USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 0 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 60 LYS NZ :NH3+ -169:sc= 0.444 (180deg=0) USER MOD Set 1.2: A 74 SER OG : rot -49:sc= 1.14 USER MOD Set 1.3: A 81 ASN : amide:sc= 0.0882 K(o=1.7,f=0.47) USER MOD Set 2.1: A 30 HIS : no HD1:sc= -1.18 K(o=-0.96,f=-3.6!) USER MOD Set 2.2: A 32 THR OG1 : rot -33:sc= 0.218 USER MOD Set 2.3: A 59 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 19 ASN : amide:sc= -0.208 K(o=-0.21,f=-2.9!) USER MOD Set 3.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 VAL N :NH3+ -148:sc= -0.168 (180deg=-1.1) USER MOD Single : A 10 ASN : amide:sc= 0.158 K(o=0.16,f=-0.83) USER MOD Single : A 20 SER OG : rot 113:sc= 1.63 USER MOD Single : A 22 GLN : amide:sc= 0.389 K(o=0.39,f=-5.3!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 33:sc= 0.699 USER MOD Single : A 26 ASN : amide:sc= -0.041 X(o=-0.041,f=-0.074) USER MOD Single : A 29 GLN : amide:sc= -2.17! K(o=-2.2!,f=0.18) USER MOD Single : A 35 SER OG : rot 55:sc= 0.214 USER MOD Single : A 37 SER OG : rot 179:sc= -0.943 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 79:sc= 1.19 USER MOD Single : A 53 THR OG1 : rot 6:sc= 1.17 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -37:sc= 1.27 USER MOD Single : A 82 THR OG1 : rot 121:sc= 0.162 USER MOD Single : A 83 ASN : amide:sc= 0.532 K(o=0.53,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.00032) USER MOD Single : A 89 ASN : amide:sc= -0.0216 X(o=-0.022,f=0) USER MOD Single : A 93 SER OG : rot -55:sc= 0.196 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -23.505 -6.923 -4.039 1.00 0.00 N ATOM 2 CA VAL A 1 -24.779 -6.815 -3.265 1.00 0.00 C ATOM 3 C VAL A 1 -25.173 -8.079 -2.393 1.00 0.00 C ATOM 4 O VAL A 1 -25.695 -7.814 -1.302 1.00 0.00 O ATOM 5 CB VAL A 1 -25.916 -6.262 -4.202 1.00 0.00 C ATOM 6 CG1 VAL A 1 -26.445 -7.200 -5.311 1.00 0.00 C ATOM 7 CG2 VAL A 1 -27.134 -5.737 -3.408 1.00 0.00 C ATOM 0 H1 VAL A 1 -23.064 -5.984 -4.114 1.00 0.00 H new ATOM 0 H2 VAL A 1 -22.856 -7.573 -3.551 1.00 0.00 H new ATOM 0 H3 VAL A 1 -23.707 -7.287 -4.992 1.00 0.00 H new ATOM 0 HA VAL A 1 -24.612 -6.086 -2.472 1.00 0.00 H new ATOM 0 HB VAL A 1 -25.386 -5.457 -4.711 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -27.223 -6.690 -5.878 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -25.627 -7.471 -5.979 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -26.858 -8.102 -4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -27.889 -5.367 -4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -27.555 -6.546 -2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -26.818 -4.927 -2.750 1.00 0.00 H new ATOM 8 N PRO A 2 -24.985 -9.406 -2.713 1.00 0.00 N ATOM 9 CA PRO A 2 -25.406 -10.526 -1.815 1.00 0.00 C ATOM 10 C PRO A 2 -24.535 -10.690 -0.519 1.00 0.00 C ATOM 11 O PRO A 2 -23.535 -11.412 -0.497 1.00 0.00 O ATOM 12 CB PRO A 2 -25.365 -11.752 -2.762 1.00 0.00 C ATOM 13 CG PRO A 2 -25.300 -11.187 -4.181 1.00 0.00 C ATOM 14 CD PRO A 2 -24.506 -9.895 -4.018 1.00 0.00 C ATOM 0 HA PRO A 2 -26.389 -10.359 -1.375 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -24.498 -12.379 -2.552 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -26.249 -12.376 -2.631 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -24.806 -11.877 -4.865 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -26.295 -10.998 -4.583 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -23.431 -10.074 -4.017 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -24.711 -9.186 -4.820 1.00 0.00 H new ATOM 15 N ASP A 3 -24.939 -10.004 0.568 1.00 0.00 N ATOM 16 CA ASP A 3 -24.191 -9.939 1.864 1.00 0.00 C ATOM 17 C ASP A 3 -22.763 -9.260 1.735 1.00 0.00 C ATOM 18 O ASP A 3 -21.782 -10.002 1.612 1.00 0.00 O ATOM 19 CB ASP A 3 -24.173 -11.347 2.540 1.00 0.00 C ATOM 20 CG ASP A 3 -23.625 -11.377 3.963 1.00 0.00 C ATOM 21 OD1 ASP A 3 -22.264 -11.281 3.994 1.00 0.00 O ATOM 22 OD2 ASP A 3 -24.337 -11.461 4.958 1.00 0.00 O ATOM 0 H ASP A 3 -25.806 -9.467 0.583 1.00 0.00 H new ATOM 0 HA ASP A 3 -24.728 -9.266 2.533 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -25.190 -11.740 2.551 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -23.577 -12.021 1.924 1.00 0.00 H new ATOM 23 N PRO A 4 -22.578 -7.908 1.852 1.00 0.00 N ATOM 24 CA PRO A 4 -21.223 -7.264 1.811 1.00 0.00 C ATOM 25 C PRO A 4 -20.076 -7.744 2.772 1.00 0.00 C ATOM 26 O PRO A 4 -18.907 -7.596 2.417 1.00 0.00 O ATOM 27 CB PRO A 4 -21.584 -5.783 2.046 1.00 0.00 C ATOM 28 CG PRO A 4 -22.993 -5.622 1.476 1.00 0.00 C ATOM 29 CD PRO A 4 -23.689 -6.933 1.835 1.00 0.00 C ATOM 0 HA PRO A 4 -20.740 -7.532 0.871 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -21.557 -5.534 3.107 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -20.878 -5.121 1.545 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -23.505 -4.765 1.914 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -22.972 -5.464 0.398 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -24.188 -6.873 2.802 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -24.449 -7.200 1.101 1.00 0.00 H new ATOM 30 N ARG A 5 -20.406 -8.303 3.957 1.00 0.00 N ATOM 31 CA ARG A 5 -19.448 -8.906 4.933 1.00 0.00 C ATOM 32 C ARG A 5 -18.624 -7.840 5.741 1.00 0.00 C ATOM 33 O ARG A 5 -17.692 -7.208 5.235 1.00 0.00 O ATOM 34 CB ARG A 5 -18.548 -10.006 4.284 1.00 0.00 C ATOM 35 CG ARG A 5 -17.811 -10.944 5.286 1.00 0.00 C ATOM 36 CD ARG A 5 -16.270 -10.878 5.284 1.00 0.00 C ATOM 37 NE ARG A 5 -15.772 -9.552 5.741 1.00 0.00 N ATOM 38 CZ ARG A 5 -14.694 -9.337 6.485 1.00 0.00 C ATOM 39 NH1 ARG A 5 -13.945 -10.280 6.985 1.00 0.00 N ATOM 40 NH2 ARG A 5 -14.368 -8.109 6.739 1.00 0.00 N ATOM 0 H ARG A 5 -21.373 -8.353 4.278 1.00 0.00 H new ATOM 0 HA ARG A 5 -20.064 -9.413 5.676 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -19.167 -10.618 3.628 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -17.804 -9.518 3.655 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -18.161 -10.711 6.292 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -18.109 -11.971 5.074 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -15.872 -11.659 5.932 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.899 -11.079 4.279 1.00 0.00 H new ATOM 0 HE ARG A 5 -16.309 -8.733 5.456 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -14.174 -11.259 6.812 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.130 -10.039 7.549 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -14.934 -7.344 6.370 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -13.546 -7.907 7.308 1.00 0.00 H new ATOM 41 N GLY A 6 -18.965 -7.678 7.029 1.00 0.00 N ATOM 42 CA GLY A 6 -18.198 -6.806 7.969 1.00 0.00 C ATOM 43 C GLY A 6 -17.771 -7.514 9.268 1.00 0.00 C ATOM 44 O GLY A 6 -18.257 -7.194 10.353 1.00 0.00 O ATOM 0 H GLY A 6 -19.769 -8.137 7.457 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -17.309 -6.434 7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -18.807 -5.938 8.223 1.00 0.00 H new ATOM 45 N ILE A 7 -16.843 -8.462 9.139 1.00 0.00 N ATOM 46 CA ILE A 7 -16.332 -9.289 10.278 1.00 0.00 C ATOM 47 C ILE A 7 -14.840 -8.878 10.539 1.00 0.00 C ATOM 48 O ILE A 7 -13.900 -9.550 10.114 1.00 0.00 O ATOM 49 CB ILE A 7 -16.552 -10.822 9.975 1.00 0.00 C ATOM 50 CG1 ILE A 7 -18.025 -11.237 9.656 1.00 0.00 C ATOM 51 CG2 ILE A 7 -16.037 -11.731 11.125 1.00 0.00 C ATOM 52 CD1 ILE A 7 -19.100 -10.918 10.716 1.00 0.00 C ATOM 0 H ILE A 7 -16.410 -8.694 8.245 1.00 0.00 H new ATOM 0 HA ILE A 7 -16.883 -9.105 11.200 1.00 0.00 H new ATOM 0 HB ILE A 7 -15.965 -10.972 9.069 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -18.317 -10.752 8.724 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -18.040 -12.312 9.474 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -16.211 -12.776 10.869 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -14.969 -11.566 11.269 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -16.569 -11.490 12.045 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -20.072 -11.261 10.363 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -18.853 -11.426 11.649 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -19.135 -9.842 10.887 1.00 0.00 H new ATOM 53 N ILE A 8 -14.649 -7.754 11.256 1.00 0.00 N ATOM 54 CA ILE A 8 -13.312 -7.162 11.616 1.00 0.00 C ATOM 55 C ILE A 8 -12.305 -6.985 10.411 1.00 0.00 C ATOM 56 O ILE A 8 -12.430 -5.998 9.678 1.00 0.00 O ATOM 57 CB ILE A 8 -12.721 -7.737 12.977 1.00 0.00 C ATOM 58 CG1 ILE A 8 -12.737 -9.279 13.242 1.00 0.00 C ATOM 59 CG2 ILE A 8 -13.463 -7.078 14.173 1.00 0.00 C ATOM 60 CD1 ILE A 8 -11.686 -10.127 12.508 1.00 0.00 C ATOM 0 H ILE A 8 -15.429 -7.206 11.618 1.00 0.00 H new ATOM 0 HA ILE A 8 -13.508 -6.117 11.854 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.664 -7.491 12.874 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.613 -9.439 14.313 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.724 -9.658 12.975 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.063 -7.468 15.109 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -13.320 -5.998 14.139 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -14.527 -7.305 14.111 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -11.809 -11.175 12.781 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -11.815 -10.015 11.432 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.687 -9.793 12.790 1.00 0.00 H new ATOM 61 N ILE A 9 -11.310 -7.863 10.209 1.00 0.00 N ATOM 62 CA ILE A 9 -10.299 -7.741 9.110 1.00 0.00 C ATOM 63 C ILE A 9 -10.397 -8.915 8.063 1.00 0.00 C ATOM 64 O ILE A 9 -11.178 -9.862 8.187 1.00 0.00 O ATOM 65 CB ILE A 9 -8.851 -7.554 9.719 1.00 0.00 C ATOM 66 CG1 ILE A 9 -8.304 -8.784 10.506 1.00 0.00 C ATOM 67 CG2 ILE A 9 -8.768 -6.284 10.600 1.00 0.00 C ATOM 68 CD1 ILE A 9 -6.773 -8.783 10.671 1.00 0.00 C ATOM 0 H ILE A 9 -11.171 -8.685 10.797 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.525 -6.843 8.534 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.205 -7.445 8.848 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.767 -8.808 11.493 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.604 -9.696 9.991 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -7.760 -6.186 11.003 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.005 -5.407 9.998 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.480 -6.364 11.421 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.467 -9.668 11.228 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.301 -8.791 9.688 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.466 -7.889 11.213 1.00 0.00 H new ATOM 69 N ASN A 10 -9.554 -8.827 7.022 1.00 0.00 N ATOM 70 CA ASN A 10 -9.466 -9.771 5.865 1.00 0.00 C ATOM 71 C ASN A 10 -10.579 -9.479 4.777 1.00 0.00 C ATOM 72 O ASN A 10 -11.605 -10.152 4.680 1.00 0.00 O ATOM 73 CB ASN A 10 -9.206 -11.252 6.331 1.00 0.00 C ATOM 74 CG ASN A 10 -10.213 -12.360 6.048 1.00 0.00 C ATOM 75 OD1 ASN A 10 -10.114 -13.102 5.078 1.00 0.00 O ATOM 76 ND2 ASN A 10 -11.191 -12.528 6.889 1.00 0.00 N ATOM 0 H ASN A 10 -8.879 -8.066 6.948 1.00 0.00 H new ATOM 0 HA ASN A 10 -8.562 -9.581 5.286 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.259 -11.563 5.889 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.059 -11.224 7.411 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.870 -13.274 6.739 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -11.279 -11.914 7.698 1.00 0.00 H new ATOM 77 N LEU A 11 -10.328 -8.474 3.914 1.00 0.00 N ATOM 78 CA LEU A 11 -11.194 -8.148 2.742 1.00 0.00 C ATOM 79 C LEU A 11 -10.354 -7.991 1.421 1.00 0.00 C ATOM 80 O LEU A 11 -9.138 -7.778 1.419 1.00 0.00 O ATOM 81 CB LEU A 11 -12.135 -6.957 3.088 1.00 0.00 C ATOM 82 CG LEU A 11 -11.498 -5.544 3.213 1.00 0.00 C ATOM 83 CD1 LEU A 11 -12.034 -4.568 2.160 1.00 0.00 C ATOM 84 CD2 LEU A 11 -11.715 -4.945 4.611 1.00 0.00 C ATOM 0 H LEU A 11 -9.519 -7.859 4.003 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.855 -8.987 2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.910 -6.909 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.632 -7.185 4.031 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.430 -5.684 3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.558 -3.596 2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.813 -4.950 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.113 -4.463 2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.256 -3.958 4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.784 -4.858 4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.260 -5.594 5.359 1.00 0.00 H new ATOM 85 N ASP A 12 -11.013 -8.131 0.264 1.00 0.00 N ATOM 86 CA ASP A 12 -10.318 -8.137 -1.061 1.00 0.00 C ATOM 87 C ASP A 12 -9.957 -6.712 -1.612 1.00 0.00 C ATOM 88 O ASP A 12 -10.463 -5.686 -1.143 1.00 0.00 O ATOM 89 CB ASP A 12 -11.241 -8.920 -2.033 1.00 0.00 C ATOM 90 CG ASP A 12 -11.257 -10.440 -1.872 1.00 0.00 C ATOM 91 OD1 ASP A 12 -11.901 -10.838 -0.740 1.00 0.00 O ATOM 92 OD2 ASP A 12 -10.740 -11.203 -2.679 1.00 0.00 O ATOM 0 H ASP A 12 -12.025 -8.242 0.202 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.344 -8.615 -0.953 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.259 -8.552 -1.909 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.939 -8.687 -3.054 1.00 0.00 H new ATOM 93 N GLU A 13 -9.075 -6.659 -2.631 1.00 0.00 N ATOM 94 CA GLU A 13 -8.633 -5.368 -3.236 1.00 0.00 C ATOM 95 C GLU A 13 -9.750 -4.770 -4.170 1.00 0.00 C ATOM 96 O GLU A 13 -10.223 -5.422 -5.105 1.00 0.00 O ATOM 97 CB GLU A 13 -7.196 -5.532 -3.830 1.00 0.00 C ATOM 98 CG GLU A 13 -6.943 -5.472 -5.358 1.00 0.00 C ATOM 99 CD GLU A 13 -7.195 -6.775 -6.114 1.00 0.00 C ATOM 100 OE1 GLU A 13 -8.519 -7.006 -6.347 1.00 0.00 O ATOM 101 OE2 GLU A 13 -6.291 -7.523 -6.470 1.00 0.00 O ATOM 0 H GLU A 13 -8.652 -7.484 -3.056 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.518 -4.587 -2.484 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.574 -4.761 -3.375 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.817 -6.493 -3.483 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.578 -4.695 -5.784 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.910 -5.167 -5.527 1.00 0.00 H new ATOM 102 N GLY A 14 -10.163 -3.531 -3.884 1.00 0.00 N ATOM 103 CA GLY A 14 -11.307 -2.853 -4.568 1.00 0.00 C ATOM 104 C GLY A 14 -12.405 -2.217 -3.666 1.00 0.00 C ATOM 105 O GLY A 14 -13.373 -1.686 -4.210 1.00 0.00 O ATOM 0 H GLY A 14 -9.721 -2.953 -3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.901 -2.069 -5.207 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.788 -3.581 -5.222 1.00 0.00 H new ATOM 106 N GLU A 15 -12.275 -2.250 -2.326 1.00 0.00 N ATOM 107 CA GLU A 15 -13.259 -1.658 -1.372 1.00 0.00 C ATOM 108 C GLU A 15 -12.599 -0.578 -0.440 1.00 0.00 C ATOM 109 O GLU A 15 -11.392 -0.587 -0.175 1.00 0.00 O ATOM 110 CB GLU A 15 -13.874 -2.821 -0.539 1.00 0.00 C ATOM 111 CG GLU A 15 -14.716 -3.880 -1.300 1.00 0.00 C ATOM 112 CD GLU A 15 -15.967 -3.364 -2.015 1.00 0.00 C ATOM 113 OE1 GLU A 15 -16.678 -2.455 -1.600 1.00 0.00 O ATOM 114 OE2 GLU A 15 -16.209 -4.037 -3.171 1.00 0.00 O ATOM 0 H GLU A 15 -11.481 -2.690 -1.862 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.038 -1.138 -1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.060 -3.339 -0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.504 -2.384 0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.074 -4.362 -2.038 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -15.020 -4.650 -0.591 1.00 0.00 H new ATOM 115 N LEU A 16 -13.419 0.352 0.074 1.00 0.00 N ATOM 116 CA LEU A 16 -12.951 1.517 0.890 1.00 0.00 C ATOM 117 C LEU A 16 -12.443 1.131 2.328 1.00 0.00 C ATOM 118 O LEU A 16 -13.047 0.307 3.023 1.00 0.00 O ATOM 119 CB LEU A 16 -14.140 2.525 0.877 1.00 0.00 C ATOM 120 CG LEU A 16 -13.844 3.975 1.355 1.00 0.00 C ATOM 121 CD1 LEU A 16 -14.753 4.986 0.632 1.00 0.00 C ATOM 122 CD2 LEU A 16 -14.051 4.149 2.871 1.00 0.00 C ATOM 0 H LEU A 16 -14.430 0.330 -0.057 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.055 1.966 0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.529 2.577 -0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.935 2.118 1.502 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.797 4.161 1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -14.528 5.993 0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -14.579 4.928 -0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -15.797 4.753 0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.831 5.179 3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -15.085 3.916 3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.384 3.476 3.409 1.00 0.00 H new ATOM 123 N CYS A 17 -11.321 1.737 2.764 1.00 0.00 N ATOM 124 CA CYS A 17 -10.655 1.396 4.053 1.00 0.00 C ATOM 125 C CYS A 17 -10.412 2.604 5.028 1.00 0.00 C ATOM 126 O CYS A 17 -10.628 3.778 4.710 1.00 0.00 O ATOM 127 CB CYS A 17 -9.274 0.800 3.639 1.00 0.00 C ATOM 128 SG CYS A 17 -8.050 2.137 3.498 1.00 0.00 S ATOM 0 H CYS A 17 -10.847 2.474 2.241 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.305 0.722 4.611 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.946 0.069 4.378 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.364 0.274 2.689 1.00 0.00 H new ATOM 129 N LEU A 18 -9.880 2.273 6.216 1.00 0.00 N ATOM 130 CA LEU A 18 -9.370 3.261 7.202 1.00 0.00 C ATOM 131 C LEU A 18 -7.806 3.061 7.187 1.00 0.00 C ATOM 132 O LEU A 18 -7.091 3.924 6.682 1.00 0.00 O ATOM 133 CB LEU A 18 -10.050 3.122 8.597 1.00 0.00 C ATOM 134 CG LEU A 18 -11.554 3.500 8.677 1.00 0.00 C ATOM 135 CD1 LEU A 18 -12.477 2.296 8.418 1.00 0.00 C ATOM 136 CD2 LEU A 18 -11.901 4.089 10.055 1.00 0.00 C ATOM 0 H LEU A 18 -9.788 1.307 6.529 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.618 4.290 6.942 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.940 2.089 8.928 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.504 3.744 9.306 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.719 4.242 7.896 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.517 2.614 8.485 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.283 1.897 7.422 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.285 1.523 9.162 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.960 4.345 10.085 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.684 3.354 10.830 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.306 4.986 10.228 1.00 0.00 H new ATOM 137 N ASN A 19 -7.263 1.995 7.808 1.00 0.00 N ATOM 138 CA ASN A 19 -5.815 1.613 7.735 1.00 0.00 C ATOM 139 C ASN A 19 -5.476 0.515 6.645 1.00 0.00 C ATOM 140 O ASN A 19 -6.355 0.009 5.942 1.00 0.00 O ATOM 141 CB ASN A 19 -5.396 1.252 9.198 1.00 0.00 C ATOM 142 CG ASN A 19 -6.034 0.004 9.820 1.00 0.00 C ATOM 143 OD1 ASN A 19 -5.608 -1.117 9.587 1.00 0.00 O ATOM 144 ND2 ASN A 19 -7.073 0.139 10.599 1.00 0.00 N ATOM 0 H ASN A 19 -7.814 1.359 8.385 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.214 2.445 7.367 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.314 1.124 9.218 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.628 2.104 9.836 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.517 -0.685 11.004 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.440 1.069 10.803 1.00 0.00 H new ATOM 145 N SER A 20 -4.192 0.101 6.542 1.00 0.00 N ATOM 146 CA SER A 20 -3.762 -1.023 5.637 1.00 0.00 C ATOM 147 C SER A 20 -3.847 -2.472 6.228 1.00 0.00 C ATOM 148 O SER A 20 -3.890 -3.435 5.457 1.00 0.00 O ATOM 149 CB SER A 20 -2.316 -0.773 5.161 1.00 0.00 C ATOM 150 OG SER A 20 -2.228 0.370 4.313 1.00 0.00 O ATOM 0 H SER A 20 -3.426 0.520 7.069 1.00 0.00 H new ATOM 0 HA SER A 20 -4.488 -1.003 4.824 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.667 -0.635 6.026 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.952 -1.651 4.627 1.00 0.00 H new ATOM 0 HG SER A 20 -1.720 1.075 4.766 1.00 0.00 H new ATOM 151 N ALA A 21 -3.900 -2.650 7.559 1.00 0.00 N ATOM 152 CA ALA A 21 -4.094 -3.990 8.195 1.00 0.00 C ATOM 153 C ALA A 21 -5.553 -4.592 8.198 1.00 0.00 C ATOM 154 O ALA A 21 -5.828 -5.596 8.857 1.00 0.00 O ATOM 155 CB ALA A 21 -3.573 -3.775 9.624 1.00 0.00 C ATOM 0 H ALA A 21 -3.812 -1.886 8.229 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.568 -4.745 7.610 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.667 -4.702 10.189 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.525 -3.477 9.588 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.156 -2.993 10.110 1.00 0.00 H new ATOM 156 N GLN A 22 -6.455 -4.016 7.396 1.00 0.00 N ATOM 157 CA GLN A 22 -7.847 -4.498 7.201 1.00 0.00 C ATOM 158 C GLN A 22 -8.052 -5.431 5.958 1.00 0.00 C ATOM 159 O GLN A 22 -8.977 -6.242 5.981 1.00 0.00 O ATOM 160 CB GLN A 22 -8.744 -3.237 7.076 1.00 0.00 C ATOM 161 CG GLN A 22 -9.005 -2.474 8.401 1.00 0.00 C ATOM 162 CD GLN A 22 -9.856 -1.221 8.224 1.00 0.00 C ATOM 163 OE1 GLN A 22 -9.355 -0.131 7.982 1.00 0.00 O ATOM 164 NE2 GLN A 22 -11.155 -1.321 8.329 1.00 0.00 N ATOM 0 H GLN A 22 -6.243 -3.183 6.848 1.00 0.00 H new ATOM 0 HA GLN A 22 -8.110 -5.121 8.056 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.281 -2.551 6.366 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.703 -3.534 6.652 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.500 -3.143 9.105 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.049 -2.195 8.845 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.582 -2.225 8.530 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.741 -0.495 8.209 1.00 0.00 H new ATOM 165 N CYS A 23 -7.251 -5.335 4.885 1.00 0.00 N ATOM 166 CA CYS A 23 -7.363 -6.222 3.707 1.00 0.00 C ATOM 167 C CYS A 23 -6.680 -7.633 3.904 1.00 0.00 C ATOM 168 O CYS A 23 -5.896 -7.849 4.832 1.00 0.00 O ATOM 169 CB CYS A 23 -6.705 -5.455 2.536 1.00 0.00 C ATOM 170 SG CYS A 23 -6.876 -3.640 2.557 1.00 0.00 S ATOM 0 H CYS A 23 -6.507 -4.642 4.806 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.413 -6.450 3.522 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.642 -5.698 2.523 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.129 -5.827 1.603 1.00 0.00 H new ATOM 171 N LYS A 24 -6.959 -8.598 3.009 1.00 0.00 N ATOM 172 CA LYS A 24 -6.258 -9.927 2.965 1.00 0.00 C ATOM 173 C LYS A 24 -4.768 -9.686 2.534 1.00 0.00 C ATOM 174 O LYS A 24 -3.836 -9.990 3.281 1.00 0.00 O ATOM 175 CB LYS A 24 -7.058 -10.868 2.021 1.00 0.00 C ATOM 176 CG LYS A 24 -8.381 -11.422 2.595 1.00 0.00 C ATOM 177 CD LYS A 24 -9.499 -11.662 1.560 1.00 0.00 C ATOM 178 CE LYS A 24 -9.353 -12.924 0.693 1.00 0.00 C ATOM 179 NZ LYS A 24 -9.689 -14.132 1.473 1.00 0.00 N ATOM 0 H LYS A 24 -7.674 -8.494 2.289 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.222 -10.420 3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.280 -10.327 1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.420 -11.709 1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.171 -12.363 3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.750 -10.727 3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.451 -11.716 2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.549 -10.796 0.901 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.007 -12.852 -0.176 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.332 -12.999 0.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.585 -14.974 0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.048 -14.208 2.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.671 -14.066 1.809 1.00 0.00 H new ATOM 180 N SER A 25 -4.556 -9.108 1.335 1.00 0.00 N ATOM 181 CA SER A 25 -3.228 -8.599 0.907 1.00 0.00 C ATOM 182 C SER A 25 -3.167 -7.178 1.571 1.00 0.00 C ATOM 183 O SER A 25 -3.754 -6.227 1.044 1.00 0.00 O ATOM 184 CB SER A 25 -3.131 -8.590 -0.639 1.00 0.00 C ATOM 185 OG SER A 25 -4.099 -7.730 -1.253 1.00 0.00 O ATOM 0 H SER A 25 -5.290 -8.979 0.638 1.00 0.00 H new ATOM 0 HA SER A 25 -2.378 -9.208 1.215 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.131 -8.272 -0.934 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.265 -9.605 -1.012 1.00 0.00 H new ATOM 0 HG SER A 25 -4.265 -6.958 -0.673 1.00 0.00 H new ATOM 186 N ASN A 26 -2.465 -7.049 2.710 1.00 0.00 N ATOM 187 CA ASN A 26 -2.472 -5.815 3.560 1.00 0.00 C ATOM 188 C ASN A 26 -1.785 -4.542 2.943 1.00 0.00 C ATOM 189 O ASN A 26 -0.669 -4.114 3.253 1.00 0.00 O ATOM 190 CB ASN A 26 -1.895 -6.228 4.951 1.00 0.00 C ATOM 191 CG ASN A 26 -0.485 -6.833 5.045 1.00 0.00 C ATOM 192 OD1 ASN A 26 -0.296 -8.041 5.085 1.00 0.00 O ATOM 193 ND2 ASN A 26 0.547 -6.035 5.083 1.00 0.00 N ATOM 0 H ASN A 26 -1.871 -7.791 3.080 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.500 -5.462 3.647 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.911 -5.342 5.586 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.587 -6.947 5.389 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.489 -6.422 5.145 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.412 -5.025 5.051 1.00 0.00 H new ATOM 194 N CYS A 27 -2.584 -3.925 2.074 1.00 0.00 N ATOM 195 CA CYS A 27 -2.202 -2.772 1.235 1.00 0.00 C ATOM 196 C CYS A 27 -3.420 -1.829 1.033 1.00 0.00 C ATOM 197 O CYS A 27 -4.254 -2.073 0.153 1.00 0.00 O ATOM 198 CB CYS A 27 -1.720 -3.351 -0.124 1.00 0.00 C ATOM 199 SG CYS A 27 -1.711 -2.123 -1.465 1.00 0.00 S ATOM 0 H CYS A 27 -3.549 -4.218 1.924 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.414 -2.184 1.705 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.715 -3.755 -0.003 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.366 -4.183 -0.406 1.00 0.00 H new ATOM 200 N CYS A 28 -3.563 -0.762 1.838 1.00 0.00 N ATOM 201 CA CYS A 28 -4.602 0.258 1.562 1.00 0.00 C ATOM 202 C CYS A 28 -3.929 1.383 0.727 1.00 0.00 C ATOM 203 O CYS A 28 -2.942 2.007 1.135 1.00 0.00 O ATOM 204 CB CYS A 28 -5.305 0.846 2.788 1.00 0.00 C ATOM 205 SG CYS A 28 -6.693 1.772 2.104 1.00 0.00 S ATOM 0 H CYS A 28 -2.992 -0.581 2.664 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.407 -0.243 1.025 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.645 0.063 3.466 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.637 1.493 3.357 1.00 0.00 H new ATOM 206 N GLN A 29 -4.505 1.653 -0.444 1.00 0.00 N ATOM 207 CA GLN A 29 -4.077 2.763 -1.317 1.00 0.00 C ATOM 208 C GLN A 29 -4.590 4.115 -0.763 1.00 0.00 C ATOM 209 O GLN A 29 -5.606 4.212 -0.091 1.00 0.00 O ATOM 210 CB GLN A 29 -4.613 2.426 -2.738 1.00 0.00 C ATOM 211 CG GLN A 29 -4.192 3.259 -3.974 1.00 0.00 C ATOM 212 CD GLN A 29 -2.685 3.380 -4.168 1.00 0.00 C ATOM 213 OE1 GLN A 29 -1.989 2.544 -4.728 1.00 0.00 O ATOM 214 NE2 GLN A 29 -2.169 4.401 -3.563 1.00 0.00 N ATOM 0 H GLN A 29 -5.283 1.112 -0.821 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.993 2.870 -1.357 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.340 1.391 -2.944 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.701 2.464 -2.685 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.626 2.807 -4.866 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.616 4.259 -3.885 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.775 5.082 -3.105 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.157 4.525 -3.545 1.00 0.00 H new ATOM 215 N HIS A 30 -3.795 5.127 -1.037 1.00 0.00 N ATOM 216 CA HIS A 30 -3.907 6.485 -0.490 1.00 0.00 C ATOM 217 C HIS A 30 -5.088 7.516 -0.627 1.00 0.00 C ATOM 218 O HIS A 30 -6.013 7.420 -1.422 1.00 0.00 O ATOM 219 CB HIS A 30 -2.576 7.069 -1.048 1.00 0.00 C ATOM 220 CG HIS A 30 -1.857 7.946 -0.060 1.00 0.00 C ATOM 221 ND1 HIS A 30 -1.449 9.178 -0.457 1.00 0.00 N ATOM 222 CD2 HIS A 30 -1.761 7.800 1.336 1.00 0.00 C ATOM 223 CE1 HIS A 30 -1.151 9.696 0.750 1.00 0.00 C ATOM 224 NE2 HIS A 30 -1.402 8.999 1.896 1.00 0.00 N ATOM 0 H HIS A 30 -3.009 5.032 -1.680 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.140 6.349 0.566 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.921 6.249 -1.341 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.788 7.645 -1.949 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.942 6.886 1.882 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -0.706 10.678 0.812 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -1.341 9.284 2.874 1.00 0.00 H new ATOM 225 N ASP A 31 -5.068 8.385 0.400 1.00 0.00 N ATOM 226 CA ASP A 31 -5.898 9.607 0.626 1.00 0.00 C ATOM 227 C ASP A 31 -5.285 11.027 0.315 1.00 0.00 C ATOM 228 O ASP A 31 -6.041 11.960 0.045 1.00 0.00 O ATOM 229 CB ASP A 31 -6.355 9.600 2.116 1.00 0.00 C ATOM 230 CG ASP A 31 -5.301 9.388 3.208 1.00 0.00 C ATOM 231 OD1 ASP A 31 -4.533 10.266 3.591 1.00 0.00 O ATOM 232 OD2 ASP A 31 -5.286 8.100 3.652 1.00 0.00 O ATOM 0 H ASP A 31 -4.414 8.247 1.170 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.692 9.512 -0.115 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -6.850 10.551 2.314 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.108 8.820 2.227 1.00 0.00 H new ATOM 233 N THR A 32 -3.975 11.251 0.527 1.00 0.00 N ATOM 234 CA THR A 32 -3.338 12.609 0.416 1.00 0.00 C ATOM 235 C THR A 32 -2.824 12.949 -1.021 1.00 0.00 C ATOM 236 O THR A 32 -3.212 13.990 -1.554 1.00 0.00 O ATOM 237 CB THR A 32 -2.255 12.851 1.535 1.00 0.00 C ATOM 238 OG1 THR A 32 -2.312 11.914 2.612 1.00 0.00 O ATOM 239 CG2 THR A 32 -2.415 14.210 2.216 1.00 0.00 C ATOM 0 H THR A 32 -3.318 10.512 0.779 1.00 0.00 H new ATOM 0 HA THR A 32 -4.138 13.327 0.598 1.00 0.00 H new ATOM 0 HB THR A 32 -1.319 12.761 0.984 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.242 11.644 2.762 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.645 14.328 2.979 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.315 15.003 1.474 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.399 14.270 2.681 1.00 0.00 H new ATOM 240 N ILE A 33 -1.957 12.128 -1.650 1.00 0.00 N ATOM 241 CA ILE A 33 -1.546 12.343 -3.081 1.00 0.00 C ATOM 242 C ILE A 33 -2.684 11.875 -4.070 1.00 0.00 C ATOM 243 O ILE A 33 -3.099 12.633 -4.949 1.00 0.00 O ATOM 244 CB ILE A 33 -0.125 11.761 -3.416 1.00 0.00 C ATOM 245 CG1 ILE A 33 0.136 10.266 -3.082 1.00 0.00 C ATOM 246 CG2 ILE A 33 0.974 12.654 -2.787 1.00 0.00 C ATOM 247 CD1 ILE A 33 1.232 9.591 -3.927 1.00 0.00 C ATOM 0 H ILE A 33 -1.525 11.316 -1.209 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.427 13.416 -3.229 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.090 11.781 -4.505 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.409 10.187 -2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.794 9.713 -3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.956 12.244 -3.024 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.896 13.664 -3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.844 12.683 -1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.340 8.551 -3.619 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.956 9.631 -4.981 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.178 10.113 -3.780 1.00 0.00 H new ATOM 248 N LEU A 34 -3.176 10.632 -3.932 1.00 0.00 N ATOM 249 CA LEU A 34 -4.369 10.113 -4.658 1.00 0.00 C ATOM 250 C LEU A 34 -5.539 10.326 -3.640 1.00 0.00 C ATOM 251 O LEU A 34 -5.484 9.763 -2.547 1.00 0.00 O ATOM 252 CB LEU A 34 -4.064 8.634 -5.035 1.00 0.00 C ATOM 253 CG LEU A 34 -5.094 7.877 -5.915 1.00 0.00 C ATOM 254 CD1 LEU A 34 -4.435 6.627 -6.525 1.00 0.00 C ATOM 255 CD2 LEU A 34 -6.341 7.422 -5.134 1.00 0.00 C ATOM 0 H LEU A 34 -2.757 9.943 -3.307 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.630 10.601 -5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.104 8.613 -5.552 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.940 8.073 -4.109 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.414 8.580 -6.684 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.161 6.098 -7.142 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.586 6.926 -7.139 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.091 5.970 -5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.021 6.899 -5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.041 6.752 -4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.845 8.292 -4.713 1.00 0.00 H new ATOM 256 N SER A 35 -6.585 11.120 -3.924 1.00 0.00 N ATOM 257 CA SER A 35 -7.612 11.447 -2.882 1.00 0.00 C ATOM 258 C SER A 35 -8.880 10.524 -2.754 1.00 0.00 C ATOM 259 O SER A 35 -10.020 10.983 -2.875 1.00 0.00 O ATOM 260 CB SER A 35 -7.952 12.943 -3.086 1.00 0.00 C ATOM 261 OG SER A 35 -8.767 13.157 -4.242 1.00 0.00 O ATOM 0 H SER A 35 -6.753 11.544 -4.836 1.00 0.00 H new ATOM 0 HA SER A 35 -7.168 11.236 -1.909 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.469 13.320 -2.204 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.029 13.514 -3.183 1.00 0.00 H new ATOM 0 HG SER A 35 -9.574 12.604 -4.180 1.00 0.00 H new ATOM 262 N LEU A 36 -8.675 9.235 -2.434 1.00 0.00 N ATOM 263 CA LEU A 36 -9.760 8.242 -2.149 1.00 0.00 C ATOM 264 C LEU A 36 -9.044 6.939 -1.672 1.00 0.00 C ATOM 265 O LEU A 36 -8.429 6.262 -2.507 1.00 0.00 O ATOM 266 CB LEU A 36 -10.679 7.970 -3.386 1.00 0.00 C ATOM 267 CG LEU A 36 -11.857 6.976 -3.184 1.00 0.00 C ATOM 268 CD1 LEU A 36 -12.914 7.503 -2.198 1.00 0.00 C ATOM 269 CD2 LEU A 36 -12.536 6.677 -4.529 1.00 0.00 C ATOM 0 H LEU A 36 -7.740 8.833 -2.361 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.433 8.633 -1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.092 8.923 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.054 7.595 -4.196 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.428 6.067 -2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.713 6.769 -2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.451 7.675 -1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.327 8.439 -2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.359 5.980 -4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.920 7.603 -4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.811 6.236 -5.213 1.00 0.00 H new ATOM 270 N SER A 37 -9.134 6.523 -0.383 1.00 0.00 N ATOM 271 CA SER A 37 -8.335 5.347 0.081 1.00 0.00 C ATOM 272 C SER A 37 -9.131 4.007 -0.076 1.00 0.00 C ATOM 273 O SER A 37 -10.222 3.805 0.467 1.00 0.00 O ATOM 274 CB SER A 37 -7.784 5.483 1.524 1.00 0.00 C ATOM 275 OG SER A 37 -6.973 6.634 1.663 1.00 0.00 O ATOM 0 H SER A 37 -9.721 6.957 0.329 1.00 0.00 H new ATOM 0 HA SER A 37 -7.466 5.323 -0.577 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.614 5.534 2.228 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.205 4.595 1.779 1.00 0.00 H new ATOM 0 HG SER A 37 -6.655 6.701 2.588 1.00 0.00 H new ATOM 276 N ARG A 38 -8.525 3.093 -0.842 1.00 0.00 N ATOM 277 CA ARG A 38 -9.145 1.801 -1.266 1.00 0.00 C ATOM 278 C ARG A 38 -8.136 0.608 -1.136 1.00 0.00 C ATOM 279 O ARG A 38 -6.946 0.815 -1.372 1.00 0.00 O ATOM 280 CB ARG A 38 -9.547 2.027 -2.765 1.00 0.00 C ATOM 281 CG ARG A 38 -10.801 1.275 -3.262 1.00 0.00 C ATOM 282 CD ARG A 38 -12.096 2.064 -2.998 1.00 0.00 C ATOM 283 NE ARG A 38 -13.260 1.293 -3.493 1.00 0.00 N ATOM 284 CZ ARG A 38 -14.523 1.689 -3.431 1.00 0.00 C ATOM 285 NH1 ARG A 38 -14.911 2.841 -2.947 1.00 0.00 N ATOM 286 NH2 ARG A 38 -15.428 0.878 -3.881 1.00 0.00 N ATOM 0 H ARG A 38 -7.577 3.217 -1.198 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.997 1.538 -0.640 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.706 3.094 -2.919 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.704 1.737 -3.392 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.707 1.082 -4.331 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.861 0.306 -2.767 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.204 2.259 -1.931 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.051 3.033 -3.496 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.074 0.384 -3.916 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.222 3.501 -2.586 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.903 3.080 -2.931 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.156 -0.027 -4.265 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -16.412 1.145 -3.852 1.00 0.00 H new ATOM 287 N CYS A 39 -8.517 -0.649 -0.825 1.00 0.00 N ATOM 288 CA CYS A 39 -7.532 -1.780 -0.842 1.00 0.00 C ATOM 289 C CYS A 39 -7.003 -2.057 -2.297 1.00 0.00 C ATOM 290 O CYS A 39 -7.740 -2.097 -3.285 1.00 0.00 O ATOM 291 CB CYS A 39 -8.087 -3.075 -0.226 1.00 0.00 C ATOM 292 SG CYS A 39 -8.472 -3.000 1.531 1.00 0.00 S ATOM 0 H CYS A 39 -9.467 -0.914 -0.565 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.700 -1.457 -0.216 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.992 -3.354 -0.766 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.361 -3.872 -0.387 1.00 0.00 H new ATOM 293 N ALA A 40 -5.690 -2.245 -2.378 1.00 0.00 N ATOM 294 CA ALA A 40 -4.934 -2.375 -3.646 1.00 0.00 C ATOM 295 C ALA A 40 -3.904 -3.554 -3.681 1.00 0.00 C ATOM 296 O ALA A 40 -3.803 -4.382 -2.771 1.00 0.00 O ATOM 297 CB ALA A 40 -4.308 -0.967 -3.760 1.00 0.00 C ATOM 0 H ALA A 40 -5.096 -2.315 -1.552 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.554 -2.651 -4.499 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.707 -0.908 -4.668 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.100 -0.219 -3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.675 -0.779 -2.893 1.00 0.00 H new ATOM 298 N LEU A 41 -3.168 -3.636 -4.797 1.00 0.00 N ATOM 299 CA LEU A 41 -2.099 -4.648 -5.011 1.00 0.00 C ATOM 300 C LEU A 41 -0.670 -4.164 -4.565 1.00 0.00 C ATOM 301 O LEU A 41 -0.395 -2.971 -4.397 1.00 0.00 O ATOM 302 CB LEU A 41 -2.162 -5.075 -6.516 1.00 0.00 C ATOM 303 CG LEU A 41 -1.537 -4.169 -7.620 1.00 0.00 C ATOM 304 CD1 LEU A 41 -1.480 -4.932 -8.954 1.00 0.00 C ATOM 305 CD2 LEU A 41 -2.291 -2.847 -7.842 1.00 0.00 C ATOM 0 H LEU A 41 -3.290 -3.003 -5.588 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.279 -5.509 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.686 -6.052 -6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.214 -5.212 -6.768 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.538 -3.914 -7.265 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.042 -4.293 -9.720 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.869 -5.827 -8.836 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.488 -5.218 -9.253 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.796 -2.273 -8.625 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.317 -3.059 -8.142 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.295 -2.271 -6.917 1.00 0.00 H new ATOM 306 N LYS A 42 0.241 -5.128 -4.382 1.00 0.00 N ATOM 307 CA LYS A 42 1.679 -4.854 -4.084 1.00 0.00 C ATOM 308 C LYS A 42 2.508 -4.534 -5.381 1.00 0.00 C ATOM 309 O LYS A 42 2.180 -4.983 -6.485 1.00 0.00 O ATOM 310 CB LYS A 42 2.236 -6.090 -3.322 1.00 0.00 C ATOM 311 CG LYS A 42 1.785 -6.184 -1.847 1.00 0.00 C ATOM 312 CD LYS A 42 2.289 -7.456 -1.146 1.00 0.00 C ATOM 313 CE LYS A 42 1.739 -7.582 0.282 1.00 0.00 C ATOM 314 NZ LYS A 42 2.253 -8.826 0.888 1.00 0.00 N ATOM 0 H LYS A 42 0.017 -6.122 -4.433 1.00 0.00 H new ATOM 0 HA LYS A 42 1.768 -3.960 -3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.924 -6.995 -3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.325 -6.062 -3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.146 -5.310 -1.306 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.696 -6.158 -1.803 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.995 -8.331 -1.726 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.379 -7.446 -1.115 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.040 -6.721 0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.649 -7.594 0.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.885 -8.919 1.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.945 -9.642 0.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.292 -8.796 0.915 1.00 0.00 H new ATOM 315 N ALA A 43 3.599 -3.761 -5.246 1.00 0.00 N ATOM 316 CA ALA A 43 4.420 -3.323 -6.402 1.00 0.00 C ATOM 317 C ALA A 43 5.407 -4.400 -6.970 1.00 0.00 C ATOM 318 O ALA A 43 5.800 -5.365 -6.311 1.00 0.00 O ATOM 319 CB ALA A 43 5.166 -2.063 -5.917 1.00 0.00 C ATOM 0 H ALA A 43 3.939 -3.422 -4.346 1.00 0.00 H new ATOM 0 HA ALA A 43 3.768 -3.130 -7.254 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.795 -1.681 -6.721 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.443 -1.300 -5.629 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.788 -2.316 -5.058 1.00 0.00 H new ATOM 320 N ARG A 44 5.799 -4.180 -8.230 1.00 0.00 N ATOM 321 CA ARG A 44 6.727 -5.068 -8.989 1.00 0.00 C ATOM 322 C ARG A 44 8.041 -4.323 -9.402 1.00 0.00 C ATOM 323 O ARG A 44 8.200 -3.117 -9.196 1.00 0.00 O ATOM 324 CB ARG A 44 5.919 -5.671 -10.183 1.00 0.00 C ATOM 325 CG ARG A 44 5.365 -7.076 -9.859 1.00 0.00 C ATOM 326 CD ARG A 44 4.460 -7.642 -10.961 1.00 0.00 C ATOM 327 NE ARG A 44 4.154 -9.059 -10.644 1.00 0.00 N ATOM 328 CZ ARG A 44 3.377 -9.853 -11.370 1.00 0.00 C ATOM 329 NH1 ARG A 44 2.751 -9.479 -12.455 1.00 0.00 N ATOM 330 NH2 ARG A 44 3.230 -11.080 -10.977 1.00 0.00 N ATOM 0 H ARG A 44 5.484 -3.374 -8.770 1.00 0.00 H new ATOM 0 HA ARG A 44 7.086 -5.888 -8.368 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.093 -5.005 -10.434 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.561 -5.729 -11.062 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.199 -7.759 -9.697 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.804 -7.031 -8.926 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.539 -7.063 -11.029 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.954 -7.570 -11.930 1.00 0.00 H new ATOM 0 HE ARG A 44 4.574 -9.454 -9.802 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.844 -8.521 -12.793 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.169 -10.145 -12.963 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.704 -11.406 -10.135 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.640 -11.719 -11.510 1.00 0.00 H new ATOM 331 N GLU A 45 8.999 -5.064 -9.986 1.00 0.00 N ATOM 332 CA GLU A 45 10.367 -4.562 -10.306 1.00 0.00 C ATOM 333 C GLU A 45 10.458 -3.192 -11.058 1.00 0.00 C ATOM 334 O GLU A 45 9.738 -2.921 -12.020 1.00 0.00 O ATOM 335 CB GLU A 45 11.167 -5.664 -11.058 1.00 0.00 C ATOM 336 CG GLU A 45 12.710 -5.448 -11.014 1.00 0.00 C ATOM 337 CD GLU A 45 13.543 -6.697 -11.271 1.00 0.00 C ATOM 338 OE1 GLU A 45 13.711 -6.946 -12.597 1.00 0.00 O ATOM 339 OE2 GLU A 45 14.006 -7.402 -10.380 1.00 0.00 O ATOM 0 H GLU A 45 8.855 -6.037 -10.255 1.00 0.00 H new ATOM 0 HA GLU A 45 10.813 -4.342 -9.336 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.931 -6.635 -10.622 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.841 -5.693 -12.098 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.977 -4.693 -11.753 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.978 -5.046 -10.037 1.00 0.00 H new ATOM 340 N ASN A 46 11.364 -2.342 -10.548 1.00 0.00 N ATOM 341 CA ASN A 46 11.563 -0.927 -11.009 1.00 0.00 C ATOM 342 C ASN A 46 10.418 0.085 -10.615 1.00 0.00 C ATOM 343 O ASN A 46 10.421 1.217 -11.106 1.00 0.00 O ATOM 344 CB ASN A 46 11.962 -0.854 -12.520 1.00 0.00 C ATOM 345 CG ASN A 46 13.272 -1.547 -12.899 1.00 0.00 C ATOM 346 OD1 ASN A 46 13.310 -2.656 -13.412 1.00 0.00 O ATOM 347 ND2 ASN A 46 14.398 -0.920 -12.681 1.00 0.00 N ATOM 0 H ASN A 46 11.996 -2.607 -9.792 1.00 0.00 H new ATOM 0 HA ASN A 46 12.415 -0.568 -10.431 1.00 0.00 H new ATOM 0 HB2 ASN A 46 11.157 -1.293 -13.110 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.032 0.195 -12.807 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.283 -1.357 -12.938 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.392 0.006 -12.254 1.00 0.00 H new ATOM 348 N SER A 47 9.524 -0.252 -9.663 1.00 0.00 N ATOM 349 CA SER A 47 8.483 0.676 -9.147 1.00 0.00 C ATOM 350 C SER A 47 8.725 1.042 -7.649 1.00 0.00 C ATOM 351 O SER A 47 9.279 0.266 -6.862 1.00 0.00 O ATOM 352 CB SER A 47 7.106 0.000 -9.353 1.00 0.00 C ATOM 353 OG SER A 47 6.033 0.857 -8.951 1.00 0.00 O ATOM 0 H SER A 47 9.499 -1.174 -9.227 1.00 0.00 H new ATOM 0 HA SER A 47 8.522 1.618 -9.694 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.985 -0.268 -10.403 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.066 -0.927 -8.781 1.00 0.00 H new ATOM 0 HG SER A 47 5.178 0.401 -9.096 1.00 0.00 H new ATOM 354 N GLU A 48 8.253 2.233 -7.246 1.00 0.00 N ATOM 355 CA GLU A 48 8.295 2.698 -5.844 1.00 0.00 C ATOM 356 C GLU A 48 7.412 1.824 -4.888 1.00 0.00 C ATOM 357 O GLU A 48 6.274 1.441 -5.177 1.00 0.00 O ATOM 358 CB GLU A 48 7.846 4.186 -5.758 1.00 0.00 C ATOM 359 CG GLU A 48 8.944 5.234 -6.075 1.00 0.00 C ATOM 360 CD GLU A 48 8.605 6.650 -5.607 1.00 0.00 C ATOM 361 OE1 GLU A 48 8.574 6.744 -4.249 1.00 0.00 O ATOM 362 OE2 GLU A 48 8.396 7.598 -6.357 1.00 0.00 O ATOM 0 H GLU A 48 7.829 2.906 -7.884 1.00 0.00 H new ATOM 0 HA GLU A 48 9.328 2.600 -5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.015 4.337 -6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.467 4.375 -4.754 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.877 4.921 -5.606 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.117 5.250 -7.151 1.00 0.00 H new ATOM 363 N CYS A 49 8.012 1.550 -3.738 1.00 0.00 N ATOM 364 CA CYS A 49 7.441 0.698 -2.670 1.00 0.00 C ATOM 365 C CYS A 49 7.642 1.316 -1.250 1.00 0.00 C ATOM 366 O CYS A 49 8.694 1.878 -0.915 1.00 0.00 O ATOM 367 CB CYS A 49 8.106 -0.685 -2.815 1.00 0.00 C ATOM 368 SG CYS A 49 9.906 -0.589 -2.725 1.00 0.00 S ATOM 0 H CYS A 49 8.934 1.917 -3.503 1.00 0.00 H new ATOM 0 HA CYS A 49 6.360 0.614 -2.777 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.739 -1.347 -2.030 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.815 -1.128 -3.767 1.00 0.00 H new ATOM 369 N SER A 50 6.637 1.141 -0.377 1.00 0.00 N ATOM 370 CA SER A 50 6.692 1.612 1.035 1.00 0.00 C ATOM 371 C SER A 50 7.563 0.620 1.861 1.00 0.00 C ATOM 372 O SER A 50 7.118 -0.453 2.278 1.00 0.00 O ATOM 373 CB SER A 50 5.254 1.737 1.595 1.00 0.00 C ATOM 374 OG SER A 50 4.521 2.770 0.935 1.00 0.00 O ATOM 0 H SER A 50 5.764 0.673 -0.619 1.00 0.00 H new ATOM 0 HA SER A 50 7.151 2.598 1.098 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.733 0.787 1.476 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.296 1.946 2.664 1.00 0.00 H new ATOM 0 HG SER A 50 4.205 2.443 0.067 1.00 0.00 H new ATOM 375 N ALA A 51 8.826 1.007 2.078 1.00 0.00 N ATOM 376 CA ALA A 51 9.826 0.124 2.724 1.00 0.00 C ATOM 377 C ALA A 51 9.697 -0.052 4.276 1.00 0.00 C ATOM 378 O ALA A 51 9.750 -1.176 4.775 1.00 0.00 O ATOM 379 CB ALA A 51 11.179 0.750 2.331 1.00 0.00 C ATOM 0 H ALA A 51 9.187 1.925 1.818 1.00 0.00 H new ATOM 0 HA ALA A 51 9.687 -0.901 2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.990 0.165 2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.275 0.756 1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.229 1.772 2.706 1.00 0.00 H new ATOM 380 N PHE A 52 9.530 1.048 5.025 1.00 0.00 N ATOM 381 CA PHE A 52 9.314 1.021 6.504 1.00 0.00 C ATOM 382 C PHE A 52 7.870 0.676 7.003 1.00 0.00 C ATOM 383 O PHE A 52 7.687 -0.060 7.973 1.00 0.00 O ATOM 384 CB PHE A 52 9.863 2.369 7.080 1.00 0.00 C ATOM 385 CG PHE A 52 9.246 3.698 6.573 1.00 0.00 C ATOM 386 CD1 PHE A 52 8.109 4.234 7.187 1.00 0.00 C ATOM 387 CD2 PHE A 52 9.789 4.348 5.457 1.00 0.00 C ATOM 388 CE1 PHE A 52 7.508 5.382 6.676 1.00 0.00 C ATOM 389 CE2 PHE A 52 9.188 5.496 4.949 1.00 0.00 C ATOM 390 CZ PHE A 52 8.048 6.013 5.558 1.00 0.00 C ATOM 0 H PHE A 52 9.539 1.990 4.634 1.00 0.00 H new ATOM 0 HA PHE A 52 9.867 0.167 6.896 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.742 2.340 8.163 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.934 2.403 6.879 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.695 3.755 8.062 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.679 3.956 4.988 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.623 5.783 7.147 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.606 5.986 4.082 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.582 6.904 5.163 1.00 0.00 H new ATOM 391 N THR A 53 6.868 1.214 6.312 1.00 0.00 N ATOM 392 CA THR A 53 5.408 1.137 6.651 1.00 0.00 C ATOM 393 C THR A 53 5.036 1.735 8.057 1.00 0.00 C ATOM 394 O THR A 53 5.859 2.027 8.929 1.00 0.00 O ATOM 395 CB THR A 53 4.771 -0.292 6.473 1.00 0.00 C ATOM 396 OG1 THR A 53 5.429 -1.263 7.277 1.00 0.00 O ATOM 397 CG2 THR A 53 4.787 -0.807 5.030 1.00 0.00 C ATOM 0 H THR A 53 7.036 1.745 5.457 1.00 0.00 H new ATOM 0 HA THR A 53 4.958 1.783 5.897 1.00 0.00 H new ATOM 0 HB THR A 53 3.735 -0.160 6.784 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.093 -0.821 7.847 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.331 -1.796 4.992 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.225 -0.123 4.393 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.816 -0.868 4.677 1.00 0.00 H new ATOM 398 N LEU A 54 3.736 1.974 8.227 1.00 0.00 N ATOM 399 CA LEU A 54 3.143 2.400 9.517 1.00 0.00 C ATOM 400 C LEU A 54 1.889 1.512 9.817 1.00 0.00 C ATOM 401 O LEU A 54 1.615 0.484 9.187 1.00 0.00 O ATOM 402 CB LEU A 54 2.901 3.948 9.428 1.00 0.00 C ATOM 403 CG LEU A 54 1.652 4.451 8.631 1.00 0.00 C ATOM 404 CD1 LEU A 54 0.733 5.329 9.501 1.00 0.00 C ATOM 405 CD2 LEU A 54 2.034 5.200 7.352 1.00 0.00 C ATOM 0 H LEU A 54 3.052 1.880 7.476 1.00 0.00 H new ATOM 0 HA LEU A 54 3.793 2.246 10.378 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.826 4.333 10.445 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.787 4.399 8.981 1.00 0.00 H new ATOM 0 HG LEU A 54 1.104 3.555 8.341 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.122 5.658 8.910 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.383 4.752 10.357 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.287 6.199 9.852 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.130 5.527 6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.641 6.069 7.607 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.604 4.538 6.699 1.00 0.00 H new ATOM 406 N TYR A 55 1.096 1.956 10.791 1.00 0.00 N ATOM 407 CA TYR A 55 -0.219 1.340 11.079 1.00 0.00 C ATOM 408 C TYR A 55 -1.264 2.232 10.307 1.00 0.00 C ATOM 409 O TYR A 55 -2.047 2.988 10.888 1.00 0.00 O ATOM 410 CB TYR A 55 -0.343 1.230 12.627 1.00 0.00 C ATOM 411 CG TYR A 55 -1.760 0.887 13.097 1.00 0.00 C ATOM 412 CD1 TYR A 55 -2.366 -0.305 12.691 1.00 0.00 C ATOM 413 CD2 TYR A 55 -2.532 1.892 13.685 1.00 0.00 C ATOM 414 CE1 TYR A 55 -3.742 -0.466 12.824 1.00 0.00 C ATOM 415 CE2 TYR A 55 -3.906 1.727 13.820 1.00 0.00 C ATOM 416 CZ TYR A 55 -4.511 0.547 13.396 1.00 0.00 C ATOM 417 OH TYR A 55 -5.867 0.407 13.492 1.00 0.00 O ATOM 0 H TYR A 55 1.332 2.740 11.400 1.00 0.00 H new ATOM 0 HA TYR A 55 -0.382 0.320 10.732 1.00 0.00 H new ATOM 0 HB2 TYR A 55 0.347 0.466 12.987 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.037 2.174 13.077 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.767 -1.101 12.274 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.061 2.798 14.035 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.214 -1.376 12.484 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.504 2.515 14.254 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.249 1.204 13.916 1.00 0.00 H new ATOM 418 N GLY A 56 -1.227 2.179 8.965 1.00 0.00 N ATOM 419 CA GLY A 56 -2.076 3.088 8.155 1.00 0.00 C ATOM 420 C GLY A 56 -1.929 2.985 6.635 1.00 0.00 C ATOM 421 O GLY A 56 -1.377 2.037 6.082 1.00 0.00 O ATOM 0 H GLY A 56 -0.641 1.541 8.426 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.119 2.899 8.411 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.856 4.114 8.450 1.00 0.00 H new ATOM 422 N VAL A 57 -2.467 3.996 5.961 1.00 0.00 N ATOM 423 CA VAL A 57 -2.605 4.002 4.470 1.00 0.00 C ATOM 424 C VAL A 57 -1.250 4.332 3.769 1.00 0.00 C ATOM 425 O VAL A 57 -0.432 5.123 4.253 1.00 0.00 O ATOM 426 CB VAL A 57 -3.719 4.989 3.998 1.00 0.00 C ATOM 427 CG1 VAL A 57 -4.196 4.674 2.572 1.00 0.00 C ATOM 428 CG2 VAL A 57 -5.013 4.909 4.802 1.00 0.00 C ATOM 0 H VAL A 57 -2.824 4.839 6.410 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.901 2.995 4.177 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.234 5.959 4.106 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.971 5.384 2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.356 4.752 1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.600 3.662 2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.732 5.627 4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.427 3.903 4.727 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.807 5.139 5.847 1.00 0.00 H new ATOM 429 N TYR A 58 -1.041 3.731 2.595 1.00 0.00 N ATOM 430 CA TYR A 58 0.247 3.809 1.883 1.00 0.00 C ATOM 431 C TYR A 58 0.203 4.653 0.584 1.00 0.00 C ATOM 432 O TYR A 58 -0.693 4.531 -0.256 1.00 0.00 O ATOM 433 CB TYR A 58 0.641 2.340 1.572 1.00 0.00 C ATOM 434 CG TYR A 58 0.850 1.360 2.750 1.00 0.00 C ATOM 435 CD1 TYR A 58 1.248 1.779 4.029 1.00 0.00 C ATOM 436 CD2 TYR A 58 0.580 0.011 2.527 1.00 0.00 C ATOM 437 CE1 TYR A 58 1.415 0.849 5.052 1.00 0.00 C ATOM 438 CE2 TYR A 58 0.780 -0.923 3.543 1.00 0.00 C ATOM 439 CZ TYR A 58 1.193 -0.500 4.804 1.00 0.00 C ATOM 440 OH TYR A 58 1.320 -1.401 5.824 1.00 0.00 O ATOM 0 H TYR A 58 -1.750 3.180 2.111 1.00 0.00 H new ATOM 0 HA TYR A 58 0.978 4.321 2.509 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.131 1.921 0.927 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.564 2.361 0.993 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.425 2.827 4.221 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.214 -0.312 1.564 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.716 1.176 6.036 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.615 -1.973 3.352 1.00 0.00 H new ATOM 0 HH TYR A 58 1.131 -2.303 5.489 1.00 0.00 H new ATOM 441 N TYR A 59 1.254 5.465 0.425 1.00 0.00 N ATOM 442 CA TYR A 59 1.518 6.268 -0.805 1.00 0.00 C ATOM 443 C TYR A 59 1.720 5.350 -2.074 1.00 0.00 C ATOM 444 O TYR A 59 1.031 5.513 -3.081 1.00 0.00 O ATOM 445 CB TYR A 59 2.753 7.167 -0.465 1.00 0.00 C ATOM 446 CG TYR A 59 2.480 8.454 0.344 1.00 0.00 C ATOM 447 CD1 TYR A 59 2.213 8.416 1.719 1.00 0.00 C ATOM 448 CD2 TYR A 59 2.481 9.688 -0.313 1.00 0.00 C ATOM 449 CE1 TYR A 59 1.906 9.590 2.410 1.00 0.00 C ATOM 450 CE2 TYR A 59 2.159 10.854 0.376 1.00 0.00 C ATOM 451 CZ TYR A 59 1.885 10.807 1.736 1.00 0.00 C ATOM 452 OH TYR A 59 1.488 11.946 2.380 1.00 0.00 O ATOM 0 H TYR A 59 1.962 5.594 1.148 1.00 0.00 H new ATOM 0 HA TYR A 59 0.668 6.894 -1.078 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.470 6.563 0.091 1.00 0.00 H new ATOM 0 HB3 TYR A 59 3.234 7.451 -1.401 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.245 7.474 2.247 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.733 9.737 -1.362 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.685 9.553 3.467 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.122 11.797 -0.149 1.00 0.00 H new ATOM 0 HH TYR A 59 1.707 11.876 3.333 1.00 0.00 H new ATOM 453 N LYS A 60 2.630 4.365 -1.978 1.00 0.00 N ATOM 454 CA LYS A 60 2.871 3.324 -3.007 1.00 0.00 C ATOM 455 C LYS A 60 3.115 2.018 -2.178 1.00 0.00 C ATOM 456 O LYS A 60 4.123 1.929 -1.475 1.00 0.00 O ATOM 457 CB LYS A 60 4.091 3.656 -3.922 1.00 0.00 C ATOM 458 CG LYS A 60 4.053 4.972 -4.740 1.00 0.00 C ATOM 459 CD LYS A 60 4.723 6.163 -4.019 1.00 0.00 C ATOM 460 CE LYS A 60 4.476 7.491 -4.745 1.00 0.00 C ATOM 461 NZ LYS A 60 4.976 8.609 -3.922 1.00 0.00 N ATOM 0 H LYS A 60 3.236 4.263 -1.164 1.00 0.00 H new ATOM 0 HA LYS A 60 2.031 3.237 -3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.982 3.679 -3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.216 2.831 -4.623 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.549 4.811 -5.697 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.016 5.226 -4.958 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.341 6.231 -3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.796 5.985 -3.946 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.978 7.486 -5.713 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.411 7.618 -4.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.645 9.510 -4.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.620 8.510 -2.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.016 8.596 -3.913 1.00 0.00 H new ATOM 462 N CYS A 61 2.195 1.039 -2.171 1.00 0.00 N ATOM 463 CA CYS A 61 2.321 -0.216 -1.360 1.00 0.00 C ATOM 464 C CYS A 61 3.688 -1.019 -1.436 1.00 0.00 C ATOM 465 O CYS A 61 4.415 -0.879 -2.425 1.00 0.00 O ATOM 466 CB CYS A 61 1.167 -1.123 -1.844 1.00 0.00 C ATOM 467 SG CYS A 61 -0.420 -0.622 -1.164 1.00 0.00 S ATOM 0 H CYS A 61 1.338 1.081 -2.722 1.00 0.00 H new ATOM 0 HA CYS A 61 2.285 0.081 -0.312 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.119 -1.097 -2.933 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.373 -2.155 -1.559 1.00 0.00 H new ATOM 468 N PRO A 62 4.079 -1.869 -0.430 1.00 0.00 N ATOM 469 CA PRO A 62 5.333 -2.684 -0.502 1.00 0.00 C ATOM 470 C PRO A 62 5.430 -3.704 -1.695 1.00 0.00 C ATOM 471 O PRO A 62 4.472 -3.923 -2.440 1.00 0.00 O ATOM 472 CB PRO A 62 5.345 -3.347 0.895 1.00 0.00 C ATOM 473 CG PRO A 62 3.882 -3.418 1.329 1.00 0.00 C ATOM 474 CD PRO A 62 3.288 -2.119 0.796 1.00 0.00 C ATOM 0 HA PRO A 62 6.210 -2.075 -0.722 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.790 -4.341 0.853 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.935 -2.763 1.601 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.381 -4.290 0.909 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.788 -3.487 2.413 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.225 -2.221 0.577 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.388 -1.305 1.514 1.00 0.00 H new ATOM 475 N CYS A 63 6.613 -4.308 -1.893 1.00 0.00 N ATOM 476 CA CYS A 63 6.847 -5.283 -2.996 1.00 0.00 C ATOM 477 C CYS A 63 6.172 -6.685 -2.779 1.00 0.00 C ATOM 478 O CYS A 63 5.996 -7.144 -1.644 1.00 0.00 O ATOM 479 CB CYS A 63 8.380 -5.405 -3.120 1.00 0.00 C ATOM 480 SG CYS A 63 9.137 -3.796 -3.415 1.00 0.00 S ATOM 0 H CYS A 63 7.431 -4.144 -1.307 1.00 0.00 H new ATOM 0 HA CYS A 63 6.380 -4.919 -3.911 1.00 0.00 H new ATOM 0 HB2 CYS A 63 8.788 -5.841 -2.208 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.629 -6.083 -3.936 1.00 0.00 H new ATOM 481 N GLU A 64 5.786 -7.370 -3.872 1.00 0.00 N ATOM 482 CA GLU A 64 5.130 -8.707 -3.793 1.00 0.00 C ATOM 483 C GLU A 64 6.074 -9.884 -3.334 1.00 0.00 C ATOM 484 O GLU A 64 7.293 -9.730 -3.206 1.00 0.00 O ATOM 485 CB GLU A 64 4.377 -8.936 -5.148 1.00 0.00 C ATOM 486 CG GLU A 64 5.076 -9.677 -6.327 1.00 0.00 C ATOM 487 CD GLU A 64 6.331 -9.081 -6.956 1.00 0.00 C ATOM 488 OE1 GLU A 64 6.834 -8.005 -6.661 1.00 0.00 O ATOM 489 OE2 GLU A 64 6.839 -9.897 -7.916 1.00 0.00 O ATOM 0 H GLU A 64 5.913 -7.027 -4.824 1.00 0.00 H new ATOM 0 HA GLU A 64 4.405 -8.712 -2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.464 -9.485 -4.919 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.075 -7.956 -5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.331 -10.678 -5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.338 -9.795 -7.121 1.00 0.00 H new ATOM 490 N ARG A 65 5.504 -11.081 -3.084 1.00 0.00 N ATOM 491 CA ARG A 65 6.265 -12.265 -2.589 1.00 0.00 C ATOM 492 C ARG A 65 7.431 -12.707 -3.553 1.00 0.00 C ATOM 493 O ARG A 65 7.225 -13.172 -4.678 1.00 0.00 O ATOM 494 CB ARG A 65 5.231 -13.393 -2.336 1.00 0.00 C ATOM 495 CG ARG A 65 5.798 -14.639 -1.592 1.00 0.00 C ATOM 496 CD ARG A 65 5.584 -15.986 -2.306 1.00 0.00 C ATOM 497 NE ARG A 65 6.340 -16.036 -3.584 1.00 0.00 N ATOM 498 CZ ARG A 65 6.424 -17.087 -4.386 1.00 0.00 C ATOM 499 NH1 ARG A 65 5.904 -18.258 -4.123 1.00 0.00 N ATOM 500 NH2 ARG A 65 7.063 -16.938 -5.503 1.00 0.00 N ATOM 0 H ARG A 65 4.509 -11.262 -3.216 1.00 0.00 H new ATOM 0 HA ARG A 65 6.783 -12.011 -1.664 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.403 -12.985 -1.756 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.821 -13.714 -3.294 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.867 -14.494 -1.438 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.338 -14.693 -0.605 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.905 -16.801 -1.657 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.522 -16.134 -2.501 1.00 0.00 H new ATOM 0 HE ARG A 65 6.836 -15.191 -3.867 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.394 -18.406 -3.252 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.008 -19.024 -4.789 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.478 -16.036 -5.737 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.151 -17.723 -6.149 1.00 0.00 H new ATOM 501 N GLY A 66 8.661 -12.536 -3.056 1.00 0.00 N ATOM 502 CA GLY A 66 9.909 -12.759 -3.850 1.00 0.00 C ATOM 503 C GLY A 66 10.789 -11.519 -4.180 1.00 0.00 C ATOM 504 O GLY A 66 11.967 -11.694 -4.500 1.00 0.00 O ATOM 0 H GLY A 66 8.836 -12.240 -2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.528 -13.474 -3.308 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.627 -13.230 -4.792 1.00 0.00 H new ATOM 505 N LEU A 67 10.240 -10.294 -4.160 1.00 0.00 N ATOM 506 CA LEU A 67 10.992 -9.035 -4.435 1.00 0.00 C ATOM 507 C LEU A 67 11.134 -8.152 -3.149 1.00 0.00 C ATOM 508 O LEU A 67 10.267 -8.120 -2.271 1.00 0.00 O ATOM 509 CB LEU A 67 10.263 -8.264 -5.576 1.00 0.00 C ATOM 510 CG LEU A 67 10.673 -8.636 -7.023 1.00 0.00 C ATOM 511 CD1 LEU A 67 10.290 -10.066 -7.439 1.00 0.00 C ATOM 512 CD2 LEU A 67 10.043 -7.646 -8.006 1.00 0.00 C ATOM 0 H LEU A 67 9.254 -10.136 -3.952 1.00 0.00 H new ATOM 0 HA LEU A 67 12.006 -9.282 -4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.191 -8.429 -5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.437 -7.197 -5.434 1.00 0.00 H new ATOM 0 HG LEU A 67 11.762 -8.585 -7.048 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.613 -10.245 -8.465 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.777 -10.781 -6.775 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.209 -10.187 -7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.333 -7.909 -9.023 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.957 -7.685 -7.916 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.390 -6.638 -7.779 1.00 0.00 H new ATOM 513 N THR A 68 12.244 -7.404 -3.064 1.00 0.00 N ATOM 514 CA THR A 68 12.573 -6.546 -1.890 1.00 0.00 C ATOM 515 C THR A 68 12.445 -5.018 -2.192 1.00 0.00 C ATOM 516 O THR A 68 12.655 -4.550 -3.312 1.00 0.00 O ATOM 517 CB THR A 68 14.014 -6.918 -1.404 1.00 0.00 C ATOM 518 OG1 THR A 68 14.071 -6.778 0.009 1.00 0.00 O ATOM 519 CG2 THR A 68 15.169 -6.060 -1.944 1.00 0.00 C ATOM 0 H THR A 68 12.947 -7.369 -3.802 1.00 0.00 H new ATOM 0 HA THR A 68 11.846 -6.740 -1.101 1.00 0.00 H new ATOM 0 HB THR A 68 14.160 -7.931 -1.780 1.00 0.00 H new ATOM 0 HG1 THR A 68 14.969 -7.010 0.325 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.112 -6.419 -1.533 1.00 0.00 H new ATOM 0 HG22 THR A 68 15.197 -6.130 -3.031 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.018 -5.021 -1.651 1.00 0.00 H new ATOM 520 N CYS A 69 12.174 -4.251 -1.140 1.00 0.00 N ATOM 521 CA CYS A 69 12.154 -2.766 -1.208 1.00 0.00 C ATOM 522 C CYS A 69 13.528 -2.151 -0.767 1.00 0.00 C ATOM 523 O CYS A 69 13.941 -2.368 0.378 1.00 0.00 O ATOM 524 CB CYS A 69 10.952 -2.301 -0.359 1.00 0.00 C ATOM 525 SG CYS A 69 10.526 -0.616 -0.821 1.00 0.00 S ATOM 0 H CYS A 69 11.961 -4.624 -0.215 1.00 0.00 H new ATOM 0 HA CYS A 69 12.025 -2.410 -2.230 1.00 0.00 H new ATOM 0 HB2 CYS A 69 10.100 -2.962 -0.519 1.00 0.00 H new ATOM 0 HB3 CYS A 69 11.199 -2.350 0.702 1.00 0.00 H new ATOM 526 N GLU A 70 14.211 -1.323 -1.583 1.00 0.00 N ATOM 527 CA GLU A 70 15.512 -0.695 -1.156 1.00 0.00 C ATOM 528 C GLU A 70 15.283 0.733 -0.529 1.00 0.00 C ATOM 529 O GLU A 70 15.570 1.777 -1.124 1.00 0.00 O ATOM 530 CB GLU A 70 16.520 -0.751 -2.344 1.00 0.00 C ATOM 531 CG GLU A 70 16.183 -0.004 -3.666 1.00 0.00 C ATOM 532 CD GLU A 70 17.239 -0.114 -4.760 1.00 0.00 C ATOM 533 OE1 GLU A 70 17.408 -1.391 -5.195 1.00 0.00 O ATOM 534 OE2 GLU A 70 17.849 0.845 -5.217 1.00 0.00 O ATOM 0 H GLU A 70 13.906 -1.068 -2.522 1.00 0.00 H new ATOM 0 HA GLU A 70 15.966 -1.263 -0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 70 17.473 -0.364 -1.983 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.676 -1.801 -2.592 1.00 0.00 H new ATOM 0 HG2 GLU A 70 15.240 -0.390 -4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 70 16.026 1.051 -3.439 1.00 0.00 H new ATOM 535 N GLY A 71 14.765 0.751 0.715 1.00 0.00 N ATOM 536 CA GLY A 71 14.343 1.978 1.457 1.00 0.00 C ATOM 537 C GLY A 71 15.394 3.008 1.897 1.00 0.00 C ATOM 538 O GLY A 71 15.748 3.107 3.070 1.00 0.00 O ATOM 0 H GLY A 71 14.621 -0.103 1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 71 13.618 2.501 0.833 1.00 0.00 H new ATOM 0 HA3 GLY A 71 13.815 1.650 2.353 1.00 0.00 H new ATOM 539 N ASP A 72 15.829 3.795 0.921 1.00 0.00 N ATOM 540 CA ASP A 72 16.863 4.845 1.118 1.00 0.00 C ATOM 541 C ASP A 72 16.231 6.279 1.016 1.00 0.00 C ATOM 542 O ASP A 72 16.069 6.957 2.034 1.00 0.00 O ATOM 543 CB ASP A 72 18.002 4.555 0.096 1.00 0.00 C ATOM 544 CG ASP A 72 18.872 3.333 0.389 1.00 0.00 C ATOM 545 OD1 ASP A 72 18.324 2.178 -0.091 1.00 0.00 O ATOM 546 OD2 ASP A 72 19.944 3.399 0.978 1.00 0.00 O ATOM 0 H ASP A 72 15.484 3.736 -0.037 1.00 0.00 H new ATOM 0 HA ASP A 72 17.293 4.821 2.119 1.00 0.00 H new ATOM 0 HB2 ASP A 72 17.555 4.429 -0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.648 5.432 0.044 1.00 0.00 H new ATOM 547 N LYS A 73 15.874 6.745 -0.194 1.00 0.00 N ATOM 548 CA LYS A 73 15.302 8.100 -0.436 1.00 0.00 C ATOM 549 C LYS A 73 14.515 8.103 -1.790 1.00 0.00 C ATOM 550 O LYS A 73 14.950 7.504 -2.780 1.00 0.00 O ATOM 551 CB LYS A 73 16.398 9.209 -0.383 1.00 0.00 C ATOM 552 CG LYS A 73 17.538 9.168 -1.432 1.00 0.00 C ATOM 553 CD LYS A 73 18.497 10.365 -1.289 1.00 0.00 C ATOM 554 CE LYS A 73 19.611 10.346 -2.345 1.00 0.00 C ATOM 555 NZ LYS A 73 20.469 11.536 -2.173 1.00 0.00 N ATOM 0 H LYS A 73 15.972 6.193 -1.046 1.00 0.00 H new ATOM 0 HA LYS A 73 14.602 8.335 0.366 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.899 10.174 -0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 73 16.855 9.177 0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 73 18.098 8.239 -1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 73 17.109 9.165 -2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.932 11.293 -1.376 1.00 0.00 H new ATOM 0 HD3 LYS A 73 18.942 10.355 -0.294 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.206 9.438 -2.246 1.00 0.00 H new ATOM 0 HE3 LYS A 73 19.179 10.337 -3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 21.225 11.525 -2.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 19.896 12.396 -2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 20.891 11.525 -1.223 1.00 0.00 H new ATOM 556 N SER A 74 13.357 8.780 -1.831 1.00 0.00 N ATOM 557 CA SER A 74 12.524 8.871 -3.069 1.00 0.00 C ATOM 558 C SER A 74 12.547 10.278 -3.755 1.00 0.00 C ATOM 559 O SER A 74 12.854 10.333 -4.949 1.00 0.00 O ATOM 560 CB SER A 74 11.116 8.333 -2.739 1.00 0.00 C ATOM 561 OG SER A 74 10.423 9.093 -1.750 1.00 0.00 O ATOM 0 H SER A 74 12.966 9.276 -1.030 1.00 0.00 H new ATOM 0 HA SER A 74 12.962 8.243 -3.845 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.521 8.316 -3.652 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.203 7.302 -2.396 1.00 0.00 H new ATOM 0 HG SER A 74 11.012 9.243 -0.981 1.00 0.00 H new ATOM 562 N LEU A 75 12.232 11.404 -3.074 1.00 0.00 N ATOM 563 CA LEU A 75 12.368 12.761 -3.685 1.00 0.00 C ATOM 564 C LEU A 75 12.940 13.775 -2.631 1.00 0.00 C ATOM 565 O LEU A 75 14.149 13.766 -2.390 1.00 0.00 O ATOM 566 CB LEU A 75 11.020 13.131 -4.402 1.00 0.00 C ATOM 567 CG LEU A 75 11.069 14.052 -5.651 1.00 0.00 C ATOM 568 CD1 LEU A 75 11.758 15.405 -5.422 1.00 0.00 C ATOM 569 CD2 LEU A 75 11.711 13.342 -6.856 1.00 0.00 C ATOM 0 H LEU A 75 11.886 11.409 -2.114 1.00 0.00 H new ATOM 0 HA LEU A 75 13.113 12.795 -4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.536 12.200 -4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.373 13.607 -3.665 1.00 0.00 H new ATOM 0 HG LEU A 75 10.023 14.269 -5.865 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.746 15.981 -6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.229 15.956 -4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.790 15.240 -5.111 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.727 14.018 -7.711 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.731 13.050 -6.605 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.130 12.454 -7.107 1.00 0.00 H new ATOM 570 N VAL A 76 12.120 14.646 -2.011 1.00 0.00 N ATOM 571 CA VAL A 76 12.612 15.724 -1.084 1.00 0.00 C ATOM 572 C VAL A 76 11.902 15.839 0.317 1.00 0.00 C ATOM 573 O VAL A 76 12.369 16.601 1.168 1.00 0.00 O ATOM 574 CB VAL A 76 12.586 17.063 -1.914 1.00 0.00 C ATOM 575 CG1 VAL A 76 11.201 17.730 -2.085 1.00 0.00 C ATOM 576 CG2 VAL A 76 13.573 18.125 -1.388 1.00 0.00 C ATOM 0 H VAL A 76 11.107 14.636 -2.126 1.00 0.00 H new ATOM 0 HA VAL A 76 13.620 15.462 -0.763 1.00 0.00 H new ATOM 0 HB VAL A 76 12.897 16.712 -2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.306 18.642 -2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.528 17.044 -2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.792 17.975 -1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.505 19.022 -2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.324 18.373 -0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.588 17.731 -1.432 1.00 0.00 H new ATOM 577 N GLY A 77 10.781 15.145 0.578 1.00 0.00 N ATOM 578 CA GLY A 77 10.054 15.246 1.878 1.00 0.00 C ATOM 579 C GLY A 77 8.993 16.363 2.019 1.00 0.00 C ATOM 580 O GLY A 77 7.855 16.076 2.390 1.00 0.00 O ATOM 0 H GLY A 77 10.349 14.504 -0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.563 14.291 2.064 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.793 15.383 2.667 1.00 0.00 H new ATOM 581 N SER A 78 9.367 17.624 1.741 1.00 0.00 N ATOM 582 CA SER A 78 8.449 18.809 1.838 1.00 0.00 C ATOM 583 C SER A 78 7.109 18.710 1.025 1.00 0.00 C ATOM 584 O SER A 78 6.023 18.890 1.580 1.00 0.00 O ATOM 585 CB SER A 78 9.298 20.054 1.476 1.00 0.00 C ATOM 586 OG SER A 78 8.561 21.252 1.724 1.00 0.00 O ATOM 0 H SER A 78 10.311 17.867 1.441 1.00 0.00 H new ATOM 0 HA SER A 78 8.067 18.870 2.857 1.00 0.00 H new ATOM 0 HB2 SER A 78 10.217 20.058 2.062 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.589 20.010 0.427 1.00 0.00 H new ATOM 0 HG SER A 78 9.112 22.029 1.492 1.00 0.00 H new ATOM 587 N ILE A 79 7.191 18.382 -0.270 1.00 0.00 N ATOM 588 CA ILE A 79 5.985 18.099 -1.131 1.00 0.00 C ATOM 589 C ILE A 79 5.581 16.565 -1.182 1.00 0.00 C ATOM 590 O ILE A 79 5.058 16.044 -2.172 1.00 0.00 O ATOM 591 CB ILE A 79 6.193 18.703 -2.568 1.00 0.00 C ATOM 592 CG1 ILE A 79 7.543 18.428 -3.305 1.00 0.00 C ATOM 593 CG2 ILE A 79 5.970 20.237 -2.552 1.00 0.00 C ATOM 594 CD1 ILE A 79 7.864 16.949 -3.583 1.00 0.00 C ATOM 0 H ILE A 79 8.077 18.300 -0.768 1.00 0.00 H new ATOM 0 HA ILE A 79 5.136 18.594 -0.660 1.00 0.00 H new ATOM 0 HB ILE A 79 5.445 18.157 -3.143 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.532 18.963 -4.255 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.353 18.851 -2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.118 20.637 -3.555 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.954 20.454 -2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.681 20.701 -1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 79 8.822 16.875 -4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.915 16.404 -2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 79 7.082 16.518 -4.209 1.00 0.00 H new ATOM 595 N THR A 80 5.764 15.860 -0.060 1.00 0.00 N ATOM 596 CA THR A 80 5.583 14.383 0.104 1.00 0.00 C ATOM 597 C THR A 80 6.663 13.557 -0.693 1.00 0.00 C ATOM 598 O THR A 80 7.659 14.093 -1.193 1.00 0.00 O ATOM 599 CB THR A 80 4.106 13.894 -0.081 1.00 0.00 C ATOM 600 OG1 THR A 80 3.760 13.854 -1.459 1.00 0.00 O ATOM 601 CG2 THR A 80 3.022 14.715 0.622 1.00 0.00 C ATOM 0 H THR A 80 6.056 16.309 0.808 1.00 0.00 H new ATOM 0 HA THR A 80 5.779 14.168 1.154 1.00 0.00 H new ATOM 0 HB THR A 80 4.117 12.911 0.389 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.176 14.610 -1.923 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.045 14.277 0.418 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.204 14.713 1.697 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.045 15.740 0.252 1.00 0.00 H new ATOM 602 N ASN A 81 6.500 12.218 -0.744 1.00 0.00 N ATOM 603 CA ASN A 81 7.482 11.253 -1.346 1.00 0.00 C ATOM 604 C ASN A 81 8.793 11.311 -0.477 1.00 0.00 C ATOM 605 O ASN A 81 9.760 12.013 -0.791 1.00 0.00 O ATOM 606 CB ASN A 81 7.592 11.515 -2.878 1.00 0.00 C ATOM 607 CG ASN A 81 8.018 10.329 -3.746 1.00 0.00 C ATOM 608 OD1 ASN A 81 7.906 9.159 -3.398 1.00 0.00 O ATOM 609 ND2 ASN A 81 8.411 10.568 -4.968 1.00 0.00 N ATOM 0 H ASN A 81 5.673 11.756 -0.365 1.00 0.00 H new ATOM 0 HA ASN A 81 7.174 10.208 -1.308 1.00 0.00 H new ATOM 0 HB2 ASN A 81 6.624 11.868 -3.234 1.00 0.00 H new ATOM 0 HB3 ASN A 81 8.304 12.325 -3.035 1.00 0.00 H new ATOM 0 HD21 ASN A 81 8.614 9.793 -5.599 1.00 0.00 H new ATOM 0 HD22 ASN A 81 8.515 11.530 -5.291 1.00 0.00 H new ATOM 610 N THR A 82 8.790 10.562 0.641 1.00 0.00 N ATOM 611 CA THR A 82 9.842 10.659 1.690 1.00 0.00 C ATOM 612 C THR A 82 10.949 9.561 1.520 1.00 0.00 C ATOM 613 O THR A 82 11.745 9.632 0.577 1.00 0.00 O ATOM 614 CB THR A 82 9.086 10.709 3.082 1.00 0.00 C ATOM 615 OG1 THR A 82 8.453 9.466 3.375 1.00 0.00 O ATOM 616 CG2 THR A 82 7.958 11.755 3.243 1.00 0.00 C ATOM 0 H THR A 82 8.066 9.874 0.849 1.00 0.00 H new ATOM 0 HA THR A 82 10.435 11.570 1.609 1.00 0.00 H new ATOM 0 HB THR A 82 9.904 10.976 3.750 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.805 9.110 4.218 1.00 0.00 H new ATOM 0 HG21 THR A 82 7.529 11.677 4.242 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.366 12.755 3.101 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.182 11.571 2.500 1.00 0.00 H new ATOM 617 N ASN A 83 11.012 8.553 2.399 1.00 0.00 N ATOM 618 CA ASN A 83 12.075 7.499 2.378 1.00 0.00 C ATOM 619 C ASN A 83 11.526 6.139 1.834 1.00 0.00 C ATOM 620 O ASN A 83 11.536 5.104 2.509 1.00 0.00 O ATOM 621 CB ASN A 83 12.692 7.400 3.804 1.00 0.00 C ATOM 622 CG ASN A 83 13.450 8.640 4.288 1.00 0.00 C ATOM 623 OD1 ASN A 83 12.895 9.527 4.924 1.00 0.00 O ATOM 624 ND2 ASN A 83 14.720 8.763 4.001 1.00 0.00 N ATOM 0 H ASN A 83 10.334 8.431 3.152 1.00 0.00 H new ATOM 0 HA ASN A 83 12.869 7.772 1.683 1.00 0.00 H new ATOM 0 HB2 ASN A 83 11.891 7.187 4.512 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.373 6.549 3.827 1.00 0.00 H new ATOM 0 HD21 ASN A 83 15.234 9.589 4.306 1.00 0.00 H new ATOM 0 HD22 ASN A 83 15.196 8.033 3.472 1.00 0.00 H new ATOM 625 N PHE A 84 11.058 6.148 0.577 1.00 0.00 N ATOM 626 CA PHE A 84 10.495 4.946 -0.090 1.00 0.00 C ATOM 627 C PHE A 84 11.569 4.304 -1.022 1.00 0.00 C ATOM 628 O PHE A 84 12.420 4.978 -1.612 1.00 0.00 O ATOM 629 CB PHE A 84 9.196 5.319 -0.868 1.00 0.00 C ATOM 630 CG PHE A 84 8.044 6.057 -0.141 1.00 0.00 C ATOM 631 CD1 PHE A 84 7.744 5.854 1.213 1.00 0.00 C ATOM 632 CD2 PHE A 84 7.286 6.979 -0.870 1.00 0.00 C ATOM 633 CE1 PHE A 84 6.742 6.598 1.834 1.00 0.00 C ATOM 634 CE2 PHE A 84 6.279 7.714 -0.254 1.00 0.00 C ATOM 635 CZ PHE A 84 6.020 7.537 1.101 1.00 0.00 C ATOM 0 H PHE A 84 11.055 6.981 -0.011 1.00 0.00 H new ATOM 0 HA PHE A 84 10.223 4.206 0.662 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.492 5.936 -1.717 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.784 4.395 -1.274 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.293 5.116 1.779 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.485 7.122 -1.922 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.526 6.447 2.881 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.699 8.422 -0.827 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.258 8.129 1.586 1.00 0.00 H new ATOM 636 N GLY A 85 11.525 2.973 -1.133 1.00 0.00 N ATOM 637 CA GLY A 85 12.484 2.231 -1.990 1.00 0.00 C ATOM 638 C GLY A 85 11.965 1.848 -3.381 1.00 0.00 C ATOM 639 O GLY A 85 10.822 2.120 -3.745 1.00 0.00 O ATOM 0 H GLY A 85 10.847 2.383 -0.650 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.382 2.837 -2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 85 12.782 1.321 -1.469 1.00 0.00 H new ATOM 640 N ILE A 86 12.813 1.159 -4.142 1.00 0.00 N ATOM 641 CA ILE A 86 12.406 0.543 -5.443 1.00 0.00 C ATOM 642 C ILE A 86 12.361 -1.017 -5.258 1.00 0.00 C ATOM 643 O ILE A 86 13.213 -1.626 -4.600 1.00 0.00 O ATOM 644 CB ILE A 86 13.352 0.992 -6.619 1.00 0.00 C ATOM 645 CG1 ILE A 86 13.492 2.535 -6.815 1.00 0.00 C ATOM 646 CG2 ILE A 86 12.878 0.401 -7.972 1.00 0.00 C ATOM 647 CD1 ILE A 86 12.225 3.286 -7.270 1.00 0.00 C ATOM 0 H ILE A 86 13.791 1.003 -3.897 1.00 0.00 H new ATOM 0 HA ILE A 86 11.413 0.891 -5.726 1.00 0.00 H new ATOM 0 HB ILE A 86 14.327 0.608 -6.319 1.00 0.00 H new ATOM 0 HG12 ILE A 86 13.827 2.970 -5.873 1.00 0.00 H new ATOM 0 HG13 ILE A 86 14.278 2.716 -7.548 1.00 0.00 H new ATOM 0 HG21 ILE A 86 13.549 0.727 -8.767 1.00 0.00 H new ATOM 0 HG22 ILE A 86 12.884 -0.688 -7.916 1.00 0.00 H new ATOM 0 HG23 ILE A 86 11.867 0.747 -8.186 1.00 0.00 H new ATOM 0 HD11 ILE A 86 12.448 4.348 -7.371 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.894 2.892 -8.231 1.00 0.00 H new ATOM 0 HD13 ILE A 86 11.436 3.150 -6.531 1.00 0.00 H new ATOM 648 N CYS A 87 11.362 -1.663 -5.869 1.00 0.00 N ATOM 649 CA CYS A 87 11.241 -3.143 -5.897 1.00 0.00 C ATOM 650 C CYS A 87 12.319 -3.864 -6.774 1.00 0.00 C ATOM 651 O CYS A 87 12.460 -3.538 -7.957 1.00 0.00 O ATOM 652 CB CYS A 87 9.831 -3.410 -6.441 1.00 0.00 C ATOM 653 SG CYS A 87 8.579 -3.065 -5.196 1.00 0.00 S ATOM 0 H CYS A 87 10.609 -1.183 -6.361 1.00 0.00 H new ATOM 0 HA CYS A 87 11.407 -3.547 -4.898 1.00 0.00 H new ATOM 0 HB2 CYS A 87 9.654 -2.791 -7.320 1.00 0.00 H new ATOM 0 HB3 CYS A 87 9.752 -4.449 -6.762 1.00 0.00 H new ATOM 654 N HIS A 88 13.090 -4.819 -6.217 1.00 0.00 N ATOM 655 CA HIS A 88 14.066 -5.627 -7.001 1.00 0.00 C ATOM 656 C HIS A 88 14.164 -7.099 -6.484 1.00 0.00 C ATOM 657 O HIS A 88 13.939 -7.412 -5.313 1.00 0.00 O ATOM 658 CB HIS A 88 15.456 -4.946 -6.961 1.00 0.00 C ATOM 659 CG HIS A 88 15.630 -3.721 -7.856 1.00 0.00 C ATOM 660 ND1 HIS A 88 15.915 -3.821 -9.209 1.00 0.00 N ATOM 661 CD2 HIS A 88 15.406 -2.381 -7.494 1.00 0.00 C ATOM 662 CE1 HIS A 88 15.836 -2.497 -9.550 1.00 0.00 C ATOM 663 NE2 HIS A 88 15.577 -1.557 -8.591 1.00 0.00 N ATOM 0 H HIS A 88 13.061 -5.056 -5.225 1.00 0.00 H new ATOM 0 HA HIS A 88 13.710 -5.674 -8.030 1.00 0.00 H new ATOM 0 HB2 HIS A 88 15.664 -4.652 -5.932 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.208 -5.684 -7.240 1.00 0.00 H new ATOM 0 HD2 HIS A 88 15.139 -2.044 -6.503 1.00 0.00 H new ATOM 0 HE1 HIS A 88 15.978 -2.195 -10.577 1.00 0.00 H new ATOM 0 HE2 HIS A 88 15.525 -0.541 -8.664 1.00 0.00 H new ATOM 664 N ASN A 89 14.588 -8.004 -7.371 1.00 0.00 N ATOM 665 CA ASN A 89 14.837 -9.430 -7.037 1.00 0.00 C ATOM 666 C ASN A 89 16.353 -9.685 -6.735 1.00 0.00 C ATOM 667 O ASN A 89 17.248 -9.174 -7.416 1.00 0.00 O ATOM 668 CB ASN A 89 14.334 -10.237 -8.258 1.00 0.00 C ATOM 669 CG ASN A 89 14.325 -11.757 -8.094 1.00 0.00 C ATOM 670 OD1 ASN A 89 15.193 -12.462 -8.591 1.00 0.00 O ATOM 671 ND2 ASN A 89 13.386 -12.324 -7.382 1.00 0.00 N ATOM 0 H ASN A 89 14.772 -7.778 -8.348 1.00 0.00 H new ATOM 0 HA ASN A 89 14.313 -9.734 -6.131 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.321 -9.910 -8.493 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.957 -9.987 -9.117 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.387 -13.335 -7.250 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.653 -11.755 -6.959 1.00 0.00 H new ATOM 672 N VAL A 90 16.621 -10.502 -5.709 1.00 0.00 N ATOM 673 CA VAL A 90 18.018 -10.844 -5.287 1.00 0.00 C ATOM 674 C VAL A 90 18.190 -12.401 -5.356 1.00 0.00 C ATOM 675 O VAL A 90 18.150 -13.121 -4.354 1.00 0.00 O ATOM 676 CB VAL A 90 18.343 -10.216 -3.886 1.00 0.00 C ATOM 677 CG1 VAL A 90 19.800 -10.471 -3.431 1.00 0.00 C ATOM 678 CG2 VAL A 90 18.129 -8.682 -3.795 1.00 0.00 C ATOM 0 H VAL A 90 15.898 -10.948 -5.144 1.00 0.00 H new ATOM 0 HA VAL A 90 18.753 -10.409 -5.964 1.00 0.00 H new ATOM 0 HB VAL A 90 17.628 -10.724 -3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 90 19.962 -10.012 -2.456 1.00 0.00 H new ATOM 0 HG12 VAL A 90 19.977 -11.544 -3.361 1.00 0.00 H new ATOM 0 HG13 VAL A 90 20.489 -10.036 -4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 90 18.379 -8.339 -2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 90 18.771 -8.181 -4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 90 17.087 -8.447 -4.010 1.00 0.00 H new ATOM 679 N GLY A 91 18.381 -12.906 -6.578 1.00 0.00 N ATOM 680 CA GLY A 91 18.586 -14.360 -6.830 1.00 0.00 C ATOM 681 C GLY A 91 18.725 -14.764 -8.313 1.00 0.00 C ATOM 682 O GLY A 91 17.976 -15.611 -8.801 1.00 0.00 O ATOM 0 H GLY A 91 18.400 -12.335 -7.423 1.00 0.00 H new ATOM 0 HA2 GLY A 91 19.482 -14.680 -6.299 1.00 0.00 H new ATOM 0 HA3 GLY A 91 17.748 -14.907 -6.399 1.00 0.00 H new ATOM 683 N ARG A 92 19.717 -14.206 -9.020 1.00 0.00 N ATOM 684 CA ARG A 92 19.925 -14.452 -10.477 1.00 0.00 C ATOM 685 C ARG A 92 20.720 -15.773 -10.794 1.00 0.00 C ATOM 686 O ARG A 92 21.869 -15.773 -11.246 1.00 0.00 O ATOM 687 CB ARG A 92 20.526 -13.137 -11.072 1.00 0.00 C ATOM 688 CG ARG A 92 21.990 -12.695 -10.764 1.00 0.00 C ATOM 689 CD ARG A 92 22.385 -12.422 -9.299 1.00 0.00 C ATOM 690 NE ARG A 92 21.651 -11.255 -8.745 1.00 0.00 N ATOM 691 CZ ARG A 92 21.686 -10.863 -7.477 1.00 0.00 C ATOM 692 NH1 ARG A 92 22.249 -11.543 -6.512 1.00 0.00 N ATOM 693 NH2 ARG A 92 21.127 -9.733 -7.179 1.00 0.00 N ATOM 0 H ARG A 92 20.403 -13.571 -8.611 1.00 0.00 H new ATOM 0 HA ARG A 92 18.978 -14.662 -10.975 1.00 0.00 H new ATOM 0 HB2 ARG A 92 20.440 -13.212 -12.156 1.00 0.00 H new ATOM 0 HB3 ARG A 92 19.876 -12.321 -10.756 1.00 0.00 H new ATOM 0 HG2 ARG A 92 22.657 -13.467 -11.148 1.00 0.00 H new ATOM 0 HG3 ARG A 92 22.189 -11.788 -11.335 1.00 0.00 H new ATOM 0 HD2 ARG A 92 22.176 -13.305 -8.694 1.00 0.00 H new ATOM 0 HD3 ARG A 92 23.458 -12.240 -9.238 1.00 0.00 H new ATOM 0 HE ARG A 92 21.075 -10.713 -9.389 1.00 0.00 H new ATOM 0 HH11 ARG A 92 22.699 -12.436 -6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 92 22.238 -11.180 -5.559 1.00 0.00 H new ATOM 0 HH21 ARG A 92 20.680 -9.177 -7.908 1.00 0.00 H new ATOM 0 HH22 ARG A 92 21.134 -9.399 -6.215 1.00 0.00 H new ATOM 694 N SER A 93 20.071 -16.938 -10.623 1.00 0.00 N ATOM 695 CA SER A 93 20.720 -18.270 -10.808 1.00 0.00 C ATOM 696 C SER A 93 20.916 -18.682 -12.304 1.00 0.00 C ATOM 697 O SER A 93 20.487 -19.728 -12.794 1.00 0.00 O ATOM 698 CB SER A 93 19.866 -19.275 -10.000 1.00 0.00 C ATOM 699 OG SER A 93 20.426 -20.587 -10.077 1.00 0.00 O ATOM 0 H SER A 93 19.089 -16.995 -10.355 1.00 0.00 H new ATOM 0 HA SER A 93 21.745 -18.245 -10.439 1.00 0.00 H new ATOM 0 HB2 SER A 93 19.810 -18.958 -8.959 1.00 0.00 H new ATOM 0 HB3 SER A 93 18.846 -19.286 -10.385 1.00 0.00 H new ATOM 0 HG SER A 93 20.520 -20.848 -11.017 1.00 0.00 H new TER 700 SER A 93 HETATM 701 O OH A 94 21.665 -17.773 -13.003 1.00 0.00 O