USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 602 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 27 SER OG : rot 81:sc= 0.838 USER MOD Set 2.2: A 30 SER OG : rot -69:sc= 0.856 USER MOD Single : A 1 VAL N :NH3+ 154:sc= -0.188 (180deg=-1.45!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= -0.0366 (180deg=-0.0366) USER MOD Single : A 13 SER OG : rot 180:sc= 0.00593 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0248 X(o=-0.025,f=-0.025) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 166:sc= 0.00127 USER MOD Single : A 25 GLN : amide:sc= -1.16 K(o=-1.2,f=-5.3!) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0915 USER MOD Single : A 31 THR OG1 : rot -49:sc= 0.504 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0316 K(o=-0.032,f=-0.68) USER MOD Single : A 46 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.16) USER MOD Single : A 47 SER OG : rot 180:sc= -0.332 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.154 K(o=-0.15,f=-2.7!) USER MOD Single : A 57 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.013) USER MOD Single : A 59 TYR OH : rot 102:sc= 0.588 USER MOD Single : A 60 MET CE :methyl -115:sc= -14.6! (180deg=-20.6!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.509 X(o=-0.51,f=-0.5) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -4.161 13.999 2.572 1.00 0.00 N ATOM 2 CA VAL A 1 -2.809 14.535 2.902 1.00 0.00 C ATOM 3 C VAL A 1 -1.722 13.596 2.370 1.00 0.00 C ATOM 4 O VAL A 1 -1.934 12.410 2.219 1.00 0.00 O ATOM 5 CB VAL A 1 -2.769 14.592 4.429 1.00 0.00 C ATOM 6 CG1 VAL A 1 -2.963 13.185 4.997 1.00 0.00 C ATOM 7 CG2 VAL A 1 -1.413 15.140 4.882 1.00 0.00 C ATOM 0 H1 VAL A 1 -4.852 14.351 3.265 1.00 0.00 H new ATOM 0 H2 VAL A 1 -4.436 14.312 1.619 1.00 0.00 H new ATOM 0 H3 VAL A 1 -4.139 12.960 2.602 1.00 0.00 H new ATOM 0 HA VAL A 1 -2.631 15.512 2.452 1.00 0.00 H new ATOM 0 HB VAL A 1 -3.565 15.243 4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -2.935 13.225 6.086 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -3.927 12.792 4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -2.166 12.534 4.637 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -1.383 15.181 5.971 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -0.618 14.487 4.521 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -1.272 16.142 4.477 1.00 0.00 H new ATOM 19 N VAL A 2 -0.558 14.118 2.088 1.00 0.00 N ATOM 20 CA VAL A 2 0.540 13.254 1.567 1.00 0.00 C ATOM 21 C VAL A 2 1.354 12.671 2.721 1.00 0.00 C ATOM 22 O VAL A 2 1.508 13.279 3.763 1.00 0.00 O ATOM 23 CB VAL A 2 1.403 14.178 0.699 1.00 0.00 C ATOM 24 CG1 VAL A 2 2.095 15.225 1.578 1.00 0.00 C ATOM 25 CG2 VAL A 2 2.462 13.350 -0.030 1.00 0.00 C ATOM 0 H VAL A 2 -0.321 15.104 2.196 1.00 0.00 H new ATOM 0 HA VAL A 2 0.160 12.407 0.997 1.00 0.00 H new ATOM 0 HB VAL A 2 0.766 14.683 -0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 2 2.706 15.877 0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.343 15.819 2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.729 14.724 2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.076 14.006 -0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.093 12.843 0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 2 1.973 12.610 -0.663 1.00 0.00 H new ATOM 35 N ILE A 3 1.863 11.485 2.543 1.00 0.00 N ATOM 36 CA ILE A 3 2.656 10.828 3.613 1.00 0.00 C ATOM 37 C ILE A 3 4.021 10.363 3.071 1.00 0.00 C ATOM 38 O ILE A 3 4.309 9.183 3.063 1.00 0.00 O ATOM 39 CB ILE A 3 1.794 9.631 4.011 1.00 0.00 C ATOM 40 CG1 ILE A 3 2.560 8.801 5.073 1.00 0.00 C ATOM 41 CG2 ILE A 3 1.448 8.808 2.750 1.00 0.00 C ATOM 42 CD1 ILE A 3 2.560 7.300 4.746 1.00 0.00 C ATOM 0 H ILE A 3 1.761 10.937 1.689 1.00 0.00 H new ATOM 0 HA ILE A 3 2.875 11.491 4.450 1.00 0.00 H new ATOM 0 HB ILE A 3 0.851 9.953 4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 3 3.588 9.157 5.138 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.106 8.958 6.051 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.833 7.953 3.031 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.900 9.434 2.046 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.367 8.455 2.282 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.108 6.760 5.518 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.533 6.936 4.708 1.00 0.00 H new ATOM 0 HD13 ILE A 3 3.039 7.138 3.780 1.00 0.00 H new ATOM 54 N PRO A 4 4.820 11.309 2.634 1.00 0.00 N ATOM 55 CA PRO A 4 6.162 10.983 2.090 1.00 0.00 C ATOM 56 C PRO A 4 7.170 10.797 3.229 1.00 0.00 C ATOM 57 O PRO A 4 8.196 10.165 3.068 1.00 0.00 O ATOM 58 CB PRO A 4 6.520 12.213 1.265 1.00 0.00 C ATOM 59 CG PRO A 4 5.741 13.341 1.872 1.00 0.00 C ATOM 60 CD PRO A 4 4.555 12.752 2.599 1.00 0.00 C ATOM 0 HA PRO A 4 6.174 10.060 1.511 1.00 0.00 H new ATOM 0 HB2 PRO A 4 7.591 12.412 1.301 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.256 12.073 0.217 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.367 13.909 2.561 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.408 14.034 1.099 1.00 0.00 H new ATOM 0 HD2 PRO A 4 4.463 13.162 3.605 1.00 0.00 H new ATOM 0 HD3 PRO A 4 3.623 12.971 2.079 1.00 0.00 H new ATOM 68 N SER A 5 6.886 11.354 4.378 1.00 0.00 N ATOM 69 CA SER A 5 7.821 11.229 5.538 1.00 0.00 C ATOM 70 C SER A 5 8.319 9.782 5.699 1.00 0.00 C ATOM 71 O SER A 5 9.509 9.546 5.767 1.00 0.00 O ATOM 72 CB SER A 5 6.996 11.671 6.750 1.00 0.00 C ATOM 73 OG SER A 5 7.366 10.904 7.890 1.00 0.00 O ATOM 0 H SER A 5 6.041 11.894 4.564 1.00 0.00 H new ATOM 0 HA SER A 5 8.718 11.835 5.410 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.158 12.731 6.945 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.933 11.544 6.544 1.00 0.00 H new ATOM 0 HG SER A 5 6.837 11.191 8.663 1.00 0.00 H new ATOM 79 N PRO A 6 7.394 8.858 5.759 1.00 0.00 N ATOM 80 CA PRO A 6 7.761 7.432 5.919 1.00 0.00 C ATOM 81 C PRO A 6 8.303 6.862 4.605 1.00 0.00 C ATOM 82 O PRO A 6 8.146 7.445 3.552 1.00 0.00 O ATOM 83 CB PRO A 6 6.450 6.761 6.310 1.00 0.00 C ATOM 84 CG PRO A 6 5.381 7.649 5.767 1.00 0.00 C ATOM 85 CD PRO A 6 5.943 9.047 5.687 1.00 0.00 C ATOM 0 HA PRO A 6 8.547 7.276 6.658 1.00 0.00 H new ATOM 0 HB2 PRO A 6 6.380 5.758 5.890 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.366 6.660 7.392 1.00 0.00 H new ATOM 0 HG2 PRO A 6 5.064 7.307 4.782 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.502 7.627 6.411 1.00 0.00 H new ATOM 0 HD2 PRO A 6 5.652 9.540 4.760 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.582 9.669 6.506 1.00 0.00 H new ATOM 93 N CYS A 7 8.940 5.724 4.659 1.00 0.00 N ATOM 94 CA CYS A 7 9.495 5.114 3.414 1.00 0.00 C ATOM 95 C CYS A 7 9.966 3.685 3.693 1.00 0.00 C ATOM 96 O CYS A 7 10.180 3.302 4.826 1.00 0.00 O ATOM 97 CB CYS A 7 10.680 6.004 3.032 1.00 0.00 C ATOM 98 SG CYS A 7 11.436 5.385 1.508 1.00 0.00 S ATOM 0 H CYS A 7 9.101 5.189 5.512 1.00 0.00 H new ATOM 0 HA CYS A 7 8.755 5.055 2.616 1.00 0.00 H new ATOM 0 HB2 CYS A 7 10.346 7.032 2.893 1.00 0.00 H new ATOM 0 HB3 CYS A 7 11.415 6.014 3.837 1.00 0.00 H new ATOM 103 N CYS A 8 10.130 2.892 2.669 1.00 0.00 N ATOM 104 CA CYS A 8 10.588 1.488 2.880 1.00 0.00 C ATOM 105 C CYS A 8 12.036 1.327 2.402 1.00 0.00 C ATOM 106 O CYS A 8 12.679 2.280 2.010 1.00 0.00 O ATOM 107 CB CYS A 8 9.639 0.631 2.035 1.00 0.00 C ATOM 108 SG CYS A 8 9.811 1.064 0.285 1.00 0.00 S ATOM 0 H CYS A 8 9.967 3.155 1.697 1.00 0.00 H new ATOM 0 HA CYS A 8 10.569 1.198 3.931 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.862 -0.426 2.181 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.610 0.787 2.358 1.00 0.00 H new ATOM 113 N MET A 9 12.551 0.129 2.430 1.00 0.00 N ATOM 114 CA MET A 9 13.955 -0.089 1.974 1.00 0.00 C ATOM 115 C MET A 9 13.996 -1.190 0.909 1.00 0.00 C ATOM 116 O MET A 9 14.757 -1.124 -0.036 1.00 0.00 O ATOM 117 CB MET A 9 14.729 -0.512 3.224 1.00 0.00 C ATOM 118 CG MET A 9 14.076 -1.750 3.843 1.00 0.00 C ATOM 119 SD MET A 9 14.994 -2.236 5.327 1.00 0.00 S ATOM 120 CE MET A 9 14.245 -3.870 5.538 1.00 0.00 C ATOM 0 H MET A 9 12.062 -0.708 2.748 1.00 0.00 H new ATOM 0 HA MET A 9 14.385 0.805 1.523 1.00 0.00 H new ATOM 0 HB2 MET A 9 15.766 -0.727 2.966 1.00 0.00 H new ATOM 0 HB3 MET A 9 14.743 0.303 3.947 1.00 0.00 H new ATOM 0 HG2 MET A 9 13.038 -1.538 4.098 1.00 0.00 H new ATOM 0 HG3 MET A 9 14.067 -2.568 3.123 1.00 0.00 H new ATOM 0 HE1 MET A 9 14.674 -4.357 6.414 1.00 0.00 H new ATOM 0 HE2 MET A 9 13.169 -3.762 5.674 1.00 0.00 H new ATOM 0 HE3 MET A 9 14.440 -4.477 4.654 1.00 0.00 H new ATOM 130 N PHE A 10 13.181 -2.201 1.049 1.00 0.00 N ATOM 131 CA PHE A 10 13.173 -3.295 0.036 1.00 0.00 C ATOM 132 C PHE A 10 11.821 -3.327 -0.689 1.00 0.00 C ATOM 133 O PHE A 10 10.870 -2.700 -0.266 1.00 0.00 O ATOM 134 CB PHE A 10 13.411 -4.588 0.835 1.00 0.00 C ATOM 135 CG PHE A 10 12.164 -4.977 1.602 1.00 0.00 C ATOM 136 CD1 PHE A 10 11.195 -5.784 0.995 1.00 0.00 C ATOM 137 CD2 PHE A 10 11.981 -4.532 2.916 1.00 0.00 C ATOM 138 CE1 PHE A 10 10.042 -6.145 1.702 1.00 0.00 C ATOM 139 CE2 PHE A 10 10.829 -4.893 3.623 1.00 0.00 C ATOM 140 CZ PHE A 10 9.858 -5.699 3.016 1.00 0.00 C ATOM 0 H PHE A 10 12.522 -2.316 1.819 1.00 0.00 H new ATOM 0 HA PHE A 10 13.935 -3.160 -0.732 1.00 0.00 H new ATOM 0 HB2 PHE A 10 13.694 -5.394 0.158 1.00 0.00 H new ATOM 0 HB3 PHE A 10 14.241 -4.447 1.527 1.00 0.00 H new ATOM 0 HD1 PHE A 10 11.337 -6.128 -0.019 1.00 0.00 H new ATOM 0 HD2 PHE A 10 12.729 -3.910 3.384 1.00 0.00 H new ATOM 0 HE1 PHE A 10 9.294 -6.768 1.234 1.00 0.00 H new ATOM 0 HE2 PHE A 10 10.689 -4.550 4.637 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.968 -5.976 3.561 1.00 0.00 H new ATOM 150 N PHE A 11 11.722 -4.053 -1.767 1.00 0.00 N ATOM 151 CA PHE A 11 10.421 -4.115 -2.491 1.00 0.00 C ATOM 152 C PHE A 11 9.797 -5.502 -2.336 1.00 0.00 C ATOM 153 O PHE A 11 10.473 -6.510 -2.373 1.00 0.00 O ATOM 154 CB PHE A 11 10.747 -3.837 -3.961 1.00 0.00 C ATOM 155 CG PHE A 11 10.129 -2.523 -4.371 1.00 0.00 C ATOM 156 CD1 PHE A 11 8.803 -2.235 -4.026 1.00 0.00 C ATOM 157 CD2 PHE A 11 10.880 -1.593 -5.097 1.00 0.00 C ATOM 158 CE1 PHE A 11 8.230 -1.017 -4.402 1.00 0.00 C ATOM 159 CE2 PHE A 11 10.306 -0.374 -5.476 1.00 0.00 C ATOM 160 CZ PHE A 11 8.980 -0.086 -5.129 1.00 0.00 C ATOM 0 H PHE A 11 12.478 -4.602 -2.176 1.00 0.00 H new ATOM 0 HA PHE A 11 9.706 -3.393 -2.097 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.827 -3.805 -4.106 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.365 -4.643 -4.588 1.00 0.00 H new ATOM 0 HD1 PHE A 11 8.222 -2.955 -3.469 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.902 -1.815 -5.365 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.208 -0.794 -4.131 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.886 0.345 -6.036 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.537 0.854 -5.422 1.00 0.00 H new ATOM 170 N VAL A 12 8.507 -5.553 -2.163 1.00 0.00 N ATOM 171 CA VAL A 12 7.819 -6.867 -2.005 1.00 0.00 C ATOM 172 C VAL A 12 8.219 -7.825 -3.128 1.00 0.00 C ATOM 173 O VAL A 12 8.281 -7.450 -4.284 1.00 0.00 O ATOM 174 CB VAL A 12 6.323 -6.549 -2.101 1.00 0.00 C ATOM 175 CG1 VAL A 12 5.882 -5.781 -0.855 1.00 0.00 C ATOM 176 CG2 VAL A 12 6.051 -5.697 -3.349 1.00 0.00 C ATOM 0 H VAL A 12 7.895 -4.738 -2.124 1.00 0.00 H new ATOM 0 HA VAL A 12 8.083 -7.349 -1.064 1.00 0.00 H new ATOM 0 HB VAL A 12 5.763 -7.481 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.818 -5.555 -0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.067 -6.388 0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.446 -4.851 -0.782 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.986 -5.474 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.614 -4.766 -3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.360 -6.246 -4.239 1.00 0.00 H new ATOM 186 N SER A 13 8.472 -9.063 -2.808 1.00 0.00 N ATOM 187 CA SER A 13 8.844 -10.040 -3.869 1.00 0.00 C ATOM 188 C SER A 13 7.704 -10.138 -4.883 1.00 0.00 C ATOM 189 O SER A 13 7.904 -10.488 -6.030 1.00 0.00 O ATOM 190 CB SER A 13 9.028 -11.370 -3.144 1.00 0.00 C ATOM 191 OG SER A 13 7.869 -11.647 -2.368 1.00 0.00 O ATOM 0 H SER A 13 8.438 -9.440 -1.861 1.00 0.00 H new ATOM 0 HA SER A 13 9.746 -9.752 -4.409 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.197 -12.170 -3.865 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.908 -11.329 -2.502 1.00 0.00 H new ATOM 0 HG SER A 13 7.984 -12.502 -1.902 1.00 0.00 H new ATOM 197 N LYS A 14 6.506 -9.823 -4.467 1.00 0.00 N ATOM 198 CA LYS A 14 5.346 -9.886 -5.398 1.00 0.00 C ATOM 199 C LYS A 14 4.199 -9.018 -4.877 1.00 0.00 C ATOM 200 O LYS A 14 4.388 -8.156 -4.041 1.00 0.00 O ATOM 201 CB LYS A 14 4.941 -11.364 -5.430 1.00 0.00 C ATOM 202 CG LYS A 14 4.420 -11.792 -4.055 1.00 0.00 C ATOM 203 CD LYS A 14 4.763 -13.263 -3.813 1.00 0.00 C ATOM 204 CE LYS A 14 4.207 -13.702 -2.457 1.00 0.00 C ATOM 205 NZ LYS A 14 4.819 -15.036 -2.204 1.00 0.00 N ATOM 0 H LYS A 14 6.282 -9.524 -3.518 1.00 0.00 H new ATOM 0 HA LYS A 14 5.593 -9.513 -6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.172 -11.523 -6.186 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.796 -11.978 -5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.865 -11.171 -3.277 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.341 -11.646 -4.002 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.343 -13.880 -4.607 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.844 -13.404 -3.837 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.471 -12.992 -1.673 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.119 -13.764 -2.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.485 -15.403 -1.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.545 -15.693 -2.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.855 -14.944 -2.183 1.00 0.00 H new ATOM 219 N ARG A 15 3.008 -9.239 -5.363 1.00 0.00 N ATOM 220 CA ARG A 15 1.850 -8.426 -4.895 1.00 0.00 C ATOM 221 C ARG A 15 1.362 -8.934 -3.534 1.00 0.00 C ATOM 222 O ARG A 15 2.106 -9.532 -2.783 1.00 0.00 O ATOM 223 CB ARG A 15 0.779 -8.617 -5.969 1.00 0.00 C ATOM 224 CG ARG A 15 0.414 -10.097 -6.063 1.00 0.00 C ATOM 225 CD ARG A 15 -0.987 -10.314 -5.493 1.00 0.00 C ATOM 226 NE ARG A 15 -1.765 -10.922 -6.607 1.00 0.00 N ATOM 227 CZ ARG A 15 -3.060 -10.765 -6.662 1.00 0.00 C ATOM 228 NH1 ARG A 15 -3.834 -11.449 -5.864 1.00 0.00 N ATOM 229 NH2 ARG A 15 -3.580 -9.925 -7.514 1.00 0.00 N ATOM 0 H ARG A 15 2.787 -9.947 -6.063 1.00 0.00 H new ATOM 0 HA ARG A 15 2.104 -7.375 -4.760 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.105 -8.028 -5.726 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.145 -8.259 -6.931 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.451 -10.426 -7.101 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.139 -10.697 -5.513 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.962 -10.971 -4.624 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.431 -9.373 -5.168 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.286 -11.462 -7.328 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.427 -12.106 -5.198 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.846 -11.327 -5.906 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.975 -9.391 -8.137 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.592 -9.803 -7.557 1.00 0.00 H new ATOM 243 N ILE A 16 0.122 -8.691 -3.206 1.00 0.00 N ATOM 244 CA ILE A 16 -0.405 -9.154 -1.882 1.00 0.00 C ATOM 245 C ILE A 16 -1.871 -9.581 -2.040 1.00 0.00 C ATOM 246 O ILE A 16 -2.498 -9.250 -3.022 1.00 0.00 O ATOM 247 CB ILE A 16 -0.311 -7.946 -0.916 1.00 0.00 C ATOM 248 CG1 ILE A 16 0.752 -6.930 -1.384 1.00 0.00 C ATOM 249 CG2 ILE A 16 0.060 -8.449 0.481 1.00 0.00 C ATOM 250 CD1 ILE A 16 0.894 -5.801 -0.354 1.00 0.00 C ATOM 0 H ILE A 16 -0.549 -8.195 -3.792 1.00 0.00 H new ATOM 0 HA ILE A 16 0.163 -10.003 -1.502 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.279 -7.446 -0.901 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.710 -7.431 -1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.469 -6.516 -2.352 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.128 -7.604 1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.705 -9.141 0.833 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.021 -8.961 0.440 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.647 -5.090 -0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.062 -5.290 -0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.198 -6.220 0.605 1.00 0.00 H new ATOM 262 N PRO A 17 -2.378 -10.293 -1.063 1.00 0.00 N ATOM 263 CA PRO A 17 -3.780 -10.738 -1.096 1.00 0.00 C ATOM 264 C PRO A 17 -4.671 -9.692 -0.413 1.00 0.00 C ATOM 265 O PRO A 17 -4.551 -9.442 0.769 1.00 0.00 O ATOM 266 CB PRO A 17 -3.749 -12.039 -0.307 1.00 0.00 C ATOM 267 CG PRO A 17 -2.553 -11.942 0.593 1.00 0.00 C ATOM 268 CD PRO A 17 -1.713 -10.766 0.149 1.00 0.00 C ATOM 0 HA PRO A 17 -4.180 -10.870 -2.101 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.664 -12.168 0.271 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.669 -12.898 -0.973 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.868 -11.813 1.629 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.970 -12.862 0.549 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.678 -9.990 0.913 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.684 -11.064 -0.051 1.00 0.00 H new ATOM 276 N GLU A 18 -5.550 -9.071 -1.153 1.00 0.00 N ATOM 277 CA GLU A 18 -6.443 -8.025 -0.563 1.00 0.00 C ATOM 278 C GLU A 18 -7.039 -8.487 0.773 1.00 0.00 C ATOM 279 O GLU A 18 -7.229 -7.703 1.680 1.00 0.00 O ATOM 280 CB GLU A 18 -7.551 -7.827 -1.597 1.00 0.00 C ATOM 281 CG GLU A 18 -7.968 -6.355 -1.626 1.00 0.00 C ATOM 282 CD GLU A 18 -8.274 -5.940 -3.068 1.00 0.00 C ATOM 283 OE1 GLU A 18 -7.335 -5.674 -3.798 1.00 0.00 O ATOM 284 OE2 GLU A 18 -9.443 -5.895 -3.413 1.00 0.00 O ATOM 0 H GLU A 18 -5.691 -9.243 -2.149 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.897 -7.105 -0.352 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.202 -8.136 -2.582 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.408 -8.454 -1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.846 -6.202 -0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.172 -5.732 -1.218 1.00 0.00 H new ATOM 291 N ASN A 19 -7.339 -9.749 0.900 1.00 0.00 N ATOM 292 CA ASN A 19 -7.928 -10.249 2.177 1.00 0.00 C ATOM 293 C ASN A 19 -6.949 -10.046 3.340 1.00 0.00 C ATOM 294 O ASN A 19 -7.317 -10.145 4.494 1.00 0.00 O ATOM 295 CB ASN A 19 -8.175 -11.740 1.942 1.00 0.00 C ATOM 296 CG ASN A 19 -9.196 -11.921 0.818 1.00 0.00 C ATOM 297 OD1 ASN A 19 -8.877 -12.447 -0.229 1.00 0.00 O ATOM 298 ND2 ASN A 19 -10.421 -11.504 0.990 1.00 0.00 N ATOM 0 H ASN A 19 -7.203 -10.456 0.178 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.842 -9.717 2.440 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -7.241 -12.237 1.681 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.540 -12.207 2.857 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.109 -11.620 0.246 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.691 -11.062 1.869 1.00 0.00 H new ATOM 305 N ARG A 20 -5.705 -9.776 3.049 1.00 0.00 N ATOM 306 CA ARG A 20 -4.711 -9.583 4.140 1.00 0.00 C ATOM 307 C ARG A 20 -4.298 -8.112 4.246 1.00 0.00 C ATOM 308 O ARG A 20 -4.045 -7.605 5.320 1.00 0.00 O ATOM 309 CB ARG A 20 -3.525 -10.442 3.718 1.00 0.00 C ATOM 310 CG ARG A 20 -3.900 -11.917 3.848 1.00 0.00 C ATOM 311 CD ARG A 20 -2.677 -12.720 4.300 1.00 0.00 C ATOM 312 NE ARG A 20 -3.237 -13.974 4.878 1.00 0.00 N ATOM 313 CZ ARG A 20 -2.556 -15.084 4.809 1.00 0.00 C ATOM 314 NH1 ARG A 20 -1.252 -15.050 4.801 1.00 0.00 N ATOM 315 NH2 ARG A 20 -3.181 -16.228 4.752 1.00 0.00 N ATOM 0 H ARG A 20 -5.336 -9.681 2.103 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.106 -9.861 5.117 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.245 -10.215 2.689 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.659 -10.219 4.341 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.711 -12.035 4.567 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.264 -12.296 2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.012 -12.933 3.463 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.094 -12.170 5.039 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.153 -13.964 5.327 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.765 -14.155 4.849 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.720 -15.918 4.747 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.201 -16.253 4.761 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.650 -17.097 4.698 1.00 0.00 H new ATOM 329 N VAL A 21 -4.220 -7.427 3.141 1.00 0.00 N ATOM 330 CA VAL A 21 -3.811 -5.990 3.183 1.00 0.00 C ATOM 331 C VAL A 21 -4.910 -5.139 3.821 1.00 0.00 C ATOM 332 O VAL A 21 -6.078 -5.467 3.756 1.00 0.00 O ATOM 333 CB VAL A 21 -3.614 -5.580 1.724 1.00 0.00 C ATOM 334 CG1 VAL A 21 -3.032 -4.167 1.675 1.00 0.00 C ATOM 335 CG2 VAL A 21 -2.654 -6.558 1.041 1.00 0.00 C ATOM 0 H VAL A 21 -4.420 -7.795 2.211 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.907 -5.847 3.775 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.572 -5.599 1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.889 -3.868 0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.719 -3.474 2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.073 -4.150 2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.515 -6.264 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.693 -6.542 1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.070 -7.564 1.081 1.00 0.00 H new ATOM 345 N VAL A 22 -4.548 -4.043 4.436 1.00 0.00 N ATOM 346 CA VAL A 22 -5.576 -3.178 5.069 1.00 0.00 C ATOM 347 C VAL A 22 -5.481 -1.747 4.543 1.00 0.00 C ATOM 348 O VAL A 22 -6.477 -1.076 4.363 1.00 0.00 O ATOM 349 CB VAL A 22 -5.265 -3.199 6.565 1.00 0.00 C ATOM 350 CG1 VAL A 22 -5.628 -4.560 7.143 1.00 0.00 C ATOM 351 CG2 VAL A 22 -3.778 -2.925 6.816 1.00 0.00 C ATOM 0 H VAL A 22 -3.587 -3.714 4.525 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.582 -3.536 4.850 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.852 -2.419 7.049 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.406 -4.573 8.210 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.691 -4.748 6.992 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.048 -5.335 6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.580 -2.945 7.888 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.179 -3.690 6.322 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.516 -1.945 6.417 1.00 0.00 H new ATOM 361 N SER A 23 -4.293 -1.268 4.314 1.00 0.00 N ATOM 362 CA SER A 23 -4.140 0.130 3.823 1.00 0.00 C ATOM 363 C SER A 23 -2.673 0.417 3.506 1.00 0.00 C ATOM 364 O SER A 23 -1.780 -0.151 4.105 1.00 0.00 O ATOM 365 CB SER A 23 -4.615 0.988 4.990 1.00 0.00 C ATOM 366 OG SER A 23 -4.395 2.361 4.693 1.00 0.00 O ATOM 0 H SER A 23 -3.422 -1.782 4.445 1.00 0.00 H new ATOM 0 HA SER A 23 -4.702 0.323 2.909 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.674 0.811 5.177 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.080 0.712 5.899 1.00 0.00 H new ATOM 0 HG SER A 23 -4.702 2.911 5.443 1.00 0.00 H new ATOM 372 N TYR A 24 -2.409 1.272 2.555 1.00 0.00 N ATOM 373 CA TYR A 24 -0.999 1.559 2.199 1.00 0.00 C ATOM 374 C TYR A 24 -0.520 2.902 2.766 1.00 0.00 C ATOM 375 O TYR A 24 -1.264 3.658 3.359 1.00 0.00 O ATOM 376 CB TYR A 24 -0.996 1.591 0.667 1.00 0.00 C ATOM 377 CG TYR A 24 -1.669 2.853 0.163 1.00 0.00 C ATOM 378 CD1 TYR A 24 -0.927 4.034 0.019 1.00 0.00 C ATOM 379 CD2 TYR A 24 -3.031 2.842 -0.155 1.00 0.00 C ATOM 380 CE1 TYR A 24 -1.549 5.201 -0.443 1.00 0.00 C ATOM 381 CE2 TYR A 24 -3.654 4.009 -0.616 1.00 0.00 C ATOM 382 CZ TYR A 24 -2.913 5.188 -0.760 1.00 0.00 C ATOM 383 OH TYR A 24 -3.527 6.337 -1.212 1.00 0.00 O ATOM 0 H TYR A 24 -3.109 1.780 2.014 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.322 0.812 2.614 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.029 1.546 0.298 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.514 0.715 0.278 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.125 4.044 0.264 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.603 1.933 -0.045 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -0.977 6.110 -0.555 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.706 3.999 -0.860 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.401 6.112 -1.594 1.00 0.00 H new ATOM 393 N GLN A 25 0.730 3.196 2.544 1.00 0.00 N ATOM 394 CA GLN A 25 1.329 4.475 3.004 1.00 0.00 C ATOM 395 C GLN A 25 2.258 4.965 1.895 1.00 0.00 C ATOM 396 O GLN A 25 3.396 4.555 1.799 1.00 0.00 O ATOM 397 CB GLN A 25 2.122 4.128 4.265 1.00 0.00 C ATOM 398 CG GLN A 25 1.252 4.372 5.498 1.00 0.00 C ATOM 399 CD GLN A 25 0.474 3.100 5.834 1.00 0.00 C ATOM 400 OE1 GLN A 25 0.669 2.074 5.211 1.00 0.00 O ATOM 401 NE2 GLN A 25 -0.404 3.122 6.799 1.00 0.00 N ATOM 0 H GLN A 25 1.378 2.584 2.048 1.00 0.00 H new ATOM 0 HA GLN A 25 0.596 5.253 3.218 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.440 3.086 4.232 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.025 4.736 4.318 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.875 4.664 6.344 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.562 5.195 5.312 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.567 3.983 7.321 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.928 2.278 7.031 1.00 0.00 H new ATOM 410 N LEU A 26 1.766 5.794 1.022 1.00 0.00 N ATOM 411 CA LEU A 26 2.610 6.260 -0.113 1.00 0.00 C ATOM 412 C LEU A 26 3.914 6.895 0.369 1.00 0.00 C ATOM 413 O LEU A 26 4.023 7.367 1.483 1.00 0.00 O ATOM 414 CB LEU A 26 1.751 7.275 -0.863 1.00 0.00 C ATOM 415 CG LEU A 26 1.141 6.604 -2.095 1.00 0.00 C ATOM 416 CD1 LEU A 26 0.243 7.603 -2.829 1.00 0.00 C ATOM 417 CD2 LEU A 26 2.261 6.140 -3.032 1.00 0.00 C ATOM 0 H LEU A 26 0.818 6.170 1.043 1.00 0.00 H new ATOM 0 HA LEU A 26 2.910 5.427 -0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.963 7.654 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.356 8.131 -1.162 1.00 0.00 H new ATOM 0 HG LEU A 26 0.548 5.744 -1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.192 7.125 -3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.555 7.933 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.835 8.464 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.826 5.662 -3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.854 7.000 -3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.900 5.428 -2.510 1.00 0.00 H new ATOM 429 N SER A 27 4.906 6.901 -0.480 1.00 0.00 N ATOM 430 CA SER A 27 6.222 7.494 -0.112 1.00 0.00 C ATOM 431 C SER A 27 7.034 7.785 -1.378 1.00 0.00 C ATOM 432 O SER A 27 7.874 7.003 -1.779 1.00 0.00 O ATOM 433 CB SER A 27 6.914 6.424 0.731 1.00 0.00 C ATOM 434 OG SER A 27 8.166 6.924 1.187 1.00 0.00 O ATOM 0 H SER A 27 4.859 6.516 -1.423 1.00 0.00 H new ATOM 0 HA SER A 27 6.119 8.435 0.428 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.287 6.151 1.580 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.063 5.520 0.141 1.00 0.00 H new ATOM 0 HG SER A 27 8.025 7.490 1.974 1.00 0.00 H new ATOM 440 N SER A 28 6.789 8.898 -2.013 1.00 0.00 N ATOM 441 CA SER A 28 7.546 9.229 -3.256 1.00 0.00 C ATOM 442 C SER A 28 9.043 9.327 -2.954 1.00 0.00 C ATOM 443 O SER A 28 9.516 8.856 -1.940 1.00 0.00 O ATOM 444 CB SER A 28 7.001 10.583 -3.706 1.00 0.00 C ATOM 445 OG SER A 28 7.294 10.775 -5.083 1.00 0.00 O ATOM 0 H SER A 28 6.099 9.592 -1.727 1.00 0.00 H new ATOM 0 HA SER A 28 7.426 8.466 -4.026 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.924 10.627 -3.542 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.446 11.382 -3.113 1.00 0.00 H new ATOM 0 HG SER A 28 6.944 11.643 -5.374 1.00 0.00 H new ATOM 451 N ARG A 29 9.793 9.938 -3.830 1.00 0.00 N ATOM 452 CA ARG A 29 11.260 10.068 -3.598 1.00 0.00 C ATOM 453 C ARG A 29 11.525 10.774 -2.265 1.00 0.00 C ATOM 454 O ARG A 29 11.613 11.983 -2.199 1.00 0.00 O ATOM 455 CB ARG A 29 11.772 10.917 -4.763 1.00 0.00 C ATOM 456 CG ARG A 29 12.989 10.240 -5.393 1.00 0.00 C ATOM 457 CD ARG A 29 14.153 11.233 -5.455 1.00 0.00 C ATOM 458 NE ARG A 29 14.744 11.043 -6.808 1.00 0.00 N ATOM 459 CZ ARG A 29 15.540 11.951 -7.304 1.00 0.00 C ATOM 460 NH1 ARG A 29 15.044 13.036 -7.832 1.00 0.00 N ATOM 461 NH2 ARG A 29 16.832 11.773 -7.272 1.00 0.00 N ATOM 0 H ARG A 29 9.453 10.353 -4.697 1.00 0.00 H new ATOM 0 HA ARG A 29 11.757 9.099 -3.549 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.986 11.042 -5.508 1.00 0.00 H new ATOM 0 HB3 ARG A 29 12.039 11.913 -4.411 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.274 9.365 -4.809 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.744 9.888 -6.395 1.00 0.00 H new ATOM 0 HD2 ARG A 29 13.807 12.257 -5.315 1.00 0.00 H new ATOM 0 HD3 ARG A 29 14.885 11.034 -4.672 1.00 0.00 H new ATOM 0 HE ARG A 29 14.527 10.204 -7.347 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.034 13.175 -7.857 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.666 13.745 -8.219 1.00 0.00 H new ATOM 0 HH21 ARG A 29 17.220 10.925 -6.860 1.00 0.00 H new ATOM 0 HH22 ARG A 29 17.454 12.482 -7.659 1.00 0.00 H new ATOM 475 N SER A 30 11.650 10.026 -1.202 1.00 0.00 N ATOM 476 CA SER A 30 11.908 10.655 0.123 1.00 0.00 C ATOM 477 C SER A 30 13.193 10.091 0.737 1.00 0.00 C ATOM 478 O SER A 30 13.173 9.071 1.396 1.00 0.00 O ATOM 479 CB SER A 30 10.697 10.286 0.977 1.00 0.00 C ATOM 480 OG SER A 30 10.278 8.966 0.651 1.00 0.00 O ATOM 0 H SER A 30 11.585 9.008 -1.195 1.00 0.00 H new ATOM 0 HA SER A 30 12.041 11.734 0.049 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.951 10.349 2.035 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.885 10.992 0.802 1.00 0.00 H new ATOM 0 HG SER A 30 9.898 8.957 -0.252 1.00 0.00 H new ATOM 486 N THR A 31 14.304 10.757 0.514 1.00 0.00 N ATOM 487 CA THR A 31 15.624 10.298 1.066 1.00 0.00 C ATOM 488 C THR A 31 15.750 8.768 1.030 1.00 0.00 C ATOM 489 O THR A 31 16.298 8.159 1.928 1.00 0.00 O ATOM 490 CB THR A 31 15.667 10.819 2.507 1.00 0.00 C ATOM 491 OG1 THR A 31 16.956 10.577 3.055 1.00 0.00 O ATOM 492 CG2 THR A 31 14.612 10.112 3.360 1.00 0.00 C ATOM 0 H THR A 31 14.353 11.614 -0.037 1.00 0.00 H new ATOM 0 HA THR A 31 16.455 10.678 0.472 1.00 0.00 H new ATOM 0 HB THR A 31 15.459 11.889 2.504 1.00 0.00 H new ATOM 0 HG1 THR A 31 17.212 9.646 2.890 1.00 0.00 H new ATOM 0 HG21 THR A 31 14.655 10.492 4.381 1.00 0.00 H new ATOM 0 HG22 THR A 31 13.622 10.300 2.944 1.00 0.00 H new ATOM 0 HG23 THR A 31 14.806 9.039 3.364 1.00 0.00 H new ATOM 500 N CYS A 32 15.252 8.147 -0.004 1.00 0.00 N ATOM 501 CA CYS A 32 15.346 6.664 -0.099 1.00 0.00 C ATOM 502 C CYS A 32 16.029 6.262 -1.410 1.00 0.00 C ATOM 503 O CYS A 32 16.322 7.093 -2.247 1.00 0.00 O ATOM 504 CB CYS A 32 13.900 6.169 -0.071 1.00 0.00 C ATOM 505 SG CYS A 32 13.371 5.951 1.646 1.00 0.00 S ATOM 0 H CYS A 32 14.784 8.603 -0.787 1.00 0.00 H new ATOM 0 HA CYS A 32 15.936 6.235 0.711 1.00 0.00 H new ATOM 0 HB2 CYS A 32 13.250 6.884 -0.575 1.00 0.00 H new ATOM 0 HB3 CYS A 32 13.817 5.226 -0.611 1.00 0.00 H new ATOM 510 N LEU A 33 16.292 4.998 -1.591 1.00 0.00 N ATOM 511 CA LEU A 33 16.962 4.546 -2.844 1.00 0.00 C ATOM 512 C LEU A 33 15.964 4.521 -4.007 1.00 0.00 C ATOM 513 O LEU A 33 16.313 4.785 -5.140 1.00 0.00 O ATOM 514 CB LEU A 33 17.469 3.135 -2.539 1.00 0.00 C ATOM 515 CG LEU A 33 18.910 3.209 -2.031 1.00 0.00 C ATOM 516 CD1 LEU A 33 18.961 2.738 -0.577 1.00 0.00 C ATOM 517 CD2 LEU A 33 19.800 2.307 -2.890 1.00 0.00 C ATOM 0 H LEU A 33 16.072 4.257 -0.925 1.00 0.00 H new ATOM 0 HA LEU A 33 17.771 5.214 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.832 2.662 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.420 2.518 -3.436 1.00 0.00 H new ATOM 0 HG LEU A 33 19.266 4.237 -2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 33 19.987 2.790 -0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.326 3.378 0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 33 18.606 1.709 -0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 33 20.827 2.359 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 33 19.445 1.278 -2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 33 19.763 2.640 -3.927 1.00 0.00 H new ATOM 529 N LYS A 34 14.729 4.204 -3.737 1.00 0.00 N ATOM 530 CA LYS A 34 13.716 4.163 -4.831 1.00 0.00 C ATOM 531 C LYS A 34 12.433 4.877 -4.394 1.00 0.00 C ATOM 532 O LYS A 34 12.413 5.596 -3.415 1.00 0.00 O ATOM 533 CB LYS A 34 13.446 2.675 -5.069 1.00 0.00 C ATOM 534 CG LYS A 34 13.990 2.264 -6.439 1.00 0.00 C ATOM 535 CD LYS A 34 15.115 1.243 -6.255 1.00 0.00 C ATOM 536 CE LYS A 34 14.530 -0.069 -5.725 1.00 0.00 C ATOM 537 NZ LYS A 34 15.614 -0.669 -4.899 1.00 0.00 N ATOM 0 H LYS A 34 14.376 3.972 -2.809 1.00 0.00 H new ATOM 0 HA LYS A 34 14.066 4.663 -5.734 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.918 2.080 -4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.375 2.477 -5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.192 1.836 -7.046 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.362 3.139 -6.972 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.623 1.070 -7.204 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.861 1.629 -5.560 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.634 0.110 -5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.243 -0.732 -6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.287 -1.573 -4.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.452 -0.835 -5.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.861 -0.019 -4.125 1.00 0.00 H new ATOM 551 N ALA A 35 11.360 4.682 -5.113 1.00 0.00 N ATOM 552 CA ALA A 35 10.079 5.347 -4.739 1.00 0.00 C ATOM 553 C ALA A 35 8.894 4.430 -5.048 1.00 0.00 C ATOM 554 O ALA A 35 8.703 4.002 -6.169 1.00 0.00 O ATOM 555 CB ALA A 35 10.018 6.605 -5.604 1.00 0.00 C ATOM 0 H ALA A 35 11.316 4.091 -5.943 1.00 0.00 H new ATOM 0 HA ALA A 35 10.032 5.579 -3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.100 7.152 -5.387 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.878 7.238 -5.386 1.00 0.00 H new ATOM 0 HB3 ALA A 35 10.032 6.324 -6.657 1.00 0.00 H new ATOM 561 N GLY A 36 8.094 4.130 -4.062 1.00 0.00 N ATOM 562 CA GLY A 36 6.918 3.246 -4.298 1.00 0.00 C ATOM 563 C GLY A 36 5.917 3.448 -3.162 1.00 0.00 C ATOM 564 O GLY A 36 5.997 4.410 -2.424 1.00 0.00 O ATOM 0 H GLY A 36 8.204 4.459 -3.103 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.455 3.481 -5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.232 2.203 -4.344 1.00 0.00 H new ATOM 568 N VAL A 37 4.976 2.554 -3.001 1.00 0.00 N ATOM 569 CA VAL A 37 3.996 2.726 -1.894 1.00 0.00 C ATOM 570 C VAL A 37 4.304 1.728 -0.782 1.00 0.00 C ATOM 571 O VAL A 37 5.088 0.819 -0.954 1.00 0.00 O ATOM 572 CB VAL A 37 2.625 2.437 -2.500 1.00 0.00 C ATOM 573 CG1 VAL A 37 1.541 2.810 -1.488 1.00 0.00 C ATOM 574 CG2 VAL A 37 2.431 3.265 -3.772 1.00 0.00 C ATOM 0 H VAL A 37 4.846 1.725 -3.580 1.00 0.00 H new ATOM 0 HA VAL A 37 4.035 3.727 -1.464 1.00 0.00 H new ATOM 0 HB VAL A 37 2.557 1.378 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.559 2.606 -1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.672 2.220 -0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.618 3.870 -1.246 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.450 3.053 -4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.500 4.326 -3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.204 3.007 -4.495 1.00 0.00 H new ATOM 584 N ILE A 38 3.702 1.891 0.359 1.00 0.00 N ATOM 585 CA ILE A 38 3.971 0.942 1.476 1.00 0.00 C ATOM 586 C ILE A 38 2.664 0.288 1.924 1.00 0.00 C ATOM 587 O ILE A 38 1.770 0.947 2.400 1.00 0.00 O ATOM 588 CB ILE A 38 4.569 1.805 2.590 1.00 0.00 C ATOM 589 CG1 ILE A 38 5.979 2.248 2.183 1.00 0.00 C ATOM 590 CG2 ILE A 38 4.647 0.993 3.887 1.00 0.00 C ATOM 591 CD1 ILE A 38 5.910 3.585 1.437 1.00 0.00 C ATOM 0 H ILE A 38 3.038 2.636 0.569 1.00 0.00 H new ATOM 0 HA ILE A 38 4.645 0.134 1.192 1.00 0.00 H new ATOM 0 HB ILE A 38 3.939 2.680 2.749 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.608 2.347 3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.439 1.491 1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.073 1.610 4.678 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.646 0.673 4.176 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.277 0.118 3.731 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.915 3.894 1.151 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.297 3.472 0.543 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.469 4.341 2.086 1.00 0.00 H new ATOM 603 N PHE A 39 2.538 -1.003 1.771 1.00 0.00 N ATOM 604 CA PHE A 39 1.272 -1.665 2.187 1.00 0.00 C ATOM 605 C PHE A 39 1.465 -2.477 3.463 1.00 0.00 C ATOM 606 O PHE A 39 2.480 -3.113 3.666 1.00 0.00 O ATOM 607 CB PHE A 39 0.889 -2.576 1.022 1.00 0.00 C ATOM 608 CG PHE A 39 0.195 -1.753 -0.029 1.00 0.00 C ATOM 609 CD1 PHE A 39 0.925 -0.833 -0.789 1.00 0.00 C ATOM 610 CD2 PHE A 39 -1.178 -1.900 -0.239 1.00 0.00 C ATOM 611 CE1 PHE A 39 0.281 -0.062 -1.759 1.00 0.00 C ATOM 612 CE2 PHE A 39 -1.823 -1.128 -1.210 1.00 0.00 C ATOM 613 CZ PHE A 39 -1.094 -0.209 -1.970 1.00 0.00 C ATOM 0 H PHE A 39 3.249 -1.621 1.380 1.00 0.00 H new ATOM 0 HA PHE A 39 0.495 -0.933 2.407 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.778 -3.049 0.605 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.235 -3.376 1.368 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.986 -0.719 -0.626 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.741 -2.610 0.349 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.845 0.648 -2.346 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.885 -1.242 -1.373 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.592 0.387 -2.720 1.00 0.00 H new ATOM 623 N THR A 40 0.486 -2.458 4.321 1.00 0.00 N ATOM 624 CA THR A 40 0.584 -3.224 5.588 1.00 0.00 C ATOM 625 C THR A 40 -0.462 -4.341 5.600 1.00 0.00 C ATOM 626 O THR A 40 -1.538 -4.204 5.056 1.00 0.00 O ATOM 627 CB THR A 40 0.296 -2.201 6.693 1.00 0.00 C ATOM 628 OG1 THR A 40 1.386 -1.297 6.794 1.00 0.00 O ATOM 629 CG2 THR A 40 0.098 -2.918 8.032 1.00 0.00 C ATOM 0 H THR A 40 -0.384 -1.940 4.196 1.00 0.00 H new ATOM 0 HA THR A 40 1.558 -3.695 5.718 1.00 0.00 H new ATOM 0 HB THR A 40 -0.613 -1.653 6.446 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.203 -0.641 7.499 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.106 -2.184 8.811 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.742 -3.608 7.955 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.001 -3.473 8.284 1.00 0.00 H new ATOM 637 N THR A 41 -0.155 -5.439 6.225 1.00 0.00 N ATOM 638 CA THR A 41 -1.131 -6.560 6.283 1.00 0.00 C ATOM 639 C THR A 41 -1.951 -6.477 7.574 1.00 0.00 C ATOM 640 O THR A 41 -1.553 -5.849 8.534 1.00 0.00 O ATOM 641 CB THR A 41 -0.283 -7.829 6.277 1.00 0.00 C ATOM 642 OG1 THR A 41 0.872 -7.628 5.472 1.00 0.00 O ATOM 643 CG2 THR A 41 -1.103 -8.990 5.716 1.00 0.00 C ATOM 0 H THR A 41 0.731 -5.610 6.700 1.00 0.00 H new ATOM 0 HA THR A 41 -1.835 -6.535 5.451 1.00 0.00 H new ATOM 0 HB THR A 41 0.024 -8.063 7.296 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.416 -8.443 5.471 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.496 -9.896 5.712 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.985 -9.146 6.337 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.414 -8.757 4.697 1.00 0.00 H new ATOM 651 N LYS A 42 -3.089 -7.112 7.608 1.00 0.00 N ATOM 652 CA LYS A 42 -3.926 -7.075 8.841 1.00 0.00 C ATOM 653 C LYS A 42 -3.190 -7.770 9.991 1.00 0.00 C ATOM 654 O LYS A 42 -3.475 -7.544 11.150 1.00 0.00 O ATOM 655 CB LYS A 42 -5.204 -7.834 8.482 1.00 0.00 C ATOM 656 CG LYS A 42 -4.850 -9.258 8.044 1.00 0.00 C ATOM 657 CD LYS A 42 -6.062 -10.170 8.239 1.00 0.00 C ATOM 658 CE LYS A 42 -5.623 -11.633 8.133 1.00 0.00 C ATOM 659 NZ LYS A 42 -6.856 -12.427 8.399 1.00 0.00 N ATOM 0 H LYS A 42 -3.476 -7.655 6.836 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.141 -6.057 9.166 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.875 -7.863 9.340 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.733 -7.317 7.681 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.543 -9.262 6.998 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.006 -9.629 8.625 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.517 -9.985 9.212 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.820 -9.951 7.487 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.218 -11.853 7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.841 -11.864 8.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.634 -13.442 8.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.215 -12.202 9.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.580 -12.192 7.690 1.00 0.00 H new ATOM 673 N LYS A 43 -2.244 -8.612 9.676 1.00 0.00 N ATOM 674 CA LYS A 43 -1.485 -9.319 10.747 1.00 0.00 C ATOM 675 C LYS A 43 -0.617 -8.323 11.521 1.00 0.00 C ATOM 676 O LYS A 43 -0.262 -8.550 12.661 1.00 0.00 O ATOM 677 CB LYS A 43 -0.611 -10.329 10.007 1.00 0.00 C ATOM 678 CG LYS A 43 -0.651 -11.671 10.738 1.00 0.00 C ATOM 679 CD LYS A 43 -0.313 -12.795 9.756 1.00 0.00 C ATOM 680 CE LYS A 43 -0.831 -14.127 10.301 1.00 0.00 C ATOM 681 NZ LYS A 43 -0.151 -15.167 9.480 1.00 0.00 N ATOM 0 H LYS A 43 -1.964 -8.841 8.722 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.140 -9.801 11.472 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.964 -10.450 8.983 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.415 -9.965 9.949 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.060 -11.669 11.564 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.639 -11.834 11.168 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.762 -12.589 8.784 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.765 -12.847 9.605 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.593 -14.241 11.359 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.915 -14.197 10.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.455 -16.111 9.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.401 -15.038 8.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.879 -15.080 9.593 1.00 0.00 H new ATOM 695 N GLY A 44 -0.274 -7.224 10.909 1.00 0.00 N ATOM 696 CA GLY A 44 0.569 -6.216 11.604 1.00 0.00 C ATOM 697 C GLY A 44 1.924 -6.110 10.903 1.00 0.00 C ATOM 698 O GLY A 44 2.911 -5.721 11.494 1.00 0.00 O ATOM 0 H GLY A 44 -0.543 -6.981 9.955 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.070 -5.247 11.602 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.709 -6.501 12.647 1.00 0.00 H new ATOM 702 N GLN A 45 1.980 -6.453 9.643 1.00 0.00 N ATOM 703 CA GLN A 45 3.274 -6.368 8.906 1.00 0.00 C ATOM 704 C GLN A 45 3.331 -5.079 8.083 1.00 0.00 C ATOM 705 O GLN A 45 2.474 -4.224 8.189 1.00 0.00 O ATOM 706 CB GLN A 45 3.293 -7.590 7.986 1.00 0.00 C ATOM 707 CG GLN A 45 4.589 -8.373 8.204 1.00 0.00 C ATOM 708 CD GLN A 45 4.738 -9.430 7.110 1.00 0.00 C ATOM 709 OE1 GLN A 45 4.506 -9.159 5.949 1.00 0.00 O ATOM 710 NE2 GLN A 45 5.122 -10.635 7.434 1.00 0.00 N ATOM 0 H GLN A 45 1.188 -6.787 9.094 1.00 0.00 H new ATOM 0 HA GLN A 45 4.130 -6.354 9.581 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.432 -8.226 8.191 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.216 -7.276 6.945 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.443 -7.695 8.188 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.578 -8.849 9.185 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.317 -10.863 8.409 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.227 -11.348 6.712 1.00 0.00 H new ATOM 719 N GLN A 46 4.336 -4.932 7.263 1.00 0.00 N ATOM 720 CA GLN A 46 4.450 -3.699 6.434 1.00 0.00 C ATOM 721 C GLN A 46 5.385 -3.950 5.247 1.00 0.00 C ATOM 722 O GLN A 46 6.592 -3.967 5.390 1.00 0.00 O ATOM 723 CB GLN A 46 5.040 -2.646 7.371 1.00 0.00 C ATOM 724 CG GLN A 46 5.247 -1.337 6.608 1.00 0.00 C ATOM 725 CD GLN A 46 6.616 -0.750 6.959 1.00 0.00 C ATOM 726 OE1 GLN A 46 6.730 0.424 7.254 1.00 0.00 O ATOM 727 NE2 GLN A 46 7.668 -1.523 6.941 1.00 0.00 N ATOM 0 H GLN A 46 5.084 -5.613 7.132 1.00 0.00 H new ATOM 0 HA GLN A 46 3.491 -3.384 6.023 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.373 -2.483 8.217 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.989 -2.996 7.776 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.181 -1.515 5.535 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.460 -0.627 6.862 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.573 -2.508 6.694 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.585 -1.142 7.174 1.00 0.00 H new ATOM 736 N SER A 47 4.840 -4.142 4.079 1.00 0.00 N ATOM 737 CA SER A 47 5.702 -4.392 2.887 1.00 0.00 C ATOM 738 C SER A 47 5.596 -3.224 1.902 1.00 0.00 C ATOM 739 O SER A 47 4.558 -2.607 1.767 1.00 0.00 O ATOM 740 CB SER A 47 5.151 -5.672 2.262 1.00 0.00 C ATOM 741 OG SER A 47 4.052 -5.350 1.416 1.00 0.00 O ATOM 0 H SER A 47 3.836 -4.137 3.896 1.00 0.00 H new ATOM 0 HA SER A 47 6.755 -4.488 3.152 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.930 -6.175 1.689 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.833 -6.363 3.042 1.00 0.00 H new ATOM 0 HG SER A 47 3.698 -6.170 1.013 1.00 0.00 H new ATOM 747 N CYS A 48 6.660 -2.919 1.213 1.00 0.00 N ATOM 748 CA CYS A 48 6.614 -1.794 0.237 1.00 0.00 C ATOM 749 C CYS A 48 5.963 -2.257 -1.069 1.00 0.00 C ATOM 750 O CYS A 48 6.431 -3.174 -1.713 1.00 0.00 O ATOM 751 CB CYS A 48 8.076 -1.406 0.003 1.00 0.00 C ATOM 752 SG CYS A 48 8.156 0.303 -0.590 1.00 0.00 S ATOM 0 H CYS A 48 7.558 -3.399 1.283 1.00 0.00 H new ATOM 0 HA CYS A 48 6.027 -0.952 0.604 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.644 -1.509 0.928 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.530 -2.077 -0.726 1.00 0.00 H new ATOM 757 N GLY A 49 4.891 -1.627 -1.470 1.00 0.00 N ATOM 758 CA GLY A 49 4.226 -2.032 -2.735 1.00 0.00 C ATOM 759 C GLY A 49 4.843 -1.250 -3.885 1.00 0.00 C ATOM 760 O GLY A 49 5.151 -0.082 -3.764 1.00 0.00 O ATOM 0 H GLY A 49 4.450 -0.852 -0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.347 -3.103 -2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.155 -1.837 -2.678 1.00 0.00 H new ATOM 764 N ASP A 50 5.027 -1.886 -4.998 1.00 0.00 N ATOM 765 CA ASP A 50 5.628 -1.183 -6.161 1.00 0.00 C ATOM 766 C ASP A 50 4.518 -0.549 -7.013 1.00 0.00 C ATOM 767 O ASP A 50 3.583 -1.221 -7.399 1.00 0.00 O ATOM 768 CB ASP A 50 6.373 -2.273 -6.937 1.00 0.00 C ATOM 769 CG ASP A 50 6.848 -1.726 -8.286 1.00 0.00 C ATOM 770 OD1 ASP A 50 6.798 -0.521 -8.468 1.00 0.00 O ATOM 771 OD2 ASP A 50 7.257 -2.523 -9.115 1.00 0.00 O ATOM 0 H ASP A 50 4.788 -2.865 -5.157 1.00 0.00 H new ATOM 0 HA ASP A 50 6.299 -0.375 -5.869 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.226 -2.624 -6.357 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.719 -3.131 -7.093 1.00 0.00 H new ATOM 776 N PRO A 51 4.650 0.731 -7.279 1.00 0.00 N ATOM 777 CA PRO A 51 3.630 1.438 -8.090 1.00 0.00 C ATOM 778 C PRO A 51 3.665 0.929 -9.531 1.00 0.00 C ATOM 779 O PRO A 51 2.703 1.039 -10.265 1.00 0.00 O ATOM 780 CB PRO A 51 4.048 2.905 -8.002 1.00 0.00 C ATOM 781 CG PRO A 51 5.509 2.866 -7.692 1.00 0.00 C ATOM 782 CD PRO A 51 5.739 1.626 -6.869 1.00 0.00 C ATOM 0 HA PRO A 51 2.610 1.282 -7.740 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.856 3.428 -8.939 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.492 3.429 -7.224 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.099 2.839 -8.608 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.813 3.758 -7.143 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.716 1.187 -7.071 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.700 1.841 -5.801 1.00 0.00 H new ATOM 790 N LYS A 52 4.764 0.352 -9.936 1.00 0.00 N ATOM 791 CA LYS A 52 4.852 -0.185 -11.321 1.00 0.00 C ATOM 792 C LYS A 52 3.923 -1.394 -11.450 1.00 0.00 C ATOM 793 O LYS A 52 3.473 -1.736 -12.526 1.00 0.00 O ATOM 794 CB LYS A 52 6.315 -0.599 -11.501 1.00 0.00 C ATOM 795 CG LYS A 52 7.235 0.565 -11.121 1.00 0.00 C ATOM 796 CD LYS A 52 8.084 0.965 -12.328 1.00 0.00 C ATOM 797 CE LYS A 52 9.362 1.657 -11.846 1.00 0.00 C ATOM 798 NZ LYS A 52 10.380 0.573 -11.751 1.00 0.00 N ATOM 0 H LYS A 52 5.602 0.230 -9.368 1.00 0.00 H new ATOM 0 HA LYS A 52 4.552 0.541 -12.077 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.536 -1.467 -10.879 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.494 -0.894 -12.535 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.642 1.415 -10.784 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.879 0.276 -10.291 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.335 0.083 -12.918 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.519 1.633 -12.978 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.677 2.433 -12.544 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.209 2.139 -10.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.283 0.973 -11.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.057 -0.148 -11.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.511 0.137 -12.686 1.00 0.00 H new ATOM 812 N GLN A 53 3.624 -2.037 -10.349 1.00 0.00 N ATOM 813 CA GLN A 53 2.716 -3.218 -10.393 1.00 0.00 C ATOM 814 C GLN A 53 1.259 -2.749 -10.427 1.00 0.00 C ATOM 815 O GLN A 53 0.960 -1.603 -10.159 1.00 0.00 O ATOM 816 CB GLN A 53 3.002 -3.987 -9.106 1.00 0.00 C ATOM 817 CG GLN A 53 4.029 -5.087 -9.383 1.00 0.00 C ATOM 818 CD GLN A 53 3.366 -6.215 -10.174 1.00 0.00 C ATOM 819 OE1 GLN A 53 2.160 -6.241 -10.324 1.00 0.00 O ATOM 820 NE2 GLN A 53 4.107 -7.155 -10.693 1.00 0.00 N ATOM 0 H GLN A 53 3.971 -1.793 -9.422 1.00 0.00 H new ATOM 0 HA GLN A 53 2.877 -3.836 -11.276 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.379 -3.308 -8.341 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.081 -4.424 -8.719 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.871 -4.681 -9.944 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.428 -5.472 -8.444 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.119 -7.134 -10.568 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.674 -7.911 -11.224 1.00 0.00 H new ATOM 829 N GLU A 54 0.352 -3.620 -10.772 1.00 0.00 N ATOM 830 CA GLU A 54 -1.081 -3.211 -10.842 1.00 0.00 C ATOM 831 C GLU A 54 -1.813 -3.448 -9.512 1.00 0.00 C ATOM 832 O GLU A 54 -2.886 -2.922 -9.308 1.00 0.00 O ATOM 833 CB GLU A 54 -1.683 -4.083 -11.943 1.00 0.00 C ATOM 834 CG GLU A 54 -2.485 -3.203 -12.905 1.00 0.00 C ATOM 835 CD GLU A 54 -2.638 -3.915 -14.250 1.00 0.00 C ATOM 836 OE1 GLU A 54 -3.466 -4.809 -14.335 1.00 0.00 O ATOM 837 OE2 GLU A 54 -1.926 -3.557 -15.172 1.00 0.00 O ATOM 0 H GLU A 54 0.539 -4.595 -11.008 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.177 -2.145 -11.047 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.892 -4.604 -12.483 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.328 -4.846 -11.507 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.467 -2.987 -12.483 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.981 -2.247 -13.044 1.00 0.00 H new ATOM 844 N TRP A 55 -1.271 -4.227 -8.610 1.00 0.00 N ATOM 845 CA TRP A 55 -1.997 -4.456 -7.324 1.00 0.00 C ATOM 846 C TRP A 55 -1.856 -3.240 -6.407 1.00 0.00 C ATOM 847 O TRP A 55 -2.783 -2.898 -5.700 1.00 0.00 O ATOM 848 CB TRP A 55 -1.393 -5.725 -6.719 1.00 0.00 C ATOM 849 CG TRP A 55 0.010 -5.498 -6.263 1.00 0.00 C ATOM 850 CD1 TRP A 55 1.115 -5.774 -6.992 1.00 0.00 C ATOM 851 CD2 TRP A 55 0.482 -4.994 -4.982 1.00 0.00 C ATOM 852 NE1 TRP A 55 2.233 -5.466 -6.239 1.00 0.00 N ATOM 853 CE2 TRP A 55 1.894 -4.985 -4.998 1.00 0.00 C ATOM 854 CE3 TRP A 55 -0.168 -4.544 -3.819 1.00 0.00 C ATOM 855 CZ2 TRP A 55 2.637 -4.554 -3.910 1.00 0.00 C ATOM 856 CZ3 TRP A 55 0.579 -4.104 -2.714 1.00 0.00 C ATOM 857 CH2 TRP A 55 1.981 -4.111 -2.759 1.00 0.00 C ATOM 0 H TRP A 55 -0.375 -4.706 -8.704 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.069 -4.587 -7.472 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.002 -6.054 -5.877 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -1.412 -6.526 -7.458 1.00 0.00 H new ATOM 0 HD1 TRP A 55 1.123 -6.170 -7.997 1.00 0.00 H new ATOM 0 HE1 TRP A 55 3.192 -5.582 -6.565 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -1.247 -4.537 -3.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.716 -4.561 -3.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 0.072 -3.759 -1.825 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.552 -3.775 -1.906 1.00 0.00 H new ATOM 868 N VAL A 56 -0.744 -2.546 -6.438 1.00 0.00 N ATOM 869 CA VAL A 56 -0.648 -1.327 -5.583 1.00 0.00 C ATOM 870 C VAL A 56 -1.611 -0.296 -6.165 1.00 0.00 C ATOM 871 O VAL A 56 -2.351 0.358 -5.455 1.00 0.00 O ATOM 872 CB VAL A 56 0.795 -0.824 -5.674 1.00 0.00 C ATOM 873 CG1 VAL A 56 0.945 0.389 -4.757 1.00 0.00 C ATOM 874 CG2 VAL A 56 1.763 -1.913 -5.213 1.00 0.00 C ATOM 0 H VAL A 56 0.078 -2.763 -7.001 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.902 -1.519 -4.541 1.00 0.00 H new ATOM 0 HB VAL A 56 1.022 -0.558 -6.707 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.968 0.761 -4.810 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.258 1.173 -5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.716 0.100 -3.731 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.786 -1.543 -5.282 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.543 -2.181 -4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.651 -2.792 -5.848 1.00 0.00 H new ATOM 884 N GLN A 57 -1.624 -0.178 -7.466 1.00 0.00 N ATOM 885 CA GLN A 57 -2.554 0.770 -8.133 1.00 0.00 C ATOM 886 C GLN A 57 -3.984 0.264 -7.951 1.00 0.00 C ATOM 887 O GLN A 57 -4.847 0.960 -7.455 1.00 0.00 O ATOM 888 CB GLN A 57 -2.150 0.725 -9.607 1.00 0.00 C ATOM 889 CG GLN A 57 -2.074 2.147 -10.156 1.00 0.00 C ATOM 890 CD GLN A 57 -3.465 2.787 -10.118 1.00 0.00 C ATOM 891 OE1 GLN A 57 -3.610 3.926 -9.724 1.00 0.00 O ATOM 892 NE2 GLN A 57 -4.500 2.096 -10.514 1.00 0.00 N ATOM 0 H GLN A 57 -1.022 -0.705 -8.099 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.507 1.782 -7.731 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.185 0.229 -9.716 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.874 0.142 -10.176 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.374 2.739 -9.566 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -1.697 2.133 -11.179 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.378 1.139 -10.845 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.430 2.513 -10.492 1.00 0.00 H new ATOM 901 N ARG A 58 -4.228 -0.963 -8.331 1.00 0.00 N ATOM 902 CA ARG A 58 -5.588 -1.552 -8.163 1.00 0.00 C ATOM 903 C ARG A 58 -6.041 -1.354 -6.719 1.00 0.00 C ATOM 904 O ARG A 58 -7.167 -0.989 -6.446 1.00 0.00 O ATOM 905 CB ARG A 58 -5.399 -3.041 -8.470 1.00 0.00 C ATOM 906 CG ARG A 58 -6.688 -3.812 -8.181 1.00 0.00 C ATOM 907 CD ARG A 58 -6.345 -5.237 -7.745 1.00 0.00 C ATOM 908 NE ARG A 58 -7.434 -6.084 -8.305 1.00 0.00 N ATOM 909 CZ ARG A 58 -7.405 -7.377 -8.143 1.00 0.00 C ATOM 910 NH1 ARG A 58 -7.089 -7.883 -6.982 1.00 0.00 N ATOM 911 NH2 ARG A 58 -7.693 -8.168 -9.142 1.00 0.00 N ATOM 0 H ARG A 58 -3.539 -1.585 -8.753 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.340 -1.097 -8.808 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.117 -3.171 -9.515 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.584 -3.443 -7.867 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.258 -3.309 -7.400 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.318 -3.834 -9.070 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.371 -5.543 -8.127 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.301 -5.318 -6.659 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.204 -5.652 -8.816 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.865 -7.266 -6.201 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.066 -8.895 -6.856 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.941 -7.774 -10.050 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.670 -9.180 -9.014 1.00 0.00 H new ATOM 925 N TYR A 59 -5.151 -1.579 -5.794 1.00 0.00 N ATOM 926 CA TYR A 59 -5.493 -1.397 -4.362 1.00 0.00 C ATOM 927 C TYR A 59 -5.801 0.076 -4.097 1.00 0.00 C ATOM 928 O TYR A 59 -6.854 0.430 -3.605 1.00 0.00 O ATOM 929 CB TYR A 59 -4.233 -1.808 -3.604 1.00 0.00 C ATOM 930 CG TYR A 59 -4.177 -3.311 -3.412 1.00 0.00 C ATOM 931 CD1 TYR A 59 -4.716 -4.184 -4.372 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.577 -3.830 -2.259 1.00 0.00 C ATOM 933 CE1 TYR A 59 -4.652 -5.570 -4.167 1.00 0.00 C ATOM 934 CE2 TYR A 59 -3.520 -5.213 -2.055 1.00 0.00 C ATOM 935 CZ TYR A 59 -4.058 -6.081 -3.009 1.00 0.00 C ATOM 936 OH TYR A 59 -4.011 -7.441 -2.804 1.00 0.00 O ATOM 0 H TYR A 59 -4.194 -1.884 -5.973 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.363 -1.980 -4.061 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.351 -1.475 -4.151 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.211 -1.313 -2.633 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.178 -3.789 -5.265 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.156 -3.160 -1.524 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.062 -6.244 -4.905 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.061 -5.609 -1.161 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.115 -7.774 -3.020 1.00 0.00 H new ATOM 946 N MET A 60 -4.877 0.938 -4.429 1.00 0.00 N ATOM 947 CA MET A 60 -5.092 2.397 -4.211 1.00 0.00 C ATOM 948 C MET A 60 -6.447 2.821 -4.786 1.00 0.00 C ATOM 949 O MET A 60 -7.052 3.777 -4.344 1.00 0.00 O ATOM 950 CB MET A 60 -3.956 3.082 -4.959 1.00 0.00 C ATOM 951 CG MET A 60 -3.187 3.989 -3.996 1.00 0.00 C ATOM 952 SD MET A 60 -1.524 4.256 -4.634 1.00 0.00 S ATOM 953 CE MET A 60 -1.020 2.529 -4.522 1.00 0.00 C ATOM 0 H MET A 60 -3.978 0.692 -4.844 1.00 0.00 H new ATOM 0 HA MET A 60 -5.098 2.660 -3.153 1.00 0.00 H new ATOM 0 HB2 MET A 60 -3.286 2.336 -5.387 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.353 3.667 -5.788 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.704 4.942 -3.884 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.141 3.533 -3.007 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.218 2.431 -3.790 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.870 1.921 -4.213 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.666 2.189 -5.495 1.00 0.00 H new ATOM 963 N LYS A 61 -6.928 2.106 -5.767 1.00 0.00 N ATOM 964 CA LYS A 61 -8.246 2.454 -6.369 1.00 0.00 C ATOM 965 C LYS A 61 -9.370 2.110 -5.391 1.00 0.00 C ATOM 966 O LYS A 61 -10.157 2.953 -5.013 1.00 0.00 O ATOM 967 CB LYS A 61 -8.351 1.596 -7.630 1.00 0.00 C ATOM 968 CG LYS A 61 -9.383 2.210 -8.577 1.00 0.00 C ATOM 969 CD LYS A 61 -9.586 1.291 -9.782 1.00 0.00 C ATOM 970 CE LYS A 61 -10.937 1.592 -10.435 1.00 0.00 C ATOM 971 NZ LYS A 61 -11.112 0.528 -11.461 1.00 0.00 N ATOM 0 H LYS A 61 -6.464 1.295 -6.177 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.330 3.517 -6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.381 1.534 -8.123 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.641 0.579 -7.368 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.329 2.356 -8.055 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.047 3.192 -8.909 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.782 1.437 -10.503 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.547 0.248 -9.467 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.744 1.571 -9.702 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.945 2.583 -10.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.018 0.666 -11.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.333 0.577 -12.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.108 -0.404 -10.999 1.00 0.00 H new ATOM 985 N ASN A 62 -9.444 0.876 -4.969 1.00 0.00 N ATOM 986 CA ASN A 62 -10.513 0.487 -4.007 1.00 0.00 C ATOM 987 C ASN A 62 -10.320 1.248 -2.694 1.00 0.00 C ATOM 988 O ASN A 62 -11.266 1.621 -2.031 1.00 0.00 O ATOM 989 CB ASN A 62 -10.322 -1.017 -3.790 1.00 0.00 C ATOM 990 CG ASN A 62 -11.669 -1.728 -3.931 1.00 0.00 C ATOM 991 OD1 ASN A 62 -12.240 -2.172 -2.952 1.00 0.00 O ATOM 992 ND2 ASN A 62 -12.207 -1.856 -5.112 1.00 0.00 N ATOM 0 H ASN A 62 -8.813 0.124 -5.248 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.513 0.718 -4.373 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -9.612 -1.413 -4.516 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -9.903 -1.202 -2.801 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -13.105 -2.328 -5.215 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -11.729 -1.484 -5.933 1.00 0.00 H new ATOM 999 N LEU A 63 -9.091 1.481 -2.321 1.00 0.00 N ATOM 1000 CA LEU A 63 -8.814 2.219 -1.059 1.00 0.00 C ATOM 1001 C LEU A 63 -9.287 3.669 -1.173 1.00 0.00 C ATOM 1002 O LEU A 63 -9.831 4.231 -0.242 1.00 0.00 O ATOM 1003 CB LEU A 63 -7.295 2.151 -0.905 1.00 0.00 C ATOM 1004 CG LEU A 63 -6.937 0.955 -0.024 1.00 0.00 C ATOM 1005 CD1 LEU A 63 -5.521 0.479 -0.356 1.00 0.00 C ATOM 1006 CD2 LEU A 63 -7.006 1.367 1.447 1.00 0.00 C ATOM 0 H LEU A 63 -8.263 1.189 -2.841 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.334 1.794 -0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.822 2.054 -1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.920 3.072 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.643 0.145 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.267 -0.374 0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.473 0.184 -1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.813 1.288 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.751 0.514 2.076 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.301 2.178 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.015 1.703 1.684 1.00 0.00 H new ATOM 1018 N ASP A 64 -9.085 4.278 -2.305 1.00 0.00 N ATOM 1019 CA ASP A 64 -9.527 5.692 -2.481 1.00 0.00 C ATOM 1020 C ASP A 64 -11.007 5.736 -2.864 1.00 0.00 C ATOM 1021 O ASP A 64 -11.725 6.648 -2.504 1.00 0.00 O ATOM 1022 CB ASP A 64 -8.662 6.242 -3.614 1.00 0.00 C ATOM 1023 CG ASP A 64 -7.337 6.752 -3.044 1.00 0.00 C ATOM 1024 OD1 ASP A 64 -6.508 5.926 -2.699 1.00 0.00 O ATOM 1025 OD2 ASP A 64 -7.174 7.957 -2.960 1.00 0.00 O ATOM 0 H ASP A 64 -8.633 3.860 -3.118 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.417 6.276 -1.567 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.476 5.464 -4.354 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.185 7.050 -4.126 1.00 0.00 H new ATOM 1030 N ALA A 65 -11.469 4.756 -3.590 1.00 0.00 N ATOM 1031 CA ALA A 65 -12.904 4.740 -3.992 1.00 0.00 C ATOM 1032 C ALA A 65 -13.799 4.535 -2.765 1.00 0.00 C ATOM 1033 O ALA A 65 -14.990 4.781 -2.806 1.00 0.00 O ATOM 1034 CB ALA A 65 -13.032 3.558 -4.952 1.00 0.00 C ATOM 0 H ALA A 65 -10.916 3.966 -3.922 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.213 5.678 -4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -14.064 3.478 -5.295 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -12.376 3.712 -5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.748 2.640 -4.438 1.00 0.00 H new ATOM 1040 N LYS A 66 -13.241 4.084 -1.672 1.00 0.00 N ATOM 1041 CA LYS A 66 -14.067 3.863 -0.448 1.00 0.00 C ATOM 1042 C LYS A 66 -14.717 5.173 -0.002 1.00 0.00 C ATOM 1043 O LYS A 66 -15.858 5.201 0.415 1.00 0.00 O ATOM 1044 CB LYS A 66 -13.085 3.365 0.612 1.00 0.00 C ATOM 1045 CG LYS A 66 -13.821 2.465 1.604 1.00 0.00 C ATOM 1046 CD LYS A 66 -13.113 1.112 1.692 1.00 0.00 C ATOM 1047 CE LYS A 66 -13.276 0.363 0.367 1.00 0.00 C ATOM 1048 NZ LYS A 66 -12.256 -0.721 0.409 1.00 0.00 N ATOM 0 H LYS A 66 -12.251 3.859 -1.574 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.874 3.152 -0.621 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.271 2.815 0.140 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -12.637 4.210 1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -13.850 2.936 2.586 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.855 2.326 1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.055 1.257 1.912 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -13.531 0.523 2.509 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.282 -0.045 0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.113 1.025 -0.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.306 -1.279 -0.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.308 -0.303 0.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.440 -1.340 1.224 1.00 0.00 H new ATOM 1062 N GLN A 67 -14.000 6.259 -0.084 1.00 0.00 N ATOM 1063 CA GLN A 67 -14.578 7.568 0.338 1.00 0.00 C ATOM 1064 C GLN A 67 -14.871 8.436 -0.888 1.00 0.00 C ATOM 1065 O GLN A 67 -15.999 8.803 -1.144 1.00 0.00 O ATOM 1066 CB GLN A 67 -13.502 8.217 1.209 1.00 0.00 C ATOM 1067 CG GLN A 67 -13.658 7.742 2.656 1.00 0.00 C ATOM 1068 CD GLN A 67 -12.924 6.413 2.838 1.00 0.00 C ATOM 1069 OE1 GLN A 67 -13.492 5.452 3.317 1.00 0.00 O ATOM 1070 NE2 GLN A 67 -11.675 6.317 2.471 1.00 0.00 N ATOM 0 H GLN A 67 -13.039 6.298 -0.425 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.519 7.449 0.876 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.512 7.957 0.835 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.587 9.303 1.161 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.256 8.489 3.341 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -14.714 7.623 2.899 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -11.198 7.124 2.069 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.176 5.435 2.586 1.00 0.00 H new ATOM 1079 N LYS A 68 -13.862 8.765 -1.647 1.00 0.00 N ATOM 1080 CA LYS A 68 -14.085 9.608 -2.856 1.00 0.00 C ATOM 1081 C LYS A 68 -14.963 8.858 -3.863 1.00 0.00 C ATOM 1082 O LYS A 68 -14.474 8.223 -4.777 1.00 0.00 O ATOM 1083 CB LYS A 68 -12.689 9.847 -3.435 1.00 0.00 C ATOM 1084 CG LYS A 68 -12.525 11.329 -3.783 1.00 0.00 C ATOM 1085 CD LYS A 68 -11.068 11.605 -4.159 1.00 0.00 C ATOM 1086 CE LYS A 68 -10.836 11.202 -5.617 1.00 0.00 C ATOM 1087 NZ LYS A 68 -10.667 12.490 -6.347 1.00 0.00 N ATOM 0 H LYS A 68 -12.894 8.487 -1.483 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.594 10.543 -2.622 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.929 9.546 -2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.544 9.236 -4.326 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.182 11.594 -4.611 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.816 11.948 -2.934 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.839 12.662 -4.021 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.399 11.046 -3.504 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.952 10.572 -5.717 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.679 10.633 -6.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.503 12.298 -7.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.526 13.066 -6.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.853 13.006 -5.956 1.00 0.00 H new ATOM 1101 N LYS A 69 -16.256 8.927 -3.705 1.00 0.00 N ATOM 1102 CA LYS A 69 -17.163 8.216 -4.653 1.00 0.00 C ATOM 1103 C LYS A 69 -17.369 9.054 -5.918 1.00 0.00 C ATOM 1104 O LYS A 69 -18.483 9.355 -6.301 1.00 0.00 O ATOM 1105 CB LYS A 69 -18.480 8.055 -3.892 1.00 0.00 C ATOM 1106 CG LYS A 69 -19.018 9.433 -3.505 1.00 0.00 C ATOM 1107 CD LYS A 69 -20.430 9.610 -4.064 1.00 0.00 C ATOM 1108 CE LYS A 69 -21.453 9.352 -2.956 1.00 0.00 C ATOM 1109 NZ LYS A 69 -22.404 8.364 -3.534 1.00 0.00 N ATOM 0 H LYS A 69 -16.725 9.444 -2.961 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.758 7.256 -4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -19.208 7.529 -4.510 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -18.324 7.450 -2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -19.030 9.538 -2.420 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -18.362 10.212 -3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -20.552 10.618 -4.459 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -20.594 8.921 -4.893 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -20.973 8.960 -2.059 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -21.964 10.271 -2.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -23.137 8.136 -2.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -22.850 8.767 -4.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -21.890 7.497 -3.792 1.00 0.00 H new ATOM 1123 N ALA A 70 -16.303 9.433 -6.568 1.00 0.00 N ATOM 1124 CA ALA A 70 -16.435 10.248 -7.809 1.00 0.00 C ATOM 1125 C ALA A 70 -15.670 9.584 -8.957 1.00 0.00 C ATOM 1126 O ALA A 70 -14.911 10.220 -9.662 1.00 0.00 O ATOM 1127 CB ALA A 70 -15.814 11.602 -7.460 1.00 0.00 C ATOM 0 H ALA A 70 -15.346 9.213 -6.293 1.00 0.00 H new ATOM 0 HA ALA A 70 -17.471 10.348 -8.133 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -15.872 12.263 -8.325 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -16.357 12.047 -6.626 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -14.770 11.462 -7.180 1.00 0.00 H new ATOM 1133 N SER A 71 -15.866 8.307 -9.149 1.00 0.00 N ATOM 1134 CA SER A 71 -15.152 7.596 -10.247 1.00 0.00 C ATOM 1135 C SER A 71 -15.702 8.022 -11.616 1.00 0.00 C ATOM 1136 O SER A 71 -14.960 8.491 -12.457 1.00 0.00 O ATOM 1137 CB SER A 71 -15.419 6.112 -9.999 1.00 0.00 C ATOM 1138 OG SER A 71 -14.201 5.469 -9.647 1.00 0.00 O ATOM 0 H SER A 71 -16.491 7.725 -8.591 1.00 0.00 H new ATOM 0 HA SER A 71 -14.086 7.824 -10.255 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.152 5.991 -9.201 1.00 0.00 H new ATOM 0 HB3 SER A 71 -15.842 5.652 -10.892 1.00 0.00 H new ATOM 0 HG SER A 71 -14.368 4.517 -9.485 1.00 0.00 H new ATOM 1144 N PRO A 72 -16.986 7.842 -11.800 1.00 0.00 N ATOM 1145 CA PRO A 72 -17.623 8.212 -13.086 1.00 0.00 C ATOM 1146 C PRO A 72 -17.704 9.734 -13.224 1.00 0.00 C ATOM 1147 O PRO A 72 -17.999 10.440 -12.281 1.00 0.00 O ATOM 1148 CB PRO A 72 -19.013 7.595 -12.995 1.00 0.00 C ATOM 1149 CG PRO A 72 -19.283 7.471 -11.533 1.00 0.00 C ATOM 1150 CD PRO A 72 -17.953 7.288 -10.848 1.00 0.00 C ATOM 0 HA PRO A 72 -17.067 7.859 -13.955 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -19.757 8.225 -13.482 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -19.047 6.623 -13.487 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -19.789 8.361 -11.159 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -19.938 6.623 -11.333 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.920 7.813 -9.894 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.752 6.237 -10.640 1.00 0.00 H new ATOM 1158 N ARG A 73 -17.441 10.246 -14.396 1.00 0.00 N ATOM 1159 CA ARG A 73 -17.500 11.723 -14.594 1.00 0.00 C ATOM 1160 C ARG A 73 -17.801 12.049 -16.060 1.00 0.00 C ATOM 1161 O ARG A 73 -18.455 11.245 -16.703 1.00 0.00 O ATOM 1162 CB ARG A 73 -16.109 12.226 -14.205 1.00 0.00 C ATOM 1163 CG ARG A 73 -16.228 13.600 -13.543 1.00 0.00 C ATOM 1164 CD ARG A 73 -15.146 14.528 -14.097 1.00 0.00 C ATOM 1165 NE ARG A 73 -14.149 14.656 -13.000 1.00 0.00 N ATOM 1166 CZ ARG A 73 -14.012 15.792 -12.372 1.00 0.00 C ATOM 1167 NH1 ARG A 73 -14.838 16.113 -11.416 1.00 0.00 N ATOM 1168 NH2 ARG A 73 -13.047 16.605 -12.702 1.00 0.00 N ATOM 1169 OXT ARG A 73 -17.375 13.098 -16.512 1.00 0.00 O ATOM 0 H ARG A 73 -17.188 9.706 -15.224 1.00 0.00 H new ATOM 0 HA ARG A 73 -18.285 12.191 -14.000 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -15.634 11.522 -13.522 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.474 12.290 -15.089 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -17.215 14.022 -13.731 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.122 13.505 -12.462 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.692 14.112 -14.996 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.560 15.499 -14.369 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.573 13.856 -12.739 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.592 15.476 -11.158 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -14.730 17.001 -10.926 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.401 16.353 -13.450 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.939 17.493 -12.212 1.00 0.00 H new TER 1183 ARG A 73