USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1054 hydrogens (16 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 45 THR OG1 : rot 133:sc= -1.79 USER MOD Set 1.2: A 48 GLN : amide:sc= -0.613 K(o=-2.4,f=-6.2!) USER MOD Set 2.1: A 32 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0937) USER MOD Set 2.2: A 100 GLN : amide:sc= -0.27 K(o=-0.27,f=-2.2!) USER MOD Set 3.1: A 28 HIS : no HD1:sc= -3.19 K(o=-6,f=-9.2!) USER MOD Set 3.2: A 29 MET CE :methyl -177:sc= -2.77 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -128:sc= 0.979 (180deg=-1.36) USER MOD Single : A 2 LYS NZ :NH3+ 151:sc= -0.21 (180deg=-0.927) USER MOD Single : A 3 LYS NZ :NH3+ -154:sc= -0.0688 (180deg=-0.377) USER MOD Single : A 5 GLN : amide:sc= -0.0805 X(o=-0.08,f=-0.08) USER MOD Single : A 13 ASN : amide:sc= -7.82! C(o=-7.8!,f=-12!) USER MOD Single : A 15 ASN : amide:sc= -0.452 X(o=-0.45,f=-0.59) USER MOD Single : A 16 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.058) USER MOD Single : A 21 THR OG1 : rot -45:sc= 0.728 USER MOD Single : A 31 ASN : amide:sc= -1.05 X(o=-1,f=-1.4) USER MOD Single : A 39 LYS NZ :NH3+ 152:sc= -1.46 (180deg=-2.98!) USER MOD Single : A 42 MET CE :methyl -166:sc= -2.95 (180deg=-3.54!) USER MOD Single : A 55 GLN : amide:sc= -0.0765 X(o=-0.076,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 63 GLN : amide:sc= -1.55 K(o=-1.5,f=-3.7) USER MOD Single : A 64 HIS : no HE2:sc= -16.5! C(o=-16!,f=-24!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 135:sc= -0.991 (180deg=-2.92!) USER MOD Single : A 73 TYR OH : rot 30:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -2.48 K(o=-2.5,f=-1.8) USER MOD Single : A 81 THR OG1 : rot -150:sc= -1.15 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 174:sc= -0.445 (180deg=-0.58) USER MOD Single : A 106 SER OG : rot 44:sc= 0.0938 USER MOD Single : A 111 ASN : amide:sc= -0.929 K(o=-0.93,f=-8.2!) USER MOD Single : A 119 ASN : amide:sc= -1.04 K(o=-1,f=-4.3!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.16) USER MOD Single : A 131 8OG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.072 -5.515 -1.414 1.00 0.00 N ATOM 2 CA MET A 1 -23.818 -6.254 -1.111 1.00 0.00 C ATOM 3 C MET A 1 -22.630 -5.644 -1.848 1.00 0.00 C ATOM 4 O MET A 1 -22.330 -6.021 -2.981 1.00 0.00 O ATOM 5 CB MET A 1 -24.001 -7.716 -1.523 1.00 0.00 C ATOM 6 CG MET A 1 -22.912 -8.636 -0.998 1.00 0.00 C ATOM 7 SD MET A 1 -22.475 -9.933 -2.171 1.00 0.00 S ATOM 8 CE MET A 1 -23.788 -11.115 -1.875 1.00 0.00 C ATOM 0 H1 MET A 1 -25.541 -5.248 -0.525 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.847 -4.658 -1.958 1.00 0.00 H new ATOM 0 H3 MET A 1 -25.707 -6.122 -1.971 1.00 0.00 H new ATOM 0 HA MET A 1 -23.612 -6.188 -0.043 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.968 -8.068 -1.163 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.024 -7.778 -2.611 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.025 -8.047 -0.766 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.245 -9.092 -0.065 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.656 -11.977 -2.529 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.757 -11.440 -0.835 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.751 -10.648 -2.081 1.00 0.00 H new ATOM 20 N LYS A 2 -21.955 -4.701 -1.197 1.00 0.00 N ATOM 21 CA LYS A 2 -20.800 -4.042 -1.792 1.00 0.00 C ATOM 22 C LYS A 2 -19.528 -4.853 -1.559 1.00 0.00 C ATOM 23 O LYS A 2 -19.322 -5.409 -0.480 1.00 0.00 O ATOM 24 CB LYS A 2 -20.634 -2.632 -1.221 1.00 0.00 C ATOM 25 CG LYS A 2 -20.043 -1.641 -2.209 1.00 0.00 C ATOM 26 CD LYS A 2 -21.100 -0.689 -2.746 1.00 0.00 C ATOM 27 CE LYS A 2 -21.247 0.537 -1.859 1.00 0.00 C ATOM 28 NZ LYS A 2 -19.971 1.296 -1.745 1.00 0.00 N ATOM 0 H LYS A 2 -22.189 -4.377 -0.258 1.00 0.00 H new ATOM 0 HA LYS A 2 -20.971 -3.970 -2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -21.606 -2.266 -0.890 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -19.994 -2.679 -0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.251 -1.070 -1.724 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -19.584 -2.181 -3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -20.832 -0.379 -3.756 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -22.057 -1.207 -2.814 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -22.022 1.188 -2.265 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -21.577 0.230 -0.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -20.179 2.302 -1.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -19.417 0.926 -0.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -19.425 1.191 -2.624 1.00 0.00 H new ATOM 42 N LYS A 3 -18.681 -4.908 -2.578 1.00 0.00 N ATOM 43 CA LYS A 3 -17.424 -5.645 -2.496 1.00 0.00 C ATOM 44 C LYS A 3 -16.308 -4.875 -3.191 1.00 0.00 C ATOM 45 O LYS A 3 -16.474 -4.408 -4.318 1.00 0.00 O ATOM 46 CB LYS A 3 -17.576 -7.032 -3.126 1.00 0.00 C ATOM 47 CG LYS A 3 -18.111 -6.999 -4.547 1.00 0.00 C ATOM 48 CD LYS A 3 -19.631 -7.000 -4.571 1.00 0.00 C ATOM 49 CE LYS A 3 -20.182 -8.387 -4.855 1.00 0.00 C ATOM 50 NZ LYS A 3 -19.855 -8.845 -6.233 1.00 0.00 N ATOM 0 H LYS A 3 -18.841 -4.450 -3.475 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.164 -5.764 -1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.607 -7.531 -3.123 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -18.245 -7.631 -2.508 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.739 -6.110 -5.056 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -17.737 -7.862 -5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -20.011 -6.645 -3.613 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -19.984 -6.304 -5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -19.775 -9.094 -4.132 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -21.264 -8.382 -4.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -20.567 -9.535 -6.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.854 -8.030 -6.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -18.915 -9.291 -6.237 1.00 0.00 H new ATOM 64 N LEU A 4 -15.177 -4.733 -2.511 1.00 0.00 N ATOM 65 CA LEU A 4 -14.045 -4.004 -3.068 1.00 0.00 C ATOM 66 C LEU A 4 -12.713 -4.603 -2.620 1.00 0.00 C ATOM 67 O LEU A 4 -12.559 -5.013 -1.469 1.00 0.00 O ATOM 68 CB LEU A 4 -14.129 -2.535 -2.652 1.00 0.00 C ATOM 69 CG LEU A 4 -14.564 -2.297 -1.205 1.00 0.00 C ATOM 70 CD1 LEU A 4 -13.372 -2.394 -0.267 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.244 -0.944 -1.071 1.00 0.00 C ATOM 0 H LEU A 4 -15.020 -5.111 -1.577 1.00 0.00 H new ATOM 0 HA LEU A 4 -14.091 -4.082 -4.154 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.153 -2.074 -2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.828 -2.025 -3.314 1.00 0.00 H new ATOM 0 HG LEU A 4 -15.280 -3.070 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.701 -2.222 0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.928 -3.387 -0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.631 -1.643 -0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.547 -0.790 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.550 -0.157 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.123 -0.913 -1.715 1.00 0.00 H new ATOM 83 N GLN A 5 -11.752 -4.651 -3.541 1.00 0.00 N ATOM 84 CA GLN A 5 -10.431 -5.197 -3.248 1.00 0.00 C ATOM 85 C GLN A 5 -9.399 -4.090 -3.091 1.00 0.00 C ATOM 86 O GLN A 5 -9.532 -3.008 -3.663 1.00 0.00 O ATOM 87 CB GLN A 5 -9.985 -6.147 -4.355 1.00 0.00 C ATOM 88 CG GLN A 5 -11.095 -7.056 -4.844 1.00 0.00 C ATOM 89 CD GLN A 5 -10.622 -8.056 -5.880 1.00 0.00 C ATOM 90 OE1 GLN A 5 -9.713 -8.847 -5.629 1.00 0.00 O ATOM 91 NE2 GLN A 5 -11.238 -8.024 -7.056 1.00 0.00 N ATOM 0 H GLN A 5 -11.865 -4.317 -4.498 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.506 -5.744 -2.308 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.605 -5.564 -5.194 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.158 -6.757 -3.990 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.520 -7.592 -3.995 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.894 -6.449 -5.270 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.987 -7.352 -7.221 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.962 -8.672 -7.794 1.00 0.00 H new ATOM 100 N ILE A 6 -8.366 -4.378 -2.311 1.00 0.00 N ATOM 101 CA ILE A 6 -7.296 -3.429 -2.065 1.00 0.00 C ATOM 102 C ILE A 6 -5.964 -4.155 -1.905 1.00 0.00 C ATOM 103 O ILE A 6 -5.779 -4.920 -0.961 1.00 0.00 O ATOM 104 CB ILE A 6 -7.567 -2.610 -0.789 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.913 -1.890 -0.882 1.00 0.00 C ATOM 106 CG2 ILE A 6 -6.445 -1.618 -0.555 1.00 0.00 C ATOM 107 CD1 ILE A 6 -10.096 -2.769 -0.543 1.00 0.00 C ATOM 0 H ILE A 6 -8.249 -5.272 -1.834 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.251 -2.758 -2.922 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.609 -3.294 0.058 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.904 -1.033 -0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.038 -1.501 -1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.648 -1.045 0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.503 -2.154 -0.441 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.376 -0.940 -1.406 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.016 -2.191 -0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.131 -3.613 -1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.995 -3.137 0.478 1.00 0.00 H new ATOM 119 N ALA A 7 -5.030 -3.897 -2.815 1.00 0.00 N ATOM 120 CA ALA A 7 -3.714 -4.517 -2.742 1.00 0.00 C ATOM 121 C ALA A 7 -2.642 -3.449 -2.756 1.00 0.00 C ATOM 122 O ALA A 7 -2.696 -2.528 -3.560 1.00 0.00 O ATOM 123 CB ALA A 7 -3.506 -5.503 -3.880 1.00 0.00 C ATOM 0 H ALA A 7 -5.160 -3.267 -3.606 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.647 -5.075 -1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.515 -5.949 -3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.262 -6.286 -3.826 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.592 -4.982 -4.833 1.00 0.00 H new ATOM 129 N VAL A 8 -1.680 -3.553 -1.859 1.00 0.00 N ATOM 130 CA VAL A 8 -0.623 -2.562 -1.791 1.00 0.00 C ATOM 131 C VAL A 8 0.712 -3.186 -1.415 1.00 0.00 C ATOM 132 O VAL A 8 0.767 -4.297 -0.896 1.00 0.00 O ATOM 133 CB VAL A 8 -0.967 -1.426 -0.799 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.449 -1.436 -0.444 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.113 -1.523 0.460 1.00 0.00 C ATOM 0 H VAL A 8 -1.608 -4.305 -1.174 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.536 -2.136 -2.790 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.744 -0.479 -1.290 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.661 -0.627 0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.041 -1.299 -1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.706 -2.390 0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.375 -0.713 1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.293 -2.480 0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.941 -1.445 0.192 1.00 0.00 H new ATOM 145 N GLY A 9 1.783 -2.447 -1.672 1.00 0.00 N ATOM 146 CA GLY A 9 3.111 -2.920 -1.347 1.00 0.00 C ATOM 147 C GLY A 9 3.979 -1.816 -0.773 1.00 0.00 C ATOM 148 O GLY A 9 4.295 -0.848 -1.464 1.00 0.00 O ATOM 0 H GLY A 9 1.753 -1.523 -2.103 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.040 -3.737 -0.629 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.582 -3.324 -2.243 1.00 0.00 H new ATOM 152 N ILE A 10 4.372 -1.959 0.489 1.00 0.00 N ATOM 153 CA ILE A 10 5.215 -0.956 1.135 1.00 0.00 C ATOM 154 C ILE A 10 6.623 -1.010 0.560 1.00 0.00 C ATOM 155 O ILE A 10 7.371 -1.947 0.832 1.00 0.00 O ATOM 156 CB ILE A 10 5.296 -1.132 2.675 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.610 -2.418 3.144 1.00 0.00 C ATOM 158 CG2 ILE A 10 4.687 0.071 3.378 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.739 -2.655 4.634 1.00 0.00 C ATOM 0 H ILE A 10 4.124 -2.752 1.081 1.00 0.00 H new ATOM 0 HA ILE A 10 4.752 0.010 0.936 1.00 0.00 H new ATOM 0 HB ILE A 10 6.351 -1.208 2.937 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.553 -2.375 2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.038 -3.266 2.610 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.751 -0.067 4.457 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.231 0.972 3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.641 0.172 3.087 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.231 -3.582 4.900 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.793 -2.729 4.901 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.285 -1.825 5.175 1.00 0.00 H new ATOM 171 N ILE A 11 6.976 -0.010 -0.243 1.00 0.00 N ATOM 172 CA ILE A 11 8.298 0.028 -0.863 1.00 0.00 C ATOM 173 C ILE A 11 9.377 0.327 0.165 1.00 0.00 C ATOM 174 O ILE A 11 9.287 1.299 0.910 1.00 0.00 O ATOM 175 CB ILE A 11 8.393 1.069 -1.998 1.00 0.00 C ATOM 176 CG1 ILE A 11 7.035 1.282 -2.673 1.00 0.00 C ATOM 177 CG2 ILE A 11 9.429 0.622 -3.020 1.00 0.00 C ATOM 178 CD1 ILE A 11 7.119 2.091 -3.947 1.00 0.00 C ATOM 0 H ILE A 11 6.372 0.778 -0.478 1.00 0.00 H new ATOM 0 HA ILE A 11 8.455 -0.962 -1.291 1.00 0.00 H new ATOM 0 HB ILE A 11 8.701 2.021 -1.566 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.592 0.311 -2.896 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.366 1.785 -1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.493 1.360 -3.820 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.401 0.527 -2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.136 -0.341 -3.438 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.122 2.204 -4.373 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.533 3.075 -3.727 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.763 1.578 -4.662 1.00 0.00 H new ATOM 190 N ARG A 12 10.394 -0.526 0.199 1.00 0.00 N ATOM 191 CA ARG A 12 11.498 -0.374 1.137 1.00 0.00 C ATOM 192 C ARG A 12 12.618 0.473 0.552 1.00 0.00 C ATOM 193 O ARG A 12 13.165 0.157 -0.510 1.00 0.00 O ATOM 194 CB ARG A 12 12.046 -1.739 1.544 1.00 0.00 C ATOM 195 CG ARG A 12 11.626 -2.161 2.942 1.00 0.00 C ATOM 196 CD ARG A 12 12.824 -2.298 3.870 1.00 0.00 C ATOM 197 NE ARG A 12 13.321 -3.670 3.923 1.00 0.00 N ATOM 198 CZ ARG A 12 12.752 -4.639 4.636 1.00 0.00 C ATOM 199 NH1 ARG A 12 11.667 -4.389 5.359 1.00 0.00 N ATOM 200 NH2 ARG A 12 13.269 -5.860 4.628 1.00 0.00 N ATOM 0 H ARG A 12 10.476 -1.335 -0.417 1.00 0.00 H new ATOM 0 HA ARG A 12 11.108 0.137 2.017 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.706 -2.488 0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.134 -1.717 1.490 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.931 -1.428 3.350 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.094 -3.111 2.891 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.622 -1.636 3.532 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.545 -1.975 4.873 1.00 0.00 H new ATOM 0 HE ARG A 12 14.154 -3.899 3.381 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.266 -3.451 5.370 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.234 -5.135 5.904 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.103 -6.057 4.075 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.832 -6.602 5.175 1.00 0.00 H new ATOM 214 N ASN A 13 12.945 1.541 1.274 1.00 0.00 N ATOM 215 CA ASN A 13 14.000 2.472 0.881 1.00 0.00 C ATOM 216 C ASN A 13 15.385 1.929 1.187 1.00 0.00 C ATOM 217 O ASN A 13 15.561 0.770 1.564 1.00 0.00 O ATOM 218 CB ASN A 13 13.841 3.817 1.578 1.00 0.00 C ATOM 219 CG ASN A 13 14.361 4.977 0.750 1.00 0.00 C ATOM 220 OD1 ASN A 13 14.737 4.807 -0.410 1.00 0.00 O ATOM 221 ND2 ASN A 13 14.394 6.163 1.347 1.00 0.00 N ATOM 0 H ASN A 13 12.485 1.786 2.151 1.00 0.00 H new ATOM 0 HA ASN A 13 13.901 2.602 -0.197 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.787 3.981 1.803 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.370 3.791 2.531 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.741 6.979 0.842 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.072 6.258 2.310 1.00 0.00 H new ATOM 228 N GLU A 14 16.360 2.801 1.000 1.00 0.00 N ATOM 229 CA GLU A 14 17.763 2.488 1.222 1.00 0.00 C ATOM 230 C GLU A 14 18.157 2.602 2.699 1.00 0.00 C ATOM 231 O GLU A 14 19.301 2.324 3.061 1.00 0.00 O ATOM 232 CB GLU A 14 18.614 3.441 0.379 1.00 0.00 C ATOM 233 CG GLU A 14 20.099 3.415 0.710 1.00 0.00 C ATOM 234 CD GLU A 14 20.952 4.026 -0.385 1.00 0.00 C ATOM 235 OE1 GLU A 14 21.076 3.400 -1.460 1.00 0.00 O ATOM 236 OE2 GLU A 14 21.496 5.129 -0.168 1.00 0.00 O ATOM 0 H GLU A 14 16.199 3.758 0.686 1.00 0.00 H new ATOM 0 HA GLU A 14 17.935 1.453 0.927 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.484 3.190 -0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.242 4.457 0.513 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.269 3.955 1.642 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.412 2.384 0.877 1.00 0.00 H new ATOM 243 N ASN A 15 17.223 3.019 3.548 1.00 0.00 N ATOM 244 CA ASN A 15 17.514 3.172 4.973 1.00 0.00 C ATOM 245 C ASN A 15 16.470 2.479 5.845 1.00 0.00 C ATOM 246 O ASN A 15 16.120 2.970 6.918 1.00 0.00 O ATOM 247 CB ASN A 15 17.590 4.656 5.338 1.00 0.00 C ATOM 248 CG ASN A 15 18.159 4.882 6.725 1.00 0.00 C ATOM 249 OD1 ASN A 15 19.192 4.316 7.085 1.00 0.00 O ATOM 250 ND2 ASN A 15 17.486 5.713 7.513 1.00 0.00 N ATOM 0 H ASN A 15 16.268 3.255 3.280 1.00 0.00 H new ATOM 0 HA ASN A 15 18.476 2.697 5.163 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.208 5.176 4.606 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.593 5.093 5.282 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.821 5.904 8.457 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.634 6.160 7.174 1.00 0.00 H new ATOM 257 N ASN A 16 15.977 1.334 5.384 1.00 0.00 N ATOM 258 CA ASN A 16 14.974 0.575 6.129 1.00 0.00 C ATOM 259 C ASN A 16 13.659 1.346 6.256 1.00 0.00 C ATOM 260 O ASN A 16 12.744 0.910 6.956 1.00 0.00 O ATOM 261 CB ASN A 16 15.506 0.214 7.516 1.00 0.00 C ATOM 262 CG ASN A 16 15.609 -1.285 7.724 1.00 0.00 C ATOM 263 OD1 ASN A 16 16.601 -1.783 8.256 1.00 0.00 O ATOM 264 ND2 ASN A 16 14.580 -2.013 7.304 1.00 0.00 N ATOM 0 H ASN A 16 16.254 0.910 4.499 1.00 0.00 H new ATOM 0 HA ASN A 16 14.771 -0.339 5.571 1.00 0.00 H new ATOM 0 HB2 ASN A 16 16.488 0.666 7.654 1.00 0.00 H new ATOM 0 HB3 ASN A 16 14.850 0.639 8.276 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.592 -3.027 7.417 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.778 -1.558 6.868 1.00 0.00 H new ATOM 271 N GLU A 17 13.560 2.478 5.565 1.00 0.00 N ATOM 272 CA GLU A 17 12.348 3.285 5.590 1.00 0.00 C ATOM 273 C GLU A 17 11.551 3.017 4.324 1.00 0.00 C ATOM 274 O GLU A 17 12.120 2.635 3.313 1.00 0.00 O ATOM 275 CB GLU A 17 12.693 4.773 5.700 1.00 0.00 C ATOM 276 CG GLU A 17 13.734 5.235 4.695 1.00 0.00 C ATOM 277 CD GLU A 17 14.013 6.723 4.787 1.00 0.00 C ATOM 278 OE1 GLU A 17 13.740 7.313 5.854 1.00 0.00 O ATOM 279 OE2 GLU A 17 14.503 7.298 3.792 1.00 0.00 O ATOM 0 H GLU A 17 14.306 2.856 4.981 1.00 0.00 H new ATOM 0 HA GLU A 17 11.751 3.015 6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.784 5.359 5.563 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.056 4.979 6.707 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.661 4.685 4.858 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.393 4.994 3.688 1.00 0.00 H new ATOM 286 N ILE A 18 10.240 3.190 4.377 1.00 0.00 N ATOM 287 CA ILE A 18 9.406 2.928 3.210 1.00 0.00 C ATOM 288 C ILE A 18 8.720 4.196 2.700 1.00 0.00 C ATOM 289 O ILE A 18 8.266 5.032 3.480 1.00 0.00 O ATOM 290 CB ILE A 18 8.356 1.839 3.527 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.007 0.453 3.503 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.179 1.889 2.557 1.00 0.00 C ATOM 293 CD1 ILE A 18 8.527 -0.461 4.610 1.00 0.00 C ATOM 0 H ILE A 18 9.733 3.507 5.204 1.00 0.00 H new ATOM 0 HA ILE A 18 10.062 2.569 2.417 1.00 0.00 H new ATOM 0 HB ILE A 18 7.967 2.035 4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.804 -0.018 2.541 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.088 0.567 3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.463 1.108 2.813 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.693 2.863 2.624 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.539 1.732 1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.030 -1.424 4.530 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.754 -0.012 5.577 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.450 -0.606 4.521 1.00 0.00 H new ATOM 305 N PHE A 19 8.655 4.318 1.375 1.00 0.00 N ATOM 306 CA PHE A 19 8.029 5.467 0.728 1.00 0.00 C ATOM 307 C PHE A 19 6.542 5.209 0.507 1.00 0.00 C ATOM 308 O PHE A 19 6.152 4.500 -0.422 1.00 0.00 O ATOM 309 CB PHE A 19 8.746 5.762 -0.602 1.00 0.00 C ATOM 310 CG PHE A 19 8.051 6.732 -1.531 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.959 7.488 -1.126 1.00 0.00 C ATOM 312 CD2 PHE A 19 8.505 6.877 -2.832 1.00 0.00 C ATOM 313 CE1 PHE A 19 6.340 8.360 -2.001 1.00 0.00 C ATOM 314 CE2 PHE A 19 7.888 7.747 -3.710 1.00 0.00 C ATOM 315 CZ PHE A 19 6.804 8.488 -3.294 1.00 0.00 C ATOM 0 H PHE A 19 9.032 3.628 0.725 1.00 0.00 H new ATOM 0 HA PHE A 19 8.121 6.340 1.374 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.738 6.153 -0.378 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.887 4.820 -1.132 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.589 7.393 -0.116 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.355 6.300 -3.165 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.492 8.942 -1.672 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.255 7.846 -4.721 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.318 9.168 -3.978 1.00 0.00 H new ATOM 325 N ILE A 20 5.718 5.800 1.366 1.00 0.00 N ATOM 326 CA ILE A 20 4.274 5.656 1.277 1.00 0.00 C ATOM 327 C ILE A 20 3.627 7.002 0.966 1.00 0.00 C ATOM 328 O ILE A 20 4.243 8.051 1.152 1.00 0.00 O ATOM 329 CB ILE A 20 3.670 5.102 2.587 1.00 0.00 C ATOM 330 CG1 ILE A 20 4.721 5.053 3.701 1.00 0.00 C ATOM 331 CG2 ILE A 20 3.078 3.721 2.355 1.00 0.00 C ATOM 332 CD1 ILE A 20 4.154 4.672 5.050 1.00 0.00 C ATOM 0 H ILE A 20 6.032 6.388 2.138 1.00 0.00 H new ATOM 0 HA ILE A 20 4.071 4.947 0.474 1.00 0.00 H new ATOM 0 HB ILE A 20 2.874 5.776 2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.496 4.338 3.427 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.201 6.029 3.780 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.657 3.344 3.287 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.293 3.783 1.601 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.859 3.043 2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.954 4.657 5.790 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.399 5.400 5.346 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.699 3.683 4.988 1.00 0.00 H new ATOM 344 N THR A 21 2.386 6.971 0.500 1.00 0.00 N ATOM 345 CA THR A 21 1.669 8.196 0.174 1.00 0.00 C ATOM 346 C THR A 21 1.296 8.958 1.442 1.00 0.00 C ATOM 347 O THR A 21 0.596 8.435 2.308 1.00 0.00 O ATOM 348 CB THR A 21 0.409 7.886 -0.633 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.639 7.455 0.216 1.00 0.00 O ATOM 350 CG2 THR A 21 0.616 6.816 -1.685 1.00 0.00 C ATOM 0 H THR A 21 1.856 6.114 0.340 1.00 0.00 H new ATOM 0 HA THR A 21 2.329 8.819 -0.429 1.00 0.00 H new ATOM 0 HB THR A 21 0.153 8.820 -1.134 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.290 6.806 0.862 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.318 6.646 -2.220 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.383 7.141 -2.388 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.933 5.890 -1.205 1.00 0.00 H new ATOM 358 N ARG A 22 1.769 10.195 1.543 1.00 0.00 N ATOM 359 CA ARG A 22 1.487 11.029 2.704 1.00 0.00 C ATOM 360 C ARG A 22 0.337 11.987 2.416 1.00 0.00 C ATOM 361 O ARG A 22 -0.128 12.090 1.281 1.00 0.00 O ATOM 362 CB ARG A 22 2.736 11.814 3.110 1.00 0.00 C ATOM 363 CG ARG A 22 3.439 11.249 4.335 1.00 0.00 C ATOM 364 CD ARG A 22 3.140 12.070 5.579 1.00 0.00 C ATOM 365 NE ARG A 22 3.670 13.428 5.479 1.00 0.00 N ATOM 366 CZ ARG A 22 3.461 14.376 6.390 1.00 0.00 C ATOM 367 NH1 ARG A 22 2.732 14.118 7.470 1.00 0.00 N ATOM 368 NH2 ARG A 22 3.980 15.584 6.222 1.00 0.00 N ATOM 0 H ARG A 22 2.350 10.642 0.834 1.00 0.00 H new ATOM 0 HA ARG A 22 1.195 10.378 3.528 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.435 11.826 2.274 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.456 12.849 3.307 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.123 10.218 4.494 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.515 11.229 4.161 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.062 12.112 5.735 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.569 11.577 6.451 1.00 0.00 H new ATOM 0 HE ARG A 22 4.234 13.664 4.662 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.330 13.190 7.604 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.575 14.848 8.165 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.540 15.788 5.394 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.819 16.310 6.920 1.00 0.00 H new ATOM 382 N ARG A 23 -0.116 12.689 3.451 1.00 0.00 N ATOM 383 CA ARG A 23 -1.212 13.642 3.307 1.00 0.00 C ATOM 384 C ARG A 23 -0.844 14.776 2.354 1.00 0.00 C ATOM 385 O ARG A 23 -1.704 15.566 1.966 1.00 0.00 O ATOM 386 CB ARG A 23 -1.615 14.195 4.679 1.00 0.00 C ATOM 387 CG ARG A 23 -1.961 15.681 4.697 1.00 0.00 C ATOM 388 CD ARG A 23 -2.246 16.171 6.108 1.00 0.00 C ATOM 389 NE ARG A 23 -3.558 16.803 6.215 1.00 0.00 N ATOM 390 CZ ARG A 23 -3.913 17.612 7.210 1.00 0.00 C ATOM 391 NH1 ARG A 23 -3.057 17.889 8.186 1.00 0.00 N ATOM 392 NH2 ARG A 23 -5.127 18.145 7.232 1.00 0.00 N ATOM 0 H ARG A 23 0.258 12.616 4.397 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.064 13.116 2.876 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.475 13.632 5.043 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.799 14.018 5.380 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.136 16.253 4.272 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.831 15.860 4.066 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.191 15.331 6.801 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.476 16.882 6.407 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.243 16.613 5.484 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.122 17.481 8.175 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.334 18.510 8.946 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.790 17.935 6.486 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.398 18.765 7.995 1.00 0.00 H new ATOM 406 N ALA A 24 0.431 14.850 1.980 1.00 0.00 N ATOM 407 CA ALA A 24 0.905 15.886 1.067 1.00 0.00 C ATOM 408 C ALA A 24 1.141 17.212 1.790 1.00 0.00 C ATOM 409 O ALA A 24 1.491 18.213 1.165 1.00 0.00 O ATOM 410 CB ALA A 24 -0.084 16.072 -0.074 1.00 0.00 C ATOM 0 H ALA A 24 1.155 14.204 2.296 1.00 0.00 H new ATOM 0 HA ALA A 24 1.862 15.559 0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.280 16.847 -0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.189 15.135 -0.621 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.053 16.367 0.329 1.00 0.00 H new ATOM 416 N ALA A 25 0.950 17.217 3.108 1.00 0.00 N ATOM 417 CA ALA A 25 1.145 18.424 3.907 1.00 0.00 C ATOM 418 C ALA A 25 0.395 19.612 3.310 1.00 0.00 C ATOM 419 O ALA A 25 0.819 20.759 3.451 1.00 0.00 O ATOM 420 CB ALA A 25 2.628 18.741 4.025 1.00 0.00 C ATOM 0 H ALA A 25 0.661 16.399 3.644 1.00 0.00 H new ATOM 0 HA ALA A 25 0.740 18.239 4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.761 19.643 4.623 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.141 17.908 4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.046 18.900 3.031 1.00 0.00 H new ATOM 426 N ASP A 26 -0.718 19.330 2.641 1.00 0.00 N ATOM 427 CA ASP A 26 -1.523 20.378 2.022 1.00 0.00 C ATOM 428 C ASP A 26 -2.826 20.607 2.789 1.00 0.00 C ATOM 429 O ASP A 26 -3.739 21.264 2.289 1.00 0.00 O ATOM 430 CB ASP A 26 -1.833 20.018 0.568 1.00 0.00 C ATOM 431 CG ASP A 26 -2.535 18.680 0.440 1.00 0.00 C ATOM 432 OD1 ASP A 26 -2.465 17.878 1.396 1.00 0.00 O ATOM 433 OD2 ASP A 26 -3.155 18.434 -0.615 1.00 0.00 O ATOM 0 H ASP A 26 -1.083 18.386 2.513 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.945 21.302 2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.458 20.796 0.129 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -0.905 19.994 -0.003 1.00 0.00 H new ATOM 438 N ALA A 27 -2.906 20.069 4.003 1.00 0.00 N ATOM 439 CA ALA A 27 -4.097 20.223 4.832 1.00 0.00 C ATOM 440 C ALA A 27 -5.354 19.788 4.084 1.00 0.00 C ATOM 441 O ALA A 27 -6.443 20.309 4.326 1.00 0.00 O ATOM 442 CB ALA A 27 -4.232 21.665 5.296 1.00 0.00 C ATOM 0 H ALA A 27 -2.160 19.523 4.434 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.986 19.578 5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.124 21.766 5.914 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.354 21.943 5.879 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.315 22.320 4.429 1.00 0.00 H new ATOM 448 N HIS A 28 -5.197 18.831 3.175 1.00 0.00 N ATOM 449 CA HIS A 28 -6.322 18.328 2.394 1.00 0.00 C ATOM 450 C HIS A 28 -6.873 17.041 2.999 1.00 0.00 C ATOM 451 O HIS A 28 -7.984 17.019 3.529 1.00 0.00 O ATOM 452 CB HIS A 28 -5.896 18.084 0.945 1.00 0.00 C ATOM 453 CG HIS A 28 -6.946 18.449 -0.057 1.00 0.00 C ATOM 454 ND1 HIS A 28 -6.906 18.039 -1.374 1.00 0.00 N ATOM 455 CD2 HIS A 28 -8.072 19.191 0.069 1.00 0.00 C ATOM 456 CE1 HIS A 28 -7.959 18.513 -2.014 1.00 0.00 C ATOM 457 NE2 HIS A 28 -8.683 19.215 -1.161 1.00 0.00 N ATOM 0 H HIS A 28 -4.303 18.389 2.961 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.109 19.081 2.411 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.993 18.659 0.739 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -5.639 17.032 0.823 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.424 19.674 0.969 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -8.189 18.354 -3.057 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.555 19.697 -1.380 1.00 0.00 H new ATOM 466 N MET A 29 -6.090 15.971 2.918 1.00 0.00 N ATOM 467 CA MET A 29 -6.499 14.680 3.459 1.00 0.00 C ATOM 468 C MET A 29 -5.472 14.158 4.457 1.00 0.00 C ATOM 469 O MET A 29 -4.506 13.495 4.081 1.00 0.00 O ATOM 470 CB MET A 29 -6.691 13.666 2.329 1.00 0.00 C ATOM 471 CG MET A 29 -7.631 14.145 1.235 1.00 0.00 C ATOM 472 SD MET A 29 -6.754 14.808 -0.195 1.00 0.00 S ATOM 473 CE MET A 29 -8.117 15.467 -1.151 1.00 0.00 C ATOM 0 H MET A 29 -5.168 15.972 2.483 1.00 0.00 H new ATOM 0 HA MET A 29 -7.447 14.817 3.979 1.00 0.00 H new ATOM 0 HB2 MET A 29 -5.721 13.438 1.888 1.00 0.00 H new ATOM 0 HB3 MET A 29 -7.078 12.737 2.748 1.00 0.00 H new ATOM 0 HG2 MET A 29 -8.263 13.316 0.916 1.00 0.00 H new ATOM 0 HG3 MET A 29 -8.291 14.912 1.639 1.00 0.00 H new ATOM 0 HE1 MET A 29 -7.741 15.865 -2.094 1.00 0.00 H new ATOM 0 HE2 MET A 29 -8.837 14.674 -1.353 1.00 0.00 H new ATOM 0 HE3 MET A 29 -8.604 16.264 -0.589 1.00 0.00 H new ATOM 483 N ALA A 30 -5.686 14.465 5.733 1.00 0.00 N ATOM 484 CA ALA A 30 -4.777 14.031 6.787 1.00 0.00 C ATOM 485 C ALA A 30 -5.003 12.565 7.157 1.00 0.00 C ATOM 486 O ALA A 30 -4.224 11.983 7.912 1.00 0.00 O ATOM 487 CB ALA A 30 -4.939 14.915 8.015 1.00 0.00 C ATOM 0 H ALA A 30 -6.481 15.013 6.061 1.00 0.00 H new ATOM 0 HA ALA A 30 -3.759 14.124 6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.255 14.582 8.796 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.713 15.948 7.752 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.965 14.849 8.378 1.00 0.00 H new ATOM 493 N ASN A 31 -6.070 11.972 6.629 1.00 0.00 N ATOM 494 CA ASN A 31 -6.387 10.577 6.917 1.00 0.00 C ATOM 495 C ASN A 31 -6.240 9.706 5.670 1.00 0.00 C ATOM 496 O ASN A 31 -6.877 8.660 5.559 1.00 0.00 O ATOM 497 CB ASN A 31 -7.810 10.462 7.464 1.00 0.00 C ATOM 498 CG ASN A 31 -7.970 9.293 8.416 1.00 0.00 C ATOM 499 OD1 ASN A 31 -8.189 9.477 9.613 1.00 0.00 O ATOM 500 ND2 ASN A 31 -7.861 8.080 7.886 1.00 0.00 N ATOM 0 H ASN A 31 -6.728 12.434 6.001 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.681 10.221 7.667 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.074 11.386 7.979 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.508 10.349 6.634 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.959 7.255 8.477 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.679 7.974 6.888 1.00 0.00 H new ATOM 507 N LYS A 32 -5.403 10.143 4.731 1.00 0.00 N ATOM 508 CA LYS A 32 -5.191 9.394 3.494 1.00 0.00 C ATOM 509 C LYS A 32 -3.768 8.864 3.391 1.00 0.00 C ATOM 510 O LYS A 32 -3.256 8.632 2.295 1.00 0.00 O ATOM 511 CB LYS A 32 -5.522 10.259 2.278 1.00 0.00 C ATOM 512 CG LYS A 32 -6.653 9.702 1.429 1.00 0.00 C ATOM 513 CD LYS A 32 -7.423 10.811 0.732 1.00 0.00 C ATOM 514 CE LYS A 32 -8.493 10.251 -0.191 1.00 0.00 C ATOM 515 NZ LYS A 32 -7.903 9.578 -1.382 1.00 0.00 N ATOM 0 H LYS A 32 -4.864 11.006 4.802 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.864 8.537 3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.791 11.260 2.616 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.630 10.360 1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.247 9.016 0.685 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.332 9.126 2.058 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.886 11.458 1.477 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.733 11.429 0.158 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.111 9.541 0.358 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.149 11.058 -0.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.655 9.361 -2.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.203 10.207 -1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.438 8.696 -1.087 1.00 0.00 H new ATOM 529 N LEU A 33 -3.140 8.665 4.535 1.00 0.00 N ATOM 530 CA LEU A 33 -1.775 8.151 4.578 1.00 0.00 C ATOM 531 C LEU A 33 -1.766 6.652 4.300 1.00 0.00 C ATOM 532 O LEU A 33 -1.671 5.841 5.221 1.00 0.00 O ATOM 533 CB LEU A 33 -1.144 8.438 5.941 1.00 0.00 C ATOM 534 CG LEU A 33 0.245 7.836 6.160 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.296 8.624 5.394 1.00 0.00 C ATOM 536 CD2 LEU A 33 0.581 7.799 7.643 1.00 0.00 C ATOM 0 H LEU A 33 -3.550 8.850 5.450 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.189 8.653 3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.078 9.518 6.072 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.811 8.063 6.717 1.00 0.00 H new ATOM 0 HG LEU A 33 0.240 6.814 5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.277 8.181 5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.065 8.600 4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.300 9.657 5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.573 7.368 7.781 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.567 8.812 8.045 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.155 7.190 8.168 1.00 0.00 H new ATOM 548 N GLU A 34 -1.877 6.289 3.026 1.00 0.00 N ATOM 549 CA GLU A 34 -1.897 4.885 2.633 1.00 0.00 C ATOM 550 C GLU A 34 -0.671 4.519 1.801 1.00 0.00 C ATOM 551 O GLU A 34 0.303 5.270 1.741 1.00 0.00 O ATOM 552 CB GLU A 34 -3.174 4.574 1.850 1.00 0.00 C ATOM 553 CG GLU A 34 -3.801 3.239 2.215 1.00 0.00 C ATOM 554 CD GLU A 34 -4.328 2.492 1.005 1.00 0.00 C ATOM 555 OE1 GLU A 34 -3.535 1.778 0.356 1.00 0.00 O ATOM 556 OE2 GLU A 34 -5.534 2.622 0.705 1.00 0.00 O ATOM 0 H GLU A 34 -1.954 6.946 2.250 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.877 4.285 3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.900 5.367 2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.947 4.580 0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.061 2.622 2.725 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.617 3.405 2.919 1.00 0.00 H new ATOM 563 N PHE A 35 -0.729 3.351 1.167 1.00 0.00 N ATOM 564 CA PHE A 35 0.372 2.866 0.342 1.00 0.00 C ATOM 565 C PHE A 35 -0.072 2.663 -1.107 1.00 0.00 C ATOM 566 O PHE A 35 -1.264 2.694 -1.414 1.00 0.00 O ATOM 567 CB PHE A 35 0.937 1.549 0.893 1.00 0.00 C ATOM 568 CG PHE A 35 0.605 1.276 2.337 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.702 1.046 2.737 1.00 0.00 C ATOM 570 CD2 PHE A 35 1.608 1.243 3.293 1.00 0.00 C ATOM 571 CE1 PHE A 35 -1.002 0.793 4.061 1.00 0.00 C ATOM 572 CE2 PHE A 35 1.314 0.991 4.617 1.00 0.00 C ATOM 573 CZ PHE A 35 0.008 0.766 5.001 1.00 0.00 C ATOM 0 H PHE A 35 -1.530 2.721 1.210 1.00 0.00 H new ATOM 0 HA PHE A 35 1.153 3.625 0.369 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.560 0.726 0.286 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.021 1.559 0.779 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.495 1.065 2.004 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.632 1.417 2.998 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.025 0.617 4.360 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.105 0.970 5.352 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.224 0.569 6.037 1.00 0.00 H new ATOM 583 N PRO A 36 0.895 2.452 -2.017 1.00 0.00 N ATOM 584 CA PRO A 36 0.625 2.240 -3.441 1.00 0.00 C ATOM 585 C PRO A 36 0.127 0.829 -3.748 1.00 0.00 C ATOM 586 O PRO A 36 0.222 -0.070 -2.921 1.00 0.00 O ATOM 587 CB PRO A 36 1.985 2.474 -4.093 1.00 0.00 C ATOM 588 CG PRO A 36 2.973 2.076 -3.053 1.00 0.00 C ATOM 589 CD PRO A 36 2.343 2.402 -1.723 1.00 0.00 C ATOM 0 HA PRO A 36 -0.164 2.899 -3.803 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.099 1.877 -4.998 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.112 3.517 -4.382 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.204 1.013 -3.123 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.911 2.616 -3.181 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.573 1.643 -0.976 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.704 3.353 -1.332 1.00 0.00 H new ATOM 597 N GLY A 37 -0.389 0.651 -4.958 1.00 0.00 N ATOM 598 CA GLY A 37 -0.895 -0.641 -5.390 1.00 0.00 C ATOM 599 C GLY A 37 -2.411 -0.759 -5.362 1.00 0.00 C ATOM 600 O GLY A 37 -2.961 -1.755 -5.819 1.00 0.00 O ATOM 0 H GLY A 37 -0.467 1.389 -5.658 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.546 -0.835 -6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.470 -1.416 -4.753 1.00 0.00 H new ATOM 604 N GLY A 38 -3.086 0.256 -4.852 1.00 0.00 N ATOM 605 CA GLY A 38 -4.538 0.245 -4.796 1.00 0.00 C ATOM 606 C GLY A 38 -5.182 0.213 -6.174 1.00 0.00 C ATOM 607 O GLY A 38 -4.567 0.632 -7.158 1.00 0.00 O ATOM 0 H GLY A 38 -2.653 1.097 -4.471 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.868 -0.623 -4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.883 1.129 -4.259 1.00 0.00 H new ATOM 611 N LYS A 39 -6.429 -0.280 -6.234 1.00 0.00 N ATOM 612 CA LYS A 39 -7.193 -0.373 -7.483 1.00 0.00 C ATOM 613 C LYS A 39 -7.038 -1.740 -8.144 1.00 0.00 C ATOM 614 O LYS A 39 -7.632 -1.997 -9.191 1.00 0.00 O ATOM 615 CB LYS A 39 -6.798 0.719 -8.475 1.00 0.00 C ATOM 616 CG LYS A 39 -7.765 0.836 -9.637 1.00 0.00 C ATOM 617 CD LYS A 39 -8.334 2.243 -9.750 1.00 0.00 C ATOM 618 CE LYS A 39 -9.319 2.538 -8.628 1.00 0.00 C ATOM 619 NZ LYS A 39 -8.626 2.899 -7.357 1.00 0.00 N ATOM 0 H LYS A 39 -6.934 -0.625 -5.417 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.239 -0.234 -7.209 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.746 1.675 -7.954 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.799 0.511 -8.859 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.255 0.573 -10.564 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.579 0.123 -9.508 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.521 2.969 -9.722 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.832 2.359 -10.713 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.976 3.355 -8.927 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.951 1.666 -8.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.238 3.523 -6.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.420 2.035 -6.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.736 3.391 -7.575 1.00 0.00 H new ATOM 633 N ILE A 40 -6.247 -2.614 -7.534 1.00 0.00 N ATOM 634 CA ILE A 40 -6.035 -3.952 -8.080 1.00 0.00 C ATOM 635 C ILE A 40 -7.361 -4.653 -8.330 1.00 0.00 C ATOM 636 O ILE A 40 -7.470 -5.533 -9.185 1.00 0.00 O ATOM 637 CB ILE A 40 -5.149 -4.814 -7.161 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.960 -5.412 -5.998 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.989 -3.976 -6.644 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.553 -6.826 -5.644 1.00 0.00 C ATOM 0 H ILE A 40 -5.744 -2.424 -6.667 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.514 -3.829 -9.030 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.755 -5.650 -7.739 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.843 -4.778 -5.119 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.018 -5.401 -6.260 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.362 -4.585 -5.994 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.397 -3.616 -7.485 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.376 -3.126 -6.082 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.165 -7.185 -4.817 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.697 -7.473 -6.509 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.503 -6.840 -5.351 1.00 0.00 H new ATOM 652 N GLU A 41 -8.364 -4.239 -7.569 1.00 0.00 N ATOM 653 CA GLU A 41 -9.710 -4.790 -7.670 1.00 0.00 C ATOM 654 C GLU A 41 -10.100 -5.009 -9.126 1.00 0.00 C ATOM 655 O GLU A 41 -10.326 -6.141 -9.549 1.00 0.00 O ATOM 656 CB GLU A 41 -10.707 -3.845 -6.997 1.00 0.00 C ATOM 657 CG GLU A 41 -10.407 -2.367 -7.228 1.00 0.00 C ATOM 658 CD GLU A 41 -11.465 -1.680 -8.071 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.649 -1.706 -7.674 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.110 -1.115 -9.127 1.00 0.00 O ATOM 0 H GLU A 41 -8.268 -3.510 -6.862 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.727 -5.755 -7.164 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.708 -4.065 -7.367 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.713 -4.042 -5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.330 -1.861 -6.265 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.438 -2.269 -7.718 1.00 0.00 H new ATOM 667 N MET A 42 -10.161 -3.906 -9.878 1.00 0.00 N ATOM 668 CA MET A 42 -10.507 -3.926 -11.307 1.00 0.00 C ATOM 669 C MET A 42 -11.072 -5.277 -11.756 1.00 0.00 C ATOM 670 O MET A 42 -12.287 -5.462 -11.820 1.00 0.00 O ATOM 671 CB MET A 42 -9.276 -3.564 -12.145 1.00 0.00 C ATOM 672 CG MET A 42 -9.409 -2.241 -12.875 1.00 0.00 C ATOM 673 SD MET A 42 -7.867 -1.712 -13.646 1.00 0.00 S ATOM 674 CE MET A 42 -6.739 -1.821 -12.259 1.00 0.00 C ATOM 0 H MET A 42 -9.972 -2.972 -9.515 1.00 0.00 H new ATOM 0 HA MET A 42 -11.292 -3.185 -11.462 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.402 -3.525 -11.495 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.096 -4.355 -12.873 1.00 0.00 H new ATOM 0 HG2 MET A 42 -10.181 -2.329 -13.639 1.00 0.00 H new ATOM 0 HG3 MET A 42 -9.741 -1.476 -12.173 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.814 -1.298 -12.500 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.196 -1.364 -11.381 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.520 -2.868 -12.050 1.00 0.00 H new ATOM 684 N GLY A 43 -10.181 -6.216 -12.067 1.00 0.00 N ATOM 685 CA GLY A 43 -10.610 -7.531 -12.505 1.00 0.00 C ATOM 686 C GLY A 43 -9.451 -8.458 -12.801 1.00 0.00 C ATOM 687 O GLY A 43 -9.538 -9.320 -13.675 1.00 0.00 O ATOM 0 H GLY A 43 -9.170 -6.088 -12.023 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.239 -7.978 -11.735 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.225 -7.428 -13.399 1.00 0.00 H new ATOM 691 N GLU A 44 -8.366 -8.272 -12.073 1.00 0.00 N ATOM 692 CA GLU A 44 -7.171 -9.090 -12.253 1.00 0.00 C ATOM 693 C GLU A 44 -7.221 -10.335 -11.371 1.00 0.00 C ATOM 694 O GLU A 44 -8.256 -10.646 -10.782 1.00 0.00 O ATOM 695 CB GLU A 44 -5.919 -8.268 -11.939 1.00 0.00 C ATOM 696 CG GLU A 44 -5.178 -7.792 -13.177 1.00 0.00 C ATOM 697 CD GLU A 44 -5.635 -6.422 -13.639 1.00 0.00 C ATOM 698 OE1 GLU A 44 -6.793 -6.305 -14.096 1.00 0.00 O ATOM 699 OE2 GLU A 44 -4.838 -5.466 -13.541 1.00 0.00 O ATOM 0 H GLU A 44 -8.283 -7.560 -11.347 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.133 -9.414 -13.293 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.203 -7.402 -11.341 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.243 -8.869 -11.330 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.109 -7.763 -12.967 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.325 -8.511 -13.983 1.00 0.00 H new ATOM 706 N THR A 45 -6.098 -11.045 -11.282 1.00 0.00 N ATOM 707 CA THR A 45 -6.021 -12.253 -10.473 1.00 0.00 C ATOM 708 C THR A 45 -5.073 -12.046 -9.294 1.00 0.00 C ATOM 709 O THR A 45 -4.289 -11.097 -9.280 1.00 0.00 O ATOM 710 CB THR A 45 -5.553 -13.436 -11.329 1.00 0.00 C ATOM 711 OG1 THR A 45 -5.287 -13.023 -12.659 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.562 -14.562 -11.398 1.00 0.00 C ATOM 0 H THR A 45 -5.231 -10.802 -11.761 1.00 0.00 H new ATOM 0 HA THR A 45 -7.015 -12.474 -10.084 1.00 0.00 H new ATOM 0 HB THR A 45 -4.651 -13.803 -10.840 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.421 -13.382 -12.946 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.168 -15.366 -12.019 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.755 -14.940 -10.394 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.491 -14.192 -11.831 1.00 0.00 H new ATOM 720 N PRO A 46 -5.127 -12.934 -8.287 1.00 0.00 N ATOM 721 CA PRO A 46 -4.271 -12.850 -7.103 1.00 0.00 C ATOM 722 C PRO A 46 -2.803 -12.617 -7.452 1.00 0.00 C ATOM 723 O PRO A 46 -2.037 -12.103 -6.637 1.00 0.00 O ATOM 724 CB PRO A 46 -4.449 -14.222 -6.425 1.00 0.00 C ATOM 725 CG PRO A 46 -5.213 -15.058 -7.397 1.00 0.00 C ATOM 726 CD PRO A 46 -6.019 -14.096 -8.213 1.00 0.00 C ATOM 0 HA PRO A 46 -4.548 -12.007 -6.470 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.484 -14.673 -6.195 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.989 -14.126 -5.483 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.540 -15.638 -8.028 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.858 -15.769 -6.880 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.252 -14.494 -9.200 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.968 -13.852 -7.736 1.00 0.00 H new ATOM 734 N GLU A 47 -2.410 -13.015 -8.659 1.00 0.00 N ATOM 735 CA GLU A 47 -1.027 -12.864 -9.096 1.00 0.00 C ATOM 736 C GLU A 47 -0.808 -11.593 -9.919 1.00 0.00 C ATOM 737 O GLU A 47 0.065 -10.787 -9.598 1.00 0.00 O ATOM 738 CB GLU A 47 -0.599 -14.086 -9.912 1.00 0.00 C ATOM 739 CG GLU A 47 -0.020 -15.209 -9.069 1.00 0.00 C ATOM 740 CD GLU A 47 -1.086 -15.985 -8.320 1.00 0.00 C ATOM 741 OE1 GLU A 47 -1.774 -15.379 -7.472 1.00 0.00 O ATOM 742 OE2 GLU A 47 -1.231 -17.198 -8.581 1.00 0.00 O ATOM 0 H GLU A 47 -3.028 -13.443 -9.349 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.415 -12.781 -8.198 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.460 -14.464 -10.463 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.142 -13.778 -10.650 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.536 -15.891 -9.712 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.691 -14.793 -8.355 1.00 0.00 H new ATOM 749 N GLN A 48 -1.579 -11.425 -10.992 1.00 0.00 N ATOM 750 CA GLN A 48 -1.427 -10.259 -11.859 1.00 0.00 C ATOM 751 C GLN A 48 -2.120 -9.020 -11.296 1.00 0.00 C ATOM 752 O GLN A 48 -2.013 -7.937 -11.869 1.00 0.00 O ATOM 753 CB GLN A 48 -1.954 -10.563 -13.263 1.00 0.00 C ATOM 754 CG GLN A 48 -3.429 -10.919 -13.301 1.00 0.00 C ATOM 755 CD GLN A 48 -3.825 -11.628 -14.581 1.00 0.00 C ATOM 756 OE1 GLN A 48 -3.807 -12.856 -14.655 1.00 0.00 O ATOM 757 NE2 GLN A 48 -4.184 -10.855 -15.599 1.00 0.00 N ATOM 0 H GLN A 48 -2.310 -12.076 -11.280 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.361 -10.040 -11.912 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.783 -9.696 -13.901 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.380 -11.388 -13.686 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.667 -11.555 -12.449 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.021 -10.010 -13.195 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.184 -9.840 -15.494 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.459 -11.276 -16.486 1.00 0.00 H new ATOM 766 N ALA A 49 -2.829 -9.170 -10.183 1.00 0.00 N ATOM 767 CA ALA A 49 -3.522 -8.037 -9.583 1.00 0.00 C ATOM 768 C ALA A 49 -2.532 -6.967 -9.147 1.00 0.00 C ATOM 769 O ALA A 49 -2.606 -5.822 -9.592 1.00 0.00 O ATOM 770 CB ALA A 49 -4.362 -8.498 -8.401 1.00 0.00 C ATOM 0 H ALA A 49 -2.938 -10.053 -9.684 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.183 -7.603 -10.333 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.874 -7.641 -7.962 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.099 -9.226 -8.740 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.716 -8.957 -7.652 1.00 0.00 H new ATOM 776 N VAL A 50 -1.601 -7.346 -8.280 1.00 0.00 N ATOM 777 CA VAL A 50 -0.590 -6.412 -7.795 1.00 0.00 C ATOM 778 C VAL A 50 0.531 -6.228 -8.815 1.00 0.00 C ATOM 779 O VAL A 50 0.972 -5.112 -9.070 1.00 0.00 O ATOM 780 CB VAL A 50 0.018 -6.847 -6.435 1.00 0.00 C ATOM 781 CG1 VAL A 50 -0.974 -7.674 -5.628 1.00 0.00 C ATOM 782 CG2 VAL A 50 1.324 -7.612 -6.629 1.00 0.00 C ATOM 0 H VAL A 50 -1.524 -8.289 -7.899 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.104 -5.462 -7.648 1.00 0.00 H new ATOM 0 HB VAL A 50 0.240 -5.940 -5.873 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.520 -7.964 -4.681 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.869 -7.082 -5.435 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.244 -8.568 -6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.724 -7.902 -5.657 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.137 -8.505 -7.226 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.045 -6.976 -7.143 1.00 0.00 H new ATOM 792 N VAL A 51 1.006 -7.340 -9.369 1.00 0.00 N ATOM 793 CA VAL A 51 2.098 -7.316 -10.335 1.00 0.00 C ATOM 794 C VAL A 51 1.808 -6.367 -11.490 1.00 0.00 C ATOM 795 O VAL A 51 2.699 -5.661 -11.961 1.00 0.00 O ATOM 796 CB VAL A 51 2.386 -8.724 -10.897 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.574 -8.692 -11.850 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.633 -9.711 -9.765 1.00 0.00 C ATOM 0 H VAL A 51 0.649 -8.273 -9.163 1.00 0.00 H new ATOM 0 HA VAL A 51 2.977 -6.959 -9.798 1.00 0.00 H new ATOM 0 HB VAL A 51 1.510 -9.054 -11.456 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.759 -9.695 -12.234 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.357 -8.020 -12.680 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.457 -8.338 -11.318 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.834 -10.698 -10.181 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.490 -9.383 -9.177 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.752 -9.759 -9.126 1.00 0.00 H new ATOM 808 N ARG A 52 0.565 -6.356 -11.946 1.00 0.00 N ATOM 809 CA ARG A 52 0.179 -5.490 -13.050 1.00 0.00 C ATOM 810 C ARG A 52 -0.016 -4.053 -12.582 1.00 0.00 C ATOM 811 O ARG A 52 0.415 -3.109 -13.245 1.00 0.00 O ATOM 812 CB ARG A 52 -1.098 -6.002 -13.717 1.00 0.00 C ATOM 813 CG ARG A 52 -0.954 -7.386 -14.328 1.00 0.00 C ATOM 814 CD ARG A 52 -0.028 -7.371 -15.536 1.00 0.00 C ATOM 815 NE ARG A 52 -0.709 -6.913 -16.745 1.00 0.00 N ATOM 816 CZ ARG A 52 -0.772 -5.639 -17.129 1.00 0.00 C ATOM 817 NH1 ARG A 52 -0.207 -4.685 -16.398 1.00 0.00 N ATOM 818 NH2 ARG A 52 -1.406 -5.316 -18.247 1.00 0.00 N ATOM 0 H ARG A 52 -0.189 -6.932 -11.572 1.00 0.00 H new ATOM 0 HA ARG A 52 0.988 -5.505 -13.780 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.900 -6.022 -12.979 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.398 -5.300 -14.495 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.565 -8.076 -13.579 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.935 -7.757 -14.625 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.823 -6.721 -15.332 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.368 -8.373 -15.701 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.164 -7.612 -17.331 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.280 -4.925 -15.535 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.260 -3.712 -16.700 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.845 -6.043 -18.812 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.455 -4.341 -18.542 1.00 0.00 H new ATOM 832 N GLU A 53 -0.667 -3.895 -11.438 1.00 0.00 N ATOM 833 CA GLU A 53 -0.921 -2.576 -10.879 1.00 0.00 C ATOM 834 C GLU A 53 0.351 -1.978 -10.286 1.00 0.00 C ATOM 835 O GLU A 53 0.444 -0.767 -10.097 1.00 0.00 O ATOM 836 CB GLU A 53 -2.008 -2.658 -9.807 1.00 0.00 C ATOM 837 CG GLU A 53 -3.387 -2.271 -10.313 1.00 0.00 C ATOM 838 CD GLU A 53 -3.598 -0.771 -10.336 1.00 0.00 C ATOM 839 OE1 GLU A 53 -2.934 -0.068 -9.546 1.00 0.00 O ATOM 840 OE2 GLU A 53 -4.426 -0.298 -11.142 1.00 0.00 O ATOM 0 H GLU A 53 -1.029 -4.667 -10.878 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.261 -1.926 -11.686 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.045 -3.675 -9.415 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.738 -2.006 -8.976 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.527 -2.669 -11.318 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.145 -2.731 -9.679 1.00 0.00 H new ATOM 847 N LEU A 54 1.329 -2.831 -9.991 1.00 0.00 N ATOM 848 CA LEU A 54 2.584 -2.371 -9.417 1.00 0.00 C ATOM 849 C LEU A 54 3.276 -1.401 -10.360 1.00 0.00 C ATOM 850 O LEU A 54 3.744 -0.349 -9.941 1.00 0.00 O ATOM 851 CB LEU A 54 3.505 -3.554 -9.116 1.00 0.00 C ATOM 852 CG LEU A 54 3.899 -3.706 -7.647 1.00 0.00 C ATOM 853 CD1 LEU A 54 2.669 -3.642 -6.751 1.00 0.00 C ATOM 854 CD2 LEU A 54 4.653 -5.010 -7.438 1.00 0.00 C ATOM 0 H LEU A 54 1.274 -3.839 -10.140 1.00 0.00 H new ATOM 0 HA LEU A 54 2.361 -1.856 -8.483 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.013 -4.471 -9.442 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.412 -3.450 -9.711 1.00 0.00 H new ATOM 0 HG LEU A 54 4.556 -2.880 -7.375 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.971 -3.752 -5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.171 -2.682 -6.885 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.983 -4.446 -7.017 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.928 -5.107 -6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.018 -5.848 -7.725 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.554 -5.011 -8.051 1.00 0.00 H new ATOM 866 N GLN A 55 3.314 -1.745 -11.641 1.00 0.00 N ATOM 867 CA GLN A 55 3.931 -0.875 -12.631 1.00 0.00 C ATOM 868 C GLN A 55 3.190 0.453 -12.663 1.00 0.00 C ATOM 869 O GLN A 55 3.791 1.514 -12.840 1.00 0.00 O ATOM 870 CB GLN A 55 3.903 -1.535 -14.012 1.00 0.00 C ATOM 871 CG GLN A 55 5.243 -1.501 -14.729 1.00 0.00 C ATOM 872 CD GLN A 55 5.528 -2.780 -15.492 1.00 0.00 C ATOM 873 OE1 GLN A 55 6.624 -3.333 -15.411 1.00 0.00 O ATOM 874 NE2 GLN A 55 4.539 -3.254 -16.240 1.00 0.00 N ATOM 0 H GLN A 55 2.929 -2.612 -12.015 1.00 0.00 H new ATOM 0 HA GLN A 55 4.972 -0.700 -12.359 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.584 -2.572 -13.904 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.157 -1.035 -14.630 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.260 -0.658 -15.420 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.036 -1.332 -14.001 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.646 -2.762 -16.277 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.672 -4.110 -16.778 1.00 0.00 H new ATOM 883 N GLU A 56 1.878 0.380 -12.473 1.00 0.00 N ATOM 884 CA GLU A 56 1.037 1.567 -12.461 1.00 0.00 C ATOM 885 C GLU A 56 1.153 2.306 -11.141 1.00 0.00 C ATOM 886 O GLU A 56 0.940 3.517 -11.078 1.00 0.00 O ATOM 887 CB GLU A 56 -0.424 1.188 -12.684 1.00 0.00 C ATOM 888 CG GLU A 56 -1.360 2.384 -12.765 1.00 0.00 C ATOM 889 CD GLU A 56 -2.617 2.200 -11.936 1.00 0.00 C ATOM 890 OE1 GLU A 56 -3.596 1.632 -12.464 1.00 0.00 O ATOM 891 OE2 GLU A 56 -2.623 2.624 -10.761 1.00 0.00 O ATOM 0 H GLU A 56 1.373 -0.494 -12.325 1.00 0.00 H new ATOM 0 HA GLU A 56 1.378 2.217 -13.267 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.504 0.612 -13.606 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.749 0.537 -11.872 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.833 3.276 -12.426 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.637 2.554 -13.805 1.00 0.00 H new ATOM 898 N GLU A 57 1.457 1.574 -10.074 1.00 0.00 N ATOM 899 CA GLU A 57 1.554 2.186 -8.762 1.00 0.00 C ATOM 900 C GLU A 57 3.002 2.342 -8.297 1.00 0.00 C ATOM 901 O GLU A 57 3.256 2.782 -7.177 1.00 0.00 O ATOM 902 CB GLU A 57 0.756 1.371 -7.748 1.00 0.00 C ATOM 903 CG GLU A 57 -0.740 1.373 -8.025 1.00 0.00 C ATOM 904 CD GLU A 57 -1.456 2.527 -7.354 1.00 0.00 C ATOM 905 OE1 GLU A 57 -0.897 3.087 -6.387 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.575 2.868 -7.788 1.00 0.00 O ATOM 0 H GLU A 57 1.637 0.570 -10.094 1.00 0.00 H new ATOM 0 HA GLU A 57 1.134 3.189 -8.838 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.119 0.343 -7.751 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.935 1.769 -6.749 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.906 1.424 -9.101 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.171 0.433 -7.680 1.00 0.00 H new ATOM 913 N VAL A 58 3.946 2.006 -9.170 1.00 0.00 N ATOM 914 CA VAL A 58 5.362 2.140 -8.854 1.00 0.00 C ATOM 915 C VAL A 58 6.087 2.774 -10.029 1.00 0.00 C ATOM 916 O VAL A 58 6.897 3.685 -9.862 1.00 0.00 O ATOM 917 CB VAL A 58 5.999 0.767 -8.515 1.00 0.00 C ATOM 918 CG1 VAL A 58 7.508 0.777 -8.722 1.00 0.00 C ATOM 919 CG2 VAL A 58 5.669 0.369 -7.087 1.00 0.00 C ATOM 0 H VAL A 58 3.755 1.639 -10.102 1.00 0.00 H new ATOM 0 HA VAL A 58 5.458 2.778 -7.975 1.00 0.00 H new ATOM 0 HB VAL A 58 5.575 0.032 -9.199 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.916 -0.203 -8.474 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.731 1.010 -9.763 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.959 1.532 -8.077 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.123 -0.597 -6.864 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.059 1.120 -6.400 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.588 0.297 -6.970 1.00 0.00 H new ATOM 929 N GLY A 59 5.770 2.286 -11.224 1.00 0.00 N ATOM 930 CA GLY A 59 6.369 2.801 -12.436 1.00 0.00 C ATOM 931 C GLY A 59 7.850 2.511 -12.564 1.00 0.00 C ATOM 932 O GLY A 59 8.343 2.223 -13.655 1.00 0.00 O ATOM 0 H GLY A 59 5.099 1.532 -11.372 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.850 2.375 -13.295 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.216 3.880 -12.475 1.00 0.00 H new ATOM 936 N ILE A 60 8.555 2.601 -11.458 1.00 0.00 N ATOM 937 CA ILE A 60 9.978 2.367 -11.424 1.00 0.00 C ATOM 938 C ILE A 60 10.299 0.883 -11.347 1.00 0.00 C ATOM 939 O ILE A 60 9.405 0.038 -11.393 1.00 0.00 O ATOM 940 CB ILE A 60 10.599 3.069 -10.213 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.908 2.626 -8.925 1.00 0.00 C ATOM 942 CG2 ILE A 60 10.536 4.578 -10.374 1.00 0.00 C ATOM 943 CD1 ILE A 60 10.702 2.942 -7.675 1.00 0.00 C ATOM 0 H ILE A 60 8.152 2.840 -10.552 1.00 0.00 H new ATOM 0 HA ILE A 60 10.396 2.768 -12.347 1.00 0.00 H new ATOM 0 HB ILE A 60 11.649 2.783 -10.151 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.934 3.110 -8.859 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.728 1.552 -8.970 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.983 5.056 -9.502 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.084 4.872 -11.269 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.496 4.891 -10.466 1.00 0.00 H new ATOM 0 HD11 ILE A 60 10.152 2.600 -6.798 1.00 0.00 H new ATOM 0 HD12 ILE A 60 11.666 2.436 -7.719 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.860 4.018 -7.607 1.00 0.00 H new ATOM 955 N THR A 61 11.585 0.576 -11.232 1.00 0.00 N ATOM 956 CA THR A 61 12.041 -0.791 -11.147 1.00 0.00 C ATOM 957 C THR A 61 12.694 -1.048 -9.794 1.00 0.00 C ATOM 958 O THR A 61 13.899 -0.856 -9.635 1.00 0.00 O ATOM 959 CB THR A 61 13.051 -1.025 -12.257 1.00 0.00 C ATOM 960 OG1 THR A 61 13.715 0.184 -12.585 1.00 0.00 O ATOM 961 CG2 THR A 61 12.433 -1.563 -13.525 1.00 0.00 C ATOM 0 H THR A 61 12.332 1.269 -11.196 1.00 0.00 H new ATOM 0 HA THR A 61 11.195 -1.470 -11.254 1.00 0.00 H new ATOM 0 HB THR A 61 13.745 -1.770 -11.867 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.364 0.017 -13.300 1.00 0.00 H new ATOM 0 HG21 THR A 61 13.210 -1.707 -14.276 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.948 -2.517 -13.317 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.694 -0.854 -13.899 1.00 0.00 H new ATOM 969 N PRO A 62 11.904 -1.445 -8.785 1.00 0.00 N ATOM 970 CA PRO A 62 12.384 -1.681 -7.443 1.00 0.00 C ATOM 971 C PRO A 62 12.388 -3.147 -7.041 1.00 0.00 C ATOM 972 O PRO A 62 11.565 -3.930 -7.515 1.00 0.00 O ATOM 973 CB PRO A 62 11.297 -0.958 -6.664 1.00 0.00 C ATOM 974 CG PRO A 62 10.037 -1.305 -7.403 1.00 0.00 C ATOM 975 CD PRO A 62 10.448 -1.642 -8.823 1.00 0.00 C ATOM 0 HA PRO A 62 13.415 -1.360 -7.293 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.258 -1.292 -5.627 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.467 0.119 -6.646 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.533 -2.150 -6.934 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.337 -0.469 -7.390 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.183 -2.665 -9.091 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.968 -0.988 -9.551 1.00 0.00 H new ATOM 983 N GLN A 63 13.267 -3.502 -6.110 1.00 0.00 N ATOM 984 CA GLN A 63 13.290 -4.859 -5.605 1.00 0.00 C ATOM 985 C GLN A 63 12.091 -4.989 -4.686 1.00 0.00 C ATOM 986 O GLN A 63 12.194 -4.859 -3.466 1.00 0.00 O ATOM 987 CB GLN A 63 14.589 -5.143 -4.846 1.00 0.00 C ATOM 988 CG GLN A 63 15.819 -5.178 -5.738 1.00 0.00 C ATOM 989 CD GLN A 63 17.109 -5.277 -4.946 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.099 -5.259 -3.715 1.00 0.00 O ATOM 991 NE2 GLN A 63 18.229 -5.382 -5.652 1.00 0.00 N ATOM 0 H GLN A 63 13.960 -2.877 -5.699 1.00 0.00 H new ATOM 0 HA GLN A 63 13.245 -5.580 -6.421 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.727 -4.379 -4.080 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.497 -6.099 -4.330 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.747 -6.028 -6.417 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.843 -4.279 -6.354 1.00 0.00 H new ATOM 0 HE21 GLN A 63 18.190 -5.393 -6.671 1.00 0.00 H new ATOM 0 HE22 GLN A 63 19.128 -5.452 -5.175 1.00 0.00 H new ATOM 1000 N HIS A 64 10.943 -5.188 -5.310 1.00 0.00 N ATOM 1001 CA HIS A 64 9.675 -5.273 -4.609 1.00 0.00 C ATOM 1002 C HIS A 64 8.955 -6.559 -4.977 1.00 0.00 C ATOM 1003 O HIS A 64 8.787 -6.863 -6.158 1.00 0.00 O ATOM 1004 CB HIS A 64 8.847 -4.045 -5.002 1.00 0.00 C ATOM 1005 CG HIS A 64 7.367 -4.183 -4.798 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.806 -5.057 -3.893 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.331 -3.538 -5.383 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.491 -4.945 -3.932 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.175 -4.028 -4.826 1.00 0.00 N ATOM 0 H HIS A 64 10.865 -5.296 -6.321 1.00 0.00 H new ATOM 0 HA HIS A 64 9.830 -5.288 -3.530 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.199 -3.189 -4.426 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.034 -3.821 -6.052 1.00 0.00 H new ATOM 0 HD1 HIS A 64 7.326 -5.692 -3.287 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.400 -2.778 -6.147 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.792 -5.509 -3.333 1.00 0.00 H new ATOM 1018 N PHE A 65 8.549 -7.330 -3.972 1.00 0.00 N ATOM 1019 CA PHE A 65 7.879 -8.591 -4.237 1.00 0.00 C ATOM 1020 C PHE A 65 7.445 -9.304 -2.956 1.00 0.00 C ATOM 1021 O PHE A 65 7.988 -9.063 -1.880 1.00 0.00 O ATOM 1022 CB PHE A 65 8.836 -9.479 -5.007 1.00 0.00 C ATOM 1023 CG PHE A 65 8.162 -10.417 -5.967 1.00 0.00 C ATOM 1024 CD1 PHE A 65 7.250 -9.938 -6.894 1.00 0.00 C ATOM 1025 CD2 PHE A 65 8.438 -11.775 -5.944 1.00 0.00 C ATOM 1026 CE1 PHE A 65 6.625 -10.795 -7.780 1.00 0.00 C ATOM 1027 CE2 PHE A 65 7.816 -12.637 -6.828 1.00 0.00 C ATOM 1028 CZ PHE A 65 6.908 -12.145 -7.746 1.00 0.00 C ATOM 0 H PHE A 65 8.671 -7.106 -2.984 1.00 0.00 H new ATOM 0 HA PHE A 65 6.975 -8.385 -4.810 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.534 -8.850 -5.559 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.424 -10.062 -4.298 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.025 -8.882 -6.924 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.147 -12.164 -5.228 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.916 -10.409 -8.498 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.039 -13.693 -6.801 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.420 -12.817 -8.437 1.00 0.00 H new ATOM 1038 N SER A 66 6.471 -10.206 -3.094 1.00 0.00 N ATOM 1039 CA SER A 66 5.955 -10.987 -1.966 1.00 0.00 C ATOM 1040 C SER A 66 5.000 -10.159 -1.109 1.00 0.00 C ATOM 1041 O SER A 66 4.575 -9.077 -1.511 1.00 0.00 O ATOM 1042 CB SER A 66 7.103 -11.530 -1.108 1.00 0.00 C ATOM 1043 OG SER A 66 7.042 -12.942 -1.010 1.00 0.00 O ATOM 0 H SER A 66 6.020 -10.415 -3.984 1.00 0.00 H new ATOM 0 HA SER A 66 5.399 -11.830 -2.377 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.058 -11.233 -1.542 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.056 -11.091 -0.112 1.00 0.00 H new ATOM 0 HG SER A 66 7.786 -13.264 -0.459 1.00 0.00 H new ATOM 1049 N LEU A 67 4.657 -10.680 0.069 1.00 0.00 N ATOM 1050 CA LEU A 67 3.741 -9.986 0.971 1.00 0.00 C ATOM 1051 C LEU A 67 4.115 -10.197 2.430 1.00 0.00 C ATOM 1052 O LEU A 67 4.442 -11.312 2.838 1.00 0.00 O ATOM 1053 CB LEU A 67 2.306 -10.457 0.731 1.00 0.00 C ATOM 1054 CG LEU A 67 2.138 -11.971 0.585 1.00 0.00 C ATOM 1055 CD1 LEU A 67 0.852 -12.434 1.254 1.00 0.00 C ATOM 1056 CD2 LEU A 67 2.148 -12.368 -0.883 1.00 0.00 C ATOM 0 H LEU A 67 4.998 -11.575 0.419 1.00 0.00 H new ATOM 0 HA LEU A 67 3.817 -8.920 0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.684 -10.116 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.928 -9.976 -0.171 1.00 0.00 H new ATOM 0 HG LEU A 67 2.977 -12.459 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.750 -13.513 1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.883 -12.183 2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.001 -11.938 0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.027 -13.448 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.328 -11.869 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.095 -12.072 -1.334 1.00 0.00 H new ATOM 1068 N PHE A 68 4.049 -9.126 3.222 1.00 0.00 N ATOM 1069 CA PHE A 68 4.368 -9.233 4.636 1.00 0.00 C ATOM 1070 C PHE A 68 3.196 -9.884 5.372 1.00 0.00 C ATOM 1071 O PHE A 68 3.385 -10.759 6.217 1.00 0.00 O ATOM 1072 CB PHE A 68 4.748 -7.870 5.244 1.00 0.00 C ATOM 1073 CG PHE A 68 3.620 -6.889 5.431 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.598 -7.134 6.333 1.00 0.00 C ATOM 1075 CD2 PHE A 68 3.605 -5.697 4.725 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.586 -6.216 6.526 1.00 0.00 C ATOM 1077 CE2 PHE A 68 2.594 -4.777 4.910 1.00 0.00 C ATOM 1078 CZ PHE A 68 1.583 -5.038 5.813 1.00 0.00 C ATOM 0 H PHE A 68 3.782 -8.192 2.911 1.00 0.00 H new ATOM 0 HA PHE A 68 5.247 -9.867 4.751 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.214 -8.045 6.213 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.502 -7.408 4.606 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.593 -8.057 6.894 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.396 -5.485 4.020 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.798 -6.421 7.235 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.593 -3.854 4.349 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.791 -4.319 5.960 1.00 0.00 H new ATOM 1088 N GLU A 69 1.983 -9.475 5.002 1.00 0.00 N ATOM 1089 CA GLU A 69 0.754 -10.030 5.571 1.00 0.00 C ATOM 1090 C GLU A 69 -0.451 -9.505 4.801 1.00 0.00 C ATOM 1091 O GLU A 69 -0.564 -8.305 4.562 1.00 0.00 O ATOM 1092 CB GLU A 69 0.615 -9.696 7.061 1.00 0.00 C ATOM 1093 CG GLU A 69 0.962 -10.857 7.977 1.00 0.00 C ATOM 1094 CD GLU A 69 1.485 -10.399 9.325 1.00 0.00 C ATOM 1095 OE1 GLU A 69 1.254 -9.226 9.685 1.00 0.00 O ATOM 1096 OE2 GLU A 69 2.125 -11.214 10.022 1.00 0.00 O ATOM 0 H GLU A 69 1.824 -8.751 4.301 1.00 0.00 H new ATOM 0 HA GLU A 69 0.802 -11.115 5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.262 -8.851 7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.409 -9.380 7.260 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.077 -11.475 8.126 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.711 -11.484 7.495 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.349 -10.399 4.407 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.533 -9.999 3.654 1.00 0.00 C ATOM 1105 C LYS A 70 -3.805 -10.223 4.466 1.00 0.00 C ATOM 1106 O LYS A 70 -4.104 -11.346 4.873 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.612 -10.776 2.339 1.00 0.00 C ATOM 1108 CG LYS A 70 -2.474 -12.279 2.513 1.00 0.00 C ATOM 1109 CD LYS A 70 -3.340 -13.037 1.519 1.00 0.00 C ATOM 1110 CE LYS A 70 -4.813 -12.953 1.885 1.00 0.00 C ATOM 1111 NZ LYS A 70 -5.490 -11.811 1.209 1.00 0.00 N ATOM 0 H LYS A 70 -1.282 -11.399 4.594 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.448 -8.934 3.438 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.565 -10.560 1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.828 -10.422 1.670 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.431 -12.567 2.382 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.756 -12.556 3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.189 -12.630 0.519 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.031 -14.082 1.488 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.309 -13.884 1.609 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.913 -12.846 2.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.402 -12.128 0.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.652 -11.048 1.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.889 -11.459 0.436 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.551 -9.148 4.696 1.00 0.00 N ATOM 1126 CA LEU A 71 -5.791 -9.225 5.455 1.00 0.00 C ATOM 1127 C LEU A 71 -7.004 -9.134 4.533 1.00 0.00 C ATOM 1128 O LEU A 71 -7.161 -8.163 3.792 1.00 0.00 O ATOM 1129 CB LEU A 71 -5.842 -8.104 6.493 1.00 0.00 C ATOM 1130 CG LEU A 71 -6.422 -8.511 7.843 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -5.909 -7.597 8.944 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -7.941 -8.493 7.792 1.00 0.00 C ATOM 0 H LEU A 71 -4.317 -8.212 4.366 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.818 -10.189 5.964 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.832 -7.724 6.647 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.435 -7.282 6.091 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.097 -9.527 8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.334 -7.904 9.899 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.822 -7.661 8.993 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.202 -6.569 8.730 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.341 -8.786 8.763 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.285 -7.488 7.546 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.288 -9.192 7.031 1.00 0.00 H new ATOM 1144 N GLU A 72 -7.858 -10.152 4.578 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.050 -10.184 3.742 1.00 0.00 C ATOM 1146 C GLU A 72 -10.291 -10.516 4.571 1.00 0.00 C ATOM 1147 O GLU A 72 -10.428 -11.627 5.085 1.00 0.00 O ATOM 1148 CB GLU A 72 -8.865 -11.212 2.618 1.00 0.00 C ATOM 1149 CG GLU A 72 -10.168 -11.706 2.012 1.00 0.00 C ATOM 1150 CD GLU A 72 -9.967 -12.389 0.673 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -8.868 -12.937 0.445 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -10.909 -12.377 -0.147 1.00 0.00 O ATOM 0 H GLU A 72 -7.746 -10.964 5.184 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.195 -9.197 3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.255 -10.769 1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.311 -12.066 3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.645 -12.402 2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.849 -10.864 1.887 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.198 -9.550 4.683 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.434 -9.743 5.436 1.00 0.00 C ATOM 1161 C TYR A 73 -13.611 -9.070 4.735 1.00 0.00 C ATOM 1162 O TYR A 73 -13.436 -8.101 3.996 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.300 -9.214 6.870 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.490 -7.938 7.009 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -11.423 -7.004 5.982 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -10.798 -7.669 8.184 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -10.688 -5.841 6.120 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -10.062 -6.509 8.329 1.00 0.00 C ATOM 1169 CZ TYR A 73 -10.009 -5.599 7.295 1.00 0.00 C ATOM 1170 OH TYR A 73 -9.277 -4.443 7.436 1.00 0.00 O ATOM 0 H TYR A 73 -11.101 -8.626 4.262 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.624 -10.815 5.483 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.298 -9.039 7.271 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.840 -9.987 7.485 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -11.954 -7.190 5.060 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -10.836 -8.379 8.997 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -10.646 -5.126 5.312 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.530 -6.316 9.249 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.684 -3.731 6.900 1.00 0.00 H new ATOM 1180 N GLU A 74 -14.813 -9.589 4.967 1.00 0.00 N ATOM 1181 CA GLU A 74 -16.009 -9.024 4.351 1.00 0.00 C ATOM 1182 C GLU A 74 -17.011 -8.573 5.406 1.00 0.00 C ATOM 1183 O GLU A 74 -17.389 -9.334 6.297 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.672 -10.021 3.397 1.00 0.00 C ATOM 1185 CG GLU A 74 -16.614 -11.464 3.869 1.00 0.00 C ATOM 1186 CD GLU A 74 -16.684 -12.456 2.724 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -17.777 -12.612 2.140 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -15.646 -13.076 2.412 1.00 0.00 O ATOM 0 H GLU A 74 -14.984 -10.393 5.571 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.691 -8.155 3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.715 -9.737 3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.191 -9.949 2.422 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.691 -11.623 4.427 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.438 -11.651 4.557 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.429 -7.323 5.288 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.380 -6.726 6.204 1.00 0.00 C ATOM 1197 C PHE A 75 -19.795 -6.802 5.633 1.00 0.00 C ATOM 1198 O PHE A 75 -19.975 -7.030 4.438 1.00 0.00 O ATOM 1199 CB PHE A 75 -17.993 -5.276 6.466 1.00 0.00 C ATOM 1200 CG PHE A 75 -17.159 -5.081 7.702 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -17.459 -5.751 8.879 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -16.072 -4.224 7.683 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -16.688 -5.568 10.012 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -15.298 -4.037 8.813 1.00 0.00 C ATOM 1205 CZ PHE A 75 -15.607 -4.710 9.978 1.00 0.00 C ATOM 0 H PHE A 75 -17.115 -6.693 4.550 1.00 0.00 H new ATOM 0 HA PHE A 75 -18.362 -7.278 7.144 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.443 -4.896 5.605 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.900 -4.678 6.554 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -18.304 -6.423 8.911 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -15.826 -3.695 6.774 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -16.931 -6.096 10.922 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -14.453 -3.365 8.784 1.00 0.00 H new ATOM 0 HZ PHE A 75 -15.004 -4.565 10.862 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.818 -6.610 6.485 1.00 0.00 N ATOM 1216 CA PRO A 76 -22.223 -6.652 6.069 1.00 0.00 C ATOM 1217 C PRO A 76 -22.506 -5.720 4.897 1.00 0.00 C ATOM 1218 O PRO A 76 -22.984 -4.601 5.083 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.993 -6.195 7.317 1.00 0.00 C ATOM 1220 CG PRO A 76 -21.964 -5.599 8.218 1.00 0.00 C ATOM 1221 CD PRO A 76 -20.687 -6.322 7.912 1.00 0.00 C ATOM 0 HA PRO A 76 -22.510 -7.645 5.723 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.761 -5.465 7.060 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -23.498 -7.034 7.797 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -21.860 -4.529 8.039 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -22.242 -5.722 9.265 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -19.812 -5.707 8.123 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -20.586 -7.233 8.502 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.200 -6.201 3.695 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.406 -5.446 2.453 1.00 0.00 C ATOM 1231 C ASP A 77 -21.147 -4.677 2.048 1.00 0.00 C ATOM 1232 O ASP A 77 -21.180 -3.872 1.120 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.588 -4.478 2.578 1.00 0.00 C ATOM 1234 CG ASP A 77 -24.203 -4.139 1.235 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -23.538 -3.449 0.434 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -25.351 -4.563 0.984 1.00 0.00 O ATOM 0 H ASP A 77 -21.801 -7.128 3.550 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.632 -6.174 1.674 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -24.349 -4.919 3.222 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.253 -3.561 3.063 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.040 -4.931 2.739 1.00 0.00 N ATOM 1242 CA ARG A 78 -18.780 -4.263 2.434 1.00 0.00 C ATOM 1243 C ARG A 78 -17.618 -5.253 2.478 1.00 0.00 C ATOM 1244 O ARG A 78 -17.050 -5.505 3.538 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.536 -3.116 3.418 1.00 0.00 C ATOM 1246 CG ARG A 78 -18.082 -1.826 2.751 1.00 0.00 C ATOM 1247 CD ARG A 78 -18.353 -0.616 3.632 1.00 0.00 C ATOM 1248 NE ARG A 78 -17.165 -0.192 4.378 1.00 0.00 N ATOM 1249 CZ ARG A 78 -16.848 -0.636 5.596 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -17.602 -1.547 6.196 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -15.766 -0.171 6.213 1.00 0.00 N ATOM 0 H ARG A 78 -19.990 -5.594 3.513 1.00 0.00 H new ATOM 0 HA ARG A 78 -18.844 -3.854 1.426 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.454 -2.924 3.974 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -17.783 -3.425 4.143 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -17.016 -1.885 2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.598 -1.707 1.799 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -18.704 0.210 3.013 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -19.154 -0.852 4.333 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.541 0.485 3.939 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -18.430 -1.913 5.727 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -17.354 -1.882 7.127 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.178 0.525 5.755 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.524 -0.511 7.144 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.268 -5.815 1.323 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.177 -6.779 1.248 1.00 0.00 C ATOM 1267 C HIS A 79 -14.862 -6.093 0.904 1.00 0.00 C ATOM 1268 O HIS A 79 -14.560 -5.861 -0.265 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.489 -7.858 0.209 1.00 0.00 C ATOM 1270 CG HIS A 79 -15.530 -9.008 0.234 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -15.839 -10.257 -0.262 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -14.261 -9.093 0.699 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -14.804 -11.061 -0.101 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -13.833 -10.379 0.478 1.00 0.00 N ATOM 0 H HIS A 79 -17.723 -5.620 0.431 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.075 -7.246 2.228 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.498 -8.233 0.379 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.479 -7.409 -0.784 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -13.692 -8.298 1.158 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -14.759 -12.100 -0.393 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -12.914 -10.748 0.722 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.079 -5.774 1.929 1.00 0.00 N ATOM 1284 CA ILE A 80 -12.799 -5.120 1.728 1.00 0.00 C ATOM 1285 C ILE A 80 -11.653 -6.118 1.816 1.00 0.00 C ATOM 1286 O ILE A 80 -11.346 -6.634 2.890 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.560 -3.995 2.762 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.093 -3.552 2.738 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -12.947 -4.465 4.157 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -10.905 -2.054 2.709 1.00 0.00 C ATOM 0 H ILE A 80 -14.311 -5.959 2.905 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.828 -4.683 0.730 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.186 -3.143 2.497 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.588 -3.954 3.616 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.607 -3.986 1.864 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.773 -3.662 4.873 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.002 -4.739 4.169 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.344 -5.331 4.430 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.840 -1.821 2.693 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.379 -1.645 1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.360 -1.613 3.596 1.00 0.00 H new ATOM 1302 N THR A 81 -11.000 -6.355 0.689 1.00 0.00 N ATOM 1303 CA THR A 81 -9.861 -7.255 0.655 1.00 0.00 C ATOM 1304 C THR A 81 -8.584 -6.433 0.741 1.00 0.00 C ATOM 1305 O THR A 81 -8.316 -5.603 -0.124 1.00 0.00 O ATOM 1306 CB THR A 81 -9.873 -8.090 -0.630 1.00 0.00 C ATOM 1307 OG1 THR A 81 -10.963 -7.727 -1.457 1.00 0.00 O ATOM 1308 CG2 THR A 81 -9.971 -9.578 -0.375 1.00 0.00 C ATOM 0 H THR A 81 -11.239 -5.938 -0.211 1.00 0.00 H new ATOM 0 HA THR A 81 -9.914 -7.941 1.501 1.00 0.00 H new ATOM 0 HB THR A 81 -8.921 -7.880 -1.117 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.249 -8.504 -1.981 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.975 -10.111 -1.326 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.117 -9.902 0.219 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.892 -9.795 0.166 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.802 -6.646 1.791 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.570 -5.892 1.968 1.00 0.00 C ATOM 1318 C LEU A 82 -5.350 -6.777 1.764 1.00 0.00 C ATOM 1319 O LEU A 82 -5.088 -7.689 2.548 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.538 -5.256 3.362 1.00 0.00 C ATOM 1321 CG LEU A 82 -6.697 -3.732 3.388 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -7.942 -3.306 2.632 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -6.742 -3.226 4.822 1.00 0.00 C ATOM 0 H LEU A 82 -7.996 -7.327 2.525 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.543 -5.104 1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.332 -5.698 3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.593 -5.515 3.840 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.832 -3.290 2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.034 -2.220 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.868 -3.633 1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.820 -3.758 3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.855 -2.142 4.822 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.587 -3.679 5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.817 -3.494 5.332 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.597 -6.488 0.709 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.392 -7.241 0.404 1.00 0.00 C ATOM 1337 C TRP A 83 -2.180 -6.348 0.595 1.00 0.00 C ATOM 1338 O TRP A 83 -2.071 -5.295 -0.027 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.417 -7.765 -1.039 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.592 -8.641 -1.365 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.821 -8.631 -0.772 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.645 -9.655 -2.376 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.632 -9.578 -1.348 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.933 -10.219 -2.335 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.726 -10.140 -3.310 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -6.326 -11.242 -3.192 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -4.118 -11.157 -4.162 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -5.408 -11.697 -4.097 1.00 0.00 C ATOM 0 H TRP A 83 -4.802 -5.736 0.051 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.340 -8.096 1.079 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.414 -6.914 -1.721 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.500 -8.325 -1.224 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.114 -7.974 0.033 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.598 -9.772 -1.083 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.729 -9.729 -3.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -7.320 -11.661 -3.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -3.418 -11.541 -4.889 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -5.684 -12.490 -4.776 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.269 -6.768 1.458 1.00 0.00 N ATOM 1360 CA PHE A 84 -0.067 -5.989 1.719 1.00 0.00 C ATOM 1361 C PHE A 84 1.174 -6.761 1.294 1.00 0.00 C ATOM 1362 O PHE A 84 1.501 -7.800 1.866 1.00 0.00 O ATOM 1363 CB PHE A 84 0.019 -5.588 3.195 1.00 0.00 C ATOM 1364 CG PHE A 84 -1.001 -4.552 3.593 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -2.344 -4.770 3.344 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.623 -3.358 4.204 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -3.291 -3.832 3.691 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.572 -2.413 4.549 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.908 -2.652 4.293 1.00 0.00 C ATOM 0 H PHE A 84 -1.337 -7.638 1.987 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.121 -5.075 1.128 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.115 -6.475 3.814 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.017 -5.203 3.402 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.655 -5.690 2.870 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.420 -3.169 4.410 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.335 -4.021 3.491 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.269 -1.489 5.018 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.651 -1.916 4.564 1.00 0.00 H new ATOM 1379 N TRP A 85 1.847 -6.252 0.267 1.00 0.00 N ATOM 1380 CA TRP A 85 3.039 -6.895 -0.263 1.00 0.00 C ATOM 1381 C TRP A 85 4.309 -6.314 0.350 1.00 0.00 C ATOM 1382 O TRP A 85 4.360 -5.134 0.698 1.00 0.00 O ATOM 1383 CB TRP A 85 3.062 -6.769 -1.785 1.00 0.00 C ATOM 1384 CG TRP A 85 2.047 -7.652 -2.442 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.700 -7.638 -2.233 1.00 0.00 C ATOM 1386 CD2 TRP A 85 2.295 -8.688 -3.398 1.00 0.00 C ATOM 1387 NE1 TRP A 85 0.092 -8.599 -3.001 1.00 0.00 N ATOM 1388 CE2 TRP A 85 1.049 -9.258 -3.727 1.00 0.00 C ATOM 1389 CE3 TRP A 85 3.446 -9.189 -4.012 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.925 -10.302 -4.640 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 3.322 -10.225 -4.917 1.00 0.00 C ATOM 1392 CH2 TRP A 85 2.070 -10.772 -5.225 1.00 0.00 C ATOM 0 H TRP A 85 1.584 -5.392 -0.215 1.00 0.00 H new ATOM 0 HA TRP A 85 3.006 -7.951 0.005 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.874 -5.732 -2.065 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.056 -7.024 -2.154 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.186 -6.968 -1.560 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -0.909 -8.791 -3.027 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.416 -8.773 -3.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.040 -10.726 -4.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 4.206 -10.620 -5.395 1.00 0.00 H new ATOM 0 HH2 TRP A 85 2.007 -11.581 -5.938 1.00 0.00 H new ATOM 1403 N LEU A 86 5.333 -7.156 0.485 1.00 0.00 N ATOM 1404 CA LEU A 86 6.599 -6.732 1.063 1.00 0.00 C ATOM 1405 C LEU A 86 7.575 -6.302 -0.032 1.00 0.00 C ATOM 1406 O LEU A 86 7.672 -6.941 -1.077 1.00 0.00 O ATOM 1407 CB LEU A 86 7.204 -7.851 1.916 1.00 0.00 C ATOM 1408 CG LEU A 86 7.879 -8.987 1.145 1.00 0.00 C ATOM 1409 CD1 LEU A 86 9.295 -8.599 0.750 1.00 0.00 C ATOM 1410 CD2 LEU A 86 7.889 -10.258 1.983 1.00 0.00 C ATOM 0 H LEU A 86 5.306 -8.135 0.201 1.00 0.00 H new ATOM 0 HA LEU A 86 6.410 -5.874 1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.937 -7.411 2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.415 -8.277 2.535 1.00 0.00 H new ATOM 0 HG LEU A 86 7.310 -9.174 0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.758 -9.420 0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.266 -7.712 0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.878 -8.386 1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.372 -11.059 1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.438 -10.080 2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.865 -10.547 2.219 1.00 0.00 H new ATOM 1422 N VAL A 87 8.289 -5.215 0.212 1.00 0.00 N ATOM 1423 CA VAL A 87 9.258 -4.689 -0.745 1.00 0.00 C ATOM 1424 C VAL A 87 10.618 -4.587 -0.116 1.00 0.00 C ATOM 1425 O VAL A 87 10.728 -4.309 1.078 1.00 0.00 O ATOM 1426 CB VAL A 87 8.886 -3.297 -1.231 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.881 -2.803 -2.275 1.00 0.00 C ATOM 1428 CG2 VAL A 87 7.465 -3.291 -1.773 1.00 0.00 C ATOM 0 H VAL A 87 8.217 -4.673 1.073 1.00 0.00 H new ATOM 0 HA VAL A 87 9.261 -5.383 -1.586 1.00 0.00 H new ATOM 0 HB VAL A 87 8.929 -2.609 -0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.594 -1.805 -2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.879 -2.767 -1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.882 -3.483 -3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.211 -2.289 -2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.390 -3.991 -2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.774 -3.590 -0.985 1.00 0.00 H new ATOM 1438 N GLU A 88 11.657 -4.822 -0.897 1.00 0.00 N ATOM 1439 CA GLU A 88 12.990 -4.747 -0.338 1.00 0.00 C ATOM 1440 C GLU A 88 13.808 -3.539 -0.823 1.00 0.00 C ATOM 1441 O GLU A 88 14.693 -3.079 -0.100 1.00 0.00 O ATOM 1442 CB GLU A 88 13.754 -6.045 -0.613 1.00 0.00 C ATOM 1443 CG GLU A 88 15.181 -6.036 -0.089 1.00 0.00 C ATOM 1444 CD GLU A 88 15.247 -6.045 1.425 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.602 -6.919 2.043 1.00 0.00 O ATOM 1446 OE2 GLU A 88 15.942 -5.177 1.995 1.00 0.00 O ATOM 0 H GLU A 88 11.607 -5.059 -1.888 1.00 0.00 H new ATOM 0 HA GLU A 88 12.856 -4.608 0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.215 -6.877 -0.159 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.772 -6.225 -1.688 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.712 -6.905 -0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.697 -5.153 -0.466 1.00 0.00 H new ATOM 1453 N ARG A 89 13.552 -3.027 -2.029 1.00 0.00 N ATOM 1454 CA ARG A 89 14.332 -1.891 -2.523 1.00 0.00 C ATOM 1455 C ARG A 89 13.653 -1.210 -3.706 1.00 0.00 C ATOM 1456 O ARG A 89 12.752 -1.774 -4.319 1.00 0.00 O ATOM 1457 CB ARG A 89 15.759 -2.359 -2.878 1.00 0.00 C ATOM 1458 CG ARG A 89 16.215 -2.060 -4.304 1.00 0.00 C ATOM 1459 CD ARG A 89 16.864 -0.688 -4.409 1.00 0.00 C ATOM 1460 NE ARG A 89 18.282 -0.780 -4.751 1.00 0.00 N ATOM 1461 CZ ARG A 89 19.153 0.210 -4.570 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.757 1.366 -4.052 1.00 0.00 N ATOM 1463 NH2 ARG A 89 20.425 0.043 -4.907 1.00 0.00 N ATOM 0 H ARG A 89 12.832 -3.369 -2.666 1.00 0.00 H new ATOM 0 HA ARG A 89 14.395 -1.143 -1.733 1.00 0.00 H new ATOM 0 HB2 ARG A 89 16.459 -1.890 -2.186 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.821 -3.435 -2.714 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.922 -2.823 -4.628 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.360 -2.111 -4.978 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.346 -0.098 -5.165 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.753 -0.160 -3.462 1.00 0.00 H new ATOM 0 HE ARG A 89 18.624 -1.654 -5.152 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.780 1.500 -3.790 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.429 2.121 -3.916 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.735 -0.844 -5.305 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.093 0.801 -4.769 1.00 0.00 H new ATOM 1477 N TRP A 90 14.115 -0.005 -4.039 1.00 0.00 N ATOM 1478 CA TRP A 90 13.571 0.731 -5.174 1.00 0.00 C ATOM 1479 C TRP A 90 14.609 1.686 -5.760 1.00 0.00 C ATOM 1480 O TRP A 90 15.196 2.498 -5.045 1.00 0.00 O ATOM 1481 CB TRP A 90 12.282 1.466 -4.787 1.00 0.00 C ATOM 1482 CG TRP A 90 12.473 2.798 -4.128 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.970 3.935 -4.696 1.00 0.00 C ATOM 1484 CD2 TRP A 90 12.133 3.134 -2.782 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.962 4.959 -3.782 1.00 0.00 N ATOM 1486 CE2 TRP A 90 12.450 4.493 -2.600 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.591 2.417 -1.712 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 12.238 5.150 -1.393 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.382 3.072 -0.514 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.703 4.426 -0.364 1.00 0.00 C ATOM 0 H TRP A 90 14.862 0.478 -3.540 1.00 0.00 H new ATOM 0 HA TRP A 90 13.316 0.011 -5.951 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.681 1.607 -5.685 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.707 0.827 -4.116 1.00 0.00 H new ATOM 0 HD1 TRP A 90 13.318 4.017 -5.715 1.00 0.00 H new ATOM 0 HE1 TRP A 90 13.285 5.911 -3.955 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.341 1.372 -1.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.487 6.194 -1.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 10.964 2.530 0.321 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.524 4.909 0.585 1.00 0.00 H new ATOM 1501 N GLU A 91 14.845 1.565 -7.068 1.00 0.00 N ATOM 1502 CA GLU A 91 15.825 2.406 -7.748 1.00 0.00 C ATOM 1503 C GLU A 91 15.280 3.809 -7.993 1.00 0.00 C ATOM 1504 O GLU A 91 14.086 3.991 -8.231 1.00 0.00 O ATOM 1505 CB GLU A 91 16.235 1.768 -9.077 1.00 0.00 C ATOM 1506 CG GLU A 91 17.316 0.708 -8.935 1.00 0.00 C ATOM 1507 CD GLU A 91 17.832 0.222 -10.275 1.00 0.00 C ATOM 1508 OE1 GLU A 91 18.281 1.065 -11.080 1.00 0.00 O ATOM 1509 OE2 GLU A 91 17.789 -1.003 -10.520 1.00 0.00 O ATOM 0 H GLU A 91 14.371 0.894 -7.673 1.00 0.00 H new ATOM 0 HA GLU A 91 16.698 2.490 -7.101 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.357 1.320 -9.541 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.589 2.548 -9.751 1.00 0.00 H new ATOM 0 HG2 GLU A 91 18.145 1.114 -8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.919 -0.138 -8.374 1.00 0.00 H new ATOM 1516 N GLY A 92 16.168 4.797 -7.937 1.00 0.00 N ATOM 1517 CA GLY A 92 15.768 6.176 -8.159 1.00 0.00 C ATOM 1518 C GLY A 92 14.605 6.599 -7.283 1.00 0.00 C ATOM 1519 O GLY A 92 14.652 6.452 -6.063 1.00 0.00 O ATOM 0 H GLY A 92 17.161 4.667 -7.741 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.618 6.831 -7.968 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.494 6.306 -9.206 1.00 0.00 H new ATOM 1523 N GLU A 93 13.559 7.125 -7.911 1.00 0.00 N ATOM 1524 CA GLU A 93 12.375 7.571 -7.187 1.00 0.00 C ATOM 1525 C GLU A 93 11.124 6.884 -7.729 1.00 0.00 C ATOM 1526 O GLU A 93 10.859 6.929 -8.930 1.00 0.00 O ATOM 1527 CB GLU A 93 12.227 9.089 -7.301 1.00 0.00 C ATOM 1528 CG GLU A 93 11.476 9.715 -6.136 1.00 0.00 C ATOM 1529 CD GLU A 93 11.999 11.093 -5.779 1.00 0.00 C ATOM 1530 OE1 GLU A 93 13.228 11.238 -5.620 1.00 0.00 O ATOM 1531 OE2 GLU A 93 11.178 12.027 -5.659 1.00 0.00 O ATOM 0 H GLU A 93 13.507 7.253 -8.922 1.00 0.00 H new ATOM 0 HA GLU A 93 12.493 7.303 -6.137 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.218 9.539 -7.368 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.706 9.327 -8.228 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.418 9.786 -6.387 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.555 9.064 -5.266 1.00 0.00 H new ATOM 1538 N PRO A 94 10.325 6.241 -6.855 1.00 0.00 N ATOM 1539 CA PRO A 94 9.099 5.554 -7.261 1.00 0.00 C ATOM 1540 C PRO A 94 8.012 6.545 -7.632 1.00 0.00 C ATOM 1541 O PRO A 94 7.713 7.464 -6.870 1.00 0.00 O ATOM 1542 CB PRO A 94 8.693 4.755 -6.007 1.00 0.00 C ATOM 1543 CG PRO A 94 9.878 4.822 -5.105 1.00 0.00 C ATOM 1544 CD PRO A 94 10.527 6.138 -5.410 1.00 0.00 C ATOM 0 HA PRO A 94 9.246 4.926 -8.140 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.811 5.186 -5.533 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.447 3.723 -6.259 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.580 4.762 -4.058 1.00 0.00 H new ATOM 0 HG3 PRO A 94 10.561 3.993 -5.290 1.00 0.00 H new ATOM 0 HD2 PRO A 94 10.057 6.961 -4.871 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.584 6.145 -5.143 1.00 0.00 H new ATOM 1552 N TRP A 95 7.422 6.366 -8.805 1.00 0.00 N ATOM 1553 CA TRP A 95 6.374 7.265 -9.252 1.00 0.00 C ATOM 1554 C TRP A 95 5.042 6.549 -9.367 1.00 0.00 C ATOM 1555 O TRP A 95 4.074 6.897 -8.690 1.00 0.00 O ATOM 1556 CB TRP A 95 6.728 7.896 -10.601 1.00 0.00 C ATOM 1557 CG TRP A 95 7.328 6.946 -11.604 1.00 0.00 C ATOM 1558 CD1 TRP A 95 8.637 6.591 -11.703 1.00 0.00 C ATOM 1559 CD2 TRP A 95 6.646 6.243 -12.656 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.825 5.734 -12.764 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.617 5.506 -13.364 1.00 0.00 C ATOM 1562 CE3 TRP A 95 5.312 6.167 -13.072 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 7.298 4.715 -14.465 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.997 5.376 -14.161 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.986 4.663 -14.850 1.00 0.00 C ATOM 0 H TRP A 95 7.649 5.615 -9.456 1.00 0.00 H new ATOM 0 HA TRP A 95 6.287 8.051 -8.501 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.826 8.333 -11.030 1.00 0.00 H new ATOM 0 HB3 TRP A 95 7.429 8.713 -10.431 1.00 0.00 H new ATOM 0 HD1 TRP A 95 9.419 6.933 -11.042 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.718 5.335 -13.055 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.542 6.717 -12.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 8.059 4.162 -14.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.970 5.307 -14.486 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.708 4.060 -15.702 1.00 0.00 H new ATOM 1576 N GLY A 96 5.001 5.551 -10.234 1.00 0.00 N ATOM 1577 CA GLY A 96 3.779 4.794 -10.437 1.00 0.00 C ATOM 1578 C GLY A 96 2.555 5.680 -10.604 1.00 0.00 C ATOM 1579 O GLY A 96 2.442 6.420 -11.581 1.00 0.00 O ATOM 0 H GLY A 96 5.792 5.249 -10.803 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.890 4.165 -11.321 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.626 4.127 -9.589 1.00 0.00 H new ATOM 1583 N LYS A 97 1.638 5.603 -9.640 1.00 0.00 N ATOM 1584 CA LYS A 97 0.413 6.401 -9.670 1.00 0.00 C ATOM 1585 C LYS A 97 -0.547 5.967 -8.561 1.00 0.00 C ATOM 1586 O LYS A 97 -1.553 5.304 -8.818 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.273 6.282 -11.038 1.00 0.00 C ATOM 1588 CG LYS A 97 -0.343 7.598 -11.797 1.00 0.00 C ATOM 1589 CD LYS A 97 -1.679 8.290 -11.589 1.00 0.00 C ATOM 1590 CE LYS A 97 -2.018 9.207 -12.754 1.00 0.00 C ATOM 1591 NZ LYS A 97 -1.391 10.549 -12.606 1.00 0.00 N ATOM 0 H LYS A 97 1.721 4.994 -8.826 1.00 0.00 H new ATOM 0 HA LYS A 97 0.685 7.443 -9.503 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.264 5.551 -11.643 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.284 5.899 -10.897 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.463 8.253 -11.466 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.189 7.415 -12.860 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.463 7.542 -11.473 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.651 8.868 -10.665 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.682 8.750 -13.685 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.100 9.318 -12.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.647 11.143 -13.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.731 10.996 -11.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.357 10.446 -12.563 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.227 6.345 -7.327 1.00 0.00 N ATOM 1606 CA GLU A 98 -1.056 5.996 -6.175 1.00 0.00 C ATOM 1607 C GLU A 98 -2.008 7.136 -5.820 1.00 0.00 C ATOM 1608 O GLU A 98 -3.098 6.903 -5.297 1.00 0.00 O ATOM 1609 CB GLU A 98 -0.176 5.652 -4.969 1.00 0.00 C ATOM 1610 CG GLU A 98 1.178 6.347 -4.975 1.00 0.00 C ATOM 1611 CD GLU A 98 1.061 7.859 -4.953 1.00 0.00 C ATOM 1612 OE1 GLU A 98 0.995 8.464 -6.043 1.00 0.00 O ATOM 1613 OE2 GLU A 98 1.037 8.438 -3.846 1.00 0.00 O ATOM 0 H GLU A 98 0.602 6.894 -7.098 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.651 5.122 -6.441 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.707 5.920 -4.056 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.020 4.574 -4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.754 6.019 -4.110 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.734 6.043 -5.862 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.595 8.367 -6.110 1.00 0.00 N ATOM 1621 CA GLY A 99 -2.434 9.515 -5.815 1.00 0.00 C ATOM 1622 C GLY A 99 -1.672 10.661 -5.172 1.00 0.00 C ATOM 1623 O GLY A 99 -0.961 11.402 -5.850 1.00 0.00 O ATOM 0 H GLY A 99 -0.698 8.589 -6.542 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.896 9.866 -6.738 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.242 9.206 -5.151 1.00 0.00 H new ATOM 1627 N GLN A 100 -1.834 10.811 -3.860 1.00 0.00 N ATOM 1628 CA GLN A 100 -1.171 11.881 -3.119 1.00 0.00 C ATOM 1629 C GLN A 100 0.306 11.580 -2.900 1.00 0.00 C ATOM 1630 O GLN A 100 0.663 10.630 -2.204 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.862 12.098 -1.772 1.00 0.00 C ATOM 1632 CG GLN A 100 -2.072 10.816 -0.982 1.00 0.00 C ATOM 1633 CD GLN A 100 -3.516 10.355 -0.989 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -4.434 11.150 -0.786 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -3.724 9.065 -1.224 1.00 0.00 N ATOM 0 H GLN A 100 -2.420 10.204 -3.287 1.00 0.00 H new ATOM 0 HA GLN A 100 -1.245 12.790 -3.716 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.267 12.789 -1.175 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -2.828 12.573 -1.941 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.442 10.030 -1.398 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.749 10.971 0.048 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.933 8.442 -1.387 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.675 8.697 -1.242 1.00 0.00 H new ATOM 1644 N PRO A 101 1.185 12.404 -3.491 1.00 0.00 N ATOM 1645 CA PRO A 101 2.636 12.247 -3.363 1.00 0.00 C ATOM 1646 C PRO A 101 3.072 11.939 -1.932 1.00 0.00 C ATOM 1647 O PRO A 101 2.465 12.412 -0.970 1.00 0.00 O ATOM 1648 CB PRO A 101 3.144 13.619 -3.788 1.00 0.00 C ATOM 1649 CG PRO A 101 2.171 14.060 -4.819 1.00 0.00 C ATOM 1650 CD PRO A 101 0.836 13.567 -4.337 1.00 0.00 C ATOM 0 HA PRO A 101 3.020 11.414 -3.952 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.175 14.311 -2.947 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.155 13.563 -4.192 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.175 15.145 -4.926 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.416 13.643 -5.796 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.306 14.332 -3.770 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.190 13.281 -5.167 1.00 0.00 H new ATOM 1658 N GLY A 102 4.125 11.138 -1.801 1.00 0.00 N ATOM 1659 CA GLY A 102 4.627 10.772 -0.489 1.00 0.00 C ATOM 1660 C GLY A 102 6.137 10.918 -0.386 1.00 0.00 C ATOM 1661 O GLY A 102 6.800 11.266 -1.363 1.00 0.00 O ATOM 0 H GLY A 102 4.641 10.735 -2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.152 11.397 0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.348 9.741 -0.271 1.00 0.00 H new ATOM 1665 N GLU A 103 6.679 10.649 0.798 1.00 0.00 N ATOM 1666 CA GLU A 103 8.119 10.750 1.027 1.00 0.00 C ATOM 1667 C GLU A 103 8.635 9.516 1.761 1.00 0.00 C ATOM 1668 O GLU A 103 7.873 8.824 2.436 1.00 0.00 O ATOM 1669 CB GLU A 103 8.443 12.011 1.831 1.00 0.00 C ATOM 1670 CG GLU A 103 9.797 12.616 1.494 1.00 0.00 C ATOM 1671 CD GLU A 103 9.719 13.621 0.362 1.00 0.00 C ATOM 1672 OE1 GLU A 103 8.976 14.615 0.500 1.00 0.00 O ATOM 1673 OE2 GLU A 103 10.404 13.415 -0.663 1.00 0.00 O ATOM 0 H GLU A 103 6.143 10.359 1.616 1.00 0.00 H new ATOM 0 HA GLU A 103 8.615 10.811 0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.667 12.755 1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.416 11.771 2.894 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.204 13.103 2.380 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.489 11.820 1.221 1.00 0.00 H new ATOM 1680 N TRP A 104 9.932 9.241 1.630 1.00 0.00 N ATOM 1681 CA TRP A 104 10.526 8.081 2.295 1.00 0.00 C ATOM 1682 C TRP A 104 10.426 8.239 3.810 1.00 0.00 C ATOM 1683 O TRP A 104 11.142 9.041 4.409 1.00 0.00 O ATOM 1684 CB TRP A 104 11.999 7.895 1.880 1.00 0.00 C ATOM 1685 CG TRP A 104 12.320 8.418 0.511 1.00 0.00 C ATOM 1686 CD1 TRP A 104 11.521 8.368 -0.596 1.00 0.00 C ATOM 1687 CD2 TRP A 104 13.528 9.071 0.105 1.00 0.00 C ATOM 1688 NE1 TRP A 104 12.160 8.948 -1.666 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.393 9.388 -1.260 1.00 0.00 C ATOM 1690 CE3 TRP A 104 14.711 9.419 0.763 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.396 10.035 -1.977 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 15.706 10.061 0.049 1.00 0.00 C ATOM 1693 CH2 TRP A 104 15.543 10.364 -1.307 1.00 0.00 C ATOM 0 H TRP A 104 10.585 9.797 1.077 1.00 0.00 H new ATOM 0 HA TRP A 104 9.972 7.194 1.988 1.00 0.00 H new ATOM 0 HB2 TRP A 104 12.637 8.397 2.608 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.245 6.834 1.919 1.00 0.00 H new ATOM 0 HD1 TRP A 104 10.532 7.936 -0.626 1.00 0.00 H new ATOM 0 HE1 TRP A 104 11.779 9.036 -2.608 1.00 0.00 H new ATOM 0 HE3 TRP A 104 14.845 9.191 1.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 14.273 10.269 -3.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 16.625 10.333 0.547 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.339 10.868 -1.836 1.00 0.00 H new ATOM 1704 N MET A 105 9.529 7.470 4.422 1.00 0.00 N ATOM 1705 CA MET A 105 9.329 7.525 5.868 1.00 0.00 C ATOM 1706 C MET A 105 9.608 6.173 6.510 1.00 0.00 C ATOM 1707 O MET A 105 9.638 5.148 5.833 1.00 0.00 O ATOM 1708 CB MET A 105 7.902 7.971 6.196 1.00 0.00 C ATOM 1709 CG MET A 105 7.358 9.033 5.253 1.00 0.00 C ATOM 1710 SD MET A 105 6.352 10.266 6.100 1.00 0.00 S ATOM 1711 CE MET A 105 5.064 9.234 6.795 1.00 0.00 C ATOM 0 H MET A 105 8.929 6.801 3.939 1.00 0.00 H new ATOM 0 HA MET A 105 10.031 8.253 6.274 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.244 7.102 6.168 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.877 8.356 7.215 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.190 9.530 4.753 1.00 0.00 H new ATOM 0 HG3 MET A 105 6.761 8.553 4.478 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.422 9.837 7.438 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.469 8.803 5.990 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.516 8.434 7.381 1.00 0.00 H new ATOM 1721 N SER A 106 9.801 6.176 7.824 1.00 0.00 N ATOM 1722 CA SER A 106 10.070 4.944 8.559 1.00 0.00 C ATOM 1723 C SER A 106 8.776 4.192 8.850 1.00 0.00 C ATOM 1724 O SER A 106 7.919 4.675 9.591 1.00 0.00 O ATOM 1725 CB SER A 106 10.800 5.255 9.866 1.00 0.00 C ATOM 1726 OG SER A 106 10.203 6.352 10.536 1.00 0.00 O ATOM 0 H SER A 106 9.776 7.016 8.402 1.00 0.00 H new ATOM 0 HA SER A 106 10.705 4.311 7.939 1.00 0.00 H new ATOM 0 HB2 SER A 106 10.784 4.378 10.513 1.00 0.00 H new ATOM 0 HB3 SER A 106 11.846 5.478 9.657 1.00 0.00 H new ATOM 0 HG SER A 106 9.228 6.255 10.519 1.00 0.00 H new ATOM 1732 N LEU A 107 8.639 3.008 8.263 1.00 0.00 N ATOM 1733 CA LEU A 107 7.447 2.188 8.461 1.00 0.00 C ATOM 1734 C LEU A 107 7.388 1.633 9.883 1.00 0.00 C ATOM 1735 O LEU A 107 6.327 1.225 10.353 1.00 0.00 O ATOM 1736 CB LEU A 107 7.409 1.044 7.446 1.00 0.00 C ATOM 1737 CG LEU A 107 6.059 0.839 6.757 1.00 0.00 C ATOM 1738 CD1 LEU A 107 4.981 0.521 7.780 1.00 0.00 C ATOM 1739 CD2 LEU A 107 5.681 2.074 5.949 1.00 0.00 C ATOM 0 H LEU A 107 9.338 2.594 7.646 1.00 0.00 H new ATOM 0 HA LEU A 107 6.575 2.824 8.308 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.165 1.229 6.683 1.00 0.00 H new ATOM 0 HB3 LEU A 107 7.686 0.119 7.952 1.00 0.00 H new ATOM 0 HG LEU A 107 6.145 -0.007 6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.028 0.378 7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.246 -0.390 8.317 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.895 1.346 8.487 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.718 1.911 5.465 1.00 0.00 H new ATOM 0 HD22 LEU A 107 5.613 2.936 6.613 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.441 2.259 5.190 1.00 0.00 H new ATOM 1751 N VAL A 108 8.531 1.630 10.566 1.00 0.00 N ATOM 1752 CA VAL A 108 8.600 1.133 11.938 1.00 0.00 C ATOM 1753 C VAL A 108 7.616 1.870 12.849 1.00 0.00 C ATOM 1754 O VAL A 108 7.334 1.426 13.961 1.00 0.00 O ATOM 1755 CB VAL A 108 10.025 1.274 12.511 1.00 0.00 C ATOM 1756 CG1 VAL A 108 10.438 2.738 12.574 1.00 0.00 C ATOM 1757 CG2 VAL A 108 10.117 0.627 13.885 1.00 0.00 C ATOM 0 H VAL A 108 9.419 1.965 10.193 1.00 0.00 H new ATOM 0 HA VAL A 108 8.330 0.077 11.906 1.00 0.00 H new ATOM 0 HB VAL A 108 10.714 0.756 11.844 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.446 2.814 12.981 1.00 0.00 H new ATOM 0 HG12 VAL A 108 10.418 3.165 11.571 1.00 0.00 H new ATOM 0 HG13 VAL A 108 9.746 3.284 13.215 1.00 0.00 H new ATOM 0 HG21 VAL A 108 11.130 0.737 14.272 1.00 0.00 H new ATOM 0 HG22 VAL A 108 9.415 1.112 14.563 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.872 -0.432 13.806 1.00 0.00 H new ATOM 1767 N GLY A 109 7.093 2.995 12.367 1.00 0.00 N ATOM 1768 CA GLY A 109 6.147 3.769 13.138 1.00 0.00 C ATOM 1769 C GLY A 109 5.042 4.319 12.263 1.00 0.00 C ATOM 1770 O GLY A 109 4.822 5.528 12.203 1.00 0.00 O ATOM 0 H GLY A 109 7.312 3.383 11.449 1.00 0.00 H new ATOM 0 HA2 GLY A 109 5.717 3.145 13.921 1.00 0.00 H new ATOM 0 HA3 GLY A 109 6.664 4.591 13.633 1.00 0.00 H new ATOM 1774 N LEU A 110 4.356 3.417 11.572 1.00 0.00 N ATOM 1775 CA LEU A 110 3.271 3.792 10.673 1.00 0.00 C ATOM 1776 C LEU A 110 2.145 4.480 11.438 1.00 0.00 C ATOM 1777 O LEU A 110 1.942 4.227 12.625 1.00 0.00 O ATOM 1778 CB LEU A 110 2.740 2.553 9.953 1.00 0.00 C ATOM 1779 CG LEU A 110 2.066 2.814 8.604 1.00 0.00 C ATOM 1780 CD1 LEU A 110 2.933 3.709 7.731 1.00 0.00 C ATOM 1781 CD2 LEU A 110 1.778 1.499 7.897 1.00 0.00 C ATOM 0 H LEU A 110 4.533 2.414 11.618 1.00 0.00 H new ATOM 0 HA LEU A 110 3.660 4.495 9.936 1.00 0.00 H new ATOM 0 HB2 LEU A 110 3.568 1.861 9.798 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.025 2.053 10.606 1.00 0.00 H new ATOM 0 HG LEU A 110 1.122 3.328 8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.434 3.881 6.777 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.093 4.663 8.234 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.894 3.225 7.556 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.299 1.699 6.939 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.712 0.963 7.731 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.116 0.891 8.514 1.00 0.00 H new ATOM 1793 N ASN A 111 1.438 5.376 10.756 1.00 0.00 N ATOM 1794 CA ASN A 111 0.356 6.131 11.378 1.00 0.00 C ATOM 1795 C ASN A 111 -1.016 5.527 11.110 1.00 0.00 C ATOM 1796 O ASN A 111 -1.557 5.646 10.010 1.00 0.00 O ATOM 1797 CB ASN A 111 0.385 7.580 10.895 1.00 0.00 C ATOM 1798 CG ASN A 111 -0.069 8.554 11.964 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -1.161 8.421 12.519 1.00 0.00 O ATOM 1800 ND2 ASN A 111 0.767 9.543 12.259 1.00 0.00 N ATOM 0 H ASN A 111 1.595 5.597 9.773 1.00 0.00 H new ATOM 0 HA ASN A 111 0.520 6.091 12.455 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.397 7.835 10.581 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -0.256 7.681 10.019 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.514 10.230 12.970 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.662 9.616 11.775 1.00 0.00 H new ATOM 1807 N ALA A 112 -1.589 4.911 12.140 1.00 0.00 N ATOM 1808 CA ALA A 112 -2.919 4.326 12.035 1.00 0.00 C ATOM 1809 C ALA A 112 -3.973 5.432 11.985 1.00 0.00 C ATOM 1810 O ALA A 112 -5.075 5.238 11.473 1.00 0.00 O ATOM 1811 CB ALA A 112 -3.185 3.385 13.202 1.00 0.00 C ATOM 0 H ALA A 112 -1.152 4.805 13.056 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.975 3.746 11.114 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.183 2.958 13.105 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -2.446 2.584 13.199 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.116 3.938 14.139 1.00 0.00 H new ATOM 1817 N ASP A 113 -3.620 6.597 12.526 1.00 0.00 N ATOM 1818 CA ASP A 113 -4.518 7.746 12.543 1.00 0.00 C ATOM 1819 C ASP A 113 -4.535 8.457 11.189 1.00 0.00 C ATOM 1820 O ASP A 113 -5.598 8.788 10.663 1.00 0.00 O ATOM 1821 CB ASP A 113 -4.102 8.727 13.641 1.00 0.00 C ATOM 1822 CG ASP A 113 -5.237 9.643 14.058 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -6.351 9.135 14.301 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -5.009 10.869 14.141 1.00 0.00 O ATOM 0 H ASP A 113 -2.713 6.768 12.960 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.524 7.381 12.749 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -3.751 8.169 14.509 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -3.264 9.328 13.289 1.00 0.00 H new ATOM 1829 N ASP A 114 -3.345 8.703 10.640 1.00 0.00 N ATOM 1830 CA ASP A 114 -3.215 9.393 9.357 1.00 0.00 C ATOM 1831 C ASP A 114 -3.771 8.558 8.202 1.00 0.00 C ATOM 1832 O ASP A 114 -3.997 9.074 7.108 1.00 0.00 O ATOM 1833 CB ASP A 114 -1.755 9.752 9.094 1.00 0.00 C ATOM 1834 CG ASP A 114 -1.531 11.251 9.024 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -2.190 11.986 9.789 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -0.697 11.688 8.204 1.00 0.00 O ATOM 0 H ASP A 114 -2.457 8.434 11.064 1.00 0.00 H new ATOM 0 HA ASP A 114 -3.805 10.308 9.416 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -1.132 9.331 9.883 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -1.435 9.295 8.158 1.00 0.00 H new ATOM 1841 N PHE A 115 -4.004 7.274 8.451 1.00 0.00 N ATOM 1842 CA PHE A 115 -4.555 6.386 7.433 1.00 0.00 C ATOM 1843 C PHE A 115 -5.956 5.940 7.861 1.00 0.00 C ATOM 1844 O PHE A 115 -6.387 6.249 8.972 1.00 0.00 O ATOM 1845 CB PHE A 115 -3.611 5.188 7.201 1.00 0.00 C ATOM 1846 CG PHE A 115 -4.072 3.900 7.818 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -4.349 3.846 9.164 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -4.223 2.749 7.056 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -4.770 2.677 9.755 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -4.643 1.573 7.640 1.00 0.00 C ATOM 1851 CZ PHE A 115 -4.918 1.539 8.992 1.00 0.00 C ATOM 0 H PHE A 115 -3.820 6.825 9.348 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.641 6.913 6.483 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -3.492 5.039 6.128 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -2.627 5.435 7.600 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -4.234 4.735 9.766 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -4.010 2.775 5.998 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.984 2.651 10.813 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.756 0.681 7.041 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.249 0.620 9.452 1.00 0.00 H new ATOM 1861 N PRO A 116 -6.699 5.222 7.002 1.00 0.00 N ATOM 1862 CA PRO A 116 -8.053 4.773 7.339 1.00 0.00 C ATOM 1863 C PRO A 116 -8.085 3.984 8.650 1.00 0.00 C ATOM 1864 O PRO A 116 -7.321 3.036 8.830 1.00 0.00 O ATOM 1865 CB PRO A 116 -8.452 3.877 6.157 1.00 0.00 C ATOM 1866 CG PRO A 116 -7.190 3.621 5.401 1.00 0.00 C ATOM 1867 CD PRO A 116 -6.305 4.806 5.650 1.00 0.00 C ATOM 0 HA PRO A 116 -8.733 5.611 7.490 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -8.896 2.944 6.505 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -9.194 4.368 5.527 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -6.713 2.701 5.740 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -7.391 3.502 4.336 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -5.249 4.541 5.599 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -6.471 5.597 4.918 1.00 0.00 H new ATOM 1875 N PRO A 117 -8.969 4.373 9.591 1.00 0.00 N ATOM 1876 CA PRO A 117 -9.087 3.704 10.893 1.00 0.00 C ATOM 1877 C PRO A 117 -9.662 2.297 10.779 1.00 0.00 C ATOM 1878 O PRO A 117 -9.228 1.381 11.477 1.00 0.00 O ATOM 1879 CB PRO A 117 -10.043 4.607 11.675 1.00 0.00 C ATOM 1880 CG PRO A 117 -10.841 5.308 10.632 1.00 0.00 C ATOM 1881 CD PRO A 117 -9.914 5.501 9.465 1.00 0.00 C ATOM 0 HA PRO A 117 -8.115 3.575 11.368 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -10.683 4.025 12.339 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -9.497 5.315 12.298 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.712 4.719 10.345 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -11.210 6.265 11.000 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -10.450 5.472 8.516 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -9.402 6.462 9.513 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.639 2.129 9.896 1.00 0.00 N ATOM 1890 CA ALA A 118 -11.268 0.830 9.694 1.00 0.00 C ATOM 1891 C ALA A 118 -10.316 -0.156 9.027 1.00 0.00 C ATOM 1892 O ALA A 118 -10.606 -1.348 8.929 1.00 0.00 O ATOM 1893 CB ALA A 118 -12.542 0.981 8.877 1.00 0.00 C ATOM 0 H ALA A 118 -11.012 2.875 9.309 1.00 0.00 H new ATOM 0 HA ALA A 118 -11.524 0.427 10.674 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -13.001 0.003 8.734 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -13.237 1.634 9.404 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -12.302 1.415 7.906 1.00 0.00 H new ATOM 1899 N ASN A 119 -9.184 0.352 8.567 1.00 0.00 N ATOM 1900 CA ASN A 119 -8.185 -0.465 7.903 1.00 0.00 C ATOM 1901 C ASN A 119 -7.005 -0.752 8.838 1.00 0.00 C ATOM 1902 O ASN A 119 -5.912 -1.093 8.385 1.00 0.00 O ATOM 1903 CB ASN A 119 -7.717 0.276 6.656 1.00 0.00 C ATOM 1904 CG ASN A 119 -8.556 -0.062 5.434 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -9.354 -0.999 5.455 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -8.388 0.708 4.362 1.00 0.00 N ATOM 0 H ASN A 119 -8.934 1.338 8.643 1.00 0.00 H new ATOM 0 HA ASN A 119 -8.618 -1.426 7.625 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -7.759 1.350 6.837 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.674 0.027 6.458 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -8.931 0.531 3.517 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.716 1.475 4.385 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.239 -0.602 10.146 1.00 0.00 N ATOM 1914 CA GLU A 120 -6.206 -0.825 11.162 1.00 0.00 C ATOM 1915 C GLU A 120 -5.827 -2.301 11.325 1.00 0.00 C ATOM 1916 O GLU A 120 -4.681 -2.607 11.655 1.00 0.00 O ATOM 1917 CB GLU A 120 -6.661 -0.255 12.509 1.00 0.00 C ATOM 1918 CG GLU A 120 -5.780 0.873 13.019 1.00 0.00 C ATOM 1919 CD GLU A 120 -6.577 1.984 13.674 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -7.652 2.336 13.146 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -6.124 2.504 14.716 1.00 0.00 O ATOM 0 H GLU A 120 -8.143 -0.325 10.528 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.313 -0.305 10.815 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -7.684 0.109 12.414 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -6.675 -1.057 13.248 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -5.063 0.473 13.736 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.205 1.284 12.189 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.767 -3.246 11.123 1.00 0.00 N ATOM 1929 CA PRO A 121 -6.478 -4.676 11.282 1.00 0.00 C ATOM 1930 C PRO A 121 -5.152 -5.089 10.645 1.00 0.00 C ATOM 1931 O PRO A 121 -4.454 -5.961 11.161 1.00 0.00 O ATOM 1932 CB PRO A 121 -7.656 -5.339 10.572 1.00 0.00 C ATOM 1933 CG PRO A 121 -8.785 -4.391 10.781 1.00 0.00 C ATOM 1934 CD PRO A 121 -8.178 -3.013 10.750 1.00 0.00 C ATOM 0 HA PRO A 121 -6.372 -4.961 12.329 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -7.451 -5.487 9.512 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -7.875 -6.320 10.994 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.539 -4.503 10.002 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -9.281 -4.578 11.733 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -8.262 -2.560 9.762 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -8.672 -2.341 11.452 1.00 0.00 H new ATOM 1942 N VAL A 122 -4.801 -4.451 9.532 1.00 0.00 N ATOM 1943 CA VAL A 122 -3.549 -4.752 8.845 1.00 0.00 C ATOM 1944 C VAL A 122 -2.368 -4.109 9.558 1.00 0.00 C ATOM 1945 O VAL A 122 -1.364 -4.764 9.843 1.00 0.00 O ATOM 1946 CB VAL A 122 -3.560 -4.250 7.384 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -2.150 -4.206 6.814 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.445 -5.122 6.518 1.00 0.00 C ATOM 0 H VAL A 122 -5.363 -3.725 9.088 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.448 -5.837 8.852 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.966 -3.238 7.385 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.185 -3.849 5.785 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.537 -3.531 7.411 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.717 -5.206 6.837 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.435 -4.747 5.495 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.073 -6.146 6.533 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.465 -5.101 6.903 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.485 -2.812 9.814 1.00 0.00 N ATOM 1959 CA ILE A 123 -1.418 -2.066 10.460 1.00 0.00 C ATOM 1960 C ILE A 123 -1.120 -2.595 11.853 1.00 0.00 C ATOM 1961 O ILE A 123 0.033 -2.663 12.253 1.00 0.00 O ATOM 1962 CB ILE A 123 -1.735 -0.563 10.546 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.239 -0.040 9.204 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -0.489 0.200 10.958 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -1.161 0.011 8.146 1.00 0.00 C ATOM 0 H ILE A 123 -3.309 -2.257 9.583 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.536 -2.203 9.834 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.517 -0.415 11.291 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -3.053 -0.676 8.855 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -2.652 0.959 9.342 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -0.717 1.264 11.018 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -0.151 -0.154 11.932 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.297 0.038 10.220 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.582 0.391 7.215 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -0.358 0.670 8.476 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.764 -0.991 7.982 1.00 0.00 H new ATOM 1977 N ALA A 124 -2.148 -2.974 12.596 1.00 0.00 N ATOM 1978 CA ALA A 124 -1.939 -3.492 13.943 1.00 0.00 C ATOM 1979 C ALA A 124 -0.956 -4.661 13.925 1.00 0.00 C ATOM 1980 O ALA A 124 -0.232 -4.891 14.894 1.00 0.00 O ATOM 1981 CB ALA A 124 -3.263 -3.918 14.559 1.00 0.00 C ATOM 0 H ALA A 124 -3.122 -2.935 12.297 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.512 -2.697 14.554 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.090 -4.302 15.564 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -3.934 -3.060 14.609 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.716 -4.697 13.946 1.00 0.00 H new ATOM 1987 N LYS A 125 -0.933 -5.392 12.814 1.00 0.00 N ATOM 1988 CA LYS A 125 -0.036 -6.535 12.663 1.00 0.00 C ATOM 1989 C LYS A 125 1.379 -6.095 12.281 1.00 0.00 C ATOM 1990 O LYS A 125 2.356 -6.490 12.918 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.585 -7.500 11.609 1.00 0.00 C ATOM 1992 CG LYS A 125 -0.783 -8.916 12.126 1.00 0.00 C ATOM 1993 CD LYS A 125 0.507 -9.487 12.692 1.00 0.00 C ATOM 1994 CE LYS A 125 0.305 -10.897 13.223 1.00 0.00 C ATOM 1995 NZ LYS A 125 1.288 -11.235 14.289 1.00 0.00 N ATOM 0 H LYS A 125 -1.526 -5.213 12.004 1.00 0.00 H new ATOM 0 HA LYS A 125 0.019 -7.042 13.626 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.538 -7.120 11.241 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.098 -7.524 10.760 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -1.553 -8.919 12.898 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.140 -9.553 11.317 1.00 0.00 H new ATOM 0 HD2 LYS A 125 1.274 -9.495 11.917 1.00 0.00 H new ATOM 0 HD3 LYS A 125 0.870 -8.844 13.493 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -0.706 -10.995 13.618 1.00 0.00 H new ATOM 0 HE3 LYS A 125 0.398 -11.610 12.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 1.117 -12.204 14.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 2.253 -11.167 13.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 1.182 -10.570 15.082 1.00 0.00 H new ATOM 2009 N LEU A 126 1.481 -5.285 11.229 1.00 0.00 N ATOM 2010 CA LEU A 126 2.772 -4.800 10.744 1.00 0.00 C ATOM 2011 C LEU A 126 3.338 -3.718 11.656 1.00 0.00 C ATOM 2012 O LEU A 126 4.529 -3.715 11.964 1.00 0.00 O ATOM 2013 CB LEU A 126 2.626 -4.253 9.322 1.00 0.00 C ATOM 2014 CG LEU A 126 3.915 -4.224 8.500 1.00 0.00 C ATOM 2015 CD1 LEU A 126 4.966 -3.361 9.181 1.00 0.00 C ATOM 2016 CD2 LEU A 126 4.439 -5.635 8.284 1.00 0.00 C ATOM 0 H LEU A 126 0.680 -4.949 10.694 1.00 0.00 H new ATOM 0 HA LEU A 126 3.466 -5.641 10.743 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.889 -4.856 8.792 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.227 -3.240 9.379 1.00 0.00 H new ATOM 0 HG LEU A 126 3.693 -3.786 7.527 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.876 -3.353 8.580 1.00 0.00 H new ATOM 0 HD12 LEU A 126 4.590 -2.343 9.283 1.00 0.00 H new ATOM 0 HD13 LEU A 126 5.187 -3.767 10.168 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.357 -5.596 7.697 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.644 -6.099 9.249 1.00 0.00 H new ATOM 0 HD23 LEU A 126 3.692 -6.223 7.751 1.00 0.00 H new ATOM 2028 N LYS A 127 2.477 -2.803 12.079 1.00 0.00 N ATOM 2029 CA LYS A 127 2.873 -1.705 12.956 1.00 0.00 C ATOM 2030 C LYS A 127 3.609 -2.220 14.179 1.00 0.00 C ATOM 2031 O LYS A 127 4.625 -1.661 14.592 1.00 0.00 O ATOM 2032 CB LYS A 127 1.646 -0.932 13.397 1.00 0.00 C ATOM 2033 CG LYS A 127 1.958 0.254 14.288 1.00 0.00 C ATOM 2034 CD LYS A 127 0.813 1.254 14.309 1.00 0.00 C ATOM 2035 CE LYS A 127 1.066 2.369 15.311 1.00 0.00 C ATOM 2036 NZ LYS A 127 0.446 3.653 14.883 1.00 0.00 N ATOM 0 H LYS A 127 1.489 -2.799 11.827 1.00 0.00 H new ATOM 0 HA LYS A 127 3.543 -1.051 12.398 1.00 0.00 H new ATOM 0 HB2 LYS A 127 1.112 -0.581 12.514 1.00 0.00 H new ATOM 0 HB3 LYS A 127 0.974 -1.607 13.928 1.00 0.00 H new ATOM 0 HG2 LYS A 127 2.157 -0.094 15.302 1.00 0.00 H new ATOM 0 HG3 LYS A 127 2.865 0.746 13.936 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.682 1.680 13.314 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.115 0.741 14.561 1.00 0.00 H new ATOM 0 HE2 LYS A 127 0.667 2.080 16.284 1.00 0.00 H new ATOM 0 HE3 LYS A 127 2.140 2.508 15.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 0.478 4.333 15.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 0.969 4.037 14.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -0.544 3.487 14.610 1.00 0.00 H new ATOM 2050 N ARG A 128 3.095 -3.303 14.747 1.00 0.00 N ATOM 2051 CA ARG A 128 3.713 -3.911 15.912 1.00 0.00 C ATOM 2052 C ARG A 128 5.095 -4.443 15.550 1.00 0.00 C ATOM 2053 O ARG A 128 5.867 -4.841 16.423 1.00 0.00 O ATOM 2054 CB ARG A 128 2.836 -5.042 16.452 1.00 0.00 C ATOM 2055 CG ARG A 128 3.301 -5.587 17.793 1.00 0.00 C ATOM 2056 CD ARG A 128 2.210 -6.398 18.472 1.00 0.00 C ATOM 2057 NE ARG A 128 2.714 -7.134 19.629 1.00 0.00 N ATOM 2058 CZ ARG A 128 3.540 -8.174 19.543 1.00 0.00 C ATOM 2059 NH1 ARG A 128 3.956 -8.604 18.359 1.00 0.00 N ATOM 2060 NH2 ARG A 128 3.951 -8.786 20.646 1.00 0.00 N ATOM 0 H ARG A 128 2.253 -3.776 14.419 1.00 0.00 H new ATOM 0 HA ARG A 128 3.817 -3.153 16.689 1.00 0.00 H new ATOM 0 HB2 ARG A 128 1.812 -4.681 16.552 1.00 0.00 H new ATOM 0 HB3 ARG A 128 2.818 -5.855 15.726 1.00 0.00 H new ATOM 0 HG2 ARG A 128 4.183 -6.211 17.648 1.00 0.00 H new ATOM 0 HG3 ARG A 128 3.598 -4.761 18.440 1.00 0.00 H new ATOM 0 HD2 ARG A 128 1.407 -5.732 18.788 1.00 0.00 H new ATOM 0 HD3 ARG A 128 1.780 -7.099 17.756 1.00 0.00 H new ATOM 0 HE ARG A 128 2.415 -6.833 20.557 1.00 0.00 H new ATOM 0 HH11 ARG A 128 3.643 -8.137 17.508 1.00 0.00 H new ATOM 0 HH12 ARG A 128 4.589 -9.402 18.300 1.00 0.00 H new ATOM 0 HH21 ARG A 128 3.634 -8.459 21.559 1.00 0.00 H new ATOM 0 HH22 ARG A 128 4.584 -9.583 20.581 1.00 0.00 H new ATOM 2074 N LEU A 129 5.401 -4.445 14.252 1.00 0.00 N ATOM 2075 CA LEU A 129 6.694 -4.926 13.775 1.00 0.00 C ATOM 2076 C LEU A 129 6.905 -6.386 14.161 1.00 0.00 C ATOM 2077 O LEU A 129 7.113 -6.706 15.332 1.00 0.00 O ATOM 2078 CB LEU A 129 7.828 -4.065 14.348 1.00 0.00 C ATOM 2079 CG LEU A 129 7.959 -2.643 13.771 1.00 0.00 C ATOM 2080 CD1 LEU A 129 6.965 -2.399 12.644 1.00 0.00 C ATOM 2081 CD2 LEU A 129 7.775 -1.604 14.869 1.00 0.00 C ATOM 0 H LEU A 129 4.773 -4.120 13.517 1.00 0.00 H new ATOM 0 HA LEU A 129 6.704 -4.850 12.688 1.00 0.00 H new ATOM 0 HB2 LEU A 129 7.687 -3.986 15.426 1.00 0.00 H new ATOM 0 HB3 LEU A 129 8.771 -4.588 14.187 1.00 0.00 H new ATOM 0 HG LEU A 129 8.962 -2.549 13.356 1.00 0.00 H new ATOM 0 HD11 LEU A 129 7.088 -1.385 12.263 1.00 0.00 H new ATOM 0 HD12 LEU A 129 7.144 -3.113 11.840 1.00 0.00 H new ATOM 0 HD13 LEU A 129 5.950 -2.524 13.021 1.00 0.00 H new ATOM 0 HD21 LEU A 129 7.871 -0.605 14.444 1.00 0.00 H new ATOM 0 HD22 LEU A 129 6.786 -1.716 15.314 1.00 0.00 H new ATOM 0 HD23 LEU A 129 8.536 -1.746 15.636 1.00 0.00 H new TER 2093 LEU A 129 HETATM 2094 MG MG A 130 -4.289 1.905 -9.182 1.00 0.00 MG HETATM 2095 OP3 8OG A 131 -7.109 1.428 -1.864 1.00 20.00 O HETATM 2096 P 8OG A 131 -7.877 2.833 -2.034 1.00 20.00 P HETATM 2097 OP1 8OG A 131 -7.761 3.262 -3.447 1.00 20.00 O HETATM 2098 OP2 8OG A 131 -7.422 3.750 -0.966 1.00 20.00 O HETATM 2099 O5' 8OG A 131 -9.408 2.424 -1.747 1.00 20.00 O HETATM 2100 C5' 8OG A 131 -9.719 1.483 -0.717 1.00 20.00 C HETATM 2101 C4' 8OG A 131 -11.223 1.203 -0.677 1.00 20.00 C HETATM 2102 O4' 8OG A 131 -11.764 0.243 0.238 1.00 20.00 O HETATM 2103 C3' 8OG A 131 -12.059 2.448 -0.373 1.00 20.00 C HETATM 2104 O3' 8OG A 131 -12.848 2.840 -1.500 1.00 20.00 O HETATM 2105 C2' 8OG A 131 -12.934 2.121 0.840 1.00 20.00 C HETATM 2106 C1' 8OG A 131 -12.636 0.686 1.286 1.00 20.00 C HETATM 2107 N9 8OG A 131 -12.458 0.476 2.741 1.00 20.00 N HETATM 2108 C8 8OG A 131 -11.570 1.208 3.486 1.00 20.00 C HETATM 2109 N7 8OG A 131 -11.732 0.744 4.764 1.00 20.00 N HETATM 2110 C5 8OG A 131 -12.684 -0.239 4.822 1.00 20.00 C HETATM 2111 C6 8OG A 131 -13.212 -1.006 5.801 1.00 20.00 C HETATM 2112 O6 8OG A 131 -12.810 -0.829 7.003 1.00 20.00 O HETATM 2113 N1 8OG A 131 -14.194 -1.963 5.568 1.00 20.00 N HETATM 2114 C2 8OG A 131 -14.635 -2.117 4.281 1.00 20.00 C HETATM 2115 N2 8OG A 131 -15.570 -3.051 4.057 1.00 20.00 N HETATM 2116 N3 8OG A 131 -14.156 -1.372 3.198 1.00 20.00 N HETATM 2117 C4 8OG A 131 -13.156 -0.423 3.538 1.00 20.00 C HETATM 2118 O8 8OG A 131 -10.768 2.122 3.087 1.00 20.00 O HETATM 0 HO3' 8OG A 131 -13.371 3.637 -1.272 1.00 20.00 H new HETATM 0 H5'' 8OG A 131 -9.176 0.554 -0.890 1.00 20.00 H new HETATM 0 H2'' 8OG A 131 -12.731 2.819 1.652 1.00 20.00 H new HETATM 0 H7 8OG A 131 -11.210 1.087 5.570 1.00 20.00 H new HETATM 0 H5' 8OG A 131 -9.390 1.870 0.247 1.00 20.00 H new HETATM 0 H4' 8OG A 131 -11.296 0.797 -1.686 1.00 20.00 H new HETATM 0 H3' 8OG A 131 -11.410 3.296 -0.154 1.00 20.00 H new HETATM 0 H22 8OG A 131 -15.927 -3.199 3.113 1.00 20.00 H new HETATM 0 H21 8OG A 131 -15.925 -3.613 4.831 1.00 20.00 H new HETATM 0 H2' 8OG A 131 -13.989 2.227 0.585 1.00 20.00 H new HETATM 0 H1' 8OG A 131 -13.441 -0.046 1.346 1.00 20.00 H new HETATM 0 H1 8OG A 131 -14.572 -2.529 6.328 1.00 20.00 H new HETATM 2131 O HOH A5215 -5.526 1.954 -10.893 1.00 0.00 O HETATM 2132 O HOH A5216 -5.443 3.466 -8.351 1.00 0.00 O