067 1.00 0.49 H new ATOM 0 HB3 GLU A 53 -6.889 5.761 7.538 1.00 0.49 H new ATOM 0 HG2 GLU A 53 -8.492 6.396 9.357 1.00 0.63 H new ATOM 0 HG3 GLU A 53 -9.497 5.030 8.913 1.00 0.63 H new ATOM 721 N ILE A 54 -10.157 5.617 4.853 1.00 0.47 N ATOM 722 CA ILE A 54 -11.382 5.018 4.284 1.00 0.47 C ATOM 723 C ILE A 54 -11.018 3.786 3.446 1.00 0.45 C ATOM 724 O ILE A 54 -9.842 3.470 3.244 1.00 0.43 O ATOM 725 CB ILE A 54 -12.189 6.067 3.494 1.00 0.49 C ATOM 726 CG1 ILE A 54 -11.385 6.593 2.289 1.00 0.48 C ATOM 727 CG2 ILE A 54 -12.682 7.183 4.432 1.00 0.53 C ATOM 728 CD1 ILE A 54 -12.170 7.509 1.345 1.00 0.51 C ATOM 0 H ILE A 54 -9.445 5.859 4.164 1.00 0.47 H new ATOM 0 HA ILE A 54 -12.032 4.679 5.091 1.00 0.47 H new ATOM 0 HB ILE A 54 -13.078 5.594 3.077 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -10.515 7.135 2.659 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -11.011 5.742 1.720 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -13.250 7.916 3.859 1.00 0.53 H new ATOM 0 HG22 ILE A 54 -13.320 6.754 5.205 1.00 0.53 H new ATOM 0 HG23 ILE A 54 -11.826 7.671 4.898 1.00 0.53 H new ATOM 0 HD11 ILE A 54 -11.524 7.830 0.528 1.00 0.51 H new ATOM 0 HD12 ILE A 54 -13.025 6.968 0.940 1.00 0.51 H new ATOM 0 HD13 ILE A 54 -12.521 8.383 1.894 1.00 0.51 H new ATOM 740 N CYS A 55 -12.053 3.171 2.897 1.00 0.46 N ATOM 741 CA CYS A 55 -11.906 2.005 2.016 1.00 0.44 C ATOM 742 C CYS A 55 -12.651 2.260 0.716 1.00 0.46 C ATOM 743 O CYS A 55 -13.794 2.709 0.702 1.00 0.49 O ATOM 744 CB CYS A 55 -12.496 0.769 2.681 1.00 0.45 C ATOM 745 SG CYS A 55 -11.542 0.189 4.128 1.00 0.43 S ATOM 0 H CYS A 55 -13.020 3.459 3.044 1.00 0.46 H new ATOM 0 HA CYS A 55 -10.846 1.843 1.820 1.00 0.44 H new ATOM 0 HB2 CYS A 55 -13.517 0.988 2.994 1.00 0.45 H new ATOM 0 HB3 CYS A 55 -12.553 -0.036 1.948 1.00 0.45 H new ATOM 750 N LEU A 56 -12.005 1.870 -0.358 1.00 0.46 N ATOM 751 CA LEU A 56 -12.555 2.063 -1.696 1.00 0.49 C ATOM 752 C LEU A 56 -12.854 0.691 -2.308 1.00 0.50 C ATOM 753 O LEU A 56 -12.203 -0.311 -1.990 1.00 0.48 O ATOM 754 CB LEU A 56 -11.482 2.875 -2.437 1.00 0.49 C ATOM 755 CG LEU A 56 -11.108 4.250 -1.875 1.00 0.48 C ATOM 756 CD1 LEU A 56 -10.202 4.965 -2.879 1.00 0.49 C ATOM 757 CD2 LEU A 56 -12.327 5.120 -1.558 1.00 0.51 C ATOM 0 H LEU A 56 -11.093 1.414 -0.339 1.00 0.46 H new ATOM 0 HA LEU A 56 -13.502 2.601 -1.734 1.00 0.49 H new ATOM 0 HB2 LEU A 56 -10.575 2.272 -2.477 1.00 0.49 H new ATOM 0 HB3 LEU A 56 -11.818 3.014 -3.465 1.00 0.49 H new ATOM 0 HG LEU A 56 -10.589 4.090 -0.930 1.00 0.48 H new ATOM 0 HD11 LEU A 56 -9.929 5.946 -2.489 1.00 0.49 H new ATOM 0 HD12 LEU A 56 -9.300 4.375 -3.040 1.00 0.49 H new ATOM 0 HD13 LEU A 56 -10.730 5.085 -3.825 1.00 0.49 H new ATOM 0 HD21 LEU A 56 -11.996 6.081 -1.163 1.00 0.51 H new ATOM 0 HD22 LEU A 56 -12.905 5.281 -2.468 1.00 0.51 H new ATOM 0 HD23 LEU A 56 -12.949 4.618 -0.817 1.00 0.51 H new ATOM 769 N ASP A 57 -13.807 0.634 -3.228 1.00 0.53 N ATOM 770 CA ASP A 57 -14.128 -0.628 -3.892 1.00 0.54 C ATOM 771 C ASP A 57 -13.643 -0.606 -5.342 1.00 0.57 C ATOM 772 O ASP A 57 -14.100 0.219 -6.134 1.00 0.62 O ATOM 773 CB ASP A 57 -15.632 -0.897 -3.858 1.00 0.59 C ATOM 774 CG ASP A 57 -15.949 -2.371 -3.692 1.00 0.60 C ATOM 775 OD1 ASP A 57 -15.489 -3.178 -4.528 1.00 0.62 O ATOM 776 OD2 ASP A 57 -16.652 -2.721 -2.721 1.00 0.67 O ATOM 0 H ASP A 57 -14.366 1.432 -3.530 1.00 0.53 H new ATOM 0 HA ASP A 57 -13.618 -1.428 -3.354 1.00 0.54 H new ATOM 0 HB2 ASP A 57 -16.081 -0.336 -3.038 1.00 0.59 H new ATOM 0 HB3 ASP A 57 -16.085 -0.532 -4.779 1.00 0.59 H new ATOM 781 N PRO A 58 -12.708 -1.516 -5.710 1.00 0.58 N ATOM 782 CA PRO A 58 -12.169 -1.605 -7.084 1.00 0.64 C ATOM 783 C PRO A 58 -13.267 -1.861 -8.113 1.00 0.73 C ATOM 784 O PRO A 58 -13.075 -1.666 -9.315 1.00 0.86 O ATOM 785 CB PRO A 58 -11.212 -2.801 -7.022 1.00 0.68 C ATOM 786 CG PRO A 58 -10.892 -2.983 -5.581 1.00 0.63 C ATOM 787 CD PRO A 58 -12.103 -2.522 -4.819 1.00 0.59 C ATOM 0 HA PRO A 58 -11.688 -0.677 -7.393 1.00 0.64 H new ATOM 0 HB2 PRO A 58 -11.676 -3.696 -7.437 1.00 0.68 H new ATOM 0 HB3 PRO A 58 -10.309 -2.611 -7.603 1.00 0.68 H new ATOM 0 HG2 PRO A 58 -10.668 -4.027 -5.361 1.00 0.63 H new ATOM 0 HG3 PRO A 58 -10.013 -2.403 -5.302 1.00 0.63 H new ATOM 0 HD2 PRO A 58 -12.789 -3.345 -4.619 1.00 0.59 H new ATOM 0 HD3 PRO A 58 -11.831 -2.092 -3.855 1.00 0.59 H new ATOM 795 N GLU A 59 -14.411 -2.304 -7.609 1.00 0.69 N ATOM 796 CA GLU A 59 -15.600 -2.589 -8.424 1.00 0.81 C ATOM 797 C GLU A 59 -16.195 -1.339 -9.109 1.00 0.87 C ATOM 798 O GLU A 59 -17.004 -1.449 -10.030 1.00 0.96 O ATOM 799 CB GLU A 59 -16.644 -3.271 -7.533 1.00 0.84 C ATOM 800 CG GLU A 59 -17.817 -3.805 -8.355 1.00 1.11 C ATOM 801 CD GLU A 59 -18.850 -4.533 -7.501 1.00 1.18 C ATOM 802 OE1 GLU A 59 -19.399 -3.881 -6.585 1.00 1.35 O ATOM 803 OE2 GLU A 59 -19.052 -5.728 -7.790 1.00 1.29 O ATOM 0 H GLU A 59 -14.548 -2.480 -6.614 1.00 0.69 H new ATOM 0 HA GLU A 59 -15.297 -3.246 -9.239 1.00 0.81 H new ATOM 0 HB2 GLU A 59 -16.178 -4.091 -6.986 1.00 0.84 H new ATOM 0 HB3 GLU A 59 -17.011 -2.561 -6.791 1.00 0.84 H new ATOM 0 HG2 GLU A 59 -18.299 -2.976 -8.874 1.00 1.11 H new ATOM 0 HG3 GLU A 59 -17.440 -4.484 -9.120 1.00 1.11 H new ATOM 810 N ALA A 60 -15.812 -0.159 -8.640 1.00 0.84 N ATOM 811 CA ALA A 60 -16.321 1.100 -9.190 1.00 0.92 C ATOM 812 C ALA A 60 -15.296 1.726 -10.158 1.00 0.95 C ATOM 813 O ALA A 60 -14.122 1.871 -9.807 1.00 0.92 O ATOM 814 CB ALA A 60 -16.641 2.027 -8.021 1.00 0.91 C ATOM 0 H ALA A 60 -15.147 -0.042 -7.876 1.00 0.84 H new ATOM 0 HA ALA A 60 -17.227 0.926 -9.771 1.00 0.92 H new ATOM 0 HB1 ALA A 60 -17.023 2.974 -8.402 1.00 0.91 H new ATOM 0 HB2 ALA A 60 -17.393 1.562 -7.384 1.00 0.91 H new ATOM 0 HB3 ALA A 60 -15.736 2.207 -7.441 1.00 0.91 H new ATOM 820 N PRO A 61 -15.769 2.198 -11.319 1.00 1.04 N ATOM 821 CA PRO A 61 -14.917 2.803 -12.363 1.00 1.08 C ATOM 822 C PRO A 61 -14.254 4.116 -11.922 1.00 1.06 C ATOM 823 O PRO A 61 -13.041 4.264 -12.046 1.00 1.05 O ATOM 824 CB PRO A 61 -15.853 3.011 -13.553 1.00 1.20 C ATOM 825 CG PRO A 61 -17.220 3.223 -12.900 1.00 1.24 C ATOM 826 CD PRO A 61 -17.192 2.257 -11.717 1.00 1.13 C ATOM 0 HA PRO A 61 -14.074 2.155 -12.603 1.00 1.08 H new ATOM 0 HB2 PRO A 61 -15.556 3.872 -14.151 1.00 1.20 H new ATOM 0 HB3 PRO A 61 -15.855 2.147 -14.218 1.00 1.20 H new ATOM 0 HG2 PRO A 61 -17.356 4.255 -12.575 1.00 1.24 H new ATOM 0 HG3 PRO A 61 -18.035 2.995 -13.587 1.00 1.24 H new ATOM 0 HD2 PRO A 61 -17.818 2.613 -10.899 1.00 1.13 H new ATOM 0 HD3 PRO A 61 -17.566 1.273 -11.999 1.00 1.13 H new ATOM 834 N PHE A 62 -15.023 4.964 -11.231 1.00 1.08 N ATOM 835 CA PHE A 62 -14.513 6.238 -10.680 1.00 1.08 C ATOM 836 C PHE A 62 -13.379 6.011 -9.676 1.00 0.97 C ATOM 837 O PHE A 62 -12.476 6.832 -9.536 1.00 0.97 O ATOM 838 CB PHE A 62 -15.632 7.048 -10.015 1.00 1.15 C ATOM 839 CG PHE A 62 -16.238 6.355 -8.792 1.00 1.13 C ATOM 840 CD1 PHE A 62 -15.679 6.552 -7.536 1.00 1.08 C ATOM 841 CD2 PHE A 62 -17.361 5.556 -8.942 1.00 1.18 C ATOM 842 CE1 PHE A 62 -16.248 5.952 -6.424 1.00 1.10 C ATOM 843 CE2 PHE A 62 -17.939 4.968 -7.826 1.00 1.19 C ATOM 844 CZ PHE A 62 -17.377 5.158 -6.573 1.00 1.15 C ATOM 0 H PHE A 62 -16.010 4.795 -11.035 1.00 1.08 H new ATOM 0 HA PHE A 62 -14.119 6.805 -11.524 1.00 1.08 H new ATOM 0 HB2 PHE A 62 -15.239 8.019 -9.715 1.00 1.15 H new ATOM 0 HB3 PHE A 62 -16.419 7.234 -10.745 1.00 1.15 H new ATOM 0 HD1 PHE A 62 -14.802 7.172 -7.426 1.00 1.08 H new ATOM 0 HD2 PHE A 62 -17.784 5.392 -9.922 1.00 1.18 H new ATOM 0 HE1 PHE A 62 -15.815 6.101 -5.446 1.00 1.10 H new ATOM 0 HE2 PHE A 62 -18.827 4.362 -7.933 1.00 1.19 H new ATOM 0 HZ PHE A 62 -17.820 4.686 -5.708 1.00 1.15 H new ATOM 854 N LEU A 63 -13.395 4.847 -9.056 1.00 0.89 N ATOM 855 CA LEU A 63 -12.368 4.483 -8.107 1.00 0.79 C ATOM 856 C LEU A 63 -11.058 4.189 -8.831 1.00 0.80 C ATOM 857 O LEU A 63 -9.988 4.584 -8.378 1.00 0.80 O ATOM 858 CB LEU A 63 -12.813 3.262 -7.326 1.00 0.72 C ATOM 859 CG LEU A 63 -12.436 3.281 -5.861 1.00 0.64 C ATOM 860 CD1 LEU A 63 -13.701 3.305 -5.013 1.00 0.60 C ATOM 861 CD2 LEU A 63 -11.556 2.083 -5.535 1.00 0.63 C ATOM 0 H LEU A 63 -14.113 4.136 -9.195 1.00 0.89 H new ATOM 0 HA LEU A 63 -12.206 5.314 -7.421 1.00 0.79 H new ATOM 0 HB2 LEU A 63 -13.896 3.169 -7.408 1.00 0.72 H new ATOM 0 HB3 LEU A 63 -12.381 2.374 -7.788 1.00 0.72 H new ATOM 0 HG LEU A 63 -11.861 4.179 -5.635 1.00 0.64 H new ATOM 0 HD11 LEU A 63 -13.431 3.319 -3.957 1.00 0.60 H new ATOM 0 HD12 LEU A 63 -14.282 4.196 -5.251 1.00 0.60 H new ATOM 0 HD13 LEU A 63 -14.297 2.417 -5.224 1.00 0.60 H new ATOM 0 HD21 LEU A 63 -11.289 2.104 -4.478 1.00 0.63 H new ATOM 0 HD22 LEU A 63 -12.098 1.163 -5.754 1.00 0.63 H new ATOM 0 HD23 LEU A 63 -10.650 2.122 -6.139 1.00 0.63 H new ATOM 873 N LYS A 64 -11.162 3.505 -9.970 1.00 0.85 N ATOM 874 CA LYS A 64 -9.997 3.148 -10.780 1.00 0.90 C ATOM 875 C LYS A 64 -9.420 4.383 -11.484 1.00 0.94 C ATOM 876 O LYS A 64 -8.261 4.397 -11.878 1.00 0.99 O ATOM 877 CB LYS A 64 -10.391 2.085 -11.810 1.00 1.00 C ATOM 878 CG LYS A 64 -9.206 1.406 -12.479 1.00 1.10 C ATOM 879 CD LYS A 64 -9.640 0.208 -13.316 1.00 1.26 C ATOM 880 CE LYS A 64 -10.503 0.627 -14.497 1.00 1.46 C ATOM 881 NZ LYS A 64 -10.935 -0.544 -15.310 1.00 1.71 N ATOM 0 H LYS A 64 -12.050 3.184 -10.356 1.00 0.85 H new ATOM 0 HA LYS A 64 -9.227 2.744 -10.123 1.00 0.90 H new ATOM 0 HB2 LYS A 64 -11.002 1.327 -11.320 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -11.012 2.549 -12.577 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -8.686 2.124 -13.114 1.00 1.10 H new ATOM 0 HG3 LYS A 64 -8.496 1.080 -11.718 1.00 1.10 H new ATOM 0 HD2 LYS A 64 -8.758 -0.320 -13.679 1.00 1.26 H new ATOM 0 HD3 LYS A 64 -10.195 -0.491 -12.690 1.00 1.26 H new ATOM 0 HE2 LYS A 64 -11.381 1.161 -14.134 1.00 1.46 H new ATOM 0 HE3 LYS A 64 -9.946 1.321 -15.126 1.00 1.46 H new ATOM 0 HZ1 LYS A 64 -11.521 -0.218 -16.105 1.00 1.71 H new ATOM 0 HZ2 LYS A 64 -10.098 -1.039 -15.677 1.00 1.71 H new ATOM 0 HZ3 LYS A 64 -11.489 -1.194 -14.716 1.00 1.71 H new ATOM 895 N LYS A 65 -10.253 5.407 -11.625 1.00 0.94 N ATOM 896 CA LYS A 65 -9.876 6.679 -12.270 1.00 0.99 C ATOM 897 C LYS A 65 -9.035 7.582 -11.365 1.00 0.96 C ATOM 898 O LYS A 65 -7.880 7.871 -11.674 1.00 1.01 O ATOM 899 CB LYS A 65 -11.136 7.423 -12.697 1.00 1.02 C ATOM 900 CG LYS A 65 -11.900 6.656 -13.774 1.00 1.09 C ATOM 901 CD LYS A 65 -13.098 7.467 -14.277 1.00 1.15 C ATOM 902 CE LYS A 65 -12.681 8.756 -15.003 1.00 1.21 C ATOM 903 NZ LYS A 65 -11.897 8.465 -16.213 1.00 1.29 N ATOM 0 H LYS A 65 -11.218 5.388 -11.296 1.00 0.94 H new ATOM 0 HA LYS A 65 -9.261 6.430 -13.135 1.00 0.99 H new ATOM 0 HB2 LYS A 65 -11.780 7.576 -11.831 1.00 1.02 H new ATOM 0 HB3 LYS A 65 -10.867 8.410 -13.073 1.00 1.02 H new ATOM 0 HG2 LYS A 65 -11.234 6.430 -14.606 1.00 1.09 H new ATOM 0 HG3 LYS A 65 -12.244 5.703 -13.372 1.00 1.09 H new ATOM 0 HD2 LYS A 65 -13.691 6.850 -14.953 1.00 1.15 H new ATOM 0 HD3 LYS A 65 -13.739 7.722 -13.433 1.00 1.15 H new ATOM 0 HE2 LYS A 65 -13.570 9.326 -15.273 1.00 1.21 H new ATOM 0 HE3 LYS A 65 -12.094 9.380 -14.329 1.00 1.21 H new ATOM 0 HZ1 LYS A 65 -11.791 9.333 -16.775 1.00 1.29 H new ATOM 0 HZ2 LYS A 65 -10.957 8.112 -15.941 1.00 1.29 H new ATOM 0 HZ3 LYS A 65 -12.387 7.743 -16.779 1.00 1.29 H new ATOM 917 N VAL A 66 -9.565 7.884 -10.181 1.00 0.90 N ATOM 918 CA VAL A 66 -8.847 8.703 -9.212 1.00 0.88 C ATOM 919 C VAL A 66 -7.542 8.023 -8.765 1.00 0.88 C ATOM 920 O VAL A 66 -6.576 8.703 -8.432 1.00 0.91 O ATOM 921 CB VAL A 66 -9.715 9.035 -7.978 1.00 0.85 C ATOM 922 CG1 VAL A 66 -11.018 9.681 -8.413 1.00 0.87 C ATOM 923 CG2 VAL A 66 -9.986 7.797 -7.136 1.00 0.85 C ATOM 0 H VAL A 66 -10.486 7.574 -9.872 1.00 0.90 H new ATOM 0 HA VAL A 66 -8.603 9.638 -9.716 1.00 0.88 H new ATOM 0 HB VAL A 66 -9.161 9.739 -7.357 1.00 0.85 H new ATOM 0 HG11 VAL A 66 -11.621 9.910 -7.535 1.00 0.87 H new ATOM 0 HG12 VAL A 66 -10.804 10.601 -8.957 1.00 0.87 H new ATOM 0 HG13 VAL A 66 -11.565 8.996 -9.060 1.00 0.87 H new ATOM 0 HG21 VAL A 66 -10.599 8.068 -6.277 1.00 0.85 H new ATOM 0 HG22 VAL A 66 -10.512 7.056 -7.738 1.00 0.85 H new ATOM 0 HG23 VAL A 66 -9.041 7.379 -6.790 1.00 0.85 H new ATOM 933 N ILE A 67 -7.507 6.678 -8.768 1.00 0.88 N ATOM 934 CA ILE A 67 -6.289 5.956 -8.383 1.00 0.91 C ATOM 935 C ILE A 67 -5.358 5.817 -9.583 1.00 0.98 C ATOM 936 O ILE A 67 -4.164 5.566 -9.428 1.00 1.05 O ATOM 937 CB ILE A 67 -6.547 4.559 -7.760 1.00 0.92 C ATOM 938 CG1 ILE A 67 -7.077 3.571 -8.803 1.00 0.93 C ATOM 939 CG2 ILE A 67 -7.499 4.670 -6.577 1.00 0.89 C ATOM 940 CD1 ILE A 67 -7.164 2.146 -8.297 1.00 1.00 C ATOM 0 H ILE A 67 -8.293 6.082 -9.028 1.00 0.88 H new ATOM 0 HA ILE A 67 -5.824 6.558 -7.603 1.00 0.91 H new ATOM 0 HB ILE A 67 -5.595 4.171 -7.398 1.00 0.92 H new ATOM 0 HG12 ILE A 67 -8.066 3.894 -9.128 1.00 0.93 H new ATOM 0 HG13 ILE A 67 -6.429 3.598 -9.679 1.00 0.93 H new ATOM 0 HG21 ILE A 67 -7.669 3.681 -6.152 1.00 0.89 H new ATOM 0 HG22 ILE A 67 -7.063 5.320 -5.819 1.00 0.89 H new ATOM 0 HG23 ILE A 67 -8.448 5.089 -6.912 1.00 0.89 H new ATOM 0 HD11 ILE A 67 -7.547 1.502 -9.088 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -6.173 1.805 -7.999 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -7.835 2.105 -7.439 1.00 1.00 H new ATOM 952 N GLN A 68 -5.913 5.943 -10.786 1.00 0.99 N ATOM 953 CA GLN A 68 -5.089 5.902 -12.007 1.00 1.08 C ATOM 954 C GLN A 68 -4.330 7.225 -12.188 1.00 1.06 C ATOM 955 O GLN A 68 -3.128 7.228 -12.456 1.00 1.09 O ATOM 956 CB GLN A 68 -5.975 5.641 -13.215 1.00 1.16 C ATOM 957 CG GLN A 68 -5.133 5.402 -14.461 1.00 1.27 C ATOM 958 CD GLN A 68 -6.029 5.114 -15.659 1.00 1.37 C ATOM 959 OE1 GLN A 68 -6.930 5.853 -16.023 1.00 1.41 O ATOM 960 NE2 GLN A 68 -5.732 4.011 -16.306 1.00 1.52 N ATOM 0 H GLN A 68 -6.912 6.072 -10.948 1.00 0.99 H new ATOM 0 HA GLN A 68 -4.361 5.096 -11.913 1.00 1.08 H new ATOM 0 HB2 GLN A 68 -6.608 4.774 -13.027 1.00 1.16 H new ATOM 0 HB3 GLN A 68 -6.638 6.491 -13.376 1.00 1.16 H new ATOM 0 HG2 GLN A 68 -4.514 6.276 -14.663 1.00 1.27 H new ATOM 0 HG3 GLN A 68 -4.456 4.564 -14.295 1.00 1.27 H new ATOM 0 HE21 GLN A 68 -4.973 3.415 -15.976 1.00 1.52 H new ATOM 0 HE22 GLN A 68 -6.260 3.750 -17.139 1.00 1.52 H new ATOM 969 N LYS A 69 -5.032 8.333 -11.929 1.00 1.05 N ATOM 970 CA LYS A 69 -4.473 9.681 -12.060 1.00 1.06 C ATOM 971 C LYS A 69 -3.303 9.943 -11.105 1.00 1.08 C ATOM 972 O LYS A 69 -2.410 10.724 -11.431 1.00 1.15 O ATOM 973 CB LYS A 69 -5.563 10.726 -11.809 1.00 1.03 C ATOM 974 CG LYS A 69 -6.688 10.707 -12.831 1.00 1.10 C ATOM 975 CD LYS A 69 -7.763 11.728 -12.492 1.00 1.19 C ATOM 976 CE LYS A 69 -8.898 11.705 -13.503 1.00 1.38 C ATOM 977 NZ LYS A 69 -9.931 12.735 -13.203 1.00 1.58 N ATOM 0 H LYS A 69 -6.005 8.320 -11.622 1.00 1.05 H new ATOM 0 HA LYS A 69 -4.090 9.758 -13.077 1.00 1.06 H new ATOM 0 HB2 LYS A 69 -5.985 10.564 -10.817 1.00 1.03 H new ATOM 0 HB3 LYS A 69 -5.108 11.716 -11.804 1.00 1.03 H new ATOM 0 HG2 LYS A 69 -6.285 10.916 -13.822 1.00 1.10 H new ATOM 0 HG3 LYS A 69 -7.129 9.711 -12.870 1.00 1.10 H new ATOM 0 HD2 LYS A 69 -8.158 11.524 -11.497 1.00 1.19 H new ATOM 0 HD3 LYS A 69 -7.322 12.724 -12.462 1.00 1.19 H new ATOM 0 HE2 LYS A 69 -8.497 11.874 -14.502 1.00 1.38 H new ATOM 0 HE3 LYS A 69 -9.360 10.718 -13.507 1.00 1.38 H new ATOM 0 HZ1 LYS A 69 -10.687 12.686 -13.915 1.00 1.58 H new ATOM 0 HZ2 LYS A 69 -10.332 12.560 -12.260 1.00 1.58 H new ATOM 0 HZ3 LYS A 69 -9.496 13.679 -13.224 1.00 1.58 H new ATOM 991 N ILE A 70 -3.305 9.310 -9.927 1.00 1.07 N ATOM 992 CA ILE A 70 -2.223 9.518 -8.955 1.00 1.12 C ATOM 993 C ILE A 70 -0.919 8.875 -9.419 1.00 1.25 C ATOM 994 O ILE A 70 0.160 9.227 -8.942 1.00 1.37 O ATOM 995 CB ILE A 70 -2.577 8.986 -7.548 1.00 1.09 C ATOM 996 CG1 ILE A 70 -2.768 7.467 -7.572 1.00 1.09 C ATOM 997 CG2 ILE A 70 -3.819 9.681 -7.015 1.00 1.14 C ATOM 998 CD1 ILE A 70 -3.023 6.860 -6.209 1.00 1.19 C ATOM 0 H ILE A 70 -4.030 8.659 -9.625 1.00 1.07 H new ATOM 0 HA ILE A 70 -2.091 10.598 -8.889 1.00 1.12 H new ATOM 0 HB ILE A 70 -1.747 9.208 -6.878 1.00 1.09 H new ATOM 0 HG12 ILE A 70 -3.604 7.226 -8.229 1.00 1.09 H new ATOM 0 HG13 ILE A 70 -1.880 7.006 -8.004 1.00 1.09 H new ATOM 0 HG21 ILE A 70 -4.055 9.295 -6.023 1.00 1.14 H new ATOM 0 HG22 ILE A 70 -3.637 10.754 -6.953 1.00 1.14 H new ATOM 0 HG23 ILE A 70 -4.657 9.493 -7.686 1.00 1.14 H new ATOM 0 HD11 ILE A 70 -3.148 5.782 -6.308 1.00 1.19 H new ATOM 0 HD12 ILE A 70 -2.177 7.068 -5.554 1.00 1.19 H new ATOM 0 HD13 ILE A 70 -3.928 7.292 -5.782 1.00 1.19 H new ATOM 1122 N LEU B 8 6.402 20.280 15.809 1.00 0.80 N ATOM 1123 CA LEU B 8 6.926 20.850 14.548 1.00 0.77 C ATOM 1124 C LEU B 8 8.383 21.325 14.743 1.00 0.77 C ATOM 1125 O LEU B 8 8.667 22.462 15.118 1.00 0.79 O ATOM 1126 CB LEU B 8 5.997 21.986 14.080 1.00 0.78 C ATOM 1127 CG LEU B 8 6.310 22.579 12.692 1.00 0.76 C ATOM 1128 CD1 LEU B 8 5.045 23.226 12.135 1.00 0.77 C ATOM 1129 CD2 LEU B 8 7.379 23.679 12.724 1.00 0.77 C ATOM 0 HA LEU B 8 6.942 20.088 13.769 1.00 0.77 H new ATOM 0 HB2 LEU B 8 4.973 21.613 14.072 1.00 0.78 H new ATOM 0 HB3 LEU B 8 6.038 22.790 14.815 1.00 0.78 H new ATOM 0 HG LEU B 8 6.676 21.752 12.084 1.00 0.76 H new ATOM 0 HD11 LEU B 8 5.255 23.649 11.153 1.00 0.77 H new ATOM 0 HD12 LEU B 8 4.261 22.474 12.046 1.00 0.77 H new ATOM 0 HD13 LEU B 8 4.715 24.017 12.808 1.00 0.77 H new ATOM 0 HD21 LEU B 8 7.549 24.051 11.714 1.00 0.77 H new ATOM 0 HD22 LEU B 8 7.040 24.497 13.359 1.00 0.77 H new ATOM 0 HD23 LEU B 8 8.308 23.272 13.122 1.00 0.77 H new ATOM 1141 N ARG B 9 9.266 20.342 14.709 1.00 0.75 N ATOM 1142 CA ARG B 9 10.710 20.592 14.879 1.00 0.75 C ATOM 1143 C ARG B 9 11.529 19.891 13.796 1.00 0.72 C ATOM 1144 O ARG B 9 12.143 20.538 12.955 1.00 0.71 O ATOM 1145 CB ARG B 9 11.181 20.262 16.308 1.00 0.79 C ATOM 1146 CG ARG B 9 10.917 18.815 16.741 1.00 0.79 C ATOM 1147 CD ARG B 9 11.590 18.492 18.071 1.00 0.82 C ATOM 1148 NE ARG B 9 11.379 17.067 18.389 1.00 0.82 N ATOM 1149 CZ ARG B 9 10.253 16.504 18.836 1.00 0.83 C ATOM 1150 NH1 ARG B 9 9.148 17.216 19.041 1.00 0.85 N ATOM 1151 NH2 ARG B 9 10.232 15.211 19.130 1.00 0.84 N ATOM 0 H ARG B 9 9.022 19.362 14.566 1.00 0.75 H new ATOM 0 HA ARG B 9 10.884 21.660 14.747 1.00 0.75 H new ATOM 0 HB2 ARG B 9 12.250 20.461 16.381 1.00 0.79 H new ATOM 0 HB3 ARG B 9 10.683 20.935 17.007 1.00 0.79 H new ATOM 0 HG2 ARG B 9 9.843 18.651 16.828 1.00 0.79 H new ATOM 0 HG3 ARG B 9 11.282 18.133 15.973 1.00 0.79 H new ATOM 0 HD2 ARG B 9 12.656 18.710 18.015 1.00 0.82 H new ATOM 0 HD3 ARG B 9 11.178 19.118 18.862 1.00 0.82 H new ATOM 0 HE ARG B 9 12.177 16.446 18.253 1.00 0.82 H new ATOM 0 HH11 ARG B 9 9.146 18.219 18.856 1.00 0.85 H new ATOM 0 HH12 ARG B 9 8.303 16.759 19.383 1.00 0.85 H new ATOM 0 HH21 ARG B 9 11.075 14.648 19.015 1.00 0.84 H new ATOM 0 HH22 ARG B 9 9.373 14.780 19.471 1.00 0.84 H new ATOM 1165 N GLU B 10 11.485 18.555 13.815 1.00 0.71 N ATOM 1166 CA GLU B 10 12.302 17.696 12.951 1.00 0.68 C ATOM 1167 C GLU B 10 11.598 16.362 12.701 1.00 0.66 C ATOM 1168 O GLU B 10 11.263 15.635 13.640 1.00 0.68 O ATOM 1169 CB GLU B 10 13.655 17.416 13.617 1.00 0.70 C ATOM 1170 CG GLU B 10 14.512 18.677 13.773 1.00 0.72 C ATOM 1171 CD GLU B 10 15.890 18.408 14.380 1.00 0.75 C ATOM 1172 OE1 GLU B 10 16.394 17.279 14.195 1.00 0.74 O ATOM 1173 OE2 GLU B 10 16.419 19.355 14.997 1.00 0.77 O ATOM 0 H GLU B 10 10.872 18.032 14.440 1.00 0.71 H new ATOM 0 HA GLU B 10 12.451 18.214 12.003 1.00 0.68 H new ATOM 0 HB2 GLU B 10 13.487 16.973 14.598 1.00 0.70 H new ATOM 0 HB3 GLU B 10 14.201 16.682 13.025 1.00 0.70 H new ATOM 0 HG2 GLU B 10 14.639 19.143 12.796 1.00 0.72 H new ATOM 0 HG3 GLU B 10 13.981 19.392 14.401 1.00 0.72 H new ATOM 1180 N LEU B 11 11.257 16.167 11.442 1.00 0.63 N ATOM 1181 CA LEU B 11 10.586 14.939 10.979 1.00 0.61 C ATOM 1182 C LEU B 11 11.366 14.319 9.818 1.00 0.58 C ATOM 1183 O LEU B 11 11.860 15.020 8.935 1.00 0.57 O ATOM 1184 CB LEU B 11 9.162 15.272 10.540 1.00 0.60 C ATOM 1185 CG LEU B 11 8.321 15.782 11.710 1.00 0.64 C ATOM 1186 CD1 LEU B 11 7.713 17.140 11.360 1.00 0.65 C ATOM 1187 CD2 LEU B 11 7.238 14.765 12.071 1.00 0.64 C ATOM 0 H LEU B 11 11.431 16.847 10.702 1.00 0.63 H new ATOM 0 HA LEU B 11 10.550 14.218 11.796 1.00 0.61 H new ATOM 0 HB2 LEU B 11 9.189 16.027 9.754 1.00 0.60 H new ATOM 0 HB3 LEU B 11 8.694 14.384 10.114 1.00 0.60 H new ATOM 0 HG LEU B 11 8.961 15.909 12.583 1.00 0.64 H new ATOM 0 HD11 LEU B 11 7.115 17.498 12.198 1.00 0.65 H new ATOM 0 HD12 LEU B 11 8.511 17.853 11.153 1.00 0.65 H new ATOM 0 HD13 LEU B 11 7.079 17.039 10.479 1.00 0.65 H new ATOM 0 HD21 LEU B 11 6.648 15.143 12.906 1.00 0.64 H new ATOM 0 HD22 LEU B 11 6.588 14.604 11.211 1.00 0.64 H new ATOM 0 HD23 LEU B 11 7.705 13.822 12.354 1.00 0.64 H new ATOM 1199 N ARG B 12 11.433 13.001 9.861 1.00 0.57 N ATOM 1200 CA ARG B 12 12.209 12.213 8.884 1.00 0.55 C ATOM 1201 C ARG B 12 11.231 11.532 7.931 1.00 0.52 C ATOM 1202 O ARG B 12 10.134 11.141 8.334 1.00 0.52 O ATOM 1203 CB ARG B 12 13.033 11.141 9.618 1.00 0.57 C ATOM 1204 CG ARG B 12 13.762 11.634 10.877 1.00 0.60 C ATOM 1205 CD ARG B 12 14.577 12.895 10.590 1.00 0.61 C ATOM 1206 NE ARG B 12 15.383 13.290 11.746 1.00 0.65 N ATOM 1207 CZ ARG B 12 16.699 13.145 11.743 1.00 0.67 C ATOM 1208 NH1 ARG B 12 17.248 11.972 12.023 1.00 0.68 N ATOM 1209 NH2 ARG B 12 17.469 14.203 11.551 1.00 0.68 N ATOM 0 H ARG B 12 10.958 12.436 10.565 1.00 0.57 H new ATOM 0 HA ARG B 12 12.886 12.866 8.332 1.00 0.55 H new ATOM 0 HB2 ARG B 12 12.370 10.322 9.897 1.00 0.57 H new ATOM 0 HB3 ARG B 12 13.770 10.733 8.926 1.00 0.57 H new ATOM 0 HG2 ARG B 12 13.036 11.839 11.663 1.00 0.60 H new ATOM 0 HG3 ARG B 12 14.421 10.849 11.249 1.00 0.60 H new ATOM 0 HD2 ARG B 12 15.229 12.721 9.734 1.00 0.61 H new ATOM 0 HD3 ARG B 12 13.905 13.709 10.319 1.00 0.61 H new ATOM 0 HE ARG B 12 14.923 13.683 12.567 1.00 0.65 H new ATOM 0 HH11 ARG B 12 16.656 11.171 12.243 1.00 0.68 H new ATOM 0 HH12 ARG B 12 18.263 11.870 12.018 1.00 0.68 H new ATOM 0 HH21 ARG B 12 17.048 15.121 11.407 1.00 0.68 H new ATOM 0 HH22 ARG B 12 18.484 14.101 11.547 1.00 0.68 H new ATOM 1223 N CYS B 13 11.646 11.380 6.675 1.00 0.50 N ATOM 1224 CA CYS B 13 10.871 10.607 5.690 1.00 0.48 C ATOM 1225 C CYS B 13 10.603 9.192 6.231 1.00 0.48 C ATOM 1226 O CYS B 13 11.385 8.663 7.022 1.00 0.49 O ATOM 1227 CB CYS B 13 11.658 10.518 4.385 1.00 0.47 C ATOM 1228 SG CYS B 13 11.645 12.051 3.386 1.00 0.48 S ATOM 0 H CYS B 13 12.511 11.778 6.310 1.00 0.50 H new ATOM 0 HA CYS B 13 9.918 11.105 5.508 1.00 0.48 H new ATOM 0 HB2 CYS B 13 12.691 10.258 4.615 1.00 0.47 H new ATOM 0 HB3 CYS B 13 11.251 9.704 3.785 1.00 0.47 H new ATOM 1233 N VAL B 14 9.489 8.607 5.799 1.00 0.46 N ATOM 1234 CA VAL B 14 9.131 7.223 6.200 1.00 0.46 C ATOM 1235 C VAL B 14 10.213 6.209 5.761 1.00 0.46 C ATOM 1236 O VAL B 14 10.436 5.186 6.400 1.00 0.47 O ATOM 1237 CB VAL B 14 7.706 6.847 5.732 1.00 0.45 C ATOM 1238 CG1 VAL B 14 7.510 6.773 4.216 1.00 0.43 C ATOM 1239 CG2 VAL B 14 7.233 5.530 6.352 1.00 0.46 C ATOM 0 H VAL B 14 8.815 9.053 5.177 1.00 0.46 H new ATOM 0 HA VAL B 14 9.107 7.181 7.289 1.00 0.46 H new ATOM 0 HB VAL B 14 7.099 7.680 6.086 1.00 0.45 H new ATOM 0 HG11 VAL B 14 6.477 6.502 3.995 1.00 0.43 H new ATOM 0 HG12 VAL B 14 7.733 7.743 3.772 1.00 0.43 H new ATOM 0 HG13 VAL B 14 8.179 6.021 3.799 1.00 0.43 H new ATOM 0 HG21 VAL B 14 6.228 5.302 5.998 1.00 0.46 H new ATOM 0 HG22 VAL B 14 7.911 4.727 6.062 1.00 0.46 H new ATOM 0 HG23 VAL B 14 7.223 5.622 7.438 1.00 0.46 H new ATOM 1249 N CYS B 15 10.854 6.535 4.641 1.00 0.45 N ATOM 1250 CA CYS B 15 11.934 5.746 4.034 1.00 0.45 C ATOM 1251 C CYS B 15 13.232 6.543 3.963 1.00 0.47 C ATOM 1252 O CYS B 15 13.351 7.488 3.181 1.00 0.47 O ATOM 1253 CB CYS B 15 11.551 5.352 2.613 1.00 0.43 C ATOM 1254 SG CYS B 15 10.289 4.048 2.560 1.00 0.42 S ATOM 0 H CYS B 15 10.633 7.379 4.112 1.00 0.45 H new ATOM 0 HA CYS B 15 12.083 4.864 4.657 1.00 0.45 H new ATOM 0 HB2 CYS B 15 11.181 6.231 2.084 1.00 0.43 H new ATOM 0 HB3 CYS B 15 12.441 5.012 2.083 1.00 0.43 H new ATOM 1259 N LEU B 16 14.142 6.203 4.866 1.00 0.49 N ATOM 1260 CA LEU B 16 15.491 6.802 4.868 1.00 0.52 C ATOM 1261 C LEU B 16 16.464 6.139 3.879 1.00 0.54 C ATOM 1262 O LEU B 16 17.316 6.802 3.282 1.00 0.55 O ATOM 1263 CB LEU B 16 16.074 6.811 6.284 1.00 0.55 C ATOM 1264 CG LEU B 16 15.293 7.725 7.241 1.00 0.55 C ATOM 1265 CD1 LEU B 16 15.887 7.623 8.645 1.00 0.58 C ATOM 1266 CD2 LEU B 16 15.302 9.187 6.776 1.00 0.54 C ATOM 0 H LEU B 16 13.982 5.520 5.607 1.00 0.49 H new ATOM 0 HA LEU B 16 15.368 7.828 4.522 1.00 0.52 H new ATOM 0 HB2 LEU B 16 16.075 5.795 6.679 1.00 0.55 H new ATOM 0 HB3 LEU B 16 17.113 7.138 6.243 1.00 0.55 H new ATOM 0 HG LEU B 16 14.256 7.390 7.249 1.00 0.55 H new ATOM 0 HD11 LEU B 16 15.332 8.272 9.323 1.00 0.58 H new ATOM 0 HD12 LEU B 16 15.821 6.592 8.994 1.00 0.58 H new ATOM 0 HD13 LEU B 16 16.932 7.932 8.621 1.00 0.58 H new ATOM 0 HD21 LEU B 16 14.738 9.797 7.482 1.00 0.54 H new ATOM 0 HD22 LEU B 16 16.330 9.547 6.726 1.00 0.54 H new ATOM 0 HD23 LEU B 16 14.844 9.258 5.789 1.00 0.54 H new ATOM 1278 N GLN B 17 16.296 4.846 3.696 1.00 0.53 N ATOM 1279 CA GLN B 17 17.121 4.010 2.818 1.00 0.55 C ATOM 1280 C GLN B 17 16.294 3.534 1.611 1.00 0.53 C ATOM 1281 O GLN B 17 15.105 3.827 1.484 1.00 0.50 O ATOM 1282 CB GLN B 17 17.713 2.823 3.604 1.00 0.58 C ATOM 1283 CG GLN B 17 16.712 1.744 4.051 1.00 0.56 C ATOM 1284 CD GLN B 17 15.741 2.170 5.162 1.00 0.55 C ATOM 1285 OE1 GLN B 17 15.783 3.223 5.777 1.00 0.55 O ATOM 1286 NE2 GLN B 17 14.814 1.299 5.471 1.00 0.54 N ATOM 0 H GLN B 17 15.559 4.320 4.166 1.00 0.53 H new ATOM 0 HA GLN B 17 17.954 4.603 2.441 1.00 0.55 H new ATOM 0 HB2 GLN B 17 18.476 2.349 2.987 1.00 0.58 H new ATOM 0 HB3 GLN B 17 18.215 3.213 4.489 1.00 0.58 H new ATOM 0 HG2 GLN B 17 16.131 1.429 3.184 1.00 0.56 H new ATOM 0 HG3 GLN B 17 17.271 0.873 4.394 1.00 0.56 H new ATOM 0 HE21 GLN B 17 14.760 0.412 4.970 1.00 0.54 H new ATOM 0 HE22 GLN B 17 14.146 1.507 6.213 1.00 0.54 H new ATOM 1295 N THR B 18 16.960 2.751 0.782 1.00 0.55 N ATOM 1296 CA THR B 18 16.360 2.155 -0.424 1.00 0.54 C ATOM 1297 C THR B 18 16.603 0.637 -0.478 1.00 0.55 C ATOM 1298 O THR B 18 17.174 0.042 0.440 1.00 0.57 O ATOM 1299 CB THR B 18 16.913 2.906 -1.647 1.00 0.56 C ATOM 1300 OG1 THR B 18 16.228 2.445 -2.809 1.00 0.55 O ATOM 1301 CG2 THR B 18 18.431 2.765 -1.832 1.00 0.60 C ATOM 0 H THR B 18 17.940 2.502 0.917 1.00 0.55 H new ATOM 0 HA THR B 18 15.276 2.265 -0.410 1.00 0.54 H new ATOM 0 HB THR B 18 16.738 3.969 -1.482 1.00 0.56 H new ATOM 0 HG1 THR B 18 16.880 2.207 -3.500 1.00 0.55 H new ATOM 0 HG21 THR B 18 18.743 3.323 -2.715 1.00 0.60 H new ATOM 0 HG22 THR B 18 18.943 3.159 -0.954 1.00 0.60 H new ATOM 0 HG23 THR B 18 18.686 1.713 -1.958 1.00 0.60 H new ATOM 1309 N THR B 19 16.253 0.037 -1.611 1.00 0.55 N ATOM 1310 CA THR B 19 16.388 -1.400 -1.900 1.00 0.57 C ATOM 1311 C THR B 19 16.413 -1.634 -3.421 1.00 0.58 C ATOM 1312 O THR B 19 15.853 -0.864 -4.210 1.00 0.57 O ATOM 1313 CB THR B 19 15.230 -2.180 -1.240 1.00 0.54 C ATOM 1314 OG1 THR B 19 15.238 -1.950 0.173 1.00 0.54 O ATOM 1315 CG2 THR B 19 15.297 -3.692 -1.463 1.00 0.56 C ATOM 0 H THR B 19 15.849 0.555 -2.391 1.00 0.55 H new ATOM 0 HA THR B 19 17.328 -1.763 -1.485 1.00 0.57 H new ATOM 0 HB THR B 19 14.319 -1.812 -1.712 1.00 0.54 H new ATOM 0 HG1 THR B 19 14.664 -1.184 0.383 1.00 0.54 H new ATOM 0 HG21 THR B 19 14.451 -4.170 -0.970 1.00 0.56 H new ATOM 0 HG22 THR B 19 15.262 -3.904 -2.532 1.00 0.56 H new ATOM 0 HG23 THR B 19 16.227 -4.080 -1.047 1.00 0.56 H new ATOM 1323 N GLN B 20 17.081 -2.718 -3.784 1.00 0.61 N ATOM 1324 CA GLN B 20 17.217 -3.217 -5.154 1.00 0.64 C ATOM 1325 C GLN B 20 16.835 -4.695 -5.271 1.00 0.64 C ATOM 1326 O GLN B 20 17.654 -5.605 -5.401 1.00 0.68 O ATOM 1327 CB GLN B 20 18.622 -2.926 -5.719 1.00 0.68 C ATOM 1328 CG GLN B 20 19.813 -3.624 -5.050 1.00 0.72 C ATOM 1329 CD GLN B 20 20.077 -3.229 -3.596 1.00 0.70 C ATOM 1330 OE1 GLN B 20 19.617 -2.252 -3.025 1.00 0.68 O ATOM 1331 NE2 GLN B 20 20.920 -3.999 -2.953 1.00 0.73 N ATOM 0 H GLN B 20 17.567 -3.304 -3.105 1.00 0.61 H new ATOM 0 HA GLN B 20 16.504 -2.671 -5.772 1.00 0.64 H new ATOM 0 HB2 GLN B 20 18.623 -3.197 -6.775 1.00 0.68 H new ATOM 0 HB3 GLN B 20 18.790 -1.850 -5.666 1.00 0.68 H new ATOM 0 HG2 GLN B 20 19.651 -4.701 -5.092 1.00 0.72 H new ATOM 0 HG3 GLN B 20 20.709 -3.414 -5.634 1.00 0.72 H new ATOM 0 HE21 GLN B 20 21.315 -4.819 -3.413 1.00 0.73 H new ATOM 0 HE22 GLN B 20 21.182 -3.778 -1.992 1.00 0.73 H new ATOM 1340 N GLY B 21 15.522 -4.909 -5.166 1.00 0.61 N ATOM 1341 CA GLY B 21 14.986 -6.250 -5.377 1.00 0.61 C ATOM 1342 C GLY B 21 14.763 -6.525 -6.880 1.00 0.63 C ATOM 1343 O GLY B 21 14.923 -5.609 -7.678 1.00 0.64 O ATOM 0 H GLY B 21 14.830 -4.193 -4.943 1.00 0.61 H new ATOM 0 HA2 GLY B 21 15.673 -6.989 -4.966 1.00 0.61 H new ATOM 0 HA3 GLY B 21 14.044 -6.358 -4.840 1.00 0.61 H new ATOM 1347 N VAL B 22 14.232 -7.658 -7.321 1.00 0.64 N ATOM 1348 CA VAL B 22 13.584 -8.856 -6.705 1.00 0.63 C ATOM 1349 C VAL B 22 12.372 -9.201 -7.599 1.00 0.62 C ATOM 1350 O VAL B 22 12.157 -8.573 -8.632 1.00 0.63 O ATOM 1351 CB VAL B 22 13.170 -8.726 -5.211 1.00 0.60 C ATOM 1352 CG1 VAL B 22 11.974 -7.795 -4.945 1.00 0.56 C ATOM 1353 CG2 VAL B 22 13.034 -10.081 -4.503 1.00 0.61 C ATOM 0 H VAL B 22 14.241 -7.801 -8.331 1.00 0.64 H new ATOM 0 HA VAL B 22 14.327 -9.653 -6.668 1.00 0.63 H new ATOM 0 HB VAL B 22 14.016 -8.216 -4.751 1.00 0.60 H new ATOM 0 HG11 VAL B 22 11.763 -7.771 -3.876 1.00 0.56 H new ATOM 0 HG12 VAL B 22 12.212 -6.789 -5.291 1.00 0.56 H new ATOM 0 HG13 VAL B 22 11.099 -8.165 -5.480 1.00 0.56 H new ATOM 0 HG21 VAL B 22 12.743 -9.921 -3.465 1.00 0.61 H new ATOM 0 HG22 VAL B 22 12.273 -10.679 -5.005 1.00 0.61 H new ATOM 0 HG23 VAL B 22 13.989 -10.606 -4.536 1.00 0.61 H new ATOM 1363 N HIS B 23 11.545 -10.145 -7.165 1.00 0.61 N ATOM 1364 CA HIS B 23 10.306 -10.482 -7.870 1.00 0.61 C ATOM 1365 C HIS B 23 9.089 -10.195 -6.966 1.00 0.57 C ATOM 1366 O HIS B 23 9.146 -10.471 -5.761 1.00 0.56 O ATOM 1367 CB HIS B 23 10.367 -11.950 -8.307 1.00 0.64 C ATOM 1368 CG HIS B 23 9.245 -12.296 -9.292 1.00 0.64 C ATOM 1369 ND1 HIS B 23 7.982 -12.531 -8.956 1.00 0.63 N ATOM 1370 CD2 HIS B 23 9.351 -12.453 -10.608 1.00 0.67 C ATOM 1371 CE1 HIS B 23 7.305 -12.849 -10.058 1.00 0.65 C ATOM 1372 NE2 HIS B 23 8.153 -12.800 -11.078 1.00 0.68 N ATOM 0 H HIS B 23 11.709 -10.696 -6.322 1.00 0.61 H new ATOM 0 HA HIS B 23 10.196 -9.865 -8.761 1.00 0.61 H new ATOM 0 HB2 HIS B 23 11.333 -12.152 -8.770 1.00 0.64 H new ATOM 0 HB3 HIS B 23 10.293 -12.594 -7.431 1.00 0.64 H new ATOM 0 HD2 HIS B 23 10.249 -12.322 -11.193 1.00 0.67 H new ATOM 0 HE1 HIS B 23 6.256 -13.101 -10.112 1.00 0.65 H new ATOM 0 HE2 HIS B 23 7.927 -12.994 -12.053 1.00 0.68 H new ATOM 1380 N PRO B 24 7.987 -9.717 -7.571 1.00 0.57 N ATOM 1381 CA PRO B 24 6.686 -9.498 -6.906 1.00 0.55 C ATOM 1382 C PRO B 24 6.202 -10.722 -6.136 1.00 0.55 C ATOM 1383 O PRO B 24 5.388 -10.578 -5.234 1.00 0.53 O ATOM 1384 CB PRO B 24 5.687 -9.293 -8.036 1.00 0.56 C ATOM 1385 CG PRO B 24 6.521 -8.673 -9.142 1.00 0.58 C ATOM 1386 CD PRO B 24 7.888 -9.324 -8.994 1.00 0.59 C ATOM 0 HA PRO B 24 6.781 -8.667 -6.206 1.00 0.55 H new ATOM 0 HB2 PRO B 24 5.240 -10.236 -8.352 1.00 0.56 H new ATOM 0 HB3 PRO B 24 4.870 -8.638 -7.735 1.00 0.56 H new ATOM 0 HG2 PRO B 24 6.090 -8.871 -10.123 1.00 0.58 H new ATOM 0 HG3 PRO B 24 6.583 -7.590 -9.034 1.00 0.58 H new ATOM 0 HD2 PRO B 24 7.983 -10.191 -9.648 1.00 0.59 H new ATOM 0 HD3 PRO B 24 8.684 -8.631 -9.266 1.00 0.59 H new ATOM 1394 N LYS B 25 6.701 -11.903 -6.497 1.00 0.57 N ATOM 1395 CA LYS B 25 6.357 -13.185 -5.866 1.00 0.58 C ATOM 1396 C LYS B 25 6.510 -13.151 -4.334 1.00 0.56 C ATOM 1397 O LYS B 25 5.770 -13.816 -3.619 1.00 0.57 O ATOM 1398 CB LYS B 25 7.260 -14.272 -6.444 1.00 0.61 C ATOM 1399 CG LYS B 25 6.473 -15.571 -6.620 1.00 0.62 C ATOM 1400 CD LYS B 25 7.315 -16.696 -7.223 1.00 0.66 C ATOM 1401 CE LYS B 25 8.368 -17.214 -6.243 1.00 0.67 C ATOM 1402 NZ LYS B 25 8.301 -18.676 -6.165 1.00 0.69 N ATOM 0 H LYS B 25 7.374 -12.002 -7.257 1.00 0.57 H new ATOM 0 HA LYS B 25 5.308 -13.392 -6.078 1.00 0.58 H new ATOM 0 HB2 LYS B 25 7.662 -13.949 -7.404 1.00 0.61 H new ATOM 0 HB3 LYS B 25 8.110 -14.439 -5.782 1.00 0.61 H new ATOM 0 HG2 LYS B 25 6.087 -15.891 -5.652 1.00 0.62 H new ATOM 0 HG3 LYS B 25 5.611 -15.385 -7.261 1.00 0.62 H new ATOM 0 HD2 LYS B 25 6.663 -17.517 -7.521 1.00 0.66 H new ATOM 0 HD3 LYS B 25 7.807 -16.336 -8.126 1.00 0.66 H new ATOM 0 HE2 LYS B 25 9.362 -16.904 -6.566 1.00 0.67 H new ATOM 0 HE3 LYS B 25 8.204 -16.781 -5.256 1.00 0.67 H new ATOM 0 HZ1 LYS B 25 9.020 -19.021 -5.497 1.00 0.69 H new ATOM 0 HZ2 LYS B 25 7.357 -18.963 -5.837 1.00 0.69 H new ATOM 0 HZ3 LYS B 25 8.479 -19.082 -7.106 1.00 0.69 H new ATOM 1416 N MET B 26 7.429 -12.305 -3.867 1.00 0.55 N ATOM 1417 CA MET B 26 7.656 -12.068 -2.428 1.00 0.55 C ATOM 1418 C MET B 26 6.767 -10.957 -1.841 1.00 0.52 C ATOM 1419 O MET B 26 6.591 -10.858 -0.624 1.00 0.52 O ATOM 1420 CB MET B 26 9.136 -11.771 -2.179 1.00 0.57 C ATOM 1421 CG MET B 26 10.033 -12.986 -2.461 1.00 0.64 C ATOM 1422 SD MET B 26 9.861 -14.352 -1.253 1.00 0.75 S ATOM 1423 CE MET B 26 8.890 -15.533 -2.167 1.00 0.95 C ATOM 0 H MET B 26 8.042 -11.760 -4.473 1.00 0.55 H new ATOM 0 HA MET B 26 7.370 -12.982 -1.907 1.00 0.55 H new ATOM 0 HB2 MET B 26 9.448 -10.939 -2.810 1.00 0.57 H new ATOM 0 HB3 MET B 26 9.271 -11.455 -1.145 1.00 0.57 H new ATOM 0 HG2 MET B 26 9.805 -13.367 -3.456 1.00 0.64 H new ATOM 0 HG3 MET B 26 11.073 -12.659 -2.475 1.00 0.64 H new ATOM 0 HE1 MET B 26 8.402 -16.217 -1.473 1.00 0.95 H new ATOM 0 HE2 MET B 26 8.134 -15.008 -2.751 1.00 0.95 H new ATOM 0 HE3 MET B 26 9.539 -16.097 -2.837 1.00 0.95 H new ATOM 1433 N ILE B 27 6.218 -10.109 -2.703 1.00 0.50 N ATOM 1434 CA ILE B 27 5.371 -8.996 -2.261 1.00 0.48 C ATOM 1435 C ILE B 27 3.903 -9.417 -2.139 1.00 0.49 C ATOM 1436 O ILE B 27 3.428 -10.271 -2.886 1.00 0.56 O ATOM 1437 CB ILE B 27 5.472 -7.798 -3.238 1.00 0.52 C ATOM 1438 CG1 ILE B 27 6.936 -7.532 -3.620 1.00 0.56 C ATOM 1439 CG2 ILE B 27 4.846 -6.547 -2.631 1.00 0.53 C ATOM 1440 CD1 ILE B 27 7.817 -7.142 -2.452 1.00 0.58 C ATOM 0 H ILE B 27 6.342 -10.167 -3.714 1.00 0.50 H new ATOM 0 HA ILE B 27 5.735 -8.696 -1.278 1.00 0.48 H new ATOM 0 HB ILE B 27 4.919 -8.053 -4.142 1.00 0.52 H new ATOM 0 HG12 ILE B 27 7.347 -8.426 -4.089 1.00 0.56 H new ATOM 0 HG13 ILE B 27 6.967 -6.738 -4.366 1.00 0.56 H new ATOM 0 HG21 ILE B 27 4.929 -5.720 -3.336 1.00 0.53 H new ATOM 0 HG22 ILE B 27 3.794 -6.735 -2.415 1.00 0.53 H new ATOM 0 HG23 ILE B 27 5.366 -6.291 -1.708 1.00 0.53 H new ATOM 0 HD11 ILE B 27 8.834 -6.972 -2.805 1.00 0.58 H new ATOM 0 HD12 ILE B 27 7.433 -6.229 -1.996 1.00 0.58 H new ATOM 0 HD13 ILE B 27 7.819 -7.944 -1.714 1.00 0.58 H new ATOM 1452 N SER B 28 3.191 -8.805 -1.184 1.00 0.47 N ATOM 1453 CA SER B 28 1.778 -9.103 -0.963 1.00 0.54 C ATOM 1454 C SER B 28 1.005 -7.847 -0.543 1.00 0.55 C ATOM 1455 O SER B 28 -0.208 -7.893 -0.340 1.00 0.70 O ATOM 1456 CB SER B 28 1.626 -10.195 0.102 1.00 0.61 C ATOM 1457 OG SER B 28 2.218 -11.411 -0.322 1.00 0.68 O ATOM 0 H SER B 28 3.575 -8.101 -0.554 1.00 0.47 H new ATOM 0 HA SER B 28 1.359 -9.461 -1.904 1.00 0.54 H new ATOM 0 HB2 SER B 28 2.090 -9.867 1.032 1.00 0.61 H new ATOM 0 HB3 SER B 28 0.569 -10.356 0.313 1.00 0.61 H new ATOM 0 HG SER B 28 1.516 -12.071 -0.502 1.00 0.68 H new ATOM 1463 N ASN B 29 1.720 -6.726 -0.415 1.00 0.49 N ATOM 1464 CA ASN B 29 1.113 -5.450 -0.021 1.00 0.50 C ATOM 1465 C ASN B 29 2.009 -4.284 -0.448 1.00 0.49 C ATOM 1466 O ASN B 29 3.218 -4.306 -0.219 1.00 0.49 O ATOM 1467 CB ASN B 29 0.884 -5.423 1.498 1.00 0.54 C ATOM 1468 CG ASN B 29 0.569 -4.038 2.033 1.00 0.58 C ATOM 1469 OD1 ASN B 29 -0.546 -3.542 1.893 1.00 0.67 O ATOM 1470 ND2 ASN B 29 1.555 -3.414 2.666 1.00 0.83 N ATOM 0 H ASN B 29 2.725 -6.676 -0.579 1.00 0.49 H new ATOM 0 HA ASN B 29 0.150 -5.347 -0.521 1.00 0.50 H new ATOM 0 HB2 ASN B 29 0.064 -6.096 1.747 1.00 0.54 H new ATOM 0 HB3 ASN B 29 1.773 -5.805 1.999 1.00 0.54 H new ATOM 0 HD21 ASN B 29 1.402 -2.485 3.059 1.00 0.83 H new ATOM 0 HD22 ASN B 29 2.466 -3.863 2.759 1.00 0.83 H new ATOM 1477 N LEU B 30 1.409 -3.273 -1.075 1.00 0.53 N ATOM 1478 CA LEU B 30 2.160 -2.104 -1.536 1.00 0.55 C ATOM 1479 C LEU B 30 1.538 -0.808 -1.025 1.00 0.56 C ATOM 1480 O LEU B 30 0.413 -0.468 -1.381 1.00 0.75 O ATOM 1481 CB LEU B 30 2.213 -2.078 -3.065 1.00 0.60 C ATOM 1482 CG LEU B 30 2.847 -0.824 -3.675 1.00 0.69 C ATOM 1483 CD1 LEU B 30 4.362 -0.925 -3.655 1.00 0.74 C ATOM 1484 CD2 LEU B 30 2.345 -0.608 -5.093 1.00 0.75 C ATOM 0 H LEU B 30 0.409 -3.239 -1.275 1.00 0.53 H new ATOM 0 HA LEU B 30 3.171 -2.182 -1.137 1.00 0.55 H new ATOM 0 HB2 LEU B 30 2.769 -2.950 -3.408 1.00 0.60 H new ATOM 0 HB3 LEU B 30 1.198 -2.176 -3.449 1.00 0.60 H new ATOM 0 HG LEU B 30 2.554 0.035 -3.072 1.00 0.69 H new ATOM 0 HD11 LEU B 30 4.793 -0.024 -4.093 1.00 0.74 H new ATOM 0 HD12 LEU B 30 4.706 -1.029 -2.626 1.00 0.74 H new ATOM 0 HD13 LEU B 30 4.676 -1.795 -4.232 1.00 0.74 H new ATOM 0 HD21 LEU B 30 2.806 0.287 -5.510 1.00 0.75 H new ATOM 0 HD22 LEU B 30 2.606 -1.470 -5.707 1.00 0.75 H new ATOM 0 HD23 LEU B 30 1.262 -0.486 -5.081 1.00 0.75 H new ATOM 1496 N GLN B 31 2.283 -0.083 -0.194 1.00 0.50 N ATOM 1497 CA GLN B 31 1.805 1.182 0.356 1.00 0.50 C ATOM 1498 C GLN B 31 2.557 2.354 -0.272 1.00 0.51 C ATOM 1499 O GLN B 31 3.763 2.504 -0.084 1.00 0.60 O ATOM 1500 CB GLN B 31 1.966 1.201 1.883 1.00 0.53 C ATOM 1501 CG GLN B 31 1.543 -0.092 2.569 1.00 0.57 C ATOM 1502 CD GLN B 31 1.893 -0.119 4.045 1.00 0.75 C ATOM 1503 OE1 GLN B 31 2.999 -0.500 4.425 1.00 1.08 O ATOM 1504 NE2 GLN B 31 0.945 0.274 4.889 1.00 1.01 N ATOM 0 H GLN B 31 3.219 -0.350 0.113 1.00 0.50 H new ATOM 0 HA GLN B 31 0.746 1.282 0.119 1.00 0.50 H new ATOM 0 HB2 GLN B 31 3.009 1.404 2.125 1.00 0.53 H new ATOM 0 HB3 GLN B 31 1.379 2.024 2.289 1.00 0.53 H new ATOM 0 HG2 GLN B 31 0.467 -0.224 2.453 1.00 0.57 H new ATOM 0 HG3 GLN B 31 2.023 -0.935 2.072 1.00 0.57 H new ATOM 0 HE21 GLN B 31 0.041 0.583 4.532 1.00 1.01 H new ATOM 0 HE22 GLN B 31 1.122 0.267 5.894 1.00 1.01 H new ATOM 1513 N VAL B 32 1.831 3.177 -1.023 1.00 0.49 N ATOM 1514 CA VAL B 32 2.417 4.334 -1.694 1.00 0.51 C ATOM 1515 C VAL B 32 2.195 5.615 -0.893 1.00 0.49 C ATOM 1516 O VAL B 32 1.069 6.077 -0.746 1.00 0.61 O ATOM 1517 CB VAL B 32 1.829 4.519 -3.110 1.00 0.56 C ATOM 1518 CG1 VAL B 32 2.630 5.546 -3.903 1.00 0.61 C ATOM 1519 CG2 VAL B 32 1.775 3.189 -3.849 1.00 0.59 C ATOM 0 H VAL B 32 0.830 3.063 -1.183 1.00 0.49 H new ATOM 0 HA VAL B 32 3.487 4.142 -1.772 1.00 0.51 H new ATOM 0 HB VAL B 32 0.811 4.893 -3.006 1.00 0.56 H new ATOM 0 HG11 VAL B 32 2.196 5.658 -4.896 1.00 0.61 H new ATOM 0 HG12 VAL B 32 2.605 6.505 -3.386 1.00 0.61 H new ATOM 0 HG13 VAL B 32 3.663 5.210 -3.994 1.00 0.61 H new ATOM 0 HG21 VAL B 32 1.358 3.342 -4.844 1.00 0.59 H new ATOM 0 HG22 VAL B 32 2.782 2.780 -3.937 1.00 0.59 H new ATOM 0 HG23 VAL B 32 1.147 2.491 -3.296 1.00 0.59 H new ATOM 1529 N PHE B 33 3.280 6.182 -0.381 1.00 0.48 N ATOM 1530 CA PHE B 33 3.213 7.412 0.400 1.00 0.48 C ATOM 1531 C PHE B 33 3.514 8.620 -0.486 1.00 0.50 C ATOM 1532 O PHE B 33 4.521 8.639 -1.195 1.00 0.56 O ATOM 1533 CB PHE B 33 4.219 7.359 1.557 1.00 0.53 C ATOM 1534 CG PHE B 33 3.727 6.622 2.774 1.00 0.57 C ATOM 1535 CD1 PHE B 33 3.822 5.241 2.859 1.00 0.65 C ATOM 1536 CD2 PHE B 33 3.177 7.317 3.842 1.00 0.70 C ATOM 1537 CE1 PHE B 33 3.379 4.568 3.983 1.00 0.78 C ATOM 1538 CE2 PHE B 33 2.732 6.649 4.967 1.00 0.85 C ATOM 1539 CZ PHE B 33 2.833 5.274 5.039 1.00 0.86 C ATOM 0 H PHE B 33 4.222 5.808 -0.493 1.00 0.48 H new ATOM 0 HA PHE B 33 2.206 7.510 0.805 1.00 0.48 H new ATOM 0 HB2 PHE B 33 5.135 6.884 1.205 1.00 0.53 H new ATOM 0 HB3 PHE B 33 4.478 8.378 1.844 1.00 0.53 H new ATOM 0 HD1 PHE B 33 4.247 4.684 2.037 1.00 0.65 H new ATOM 0 HD2 PHE B 33 3.096 8.393 3.793 1.00 0.70 H new ATOM 0 HE1 PHE B 33 3.459 3.492 4.036 1.00 0.78 H new ATOM 0 HE2 PHE B 33 2.305 7.203 5.790 1.00 0.85 H new ATOM 0 HZ PHE B 33 2.486 4.751 5.918 1.00 0.86 H new ATOM 1549 N ALA B 34 2.640 9.625 -0.454 1.00 0.50 N ATOM 1550 CA ALA B 34 2.845 10.828 -1.258 1.00 0.55 C ATOM 1551 C ALA B 34 3.488 11.941 -0.431 1.00 0.54 C ATOM 1552 O ALA B 34 4.163 11.675 0.567 1.00 0.58 O ATOM 1553 CB ALA B 34 1.528 11.298 -1.864 1.00 0.61 C ATOM 0 H ALA B 34 1.792 9.631 0.113 1.00 0.50 H new ATOM 0 HA ALA B 34 3.528 10.578 -2.070 1.00 0.55 H new ATOM 0 HB1 ALA B 34 1.701 12.195 -2.459 1.00 0.61 H new ATOM 0 HB2 ALA B 34 1.120 10.513 -2.501 1.00 0.61 H new ATOM 0 HB3 ALA B 34 0.820 11.523 -1.066 1.00 0.61 H new ATOM 1559 N ILE B 35 3.285 13.186 -0.858 1.00 0.60 N ATOM 1560 CA ILE B 35 3.841 14.347 -0.171 1.00 0.63 C ATOM 1561 C ILE B 35 3.126 14.590 1.161 1.00 0.59 C ATOM 1562 O ILE B 35 1.918 14.829 1.195 1.00 0.63 O ATOM 1563 CB ILE B 35 3.741 15.617 -1.053 1.00 0.75 C ATOM 1564 CG1 ILE B 35 4.580 15.460 -2.327 1.00 0.90 C ATOM 1565 CG2 ILE B 35 4.182 16.855 -0.285 1.00 0.77 C ATOM 1566 CD1 ILE B 35 3.804 14.921 -3.512 1.00 1.10 C ATOM 0 H ILE B 35 2.734 13.416 -1.685 1.00 0.60 H new ATOM 0 HA ILE B 35 4.892 14.137 0.025 1.00 0.63 H new ATOM 0 HB ILE B 35 2.696 15.743 -1.335 1.00 0.75 H new ATOM 0 HG12 ILE B 35 5.003 16.429 -2.593 1.00 0.90 H new ATOM 0 HG13 ILE B 35 5.416 14.793 -2.119 1.00 0.90 H new ATOM 0 HG21 ILE B 35 4.101 17.731 -0.929 1.00 0.77 H new ATOM 0 HG22 ILE B 35 3.544 16.987 0.589 1.00 0.77 H new ATOM 0 HG23 ILE B 35 5.217 16.735 0.036 1.00 0.77 H new ATOM 0 HD11 ILE B 35 4.466 14.839 -4.374 1.00 1.10 H new ATOM 0 HD12 ILE B 35 3.403 13.937 -3.267 1.00 1.10 H new ATOM 0 HD13 ILE B 35 2.984 15.599 -3.748 1.00 1.10 H new ATOM 1578 N GLY B 36 3.884 14.521 2.252 1.00 0.58 N ATOM 1579 CA GLY B 36 3.318 14.738 3.571 1.00 0.59 C ATOM 1580 C GLY B 36 4.087 15.778 4.365 1.00 0.63 C ATOM 1581 O GLY B 36 4.922 16.492 3.808 1.00 0.63 O ATOM 0 H GLY B 36 4.884 14.318 2.245 1.00 0.58 H new ATOM 0 HA2 GLY B 36 2.280 15.055 3.471 1.00 0.59 H new ATOM 0 HA3 GLY B 36 3.312 13.797 4.120 1.00 0.59 H new ATOM 1585 N PRO B 37 3.823 15.887 5.681 1.00 0.67 N ATOM 1586 CA PRO B 37 4.496 16.849 6.560 1.00 0.73 C ATOM 1587 C PRO B 37 5.888 16.388 6.987 1.00 0.71 C ATOM 1588 O PRO B 37 6.635 17.142 7.613 1.00 0.77 O ATOM 1589 CB PRO B 37 3.570 16.929 7.787 1.00 0.79 C ATOM 1590 CG PRO B 37 2.392 16.055 7.486 1.00 0.77 C ATOM 1591 CD PRO B 37 2.836 15.096 6.422 1.00 0.69 C ATOM 0 HA PRO B 37 4.653 17.803 6.057 1.00 0.73 H new ATOM 0 HB2 PRO B 37 4.086 16.590 8.685 1.00 0.79 H new ATOM 0 HB3 PRO B 37 3.255 17.956 7.969 1.00 0.79 H new ATOM 0 HG2 PRO B 37 2.067 15.521 8.379 1.00 0.77 H new ATOM 0 HG3 PRO B 37 1.545 16.649 7.144 1.00 0.77 H new ATOM 0 HD2 PRO B 37 3.274 14.193 6.846 1.00 0.69 H new ATOM 0 HD3 PRO B 37 2.008 14.781 5.787 1.00 0.69 H new ATOM 1599 N GLN B 38 6.234 15.149 6.649 1.00 0.65 N ATOM 1600 CA GLN B 38 7.544 14.589 7.014 1.00 0.65 C ATOM 1601 C GLN B 38 8.456 14.348 5.801 1.00 0.61 C ATOM 1602 O GLN B 38 9.667 14.197 5.945 1.00 0.63 O ATOM 1603 CB GLN B 38 7.329 13.291 7.804 1.00 0.65 C ATOM 1604 CG GLN B 38 6.631 12.183 7.007 1.00 0.59 C ATOM 1605 CD GLN B 38 6.460 10.936 7.867 1.00 0.63 C ATOM 1606 OE1 GLN B 38 5.786 10.925 8.883 1.00 0.71 O ATOM 1607 NE2 GLN B 38 7.031 9.847 7.416 1.00 0.61 N ATOM 0 H GLN B 38 5.633 14.512 6.126 1.00 0.65 H new ATOM 0 HA GLN B 38 8.061 15.324 7.632 1.00 0.65 H new ATOM 0 HB2 GLN B 38 8.296 12.923 8.148 1.00 0.65 H new ATOM 0 HB3 GLN B 38 6.738 13.512 8.693 1.00 0.65 H new ATOM 0 HG2 GLN B 38 5.657 12.532 6.664 1.00 0.59 H new ATOM 0 HG3 GLN B 38 7.215 11.942 6.119 1.00 0.59 H new ATOM 0 HE21 GLN B 38 7.590 9.880 6.564 1.00 0.61 H new ATOM 0 HE22 GLN B 38 6.916 8.966 7.917 1.00 0.61 H new ATOM 1616 N CYS B 39 7.846 14.240 4.625 1.00 0.56 N ATOM 1617 CA CYS B 39 8.584 13.962 3.399 1.00 0.54 C ATOM 1618 C CYS B 39 7.924 14.636 2.201 1.00 0.59 C ATOM 1619 O CYS B 39 6.730 14.465 1.963 1.00 0.67 O ATOM 1620 CB CYS B 39 8.638 12.444 3.177 1.00 0.48 C ATOM 1621 SG CYS B 39 10.037 11.867 2.161 1.00 0.47 S ATOM 0 H CYS B 39 6.839 14.341 4.496 1.00 0.56 H new ATOM 0 HA CYS B 39 9.594 14.360 3.499 1.00 0.54 H new ATOM 0 HB2 CYS B 39 8.685 11.951 4.148 1.00 0.48 H new ATOM 0 HB3 CYS B 39 7.709 12.127 2.703 1.00 0.48 H new ATOM 1626 N SER B 40 8.708 15.396 1.443 1.00 0.64 N ATOM 1627 CA SER B 40 8.192 16.090 0.267 1.00 0.73 C ATOM 1628 C SER B 40 8.532 15.314 -1.007 1.00 0.72 C ATOM 1629 O SER B 40 8.839 15.900 -2.046 1.00 1.00 O ATOM 1630 CB SER B 40 8.768 17.508 0.200 1.00 0.87 C ATOM 1631 OG SER B 40 8.062 18.307 -0.734 1.00 1.01 O ATOM 0 H SER B 40 9.701 15.547 1.621 1.00 0.64 H new ATOM 0 HA SER B 40 7.107 16.155 0.348 1.00 0.73 H new ATOM 0 HB2 SER B 40 8.720 17.969 1.186 1.00 0.87 H new ATOM 0 HB3 SER B 40 9.821 17.462 -0.079 1.00 0.87 H new ATOM 0 HG SER B 40 8.030 17.848 -1.599 1.00 1.01 H new ATOM 1637 N LYS B 41 8.462 13.987 -0.920 1.00 0.66 N ATOM 1638 CA LYS B 41 8.769 13.123 -2.054 1.00 0.64 C ATOM 1639 C LYS B 41 7.926 11.847 -2.010 1.00 0.61 C ATOM 1640 O LYS B 41 7.489 11.420 -0.941 1.00 0.61 O ATOM 1641 CB LYS B 41 10.257 12.764 -2.044 1.00 0.64 C ATOM 1642 CG LYS B 41 10.772 12.223 -3.367 1.00 0.71 C ATOM 1643 CD LYS B 41 12.181 11.671 -3.230 1.00 0.81 C ATOM 1644 CE LYS B 41 12.713 11.164 -4.561 1.00 0.97 C ATOM 1645 NZ LYS B 41 14.032 10.489 -4.413 1.00 1.16 N ATOM 0 H LYS B 41 8.194 13.487 -0.072 1.00 0.66 H new ATOM 0 HA LYS B 41 8.531 13.661 -2.972 1.00 0.64 H new ATOM 0 HB2 LYS B 41 10.832 13.651 -1.777 1.00 0.64 H new ATOM 0 HB3 LYS B 41 10.436 12.022 -1.266 1.00 0.64 H new ATOM 0 HG2 LYS B 41 10.106 11.438 -3.725 1.00 0.71 H new ATOM 0 HG3 LYS B 41 10.761 13.016 -4.115 1.00 0.71 H new ATOM 0 HD2 LYS B 41 12.841 12.448 -2.845 1.00 0.81 H new ATOM 0 HD3 LYS B 41 12.186 10.860 -2.502 1.00 0.81 H new ATOM 0 HE2 LYS B 41 11.996 10.468 -4.997 1.00 0.97 H new ATOM 0 HE3 LYS B 41 12.809 11.999 -5.255 1.00 0.97 H new ATOM 0 HZ1 LYS B 41 14.359 10.158 -5.343 1.00 1.16 H new ATOM 0 HZ2 LYS B 41 14.723 11.160 -4.021 1.00 1.16 H new ATOM 0 HZ3 LYS B 41 13.936 9.676 -3.771 1.00 1.16 H new ATOM 1659 N VAL B 42 7.700 11.250 -3.178 1.00 0.61 N ATOM 1660 CA VAL B 42 6.922 10.017 -3.274 1.00 0.62 C ATOM 1661 C VAL B 42 7.815 8.790 -3.093 1.00 0.60 C ATOM 1662 O VAL B 42 8.843 8.652 -3.760 1.00 0.68 O ATOM 1663 CB VAL B 42 6.173 9.915 -4.622 1.00 0.68 C ATOM 1664 CG1 VAL B 42 4.981 10.857 -4.642 1.00 0.72 C ATOM 1665 CG2 VAL B 42 7.106 10.210 -5.791 1.00 0.78 C ATOM 0 H VAL B 42 8.045 11.600 -4.072 1.00 0.61 H new ATOM 0 HA VAL B 42 6.185 10.046 -2.472 1.00 0.62 H new ATOM 0 HB VAL B 42 5.810 8.893 -4.729 1.00 0.68 H new ATOM 0 HG11 VAL B 42 4.466 10.772 -5.599 1.00 0.72 H new ATOM 0 HG12 VAL B 42 4.296 10.594 -3.836 1.00 0.72 H new ATOM 0 HG13 VAL B 42 5.325 11.882 -4.506 1.00 0.72 H new ATOM 0 HG21 VAL B 42 6.553 10.131 -6.727 1.00 0.78 H new ATOM 0 HG22 VAL B 42 7.507 11.218 -5.691 1.00 0.78 H new ATOM 0 HG23 VAL B 42 7.926 9.492 -5.792 1.00 0.78 H new ATOM 1675 N GLU B 43 7.425 7.906 -2.177 1.00 0.56 N ATOM 1676 CA GLU B 43 8.196 6.698 -1.902 1.00 0.54 C ATOM 1677 C GLU B 43 7.274 5.487 -1.847 1.00 0.53 C ATOM 1678 O GLU B 43 6.254 5.502 -1.157 1.00 0.57 O ATOM 1679 CB GLU B 43 8.962 6.851 -0.583 1.00 0.54 C ATOM 1680 CG GLU B 43 9.853 8.083 -0.545 1.00 0.61 C ATOM 1681 CD GLU B 43 10.541 8.278 0.785 1.00 0.68 C ATOM 1682 OE1 GLU B 43 9.874 8.134 1.829 1.00 0.80 O ATOM 1683 OE2 GLU B 43 11.747 8.588 0.780 1.00 0.77 O ATOM 0 H GLU B 43 6.580 8.004 -1.614 1.00 0.56 H new ATOM 0 HA GLU B 43 8.916 6.547 -2.706 1.00 0.54 H new ATOM 0 HB2 GLU B 43 8.249 6.901 0.240 1.00 0.54 H new ATOM 0 HB3 GLU B 43 9.574 5.963 -0.421 1.00 0.54 H new ATOM 0 HG2 GLU B 43 10.607 8.003 -1.328 1.00 0.61 H new ATOM 0 HG3 GLU B 43 9.253 8.965 -0.769 1.00 0.61 H new ATOM 1690 N VAL B 44 7.635 4.432 -2.576 1.00 0.51 N ATOM 1691 CA VAL B 44 6.817 3.226 -2.617 1.00 0.51 C ATOM 1692 C VAL B 44 7.359 2.126 -1.709 1.00 0.49 C ATOM 1693 O VAL B 44 8.374 1.493 -1.995 1.00 0.53 O ATOM 1694 CB VAL B 44 6.664 2.674 -4.051 1.00 0.55 C ATOM 1695 CG1 VAL B 44 5.603 3.449 -4.812 1.00 0.60 C ATOM 1696 CG2 VAL B 44 7.986 2.715 -4.798 1.00 0.59 C ATOM 0 H VAL B 44 8.483 4.390 -3.142 1.00 0.51 H new ATOM 0 HA VAL B 44 5.836 3.527 -2.250 1.00 0.51 H new ATOM 0 HB VAL B 44 6.349 1.633 -3.976 1.00 0.55 H new ATOM 0 HG11 VAL B 44 5.510 3.045 -5.820 1.00 0.60 H new ATOM 0 HG12 VAL B 44 4.647 3.360 -4.296 1.00 0.60 H new ATOM 0 HG13 VAL B 44 5.889 4.499 -4.867 1.00 0.60 H new ATOM 0 HG21 VAL B 44 7.848 2.320 -5.805 1.00 0.59 H new ATOM 0 HG22 VAL B 44 8.339 3.745 -4.857 1.00 0.59 H new ATOM 0 HG23 VAL B 44 8.722 2.109 -4.269 1.00 0.59 H new ATOM 1706 N VAL B 45 6.669 1.927 -0.599 1.00 0.47 N ATOM 1707 CA VAL B 45 7.025 0.883 0.385 1.00 0.46 C ATOM 1708 C VAL B 45 6.240 -0.421 0.107 1.00 0.48 C ATOM 1709 O VAL B 45 5.194 -0.438 -0.545 1.00 0.51 O ATOM 1710 CB VAL B 45 6.884 1.369 1.846 1.00 0.46 C ATOM 1711 CG1 VAL B 45 7.075 2.863 1.978 1.00 0.61 C ATOM 1712 CG2 VAL B 45 5.507 1.239 2.456 1.00 0.62 C ATOM 0 H VAL B 45 5.848 2.474 -0.342 1.00 0.47 H new ATOM 0 HA VAL B 45 8.084 0.659 0.259 1.00 0.46 H new ATOM 0 HB VAL B 45 7.628 0.738 2.333 1.00 0.46 H new ATOM 0 HG11 VAL B 45 6.966 3.153 3.023 1.00 0.61 H new ATOM 0 HG12 VAL B 45 8.071 3.135 1.628 1.00 0.61 H new ATOM 0 HG13 VAL B 45 6.326 3.380 1.378 1.00 0.61 H new ATOM 0 HG21 VAL B 45 5.527 1.610 3.481 1.00 0.62 H new ATOM 0 HG22 VAL B 45 4.794 1.822 1.873 1.00 0.62 H new ATOM 0 HG23 VAL B 45 5.206 0.191 2.455 1.00 0.62 H new ATOM 1722 N ALA B 46 6.854 -1.531 0.463 1.00 0.48 N ATOM 1723 CA ALA B 46 6.252 -2.867 0.274 1.00 0.51 C ATOM 1724 C ALA B 46 6.537 -3.777 1.472 1.00 0.51 C ATOM 1725 O ALA B 46 7.512 -3.579 2.201 1.00 0.50 O ATOM 1726 CB ALA B 46 6.789 -3.504 -1.012 1.00 0.55 C ATOM 0 H ALA B 46 7.780 -1.550 0.891 1.00 0.48 H new ATOM 0 HA ALA B 46 5.172 -2.746 0.193 1.00 0.51 H new ATOM 0 HB1 ALA B 46 6.341 -4.489 -1.145 1.00 0.55 H new ATOM 0 HB2 ALA B 46 6.537 -2.872 -1.864 1.00 0.55 H new ATOM 0 HB3 ALA B 46 7.872 -3.605 -0.943 1.00 0.55 H new ATOM 1732 N SER B 47 5.642 -4.734 1.675 1.00 0.54 N ATOM 1733 CA SER B 47 5.783 -5.746 2.737 1.00 0.57 C ATOM 1734 C SER B 47 5.734 -7.156 2.143 1.00 0.60 C ATOM 1735 O SER B 47 4.863 -7.493 1.331 1.00 0.63 O ATOM 1736 CB SER B 47 4.677 -5.616 3.785 1.00 0.60 C ATOM 1737 OG SER B 47 4.649 -4.283 4.302 1.00 0.58 O ATOM 0 H SER B 47 4.796 -4.839 1.115 1.00 0.54 H new ATOM 0 HA SER B 47 6.747 -5.577 3.217 1.00 0.57 H new ATOM 0 HB2 SER B 47 3.713 -5.863 3.341 1.00 0.60 H new ATOM 0 HB3 SER B 47 4.846 -6.326 4.595 1.00 0.60 H new ATOM 0 HG SER B 47 3.937 -4.207 4.971 1.00 0.58 H new ATOM 1743 N LEU B 48 6.675 -7.986 2.577 1.00 0.62 N ATOM 1744 CA LEU B 48 6.756 -9.366 2.119 1.00 0.67 C ATOM 1745 C LEU B 48 5.746 -10.237 2.861 1.00 0.71 C ATOM 1746 O LEU B 48 5.193 -9.825 3.881 1.00 0.70 O ATOM 1747 CB LEU B 48 8.170 -9.921 2.328 1.00 0.68 C ATOM 1748 CG LEU B 48 9.176 -9.614 1.214 1.00 0.70 C ATOM 1749 CD1 LEU B 48 9.631 -8.163 1.276 1.00 0.70 C ATOM 1750 CD2 LEU B 48 10.369 -10.554 1.307 1.00 0.75 C ATOM 0 H LEU B 48 7.396 -7.724 3.249 1.00 0.62 H new ATOM 0 HA LEU B 48 6.523 -9.383 1.054 1.00 0.67 H new ATOM 0 HB2 LEU B 48 8.561 -9.524 3.265 1.00 0.68 H new ATOM 0 HB3 LEU B 48 8.102 -11.003 2.443 1.00 0.68 H new ATOM 0 HG LEU B 48 8.683 -9.771 0.255 1.00 0.70 H new ATOM 0 HD11 LEU B 48 10.345 -7.971 0.475 1.00 0.70 H new ATOM 0 HD12 LEU B 48 8.769 -7.506 1.159 1.00 0.70 H new ATOM 0 HD13 LEU B 48 10.106 -7.971 2.238 1.00 0.70 H new ATOM 0 HD21 LEU B 48 11.076 -10.325 0.510 1.00 0.75 H new ATOM 0 HD22 LEU B 48 10.858 -10.427 2.273 1.00 0.75 H new ATOM 0 HD23 LEU B 48 10.029 -11.585 1.205 1.00 0.75 H new ATOM 1762 N LYS B 49 5.513 -11.442 2.346 1.00 0.76 N ATOM 1763 CA LYS B 49 4.576 -12.372 2.969 1.00 0.82 C ATOM 1764 C LYS B 49 5.169 -12.950 4.256 1.00 0.84 C ATOM 1765 O LYS B 49 4.453 -13.500 5.095 1.00 0.89 O ATOM 1766 CB LYS B 49 4.215 -13.499 1.994 1.00 0.89 C ATOM 1767 CG LYS B 49 3.019 -14.335 2.430 1.00 0.98 C ATOM 1768 CD LYS B 49 1.748 -13.501 2.514 1.00 1.05 C ATOM 1769 CE LYS B 49 0.557 -14.338 2.954 1.00 1.23 C ATOM 1770 NZ LYS B 49 0.764 -14.935 4.303 1.00 1.27 N ATOM 0 H LYS B 49 5.960 -11.796 1.500 1.00 0.76 H new ATOM 0 HA LYS B 49 3.667 -11.827 3.223 1.00 0.82 H new ATOM 0 HB2 LYS B 49 4.006 -13.066 1.016 1.00 0.89 H new ATOM 0 HB3 LYS B 49 5.079 -14.153 1.875 1.00 0.89 H new ATOM 0 HG2 LYS B 49 2.871 -15.153 1.725 1.00 0.98 H new ATOM 0 HG3 LYS B 49 3.224 -14.784 3.402 1.00 0.98 H new ATOM 0 HD2 LYS B 49 1.896 -12.681 3.216 1.00 1.05 H new ATOM 0 HD3 LYS B 49 1.540 -13.054 1.542 1.00 1.05 H new ATOM 0 HE2 LYS B 49 -0.338 -13.717 2.966 1.00 1.23 H new ATOM 0 HE3 LYS B 49 0.384 -15.133 2.228 1.00 1.23 H new ATOM 0 HZ1 LYS B 49 -0.135 -15.324 4.652 1.00 1.27 H new ATOM 0 HZ2 LYS B 49 1.470 -15.697 4.241 1.00 1.27 H new ATOM 0 HZ3 LYS B 49 1.102 -14.202 4.959 1.00 1.27 H new ATOM 1784 N ASN B 50 6.484 -12.805 4.402 1.00 0.81 N ATOM 1785 CA ASN B 50 7.193 -13.296 5.580 1.00 0.84 C ATOM 1786 C ASN B 50 7.032 -12.329 6.752 1.00 0.80 C ATOM 1787 O ASN B 50 7.183 -12.717 7.911 1.00 0.97 O ATOM 1788 CB ASN B 50 8.681 -13.480 5.262 1.00 0.86 C ATOM 1789 CG ASN B 50 8.917 -14.410 4.087 1.00 0.94 C ATOM 1790 OD1 ASN B 50 8.153 -15.347 3.855 1.00 0.99 O ATOM 1791 ND2 ASN B 50 9.981 -14.152 3.335 1.00 0.97 N ATOM 0 H ASN B 50 7.083 -12.348 3.714 1.00 0.81 H new ATOM 0 HA ASN B 50 6.763 -14.258 5.860 1.00 0.84 H new ATOM 0 HB2 ASN B 50 9.125 -12.508 5.046 1.00 0.86 H new ATOM 0 HB3 ASN B 50 9.190 -13.875 6.141 1.00 0.86 H new ATOM 0 HD21 ASN B 50 10.191 -14.741 2.529 1.00 0.97 H new ATOM 0 HD22 ASN B 50 10.588 -13.365 3.563 1.00 0.97 H new ATOM 1798 N GLY B 51 6.726 -11.071 6.441 1.00 0.67 N ATOM 1799 CA GLY B 51 6.547 -10.066 7.474 1.00 0.65 C ATOM 1800 C GLY B 51 7.717 -9.107 7.560 1.00 0.60 C ATOM 1801 O GLY B 51 8.166 -8.762 8.654 1.00 0.67 O ATOM 0 H GLY B 51 6.599 -10.730 5.488 1.00 0.67 H new ATOM 0 HA2 GLY B 51 5.635 -9.504 7.275 1.00 0.65 H new ATOM 0 HA3 GLY B 51 6.414 -10.559 8.437 1.00 0.65 H new ATOM 1805 N LYS B 52 8.215 -8.676 6.402 1.00 0.57 N ATOM 1806 CA LYS B 52 9.342 -7.750 6.348 1.00 0.55 C ATOM 1807 C LYS B 52 9.024 -6.555 5.456 1.00 0.51 C ATOM 1808 O LYS B 52 8.785 -6.709 4.259 1.00 0.60 O ATOM 1809 CB LYS B 52 10.596 -8.463 5.831 1.00 0.59 C ATOM 1810 CG LYS B 52 11.122 -9.539 6.769 1.00 0.66 C ATOM 1811 CD LYS B 52 12.323 -10.262 6.179 1.00 0.79 C ATOM 1812 CE LYS B 52 13.544 -9.357 6.102 1.00 0.86 C ATOM 1813 NZ LYS B 52 14.724 -10.065 5.537 1.00 1.05 N ATOM 0 H LYS B 52 7.855 -8.954 5.489 1.00 0.57 H new ATOM 0 HA LYS B 52 9.527 -7.389 7.360 1.00 0.55 H new ATOM 0 HB2 LYS B 52 10.373 -8.914 4.864 1.00 0.59 H new ATOM 0 HB3 LYS B 52 11.380 -7.724 5.665 1.00 0.59 H new ATOM 0 HG2 LYS B 52 11.401 -9.087 7.721 1.00 0.66 H new ATOM 0 HG3 LYS B 52 10.330 -10.259 6.977 1.00 0.66 H new ATOM 0 HD2 LYS B 52 12.556 -11.136 6.787 1.00 0.79 H new ATOM 0 HD3 LYS B 52 12.075 -10.624 5.181 1.00 0.79 H new ATOM 0 HE2 LYS B 52 13.313 -8.487 5.487 1.00 0.86 H new ATOM 0 HE3 LYS B 52 13.785 -8.987 7.099 1.00 0.86 H new ATOM 0 HZ1 LYS B 52 15.535 -9.415 5.501 1.00 1.05 H new ATOM 0 HZ2 LYS B 52 14.960 -10.880 6.138 1.00 1.05 H new ATOM 0 HZ3 LYS B 52 14.503 -10.396 4.576 1.00 1.05 H new ATOM 1827 N GLU B 53 9.022 -5.365 6.048 1.00 0.53 N ATOM 1828 CA GLU B 53 8.738 -4.129 5.300 1.00 0.50 C ATOM 1829 C GLU B 53 10.048 -3.480 4.844 1.00 0.50 C ATOM 1830 O GLU B 53 11.007 -3.354 5.612 1.00 0.52 O ATOM 1831 CB GLU B 53 7.927 -3.167 6.177 1.00 0.51 C ATOM 1832 CG GLU B 53 8.565 -2.968 7.558 1.00 0.66 C ATOM 1833 CD GLU B 53 7.766 -2.048 8.465 1.00 0.66 C ATOM 1834 OE1 GLU B 53 6.817 -2.572 9.085 1.00 0.67 O ATOM 1835 OE2 GLU B 53 8.180 -0.875 8.576 1.00 0.71 O ATOM 0 H GLU B 53 9.212 -5.223 7.040 1.00 0.53 H new ATOM 0 HA GLU B 53 8.150 -4.369 4.414 1.00 0.50 H new ATOM 0 HB2 GLU B 53 7.843 -2.203 5.675 1.00 0.51 H new ATOM 0 HB3 GLU B 53 6.915 -3.553 6.298 1.00 0.51 H new ATOM 0 HG2 GLU B 53 8.675 -3.938 8.043 1.00 0.66 H new ATOM 0 HG3 GLU B 53 9.568 -2.560 7.431 1.00 0.66 H new ATOM 1842 N ILE B 54 10.080 -3.138 3.577 1.00 0.47 N ATOM 1843 CA ILE B 54 11.257 -2.464 2.991 1.00 0.47 C ATOM 1844 C ILE B 54 10.815 -1.189 2.257 1.00 0.45 C ATOM 1845 O ILE B 54 9.620 -0.899 2.136 1.00 0.43 O ATOM 1846 CB ILE B 54 12.052 -3.430 2.090 1.00 0.49 C ATOM 1847 CG1 ILE B 54 11.204 -3.899 0.894 1.00 0.47 C ATOM 1848 CG2 ILE B 54 12.626 -4.590 2.925 1.00 0.52 C ATOM 1849 CD1 ILE B 54 11.966 -4.721 -0.149 1.00 0.49 C ATOM 0 H ILE B 54 9.318 -3.306 2.920 1.00 0.47 H new ATOM 0 HA ILE B 54 11.937 -2.162 3.787 1.00 0.47 H new ATOM 0 HB ILE B 54 12.903 -2.901 1.661 1.00 0.49 H new ATOM 0 HG12 ILE B 54 10.371 -4.495 1.268 1.00 0.47 H new ATOM 0 HG13 ILE B 54 10.776 -3.024 0.405 1.00 0.47 H new ATOM 0 HG21 ILE B 54 13.185 -5.264 2.276 1.00 0.52 H new ATOM 0 HG22 ILE B 54 13.290 -4.192 3.692 1.00 0.52 H new ATOM 0 HG23 ILE B 54 11.810 -5.136 3.399 1.00 0.52 H new ATOM 0 HD11 ILE B 54 11.288 -5.007 -0.953 1.00 0.49 H new ATOM 0 HD12 ILE B 54 12.782 -4.125 -0.557 1.00 0.49 H new ATOM 0 HD13 ILE B 54 12.371 -5.618 0.320 1.00 0.49 H new ATOM 1861 N CYS B 55 11.803 -0.506 1.703 1.00 0.45 N ATOM 1862 CA CYS B 55 11.577 0.711 0.915 1.00 0.44 C ATOM 1863 C CYS B 55 12.263 0.571 -0.436 1.00 0.45 C ATOM 1864 O CYS B 55 13.416 0.161 -0.536 1.00 0.48 O ATOM 1865 CB CYS B 55 12.163 1.919 1.635 1.00 0.44 C ATOM 1866 SG CYS B 55 11.268 2.369 3.163 1.00 0.44 S ATOM 0 H CYS B 55 12.784 -0.772 1.782 1.00 0.45 H new ATOM 0 HA CYS B 55 10.504 0.850 0.783 1.00 0.44 H new ATOM 0 HB2 CYS B 55 13.205 1.714 1.882 1.00 0.44 H new ATOM 0 HB3 CYS B 55 12.158 2.772 0.957 1.00 0.44 H new ATOM 1871 N LEU B 56 11.549 1.011 -1.447 1.00 0.44 N ATOM 1872 CA LEU B 56 12.037 0.927 -2.820 1.00 0.47 C ATOM 1873 C LEU B 56 12.265 2.348 -3.349 1.00 0.48 C ATOM 1874 O LEU B 56 11.602 3.301 -2.931 1.00 0.46 O ATOM 1875 CB LEU B 56 10.952 0.133 -3.563 1.00 0.46 C ATOM 1876 CG LEU B 56 10.646 -1.291 -3.080 1.00 0.46 C ATOM 1877 CD1 LEU B 56 9.712 -1.963 -4.085 1.00 0.47 C ATOM 1878 CD2 LEU B 56 11.906 -2.137 -2.882 1.00 0.49 C ATOM 0 H LEU B 56 10.625 1.433 -1.352 1.00 0.44 H new ATOM 0 HA LEU B 56 12.997 0.424 -2.940 1.00 0.47 H new ATOM 0 HB2 LEU B 56 10.027 0.708 -3.517 1.00 0.46 H new ATOM 0 HB3 LEU B 56 11.240 0.075 -4.613 1.00 0.46 H new ATOM 0 HG LEU B 56 10.169 -1.216 -2.103 1.00 0.46 H new ATOM 0 HD11 LEU B 56 9.488 -2.976 -3.752 1.00 0.47 H new ATOM 0 HD12 LEU B 56 8.786 -1.392 -4.160 1.00 0.47 H new ATOM 0 HD13 LEU B 56 10.195 -2.001 -5.062 1.00 0.47 H new ATOM 0 HD21 LEU B 56 11.625 -3.133 -2.540 1.00 0.49 H new ATOM 0 HD22 LEU B 56 12.444 -2.216 -3.827 1.00 0.49 H new ATOM 0 HD23 LEU B 56 12.548 -1.665 -2.138 1.00 0.49 H new ATOM 1890 N ASP B 57 13.188 2.534 -4.284 1.00 0.50 N ATOM 1891 CA ASP B 57 13.410 3.871 -4.851 1.00 0.52 C ATOM 1892 C ASP B 57 12.756 3.990 -6.234 1.00 0.54 C ATOM 1893 O ASP B 57 13.195 3.335 -7.178 1.00 0.59 O ATOM 1894 CB ASP B 57 14.905 4.182 -4.965 1.00 0.57 C ATOM 1895 CG ASP B 57 15.221 5.647 -4.717 1.00 0.58 C ATOM 1896 OD1 ASP B 57 14.617 6.513 -5.383 1.00 0.60 O ATOM 1897 OD2 ASP B 57 16.079 5.930 -3.855 1.00 0.63 O ATOM 0 H ASP B 57 13.786 1.799 -4.663 1.00 0.50 H new ATOM 0 HA ASP B 57 12.952 4.593 -4.175 1.00 0.52 H new ATOM 0 HB2 ASP B 57 15.455 3.570 -4.250 1.00 0.57 H new ATOM 0 HB3 ASP B 57 15.255 3.902 -5.959 1.00 0.57 H new ATOM 1902 N PRO B 58 11.699 4.837 -6.373 1.00 0.55 N ATOM 1903 CA PRO B 58 10.988 5.043 -7.656 1.00 0.61 C ATOM 1904 C PRO B 58 11.925 5.427 -8.801 1.00 0.69 C ATOM 1905 O PRO B 58 11.574 5.326 -9.977 1.00 0.83 O ATOM 1906 CB PRO B 58 10.035 6.202 -7.357 1.00 0.64 C ATOM 1907 CG PRO B 58 9.846 6.194 -5.882 1.00 0.60 C ATOM 1908 CD PRO B 58 11.118 5.652 -5.287 1.00 0.57 C ATOM 0 HA PRO B 58 10.494 4.129 -7.985 1.00 0.61 H new ATOM 0 HB2 PRO B 58 10.454 7.150 -7.693 1.00 0.64 H new ATOM 0 HB3 PRO B 58 9.085 6.072 -7.875 1.00 0.64 H new ATOM 0 HG2 PRO B 58 9.643 7.199 -5.512 1.00 0.60 H new ATOM 0 HG3 PRO B 58 8.994 5.574 -5.604 1.00 0.60 H new ATOM 0 HD2 PRO B 58 11.792 6.454 -4.985 1.00 0.57 H new ATOM 0 HD3 PRO B 58 10.920 5.052 -4.399 1.00 0.57 H new ATOM 1916 N GLU B 59 13.118 5.865 -8.424 1.00 0.65 N ATOM 1917 CA GLU B 59 14.169 6.274 -9.364 1.00 0.77 C ATOM 1918 C GLU B 59 14.686 5.121 -10.254 1.00 0.82 C ATOM 1919 O GLU B 59 15.350 5.352 -11.263 1.00 0.91 O ATOM 1920 CB GLU B 59 15.317 6.899 -8.565 1.00 0.83 C ATOM 1921 CG GLU B 59 16.347 7.557 -9.483 1.00 1.10 C ATOM 1922 CD GLU B 59 17.475 8.230 -8.713 1.00 1.18 C ATOM 1923 OE1 GLU B 59 18.167 7.511 -7.957 1.00 1.40 O ATOM 1924 OE2 GLU B 59 17.609 9.455 -8.901 1.00 1.28 O ATOM 0 H GLU B 59 13.393 5.950 -7.446 1.00 0.65 H new ATOM 0 HA GLU B 59 13.736 6.999 -10.053 1.00 0.77 H new ATOM 0 HB2 GLU B 59 14.918 7.641 -7.873 1.00 0.83 H new ATOM 0 HB3 GLU B 59 15.803 6.131 -7.963 1.00 0.83 H new ATOM 0 HG2 GLU B 59 16.767 6.804 -10.150 1.00 1.10 H new ATOM 0 HG3 GLU B 59 15.849 8.296 -10.110 1.00 1.10 H new ATOM 1931 N ALA B 60 14.398 3.885 -9.863 1.00 0.80 N ATOM 1932 CA ALA B 60 14.848 2.709 -10.609 1.00 0.88 C ATOM 1933 C ALA B 60 13.709 2.148 -11.482 1.00 0.91 C ATOM 1934 O ALA B 60 12.602 1.926 -10.984 1.00 0.89 O ATOM 1935 CB ALA B 60 15.355 1.680 -9.602 1.00 0.88 C ATOM 0 H ALA B 60 13.852 3.668 -9.029 1.00 0.80 H new ATOM 0 HA ALA B 60 15.656 2.974 -11.291 1.00 0.88 H new ATOM 0 HB1 ALA B 60 15.698 0.791 -10.131 1.00 0.88 H new ATOM 0 HB2 ALA B 60 16.182 2.105 -9.033 1.00 0.88 H new ATOM 0 HB3 ALA B 60 14.548 1.409 -8.921 1.00 0.88 H new ATOM 1941 N PRO B 61 14.017 1.814 -12.741 1.00 0.99 N ATOM 1942 CA PRO B 61 13.035 1.288 -13.711 1.00 1.03 C ATOM 1943 C PRO B 61 12.472 -0.087 -13.323 1.00 1.03 C ATOM 1944 O PRO B 61 11.257 -0.267 -13.286 1.00 1.01 O ATOM 1945 CB PRO B 61 13.794 1.234 -15.038 1.00 1.15 C ATOM 1946 CG PRO B 61 15.244 1.006 -14.612 1.00 1.19 C ATOM 1947 CD PRO B 61 15.369 1.848 -13.342 1.00 1.07 C ATOM 0 HA PRO B 61 12.153 1.926 -13.757 1.00 1.03 H new ATOM 0 HB2 PRO B 61 13.431 0.427 -15.675 1.00 1.15 H new ATOM 0 HB3 PRO B 61 13.682 2.160 -15.602 1.00 1.15 H new ATOM 0 HG2 PRO B 61 15.446 -0.047 -14.419 1.00 1.19 H new ATOM 0 HG3 PRO B 61 15.946 1.330 -15.381 1.00 1.19 H new ATOM 0 HD2 PRO B 61 16.116 1.435 -12.664 1.00 1.07 H new ATOM 0 HD3 PRO B 61 15.676 2.868 -13.571 1.00 1.07 H new ATOM 1955 N PHE B 62 13.350 -0.972 -12.840 1.00 1.06 N ATOM 1956 CA PHE B 62 12.953 -2.314 -12.361 1.00 1.08 C ATOM 1957 C PHE B 62 11.972 -2.230 -11.187 1.00 0.98 C ATOM 1958 O PHE B 62 11.117 -3.094 -11.008 1.00 0.98 O ATOM 1959 CB PHE B 62 14.174 -3.146 -11.951 1.00 1.15 C ATOM 1960 CG PHE B 62 14.935 -2.560 -10.758 1.00 1.11 C ATOM 1961 CD1 PHE B 62 14.571 -2.903 -9.464 1.00 1.07 C ATOM 1962 CD2 PHE B 62 16.009 -1.708 -10.982 1.00 1.14 C ATOM 1963 CE1 PHE B 62 15.282 -2.397 -8.388 1.00 1.07 C ATOM 1964 CE2 PHE B 62 16.731 -1.215 -9.906 1.00 1.14 C ATOM 1965 CZ PHE B 62 16.361 -1.550 -8.610 1.00 1.10 C ATOM 0 H PHE B 62 14.350 -0.787 -12.767 1.00 1.06 H new ATOM 0 HA PHE B 62 12.454 -2.807 -13.195 1.00 1.08 H new ATOM 0 HB2 PHE B 62 13.850 -4.157 -11.705 1.00 1.15 H new ATOM 0 HB3 PHE B 62 14.852 -3.227 -12.801 1.00 1.15 H new ATOM 0 HD1 PHE B 62 13.734 -3.564 -9.296 1.00 1.07 H new ATOM 0 HD2 PHE B 62 16.280 -1.431 -11.990 1.00 1.14 H new ATOM 0 HE1 PHE B 62 14.998 -2.660 -7.380 1.00 1.07 H new ATOM 0 HE2 PHE B 62 17.581 -0.571 -10.076 1.00 1.14 H new ATOM 0 HZ PHE B 62 16.914 -1.151 -7.772 1.00 1.10 H new ATOM 1975 N LEU B 63 12.065 -1.134 -10.454 1.00 0.90 N ATOM 1976 CA LEU B 63 11.194 -0.884 -9.325 1.00 0.80 C ATOM 1977 C LEU B 63 9.762 -0.660 -9.800 1.00 0.83 C ATOM 1978 O LEU B 63 8.816 -1.162 -9.202 1.00 0.83 O ATOM 1979 CB LEU B 63 11.686 0.345 -8.584 1.00 0.71 C ATOM 1980 CG LEU B 63 11.528 0.297 -7.081 1.00 0.64 C ATOM 1981 CD1 LEU B 63 12.904 0.251 -6.428 1.00 0.62 C ATOM 1982 CD2 LEU B 63 10.714 1.496 -6.620 1.00 0.62 C ATOM 0 H LEU B 63 12.746 -0.395 -10.627 1.00 0.90 H new ATOM 0 HA LEU B 63 11.208 -1.748 -8.661 1.00 0.80 H new ATOM 0 HB2 LEU B 63 12.740 0.493 -8.818 1.00 0.71 H new ATOM 0 HB3 LEU B 63 11.151 1.216 -8.962 1.00 0.71 H new ATOM 0 HG LEU B 63 10.990 -0.603 -6.782 1.00 0.64 H new ATOM 0 HD11 LEU B 63 12.792 0.216 -5.344 1.00 0.62 H new ATOM 0 HD12 LEU B 63 13.438 -0.637 -6.766 1.00 0.62 H new ATOM 0 HD13 LEU B 63 13.469 1.141 -6.706 1.00 0.62 H new ATOM 0 HD21 LEU B 63 10.599 1.463 -5.537 1.00 0.62 H new ATOM 0 HD22 LEU B 63 11.228 2.415 -6.903 1.00 0.62 H new ATOM 0 HD23 LEU B 63 9.731 1.471 -7.090 1.00 0.62 H new ATOM 1994 N LYS B 64 9.625 0.093 -10.890 1.00 0.87 N ATOM 1995 CA LYS B 64 8.322 0.403 -11.478 1.00 0.93 C ATOM 1996 C LYS B 64 7.664 -0.856 -12.055 1.00 0.97 C ATOM 1997 O LYS B 64 6.449 -0.927 -12.187 1.00 1.03 O ATOM 1998 CB LYS B 64 8.495 1.459 -12.573 1.00 1.02 C ATOM 1999 CG LYS B 64 7.186 1.987 -13.139 1.00 1.12 C ATOM 2000 CD LYS B 64 7.421 3.105 -14.143 1.00 1.30 C ATOM 2001 CE LYS B 64 8.165 2.609 -15.374 1.00 1.47 C ATOM 2002 NZ LYS B 64 8.356 3.688 -16.381 1.00 1.71 N ATOM 0 H LYS B 64 10.413 0.505 -11.390 1.00 0.87 H new ATOM 0 HA LYS B 64 7.670 0.792 -10.696 1.00 0.93 H new ATOM 0 HB2 LYS B 64 9.067 2.294 -12.170 1.00 1.02 H new ATOM 0 HB3 LYS B 64 9.083 1.032 -13.385 1.00 1.02 H new ATOM 0 HG2 LYS B 64 6.642 1.174 -13.620 1.00 1.12 H new ATOM 0 HG3 LYS B 64 6.559 2.353 -12.326 1.00 1.12 H new ATOM 0 HD2 LYS B 64 6.464 3.531 -14.444 1.00 1.30 H new ATOM 0 HD3 LYS B 64 7.992 3.904 -13.670 1.00 1.30 H new ATOM 0 HE2 LYS B 64 9.137 2.215 -15.076 1.00 1.47 H new ATOM 0 HE3 LYS B 64 7.611 1.786 -15.825 1.00 1.47 H new ATOM 0 HZ1 LYS B 64 8.867 3.309 -17.204 1.00 1.71 H new ATOM 0 HZ2 LYS B 64 7.429 4.047 -16.685 1.00 1.71 H new ATOM 0 HZ3 LYS B 64 8.906 4.463 -15.959 1.00 1.71 H new ATOM 2016 N LYS B 65 8.492 -1.839 -12.388 1.00 0.98 N ATOM 2017 CA LYS B 65 8.047 -3.125 -12.951 1.00 1.04 C ATOM 2018 C LYS B 65 7.433 -4.057 -11.903 1.00 1.02 C ATOM 2019 O LYS B 65 6.252 -4.391 -11.984 1.00 1.07 O ATOM 2020 CB LYS B 65 9.227 -3.824 -13.615 1.00 1.07 C ATOM 2021 CG LYS B 65 9.739 -3.033 -14.820 1.00 1.14 C ATOM 2022 CD LYS B 65 10.846 -3.801 -15.548 1.00 1.20 C ATOM 2023 CE LYS B 65 10.345 -5.105 -16.182 1.00 1.27 C ATOM 2024 NZ LYS B 65 9.332 -4.850 -17.216 1.00 1.36 N ATOM 0 H LYS B 65 9.504 -1.773 -12.277 1.00 0.98 H new ATOM 0 HA LYS B 65 7.268 -2.901 -13.679 1.00 1.04 H new ATOM 0 HB2 LYS B 65 10.032 -3.949 -12.891 1.00 1.07 H new ATOM 0 HB3 LYS B 65 8.928 -4.822 -13.934 1.00 1.07 H new ATOM 0 HG2 LYS B 65 8.916 -2.836 -15.507 1.00 1.14 H new ATOM 0 HG3 LYS B 65 10.118 -2.066 -14.491 1.00 1.14 H new ATOM 0 HD2 LYS B 65 11.273 -3.166 -16.324 1.00 1.20 H new ATOM 0 HD3 LYS B 65 11.647 -4.028 -14.845 1.00 1.20 H new ATOM 0 HE2 LYS B 65 11.185 -5.643 -16.620 1.00 1.27 H new ATOM 0 HE3 LYS B 65 9.923 -5.747 -15.409 1.00 1.27 H new ATOM 0 HZ1 LYS B 65 9.152 -5.725 -17.749 1.00 1.36 H new ATOM 0 HZ2 LYS B 65 8.450 -4.531 -16.767 1.00 1.36 H new ATOM 0 HZ3 LYS B 65 9.676 -4.114 -17.865 1.00 1.36 H new ATOM 2038 N VAL B 66 8.193 -4.334 -10.846 1.00 0.96 N ATOM 2039 CA VAL B 66 7.708 -5.176 -9.758 1.00 0.95 C ATOM 2040 C VAL B 66 6.489 -4.543 -9.065 1.00 0.95 C ATOM 2041 O VAL B 66 5.633 -5.259 -8.553 1.00 0.97 O ATOM 2042 CB VAL B 66 8.811 -5.470 -8.718 1.00 0.92 C ATOM 2043 CG1 VAL B 66 10.029 -6.067 -9.399 1.00 0.93 C ATOM 2044 CG2 VAL B 66 9.193 -4.217 -7.939 1.00 0.91 C ATOM 0 H VAL B 66 9.144 -3.988 -10.721 1.00 0.96 H new ATOM 0 HA VAL B 66 7.406 -6.123 -10.206 1.00 0.95 H new ATOM 0 HB VAL B 66 8.415 -6.193 -8.005 1.00 0.92 H new ATOM 0 HG11 VAL B 66 10.799 -6.270 -8.655 1.00 0.93 H new ATOM 0 HG12 VAL B 66 9.750 -6.997 -9.894 1.00 0.93 H new ATOM 0 HG13 VAL B 66 10.414 -5.364 -10.138 1.00 0.93 H new ATOM 0 HG21 VAL B 66 9.972 -4.461 -7.216 1.00 0.91 H new ATOM 0 HG22 VAL B 66 9.563 -3.458 -8.629 1.00 0.91 H new ATOM 0 HG23 VAL B 66 8.318 -3.834 -7.414 1.00 0.91 H new ATOM 2054 N ILE B 67 6.403 -3.201 -9.055 1.00 0.95 N ATOM 2055 CA ILE B 67 5.257 -2.525 -8.439 1.00 0.97 C ATOM 2056 C ILE B 67 4.105 -2.426 -9.435 1.00 1.02 C ATOM 2057 O ILE B 67 2.956 -2.221 -9.049 1.00 1.08 O ATOM 2058 CB ILE B 67 5.578 -1.118 -7.874 1.00 0.99 C ATOM 2059 CG1 ILE B 67 5.870 -0.116 -8.996 1.00 1.00 C ATOM 2060 CG2 ILE B 67 6.737 -1.187 -6.888 1.00 0.98 C ATOM 2061 CD1 ILE B 67 6.170 1.283 -8.498 1.00 1.07 C ATOM 0 H ILE B 67 7.101 -2.577 -9.459 1.00 0.95 H new ATOM 0 HA ILE B 67 4.975 -3.142 -7.586 1.00 0.97 H new ATOM 0 HB ILE B 67 4.696 -0.763 -7.341 1.00 0.99 H new ATOM 0 HG12 ILE B 67 6.718 -0.474 -9.580 1.00 1.00 H new ATOM 0 HG13 ILE B 67 5.013 -0.077 -9.669 1.00 1.00 H new ATOM 0 HG21 ILE B 67 6.947 -0.189 -6.503 1.00 0.98 H new ATOM 0 HG22 ILE B 67 6.473 -1.847 -6.062 1.00 0.98 H new ATOM 0 HG23 ILE B 67 7.622 -1.574 -7.393 1.00 0.98 H new ATOM 0 HD11 ILE B 67 6.367 1.937 -9.347 1.00 1.07 H new ATOM 0 HD12 ILE B 67 5.314 1.662 -7.939 1.00 1.07 H new ATOM 0 HD13 ILE B 67 7.045 1.258 -7.849 1.00 1.07 H new ATOM 2073 N GLN B 68 4.421 -2.535 -10.723 1.00 1.04 N ATOM 2074 CA GLN B 68 3.374 -2.531 -11.761 1.00 1.12 C ATOM 2075 C GLN B 68 2.646 -3.883 -11.795 1.00 1.11 C ATOM 2076 O GLN B 68 1.417 -3.931 -11.828 1.00 1.15 O ATOM 2077 CB GLN B 68 4.000 -2.241 -13.118 1.00 1.19 C ATOM 2078 CG GLN B 68 2.923 -2.039 -14.176 1.00 1.30 C ATOM 2079 CD GLN B 68 3.558 -1.720 -15.525 1.00 1.39 C ATOM 2080 OE1 GLN B 68 4.399 -2.427 -16.057 1.00 1.39 O ATOM 2081 NE2 GLN B 68 3.099 -0.634 -16.098 1.00 1.52 N ATOM 0 H GLN B 68 5.373 -2.626 -11.076 1.00 1.04 H new ATOM 0 HA GLN B 68 2.647 -1.754 -11.526 1.00 1.12 H new ATOM 0 HB2 GLN B 68 4.624 -1.350 -13.053 1.00 1.19 H new ATOM 0 HB3 GLN B 68 4.651 -3.066 -13.407 1.00 1.19 H new ATOM 0 HG2 GLN B 68 2.311 -2.938 -14.258 1.00 1.30 H new ATOM 0 HG3 GLN B 68 2.259 -1.227 -13.878 1.00 1.30 H new ATOM 0 HE21 GLN B 68 2.396 -0.066 -15.625 1.00 1.52 H new ATOM 0 HE22 GLN B 68 3.445 -0.357 -17.017 1.00 1.52 H new ATOM 2090 N LYS B 69 3.413 -4.971 -11.719 1.00 1.10 N ATOM 2091 CA LYS B 69 2.856 -6.327 -11.752 1.00 1.13 C ATOM 2092 C LYS B 69 1.877 -6.593 -10.604 1.00 1.15 C ATOM 2093 O LYS B 69 0.928 -7.358 -10.766 1.00 1.23 O ATOM 2094 CB LYS B 69 3.978 -7.365 -11.710 1.00 1.11 C ATOM 2095 CG LYS B 69 4.822 -7.411 -12.974 1.00 1.16 C ATOM 2096 CD LYS B 69 5.800 -8.574 -12.943 1.00 1.24 C ATOM 2097 CE LYS B 69 6.564 -8.700 -14.250 1.00 1.40 C ATOM 2098 NZ LYS B 69 7.445 -9.900 -14.264 1.00 1.61 N ATOM 0 H LYS B 69 4.429 -4.940 -11.634 1.00 1.10 H new ATOM 0 HA LYS B 69 2.301 -6.412 -12.686 1.00 1.13 H new ATOM 0 HB2 LYS B 69 4.626 -7.151 -10.860 1.00 1.11 H new ATOM 0 HB3 LYS B 69 3.543 -8.350 -11.539 1.00 1.11 H new ATOM 0 HG2 LYS B 69 4.172 -7.502 -13.844 1.00 1.16 H new ATOM 0 HG3 LYS B 69 5.370 -6.475 -13.082 1.00 1.16 H new ATOM 0 HD2 LYS B 69 6.504 -8.436 -12.122 1.00 1.24 H new ATOM 0 HD3 LYS B 69 5.259 -9.500 -12.747 1.00 1.24 H new ATOM 0 HE2 LYS B 69 5.859 -8.758 -15.079 1.00 1.40 H new ATOM 0 HE3 LYS B 69 7.167 -7.805 -14.406 1.00 1.40 H new ATOM 0 HZ1 LYS B 69 7.949 -9.950 -15.172 1.00 1.61 H new ATOM 0 HZ2 LYS B 69 8.135 -9.833 -13.489 1.00 1.61 H new ATOM 0 HZ3 LYS B 69 6.868 -10.756 -14.141 1.00 1.61 H new ATOM 2112 N ILE B 70 2.107 -5.970 -9.446 1.00 1.14 N ATOM 2113 CA ILE B 70 1.225 -6.168 -8.294 1.00 1.20 C ATOM 2114 C ILE B 70 0.000 -5.258 -8.360 1.00 1.31 C ATOM 2115 O ILE B 70 -1.033 -5.555 -7.758 1.00 1.43 O ATOM 2116 CB ILE B 70 1.957 -5.948 -6.952 1.00 1.18 C ATOM 2117 CG1 ILE B 70 2.711 -4.615 -6.955 1.00 1.17 C ATOM 2118 CG2 ILE B 70 2.905 -7.106 -6.678 1.00 1.29 C ATOM 2119 CD1 ILE B 70 3.494 -4.354 -5.685 1.00 1.30 C ATOM 0 H ILE B 70 2.886 -5.332 -9.282 1.00 1.14 H new ATOM 0 HA ILE B 70 0.899 -7.207 -8.340 1.00 1.20 H new ATOM 0 HB ILE B 70 1.216 -5.910 -6.154 1.00 1.18 H new ATOM 0 HG12 ILE B 70 3.395 -4.597 -7.803 1.00 1.17 H new ATOM 0 HG13 ILE B 70 1.997 -3.805 -7.104 1.00 1.17 H new ATOM 0 HG21 ILE B 70 3.416 -6.941 -5.730 1.00 1.29 H new ATOM 0 HG22 ILE B 70 2.339 -8.036 -6.628 1.00 1.29 H new ATOM 0 HG23 ILE B 70 3.640 -7.172 -7.480 1.00 1.29 H new ATOM 0 HD11 ILE B 70 4.001 -3.392 -5.761 1.00 1.30 H new ATOM 0 HD12 ILE B 70 2.813 -4.339 -4.834 1.00 1.30 H new ATOM 0 HD13 ILE B 70 4.233 -5.143 -5.544 1.00 1.30 H new