USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 654 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 THR OG1 : rot 113:sc= -1.65! USER MOD Set 1.2: A 88 HIS : no HD1:sc= 0.288 K(o=-1.4,f=-8.9!) USER MOD Set 2.1: A 53 THR OG1 : rot 87:sc= 1.33 USER MOD Set 2.2: A 80 THR OG1 : rot 180:sc= 1.02 USER MOD Set 2.3: A 81 SER OG : rot 96:sc= 0.00187 USER MOD Set 3.1: A 37 CYS SG : rot -110:sc= 1.59 USER MOD Set 3.2: A 42 CYS SG : rot 64:sc= 0.265 USER MOD Set 3.3: A 45 CYS SG : rot 180:sc= 0.243 USER MOD Set 3.4: A 75 CYS SG : rot -164:sc= -2.39! USER MOD Set 4.1: A 4 THR OG1 : rot -63:sc= 1.03 USER MOD Set 4.2: A 13 THR OG1 : rot 180:sc= 0.891 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -140:sc= 1.27 (180deg=-1.13) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 141:sc=-0.00766 (180deg=-0.0919) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.683 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -49:sc= -7.45! USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.133 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= -4.54! (180deg=-5.19!) USER MOD Single : A 56 GLN : amide:sc= -12.8! C(o=-13!,f=-16!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -3.15! C(o=-3.1!,f=-7.3!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.54) USER MOD Single : A 67 MET CE :methyl -162:sc= -0.167 (180deg=-0.629) USER MOD Single : A 69 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.5!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= -7.78! USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.284 USER MOD Single : A 86 GLN : amide:sc= -0.608 K(o=-0.61,f=-2.2!) USER MOD Single : A 89 GLN : amide:sc= -0.816 X(o=-0.82,f=-1.1!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -14.949 4.365 6.957 1.00 0.00 N ATOM 2 CA MET A 0 -13.616 3.948 6.544 1.00 0.00 C ATOM 3 C MET A 0 -12.737 5.170 6.347 1.00 0.00 C ATOM 4 O MET A 0 -13.209 6.306 6.429 1.00 0.00 O ATOM 5 CB MET A 0 -13.647 3.163 5.224 1.00 0.00 C ATOM 6 CG MET A 0 -14.828 2.219 5.054 1.00 0.00 C ATOM 7 SD MET A 0 -16.367 3.073 4.657 1.00 0.00 S ATOM 8 CE MET A 0 -17.483 1.685 4.490 1.00 0.00 C ATOM 0 H1 MET A 0 -15.305 3.715 7.687 1.00 0.00 H new ATOM 0 H2 MET A 0 -14.907 5.330 7.343 1.00 0.00 H new ATOM 0 H3 MET A 0 -15.588 4.348 6.137 1.00 0.00 H new ATOM 0 HA MET A 0 -13.220 3.303 7.328 1.00 0.00 H new ATOM 0 HB2 MET A 0 -13.650 3.874 4.398 1.00 0.00 H new ATOM 0 HB3 MET A 0 -12.727 2.585 5.143 1.00 0.00 H new ATOM 0 HG2 MET A 0 -14.602 1.503 4.263 1.00 0.00 H new ATOM 0 HG3 MET A 0 -14.963 1.647 5.972 1.00 0.00 H new ATOM 0 HE1 MET A 0 -18.481 2.048 4.244 1.00 0.00 H new ATOM 0 HE2 MET A 0 -17.130 1.028 3.695 1.00 0.00 H new ATOM 0 HE3 MET A 0 -17.519 1.132 5.429 1.00 0.00 H new ATOM 18 N TYR A 1 -11.465 4.937 6.085 1.00 0.00 N ATOM 19 CA TYR A 1 -10.573 6.010 5.698 1.00 0.00 C ATOM 20 C TYR A 1 -10.493 6.045 4.186 1.00 0.00 C ATOM 21 O TYR A 1 -10.422 4.994 3.542 1.00 0.00 O ATOM 22 CB TYR A 1 -9.165 5.815 6.256 1.00 0.00 C ATOM 23 CG TYR A 1 -9.088 5.478 7.732 1.00 0.00 C ATOM 24 CD1 TYR A 1 -9.254 4.174 8.197 1.00 0.00 C ATOM 25 CD2 TYR A 1 -8.813 6.469 8.663 1.00 0.00 C ATOM 26 CE1 TYR A 1 -9.146 3.882 9.544 1.00 0.00 C ATOM 27 CE2 TYR A 1 -8.702 6.180 10.007 1.00 0.00 C ATOM 28 CZ TYR A 1 -8.866 4.885 10.441 1.00 0.00 C ATOM 29 OH TYR A 1 -8.749 4.594 11.780 1.00 0.00 O ATOM 0 H TYR A 1 -11.028 4.016 6.133 1.00 0.00 H new ATOM 0 HA TYR A 1 -10.969 6.942 6.101 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -8.677 5.019 5.694 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -8.594 6.726 6.079 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -9.470 3.382 7.496 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -8.683 7.488 8.329 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -9.281 2.868 9.891 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -8.487 6.967 10.715 1.00 0.00 H new ATOM 0 HH TYR A 1 -8.548 5.415 12.277 1.00 0.00 H new ATOM 39 N LYS A 2 -10.508 7.233 3.618 1.00 0.00 N ATOM 40 CA LYS A 2 -10.391 7.367 2.180 1.00 0.00 C ATOM 41 C LYS A 2 -8.935 7.388 1.779 1.00 0.00 C ATOM 42 O LYS A 2 -8.168 8.252 2.197 1.00 0.00 O ATOM 43 CB LYS A 2 -11.105 8.620 1.674 1.00 0.00 C ATOM 44 CG LYS A 2 -12.605 8.443 1.532 1.00 0.00 C ATOM 45 CD LYS A 2 -13.280 9.724 1.074 1.00 0.00 C ATOM 46 CE LYS A 2 -14.795 9.593 1.089 1.00 0.00 C ATOM 47 NZ LYS A 2 -15.464 10.814 0.562 1.00 0.00 N ATOM 0 H LYS A 2 -10.599 8.114 4.125 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.875 6.505 1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.907 9.444 2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.687 8.902 0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.812 7.647 0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.027 8.131 2.487 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.979 10.547 1.722 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.945 9.973 0.067 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.091 8.731 0.491 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.133 9.405 2.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.495 10.684 0.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.203 11.633 1.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.162 10.979 -0.419 1.00 0.00 H new ATOM 61 N VAL A 3 -8.548 6.403 1.005 1.00 0.00 N ATOM 62 CA VAL A 3 -7.199 6.320 0.516 1.00 0.00 C ATOM 63 C VAL A 3 -7.189 6.352 -1.003 1.00 0.00 C ATOM 64 O VAL A 3 -7.845 5.551 -1.668 1.00 0.00 O ATOM 65 CB VAL A 3 -6.476 5.073 1.081 1.00 0.00 C ATOM 66 CG1 VAL A 3 -7.454 4.184 1.824 1.00 0.00 C ATOM 67 CG2 VAL A 3 -5.741 4.284 0.009 1.00 0.00 C ATOM 0 H VAL A 3 -9.156 5.643 0.700 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.643 7.189 0.868 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.720 5.434 1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.929 3.312 2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -7.897 4.741 2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.240 3.859 1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.253 3.421 0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.452 3.944 -0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.991 4.920 -0.461 1.00 0.00 H new ATOM 77 N THR A 4 -6.486 7.327 -1.535 1.00 0.00 N ATOM 78 CA THR A 4 -6.342 7.482 -2.963 1.00 0.00 C ATOM 79 C THR A 4 -5.152 6.681 -3.442 1.00 0.00 C ATOM 80 O THR A 4 -4.013 7.063 -3.215 1.00 0.00 O ATOM 81 CB THR A 4 -6.142 8.959 -3.326 1.00 0.00 C ATOM 82 OG1 THR A 4 -7.202 9.743 -2.762 1.00 0.00 O ATOM 83 CG2 THR A 4 -6.106 9.157 -4.833 1.00 0.00 C ATOM 0 H THR A 4 -5.998 8.035 -0.987 1.00 0.00 H new ATOM 0 HA THR A 4 -7.249 7.120 -3.447 1.00 0.00 H new ATOM 0 HB THR A 4 -5.185 9.282 -2.917 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.056 9.472 -3.159 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.963 10.214 -5.058 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.283 8.582 -5.256 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.046 8.818 -5.267 1.00 0.00 H new ATOM 91 N LEU A 5 -5.397 5.569 -4.092 1.00 0.00 N ATOM 92 CA LEU A 5 -4.304 4.751 -4.536 1.00 0.00 C ATOM 93 C LEU A 5 -3.761 5.253 -5.843 1.00 0.00 C ATOM 94 O LEU A 5 -4.498 5.502 -6.796 1.00 0.00 O ATOM 95 CB LEU A 5 -4.687 3.282 -4.636 1.00 0.00 C ATOM 96 CG LEU A 5 -4.778 2.575 -3.288 1.00 0.00 C ATOM 97 CD1 LEU A 5 -6.221 2.354 -2.905 1.00 0.00 C ATOM 98 CD2 LEU A 5 -4.015 1.262 -3.314 1.00 0.00 C ATOM 0 H LEU A 5 -6.327 5.218 -4.320 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.520 4.825 -3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.648 3.201 -5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.954 2.767 -5.257 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.319 3.213 -2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.268 1.848 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.730 3.315 -2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.708 1.739 -3.661 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.094 0.776 -2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.436 0.611 -4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.966 1.455 -3.539 1.00 0.00 H new ATOM 110 N LYS A 6 -2.457 5.402 -5.863 1.00 0.00 N ATOM 111 CA LYS A 6 -1.764 5.890 -7.022 1.00 0.00 C ATOM 112 C LYS A 6 -1.269 4.715 -7.826 1.00 0.00 C ATOM 113 O LYS A 6 -0.347 3.989 -7.440 1.00 0.00 O ATOM 114 CB LYS A 6 -0.602 6.771 -6.587 1.00 0.00 C ATOM 115 CG LYS A 6 -0.999 7.740 -5.495 1.00 0.00 C ATOM 116 CD LYS A 6 -1.993 8.773 -5.998 1.00 0.00 C ATOM 117 CE LYS A 6 -1.304 9.905 -6.729 1.00 0.00 C ATOM 118 NZ LYS A 6 -0.594 10.833 -5.812 1.00 0.00 N ATOM 0 H LYS A 6 -1.850 5.187 -5.072 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.436 6.486 -7.639 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.216 6.143 -6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.228 7.328 -7.446 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.435 7.190 -4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.111 8.244 -5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.710 8.293 -6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.558 9.174 -5.157 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.592 9.491 -7.443 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.043 10.464 -7.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.306 11.126 -6.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.185 11.672 -5.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.405 10.352 -4.909 1.00 0.00 H new ATOM 132 N THR A 7 -1.927 4.530 -8.931 1.00 0.00 N ATOM 133 CA THR A 7 -1.667 3.428 -9.820 1.00 0.00 C ATOM 134 C THR A 7 -0.832 3.920 -10.990 1.00 0.00 C ATOM 135 O THR A 7 -0.751 5.123 -11.238 1.00 0.00 O ATOM 136 CB THR A 7 -2.990 2.824 -10.347 1.00 0.00 C ATOM 137 OG1 THR A 7 -3.668 3.780 -11.168 1.00 0.00 O ATOM 138 CG2 THR A 7 -3.909 2.411 -9.203 1.00 0.00 C ATOM 0 H THR A 7 -2.673 5.149 -9.249 1.00 0.00 H new ATOM 0 HA THR A 7 -1.128 2.654 -9.274 1.00 0.00 H new ATOM 0 HB THR A 7 -2.741 1.937 -10.930 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.504 3.391 -11.500 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.829 1.991 -9.609 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.410 1.663 -8.587 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.146 3.283 -8.594 1.00 0.00 H new ATOM 146 N PRO A 8 -0.178 3.002 -11.702 1.00 0.00 N ATOM 147 CA PRO A 8 0.559 3.325 -12.928 1.00 0.00 C ATOM 148 C PRO A 8 -0.345 3.882 -14.032 1.00 0.00 C ATOM 149 O PRO A 8 0.133 4.247 -15.107 1.00 0.00 O ATOM 150 CB PRO A 8 1.161 1.987 -13.354 1.00 0.00 C ATOM 151 CG PRO A 8 1.126 1.130 -12.134 1.00 0.00 C ATOM 152 CD PRO A 8 -0.059 1.583 -11.340 1.00 0.00 C ATOM 0 HA PRO A 8 1.302 4.104 -12.754 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.588 1.539 -14.165 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.181 2.113 -13.716 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.037 0.077 -12.400 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.045 1.236 -11.557 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.957 1.023 -11.601 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.099 1.452 -10.269 1.00 0.00 H new ATOM 160 N SER A 9 -1.647 3.931 -13.768 1.00 0.00 N ATOM 161 CA SER A 9 -2.609 4.466 -14.710 1.00 0.00 C ATOM 162 C SER A 9 -3.188 5.798 -14.220 1.00 0.00 C ATOM 163 O SER A 9 -3.533 6.669 -15.021 1.00 0.00 O ATOM 164 CB SER A 9 -3.725 3.451 -14.903 1.00 0.00 C ATOM 165 OG SER A 9 -3.205 2.201 -15.322 1.00 0.00 O ATOM 0 H SER A 9 -2.059 3.600 -12.895 1.00 0.00 H new ATOM 0 HA SER A 9 -2.106 4.655 -15.658 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.274 3.327 -13.970 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.434 3.821 -15.643 1.00 0.00 H new ATOM 0 HG SER A 9 -3.940 1.563 -15.438 1.00 0.00 H new ATOM 171 N GLY A 10 -3.301 5.948 -12.905 1.00 0.00 N ATOM 172 CA GLY A 10 -3.856 7.164 -12.341 1.00 0.00 C ATOM 173 C GLY A 10 -3.997 7.086 -10.833 1.00 0.00 C ATOM 174 O GLY A 10 -3.085 6.632 -10.144 1.00 0.00 O ATOM 0 H GLY A 10 -3.018 5.248 -12.219 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.216 8.007 -12.601 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.833 7.356 -12.786 1.00 0.00 H new ATOM 178 N ASP A 11 -5.135 7.527 -10.317 1.00 0.00 N ATOM 179 CA ASP A 11 -5.397 7.501 -8.885 1.00 0.00 C ATOM 180 C ASP A 11 -6.882 7.314 -8.611 1.00 0.00 C ATOM 181 O ASP A 11 -7.728 7.879 -9.304 1.00 0.00 O ATOM 182 CB ASP A 11 -4.895 8.789 -8.226 1.00 0.00 C ATOM 183 CG ASP A 11 -5.485 10.046 -8.834 1.00 0.00 C ATOM 184 OD1 ASP A 11 -6.569 10.483 -8.396 1.00 0.00 O ATOM 185 OD2 ASP A 11 -4.856 10.612 -9.754 1.00 0.00 O ATOM 0 H ASP A 11 -5.898 7.911 -10.875 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.859 6.655 -8.456 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.134 8.762 -7.163 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.809 8.830 -8.307 1.00 0.00 H new ATOM 190 N LYS A 12 -7.188 6.496 -7.616 1.00 0.00 N ATOM 191 CA LYS A 12 -8.570 6.228 -7.239 1.00 0.00 C ATOM 192 C LYS A 12 -8.705 6.167 -5.727 1.00 0.00 C ATOM 193 O LYS A 12 -7.908 5.525 -5.046 1.00 0.00 O ATOM 194 CB LYS A 12 -9.028 4.903 -7.836 1.00 0.00 C ATOM 195 CG LYS A 12 -10.501 4.573 -7.605 1.00 0.00 C ATOM 196 CD LYS A 12 -11.411 5.408 -8.486 1.00 0.00 C ATOM 197 CE LYS A 12 -11.278 5.009 -9.947 1.00 0.00 C ATOM 198 NZ LYS A 12 -12.135 5.836 -10.836 1.00 0.00 N ATOM 0 H LYS A 12 -6.496 6.003 -7.052 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.192 7.036 -7.623 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.837 4.919 -8.909 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.420 4.102 -7.416 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.672 3.515 -7.805 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.752 4.744 -6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.445 5.285 -8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.165 6.464 -8.371 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.237 5.107 -10.255 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.547 3.959 -10.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.011 5.528 -11.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.131 5.723 -10.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.863 6.836 -10.749 1.00 0.00 H new ATOM 212 N THR A 13 -9.720 6.825 -5.215 1.00 0.00 N ATOM 213 CA THR A 13 -9.992 6.831 -3.792 1.00 0.00 C ATOM 214 C THR A 13 -10.882 5.674 -3.409 1.00 0.00 C ATOM 215 O THR A 13 -11.970 5.484 -3.955 1.00 0.00 O ATOM 216 CB THR A 13 -10.648 8.147 -3.368 1.00 0.00 C ATOM 217 OG1 THR A 13 -9.792 9.244 -3.717 1.00 0.00 O ATOM 218 CG2 THR A 13 -10.927 8.164 -1.870 1.00 0.00 C ATOM 0 H THR A 13 -10.380 7.370 -5.770 1.00 0.00 H new ATOM 0 HA THR A 13 -9.038 6.729 -3.274 1.00 0.00 H new ATOM 0 HB THR A 13 -11.600 8.242 -3.891 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.213 10.087 -3.447 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.393 9.111 -1.597 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.597 7.343 -1.615 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.990 8.050 -1.324 1.00 0.00 H new ATOM 226 N ILE A 14 -10.392 4.899 -2.473 1.00 0.00 N ATOM 227 CA ILE A 14 -11.102 3.763 -1.972 1.00 0.00 C ATOM 228 C ILE A 14 -11.545 4.026 -0.542 1.00 0.00 C ATOM 229 O ILE A 14 -11.099 4.990 0.086 1.00 0.00 O ATOM 230 CB ILE A 14 -10.201 2.523 -1.993 1.00 0.00 C ATOM 231 CG1 ILE A 14 -9.068 2.682 -0.995 1.00 0.00 C ATOM 232 CG2 ILE A 14 -9.622 2.318 -3.367 1.00 0.00 C ATOM 233 CD1 ILE A 14 -8.540 1.371 -0.462 1.00 0.00 C ATOM 0 H ILE A 14 -9.481 5.046 -2.038 1.00 0.00 H new ATOM 0 HA ILE A 14 -11.972 3.589 -2.605 1.00 0.00 H new ATOM 0 HB ILE A 14 -10.806 1.657 -1.724 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -8.252 3.226 -1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -9.414 3.291 -0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -8.985 1.434 -3.365 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -10.430 2.181 -4.086 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -9.031 3.190 -3.647 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.733 1.564 0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -9.343 0.833 0.042 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -8.162 0.768 -1.288 1.00 0.00 H new ATOM 245 N GLU A 15 -12.403 3.167 -0.029 1.00 0.00 N ATOM 246 CA GLU A 15 -12.826 3.257 1.354 1.00 0.00 C ATOM 247 C GLU A 15 -12.330 2.036 2.101 1.00 0.00 C ATOM 248 O GLU A 15 -12.928 0.963 2.022 1.00 0.00 O ATOM 249 CB GLU A 15 -14.349 3.358 1.444 1.00 0.00 C ATOM 250 CG GLU A 15 -14.919 4.579 0.744 1.00 0.00 C ATOM 251 CD GLU A 15 -16.427 4.637 0.814 1.00 0.00 C ATOM 252 OE1 GLU A 15 -17.090 4.004 -0.038 1.00 0.00 O ATOM 253 OE2 GLU A 15 -16.960 5.312 1.715 1.00 0.00 O ATOM 0 H GLU A 15 -12.822 2.397 -0.551 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.404 4.155 1.805 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.791 2.461 1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.642 3.381 2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.503 5.480 1.196 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.607 4.573 -0.300 1.00 0.00 H new ATOM 260 N CYS A 16 -11.233 2.201 2.822 1.00 0.00 N ATOM 261 CA CYS A 16 -10.619 1.090 3.508 1.00 0.00 C ATOM 262 C CYS A 16 -10.963 1.126 4.985 1.00 0.00 C ATOM 263 O CYS A 16 -10.567 2.045 5.706 1.00 0.00 O ATOM 264 CB CYS A 16 -9.110 1.112 3.325 1.00 0.00 C ATOM 265 SG CYS A 16 -8.353 -0.512 3.465 1.00 0.00 S ATOM 0 H CYS A 16 -10.755 3.094 2.944 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.007 0.167 3.077 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -8.876 1.531 2.346 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.670 1.776 4.070 1.00 0.00 H new ATOM 0 HG CYS A 16 -8.790 -1.104 4.537 1.00 0.00 H new ATOM 271 N PRO A 17 -11.750 0.146 5.436 1.00 0.00 N ATOM 272 CA PRO A 17 -12.119 0.009 6.844 1.00 0.00 C ATOM 273 C PRO A 17 -10.914 -0.226 7.739 1.00 0.00 C ATOM 274 O PRO A 17 -9.875 -0.717 7.298 1.00 0.00 O ATOM 275 CB PRO A 17 -13.028 -1.221 6.863 1.00 0.00 C ATOM 276 CG PRO A 17 -13.499 -1.372 5.464 1.00 0.00 C ATOM 277 CD PRO A 17 -12.366 -0.899 4.605 1.00 0.00 C ATOM 0 HA PRO A 17 -12.592 0.915 7.223 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.487 -2.107 7.195 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -13.864 -1.083 7.548 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.751 -2.410 5.245 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.398 -0.782 5.287 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -11.665 -1.703 4.379 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.717 -0.505 3.651 1.00 0.00 H new ATOM 285 N ALA A 18 -11.090 0.093 9.008 1.00 0.00 N ATOM 286 CA ALA A 18 -10.030 -0.019 10.002 1.00 0.00 C ATOM 287 C ALA A 18 -9.772 -1.472 10.393 1.00 0.00 C ATOM 288 O ALA A 18 -9.073 -1.747 11.369 1.00 0.00 O ATOM 289 CB ALA A 18 -10.372 0.813 11.228 1.00 0.00 C ATOM 0 H ALA A 18 -11.973 0.438 9.383 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.112 0.365 9.556 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.573 0.722 11.964 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.482 1.858 10.939 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -11.307 0.456 11.661 1.00 0.00 H new ATOM 295 N ASP A 19 -10.377 -2.398 9.660 1.00 0.00 N ATOM 296 CA ASP A 19 -10.161 -3.823 9.889 1.00 0.00 C ATOM 297 C ASP A 19 -9.880 -4.569 8.587 1.00 0.00 C ATOM 298 O ASP A 19 -9.436 -5.718 8.599 1.00 0.00 O ATOM 299 CB ASP A 19 -11.357 -4.456 10.575 1.00 0.00 C ATOM 300 CG ASP A 19 -11.533 -4.015 12.014 1.00 0.00 C ATOM 301 OD1 ASP A 19 -10.950 -4.659 12.910 1.00 0.00 O ATOM 302 OD2 ASP A 19 -12.266 -3.029 12.261 1.00 0.00 O ATOM 0 H ASP A 19 -11.023 -2.188 8.899 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.288 -3.905 10.536 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -12.259 -4.210 10.015 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.250 -5.540 10.546 1.00 0.00 H new ATOM 307 N THR A 20 -10.128 -3.910 7.467 1.00 0.00 N ATOM 308 CA THR A 20 -9.991 -4.528 6.162 1.00 0.00 C ATOM 309 C THR A 20 -8.826 -3.896 5.422 1.00 0.00 C ATOM 310 O THR A 20 -8.753 -2.677 5.311 1.00 0.00 O ATOM 311 CB THR A 20 -11.288 -4.367 5.343 1.00 0.00 C ATOM 312 OG1 THR A 20 -12.332 -5.170 5.909 1.00 0.00 O ATOM 313 CG2 THR A 20 -11.076 -4.746 3.887 1.00 0.00 C ATOM 0 H THR A 20 -10.429 -2.936 7.438 1.00 0.00 H new ATOM 0 HA THR A 20 -9.802 -5.593 6.296 1.00 0.00 H new ATOM 0 HB THR A 20 -11.578 -3.317 5.380 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.151 -5.059 5.383 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.010 -4.621 3.339 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.311 -4.104 3.452 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.755 -5.786 3.825 1.00 0.00 H new ATOM 321 N TYR A 21 -7.920 -4.730 4.932 1.00 0.00 N ATOM 322 CA TYR A 21 -6.680 -4.255 4.333 1.00 0.00 C ATOM 323 C TYR A 21 -6.943 -3.553 3.002 1.00 0.00 C ATOM 324 O TYR A 21 -7.883 -3.911 2.287 1.00 0.00 O ATOM 325 CB TYR A 21 -5.710 -5.414 4.139 1.00 0.00 C ATOM 326 CG TYR A 21 -5.764 -6.461 5.232 1.00 0.00 C ATOM 327 CD1 TYR A 21 -5.254 -6.207 6.498 1.00 0.00 C ATOM 328 CD2 TYR A 21 -6.319 -7.709 4.989 1.00 0.00 C ATOM 329 CE1 TYR A 21 -5.297 -7.167 7.491 1.00 0.00 C ATOM 330 CE2 TYR A 21 -6.368 -8.673 5.976 1.00 0.00 C ATOM 331 CZ TYR A 21 -5.856 -8.398 7.224 1.00 0.00 C ATOM 332 OH TYR A 21 -5.900 -9.359 8.207 1.00 0.00 O ATOM 0 H TYR A 21 -8.021 -5.745 4.938 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.233 -3.530 5.012 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.921 -5.893 3.183 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.696 -5.018 4.081 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.816 -5.243 6.710 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.720 -7.930 4.011 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.895 -6.954 8.470 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.806 -9.638 5.770 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.327 -10.168 7.855 1.00 0.00 H new ATOM 342 N ILE A 22 -6.099 -2.566 2.681 1.00 0.00 N ATOM 343 CA ILE A 22 -6.308 -1.676 1.532 1.00 0.00 C ATOM 344 C ILE A 22 -6.687 -2.436 0.271 1.00 0.00 C ATOM 345 O ILE A 22 -7.653 -2.074 -0.383 1.00 0.00 O ATOM 346 CB ILE A 22 -5.051 -0.819 1.241 1.00 0.00 C ATOM 347 CG1 ILE A 22 -4.827 0.177 2.376 1.00 0.00 C ATOM 348 CG2 ILE A 22 -5.208 -0.075 -0.077 1.00 0.00 C ATOM 349 CD1 ILE A 22 -3.370 0.441 2.712 1.00 0.00 C ATOM 0 H ILE A 22 -5.251 -2.361 3.210 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.138 -1.025 1.808 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.188 -1.480 1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.301 1.122 2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.330 -0.192 3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.316 0.522 -0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.342 -0.793 -0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.078 0.579 -0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.310 1.160 3.529 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.891 -0.491 3.013 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.862 0.844 1.836 1.00 0.00 H new ATOM 361 N LEU A 23 -5.951 -3.504 -0.036 1.00 0.00 N ATOM 362 CA LEU A 23 -6.085 -4.192 -1.324 1.00 0.00 C ATOM 363 C LEU A 23 -7.528 -4.582 -1.637 1.00 0.00 C ATOM 364 O LEU A 23 -7.923 -4.558 -2.795 1.00 0.00 O ATOM 365 CB LEU A 23 -5.190 -5.436 -1.416 1.00 0.00 C ATOM 366 CG LEU A 23 -5.647 -6.672 -0.630 1.00 0.00 C ATOM 367 CD1 LEU A 23 -4.788 -7.874 -0.989 1.00 0.00 C ATOM 368 CD2 LEU A 23 -5.594 -6.422 0.866 1.00 0.00 C ATOM 0 H LEU A 23 -5.256 -3.913 0.588 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.756 -3.468 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.101 -5.714 -2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.192 -5.164 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.682 -6.879 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.124 -8.743 -0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.876 -8.079 -2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.747 -7.663 -0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.924 -7.316 1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.572 -6.183 1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.249 -5.588 1.119 1.00 0.00 H new ATOM 380 N ASP A 24 -8.312 -4.915 -0.616 1.00 0.00 N ATOM 381 CA ASP A 24 -9.696 -5.343 -0.828 1.00 0.00 C ATOM 382 C ASP A 24 -10.511 -4.212 -1.443 1.00 0.00 C ATOM 383 O ASP A 24 -11.186 -4.381 -2.456 1.00 0.00 O ATOM 384 CB ASP A 24 -10.332 -5.770 0.492 1.00 0.00 C ATOM 385 CG ASP A 24 -11.659 -6.472 0.294 1.00 0.00 C ATOM 386 OD1 ASP A 24 -12.701 -5.788 0.221 1.00 0.00 O ATOM 387 OD2 ASP A 24 -11.668 -7.720 0.216 1.00 0.00 O ATOM 0 H ASP A 24 -8.018 -4.898 0.361 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.689 -6.193 -1.510 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.649 -6.433 1.023 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.479 -4.893 1.122 1.00 0.00 H new ATOM 392 N ALA A 25 -10.423 -3.054 -0.818 1.00 0.00 N ATOM 393 CA ALA A 25 -11.083 -1.854 -1.303 1.00 0.00 C ATOM 394 C ALA A 25 -10.368 -1.328 -2.538 1.00 0.00 C ATOM 395 O ALA A 25 -10.975 -0.700 -3.408 1.00 0.00 O ATOM 396 CB ALA A 25 -11.118 -0.817 -0.197 1.00 0.00 C ATOM 0 H ALA A 25 -9.892 -2.917 0.042 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.109 -2.086 -1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.613 0.084 -0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.667 -1.214 0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.100 -0.575 0.107 1.00 0.00 H new ATOM 402 N ALA A 26 -9.070 -1.588 -2.593 1.00 0.00 N ATOM 403 CA ALA A 26 -8.236 -1.197 -3.716 1.00 0.00 C ATOM 404 C ALA A 26 -8.744 -1.819 -5.016 1.00 0.00 C ATOM 405 O ALA A 26 -9.014 -1.120 -5.990 1.00 0.00 O ATOM 406 CB ALA A 26 -6.795 -1.609 -3.468 1.00 0.00 C ATOM 0 H ALA A 26 -8.565 -2.079 -1.855 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.284 -0.112 -3.814 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.180 -1.310 -4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.428 -1.122 -2.565 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.742 -2.691 -3.344 1.00 0.00 H new ATOM 412 N GLU A 27 -8.900 -3.141 -5.017 1.00 0.00 N ATOM 413 CA GLU A 27 -9.378 -3.850 -6.188 1.00 0.00 C ATOM 414 C GLU A 27 -10.838 -3.502 -6.459 1.00 0.00 C ATOM 415 O GLU A 27 -11.276 -3.469 -7.608 1.00 0.00 O ATOM 416 CB GLU A 27 -9.206 -5.358 -6.010 1.00 0.00 C ATOM 417 CG GLU A 27 -9.681 -5.879 -4.665 1.00 0.00 C ATOM 418 CD GLU A 27 -9.940 -7.369 -4.665 1.00 0.00 C ATOM 419 OE1 GLU A 27 -10.899 -7.807 -5.336 1.00 0.00 O ATOM 420 OE2 GLU A 27 -9.197 -8.110 -3.991 1.00 0.00 O ATOM 0 H GLU A 27 -8.700 -3.739 -4.215 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.785 -3.539 -7.048 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.753 -5.872 -6.801 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.153 -5.611 -6.135 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.933 -5.646 -3.907 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.595 -5.357 -4.382 1.00 0.00 H new ATOM 427 N GLU A 28 -11.574 -3.239 -5.385 1.00 0.00 N ATOM 428 CA GLU A 28 -12.966 -2.803 -5.468 1.00 0.00 C ATOM 429 C GLU A 28 -13.063 -1.515 -6.272 1.00 0.00 C ATOM 430 O GLU A 28 -13.972 -1.319 -7.080 1.00 0.00 O ATOM 431 CB GLU A 28 -13.487 -2.546 -4.061 1.00 0.00 C ATOM 432 CG GLU A 28 -14.953 -2.887 -3.863 1.00 0.00 C ATOM 433 CD GLU A 28 -15.402 -2.670 -2.434 1.00 0.00 C ATOM 434 OE1 GLU A 28 -15.763 -1.528 -2.088 1.00 0.00 O ATOM 435 OE2 GLU A 28 -15.390 -3.639 -1.647 1.00 0.00 O ATOM 0 H GLU A 28 -11.223 -3.322 -4.431 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.557 -3.578 -5.957 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.893 -3.126 -3.355 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.335 -1.495 -3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.560 -2.275 -4.530 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.123 -3.927 -4.142 1.00 0.00 H new ATOM 442 N ALA A 29 -12.096 -0.651 -6.024 1.00 0.00 N ATOM 443 CA ALA A 29 -12.013 0.661 -6.664 1.00 0.00 C ATOM 444 C ALA A 29 -11.783 0.571 -8.171 1.00 0.00 C ATOM 445 O ALA A 29 -12.147 1.483 -8.916 1.00 0.00 O ATOM 446 CB ALA A 29 -10.899 1.446 -6.023 1.00 0.00 C ATOM 0 H ALA A 29 -11.337 -0.836 -5.368 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.971 1.161 -6.522 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.828 2.427 -6.493 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -11.104 1.567 -4.959 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.957 0.913 -6.152 1.00 0.00 H new ATOM 452 N GLY A 30 -11.168 -0.514 -8.621 1.00 0.00 N ATOM 453 CA GLY A 30 -10.981 -0.706 -10.045 1.00 0.00 C ATOM 454 C GLY A 30 -9.541 -0.566 -10.477 1.00 0.00 C ATOM 455 O GLY A 30 -9.258 -0.277 -11.642 1.00 0.00 O ATOM 0 H GLY A 30 -10.798 -1.259 -8.031 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.343 -1.696 -10.323 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.589 0.019 -10.586 1.00 0.00 H new ATOM 459 N LEU A 31 -8.625 -0.765 -9.546 1.00 0.00 N ATOM 460 CA LEU A 31 -7.208 -0.641 -9.843 1.00 0.00 C ATOM 461 C LEU A 31 -6.682 -1.920 -10.468 1.00 0.00 C ATOM 462 O LEU A 31 -7.313 -2.974 -10.384 1.00 0.00 O ATOM 463 CB LEU A 31 -6.421 -0.380 -8.564 1.00 0.00 C ATOM 464 CG LEU A 31 -7.108 0.499 -7.530 1.00 0.00 C ATOM 465 CD1 LEU A 31 -6.198 0.695 -6.342 1.00 0.00 C ATOM 466 CD2 LEU A 31 -7.516 1.836 -8.117 1.00 0.00 C ATOM 0 H LEU A 31 -8.836 -1.013 -8.579 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.085 0.190 -10.537 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.189 -1.339 -8.101 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.471 0.082 -8.833 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.019 -0.004 -7.206 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.694 1.325 -5.604 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.967 -0.273 -5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.274 1.174 -6.666 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.004 2.437 -7.349 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.631 2.359 -8.480 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.207 1.674 -8.944 1.00 0.00 H new ATOM 478 N ASP A 32 -5.507 -1.822 -11.066 1.00 0.00 N ATOM 479 CA ASP A 32 -4.771 -2.986 -11.542 1.00 0.00 C ATOM 480 C ASP A 32 -4.045 -3.624 -10.361 1.00 0.00 C ATOM 481 O ASP A 32 -2.901 -4.053 -10.453 1.00 0.00 O ATOM 482 CB ASP A 32 -3.789 -2.559 -12.640 1.00 0.00 C ATOM 483 CG ASP A 32 -2.913 -3.690 -13.154 1.00 0.00 C ATOM 484 OD1 ASP A 32 -3.458 -4.693 -13.657 1.00 0.00 O ATOM 485 OD2 ASP A 32 -1.670 -3.578 -13.044 1.00 0.00 O ATOM 0 H ASP A 32 -5.034 -0.934 -11.236 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.452 -3.721 -11.971 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.351 -2.140 -13.474 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.151 -1.764 -12.254 1.00 0.00 H new ATOM 490 N LEU A 33 -4.732 -3.658 -9.238 1.00 0.00 N ATOM 491 CA LEU A 33 -4.161 -4.141 -7.996 1.00 0.00 C ATOM 492 C LEU A 33 -4.164 -5.664 -7.973 1.00 0.00 C ATOM 493 O LEU A 33 -5.224 -6.294 -7.965 1.00 0.00 O ATOM 494 CB LEU A 33 -4.940 -3.545 -6.805 1.00 0.00 C ATOM 495 CG LEU A 33 -4.531 -3.995 -5.390 1.00 0.00 C ATOM 496 CD1 LEU A 33 -5.253 -5.274 -5.000 1.00 0.00 C ATOM 497 CD2 LEU A 33 -3.022 -4.177 -5.264 1.00 0.00 C ATOM 0 H LEU A 33 -5.702 -3.352 -9.160 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.123 -3.818 -7.916 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.848 -2.460 -6.852 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.995 -3.782 -6.941 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.826 -3.202 -4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.948 -5.572 -3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.329 -5.104 -5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.000 -6.065 -5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.777 -4.495 -4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.686 -4.934 -5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.522 -3.232 -5.479 1.00 0.00 H new ATOM 509 N PRO A 34 -2.969 -6.267 -8.001 1.00 0.00 N ATOM 510 CA PRO A 34 -2.813 -7.715 -7.885 1.00 0.00 C ATOM 511 C PRO A 34 -3.106 -8.205 -6.474 1.00 0.00 C ATOM 512 O PRO A 34 -2.533 -7.710 -5.503 1.00 0.00 O ATOM 513 CB PRO A 34 -1.337 -7.932 -8.216 1.00 0.00 C ATOM 514 CG PRO A 34 -0.691 -6.663 -7.792 1.00 0.00 C ATOM 515 CD PRO A 34 -1.666 -5.592 -8.164 1.00 0.00 C ATOM 0 HA PRO A 34 -3.499 -8.258 -8.535 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.928 -8.788 -7.680 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.189 -8.121 -9.279 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.491 -6.660 -6.721 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.265 -6.519 -8.295 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.577 -4.721 -7.515 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.515 -5.245 -9.186 1.00 0.00 H new ATOM 523 N TYR A 35 -4.000 -9.163 -6.356 1.00 0.00 N ATOM 524 CA TYR A 35 -4.262 -9.786 -5.073 1.00 0.00 C ATOM 525 C TYR A 35 -4.139 -11.292 -5.215 1.00 0.00 C ATOM 526 O TYR A 35 -4.554 -11.862 -6.225 1.00 0.00 O ATOM 527 CB TYR A 35 -5.643 -9.389 -4.540 1.00 0.00 C ATOM 528 CG TYR A 35 -6.800 -9.770 -5.439 1.00 0.00 C ATOM 529 CD1 TYR A 35 -7.131 -9.002 -6.550 1.00 0.00 C ATOM 530 CD2 TYR A 35 -7.571 -10.893 -5.167 1.00 0.00 C ATOM 531 CE1 TYR A 35 -8.192 -9.346 -7.363 1.00 0.00 C ATOM 532 CE2 TYR A 35 -8.634 -11.241 -5.974 1.00 0.00 C ATOM 533 CZ TYR A 35 -8.942 -10.465 -7.070 1.00 0.00 C ATOM 534 OH TYR A 35 -10.006 -10.808 -7.874 1.00 0.00 O ATOM 0 H TYR A 35 -4.557 -9.528 -7.129 1.00 0.00 H new ATOM 0 HA TYR A 35 -3.527 -9.437 -4.348 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.789 -9.854 -3.565 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.661 -8.310 -4.384 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.549 -8.122 -6.780 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.334 -11.504 -4.309 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.434 -8.741 -8.225 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -9.222 -12.118 -5.748 1.00 0.00 H new ATOM 0 HH TYR A 35 -10.427 -11.623 -7.529 1.00 0.00 H new ATOM 544 N SER A 36 -3.566 -11.935 -4.215 1.00 0.00 N ATOM 545 CA SER A 36 -3.285 -13.355 -4.306 1.00 0.00 C ATOM 546 C SER A 36 -3.495 -14.055 -2.968 1.00 0.00 C ATOM 547 O SER A 36 -4.312 -14.970 -2.863 1.00 0.00 O ATOM 548 CB SER A 36 -1.850 -13.564 -4.797 1.00 0.00 C ATOM 549 OG SER A 36 -1.625 -12.892 -6.029 1.00 0.00 O ATOM 0 H SER A 36 -3.288 -11.500 -3.336 1.00 0.00 H new ATOM 0 HA SER A 36 -3.982 -13.796 -5.019 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.149 -13.198 -4.047 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.657 -14.630 -4.920 1.00 0.00 H new ATOM 0 HG SER A 36 -0.701 -13.041 -6.319 1.00 0.00 H new ATOM 555 N CYS A 37 -2.761 -13.632 -1.949 1.00 0.00 N ATOM 556 CA CYS A 37 -2.825 -14.288 -0.654 1.00 0.00 C ATOM 557 C CYS A 37 -3.605 -13.464 0.360 1.00 0.00 C ATOM 558 O CYS A 37 -4.368 -14.013 1.157 1.00 0.00 O ATOM 559 CB CYS A 37 -1.414 -14.549 -0.129 1.00 0.00 C ATOM 560 SG CYS A 37 -0.417 -13.049 0.077 1.00 0.00 S ATOM 0 H CYS A 37 -2.118 -12.842 -1.994 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.349 -15.234 -0.791 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.483 -15.062 0.830 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.901 -15.223 -0.815 1.00 0.00 H new ATOM 0 HG CYS A 37 0.527 -13.029 -0.817 1.00 0.00 H new ATOM 565 N ARG A 38 -3.391 -12.145 0.327 1.00 0.00 N ATOM 566 CA ARG A 38 -3.956 -11.227 1.313 1.00 0.00 C ATOM 567 C ARG A 38 -3.309 -11.505 2.673 1.00 0.00 C ATOM 568 O ARG A 38 -3.824 -11.130 3.727 1.00 0.00 O ATOM 569 CB ARG A 38 -5.488 -11.359 1.371 1.00 0.00 C ATOM 570 CG ARG A 38 -6.180 -10.286 2.198 1.00 0.00 C ATOM 571 CD ARG A 38 -7.683 -10.511 2.245 1.00 0.00 C ATOM 572 NE ARG A 38 -8.016 -11.837 2.762 1.00 0.00 N ATOM 573 CZ ARG A 38 -9.248 -12.336 2.810 1.00 0.00 C ATOM 574 NH1 ARG A 38 -10.288 -11.611 2.416 1.00 0.00 N ATOM 575 NH2 ARG A 38 -9.438 -13.566 3.262 1.00 0.00 N ATOM 0 H ARG A 38 -2.821 -11.687 -0.384 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.742 -10.198 1.025 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.882 -11.328 0.355 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.741 -12.337 1.781 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.778 -10.288 3.211 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.970 -9.304 1.774 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.145 -9.749 2.873 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.100 -10.396 1.244 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.253 -12.418 3.109 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.147 -10.661 2.072 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.228 -12.004 2.457 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.642 -14.125 3.571 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.380 -13.955 3.302 1.00 0.00 H new ATOM 589 N ALA A 39 -2.152 -12.160 2.627 1.00 0.00 N ATOM 590 CA ALA A 39 -1.432 -12.545 3.829 1.00 0.00 C ATOM 591 C ALA A 39 0.035 -12.141 3.736 1.00 0.00 C ATOM 592 O ALA A 39 0.826 -12.418 4.639 1.00 0.00 O ATOM 593 CB ALA A 39 -1.557 -14.043 4.067 1.00 0.00 C ATOM 0 H ALA A 39 -1.693 -12.436 1.759 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.876 -12.020 4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.012 -14.314 4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.608 -14.306 4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.140 -14.583 3.216 1.00 0.00 H new ATOM 599 N GLY A 40 0.390 -11.481 2.637 1.00 0.00 N ATOM 600 CA GLY A 40 1.745 -10.999 2.458 1.00 0.00 C ATOM 601 C GLY A 40 2.725 -12.112 2.147 1.00 0.00 C ATOM 602 O GLY A 40 3.824 -12.148 2.698 1.00 0.00 O ATOM 0 H GLY A 40 -0.242 -11.271 1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.763 -10.268 1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.065 -10.481 3.362 1.00 0.00 H new ATOM 606 N ALA A 41 2.335 -13.018 1.259 1.00 0.00 N ATOM 607 CA ALA A 41 3.178 -14.153 0.908 1.00 0.00 C ATOM 608 C ALA A 41 4.067 -13.840 -0.291 1.00 0.00 C ATOM 609 O ALA A 41 4.972 -14.609 -0.621 1.00 0.00 O ATOM 610 CB ALA A 41 2.322 -15.372 0.621 1.00 0.00 C ATOM 0 H ALA A 41 1.441 -12.989 0.769 1.00 0.00 H new ATOM 0 HA ALA A 41 3.827 -14.362 1.759 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.963 -16.214 0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.737 -15.622 1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.649 -15.157 -0.209 1.00 0.00 H new ATOM 616 N CYS A 42 3.810 -12.715 -0.937 1.00 0.00 N ATOM 617 CA CYS A 42 4.633 -12.265 -2.044 1.00 0.00 C ATOM 618 C CYS A 42 4.981 -10.788 -1.880 1.00 0.00 C ATOM 619 O CYS A 42 4.347 -10.071 -1.105 1.00 0.00 O ATOM 620 CB CYS A 42 3.924 -12.525 -3.383 1.00 0.00 C ATOM 621 SG CYS A 42 2.203 -11.963 -3.468 1.00 0.00 S ATOM 0 H CYS A 42 3.033 -12.094 -0.711 1.00 0.00 H new ATOM 0 HA CYS A 42 5.563 -12.833 -2.043 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.489 -12.035 -4.176 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.950 -13.595 -3.588 1.00 0.00 H new ATOM 0 HG CYS A 42 2.163 -10.669 -3.354 1.00 0.00 H new ATOM 626 N SER A 43 5.998 -10.340 -2.598 1.00 0.00 N ATOM 627 CA SER A 43 6.477 -8.971 -2.476 1.00 0.00 C ATOM 628 C SER A 43 5.938 -8.107 -3.611 1.00 0.00 C ATOM 629 O SER A 43 6.548 -7.107 -3.987 1.00 0.00 O ATOM 630 CB SER A 43 8.005 -8.960 -2.492 1.00 0.00 C ATOM 631 OG SER A 43 8.533 -9.850 -1.521 1.00 0.00 O ATOM 0 H SER A 43 6.510 -10.906 -3.274 1.00 0.00 H new ATOM 0 HA SER A 43 6.120 -8.558 -1.532 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.363 -9.243 -3.482 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.366 -7.950 -2.299 1.00 0.00 H new ATOM 0 HG SER A 43 9.512 -9.825 -1.553 1.00 0.00 H new ATOM 637 N SER A 44 4.789 -8.490 -4.141 1.00 0.00 N ATOM 638 CA SER A 44 4.225 -7.819 -5.302 1.00 0.00 C ATOM 639 C SER A 44 3.252 -6.714 -4.893 1.00 0.00 C ATOM 640 O SER A 44 2.917 -5.840 -5.696 1.00 0.00 O ATOM 641 CB SER A 44 3.493 -8.840 -6.179 1.00 0.00 C ATOM 642 OG SER A 44 4.309 -9.975 -6.446 1.00 0.00 O ATOM 0 H SER A 44 4.227 -9.263 -3.786 1.00 0.00 H new ATOM 0 HA SER A 44 5.044 -7.363 -5.858 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.576 -9.158 -5.682 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.200 -8.371 -7.119 1.00 0.00 H new ATOM 0 HG SER A 44 3.814 -10.609 -7.006 1.00 0.00 H new ATOM 648 N CYS A 45 2.810 -6.743 -3.646 1.00 0.00 N ATOM 649 CA CYS A 45 1.698 -5.901 -3.237 1.00 0.00 C ATOM 650 C CYS A 45 2.038 -4.977 -2.067 1.00 0.00 C ATOM 651 O CYS A 45 1.175 -4.669 -1.245 1.00 0.00 O ATOM 652 CB CYS A 45 0.520 -6.798 -2.870 1.00 0.00 C ATOM 653 SG CYS A 45 0.794 -8.539 -3.275 1.00 0.00 S ATOM 0 H CYS A 45 3.198 -7.332 -2.909 1.00 0.00 H new ATOM 0 HA CYS A 45 1.449 -5.250 -4.075 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.322 -6.707 -1.802 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.371 -6.447 -3.390 1.00 0.00 H new ATOM 0 HG CYS A 45 -0.249 -9.234 -2.931 1.00 0.00 H new ATOM 658 N ALA A 46 3.286 -4.550 -1.951 1.00 0.00 N ATOM 659 CA ALA A 46 3.608 -3.523 -0.971 1.00 0.00 C ATOM 660 C ALA A 46 3.399 -2.135 -1.575 1.00 0.00 C ATOM 661 O ALA A 46 4.133 -1.727 -2.477 1.00 0.00 O ATOM 662 CB ALA A 46 5.023 -3.694 -0.427 1.00 0.00 C ATOM 0 H ALA A 46 4.073 -4.887 -2.506 1.00 0.00 H new ATOM 0 HA ALA A 46 2.930 -3.631 -0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.230 -2.910 0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.113 -4.669 0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.739 -3.625 -1.246 1.00 0.00 H new ATOM 668 N GLY A 47 2.409 -1.411 -1.065 1.00 0.00 N ATOM 669 CA GLY A 47 2.086 -0.098 -1.595 1.00 0.00 C ATOM 670 C GLY A 47 3.005 0.968 -1.054 1.00 0.00 C ATOM 671 O GLY A 47 3.876 0.682 -0.241 1.00 0.00 O ATOM 0 H GLY A 47 1.820 -1.712 -0.288 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.154 -0.119 -2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.055 0.151 -1.345 1.00 0.00 H new ATOM 675 N LYS A 48 2.887 2.193 -1.541 1.00 0.00 N ATOM 676 CA LYS A 48 3.711 3.268 -1.022 1.00 0.00 C ATOM 677 C LYS A 48 2.857 4.388 -0.463 1.00 0.00 C ATOM 678 O LYS A 48 1.963 4.887 -1.133 1.00 0.00 O ATOM 679 CB LYS A 48 4.620 3.819 -2.112 1.00 0.00 C ATOM 680 CG LYS A 48 4.965 2.820 -3.186 1.00 0.00 C ATOM 681 CD LYS A 48 5.489 1.509 -2.635 1.00 0.00 C ATOM 682 CE LYS A 48 6.701 1.699 -1.772 1.00 0.00 C ATOM 683 NZ LYS A 48 7.368 0.407 -1.492 1.00 0.00 N ATOM 0 H LYS A 48 2.240 2.463 -2.282 1.00 0.00 H new ATOM 0 HA LYS A 48 4.321 2.857 -0.218 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.136 4.680 -2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.542 4.178 -1.655 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.079 2.625 -3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.714 3.253 -3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.705 1.022 -2.055 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.735 0.842 -3.461 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.401 2.373 -2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.412 2.173 -0.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.329 0.583 -1.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.823 -0.117 -0.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.421 -0.153 -2.367 1.00 0.00 H new ATOM 697 N VAL A 49 3.138 4.790 0.757 1.00 0.00 N ATOM 698 CA VAL A 49 2.426 5.902 1.352 1.00 0.00 C ATOM 699 C VAL A 49 2.827 7.207 0.657 1.00 0.00 C ATOM 700 O VAL A 49 3.950 7.693 0.787 1.00 0.00 O ATOM 701 CB VAL A 49 2.646 5.980 2.898 1.00 0.00 C ATOM 702 CG1 VAL A 49 2.740 7.418 3.386 1.00 0.00 C ATOM 703 CG2 VAL A 49 1.501 5.298 3.619 1.00 0.00 C ATOM 0 H VAL A 49 3.849 4.368 1.354 1.00 0.00 H new ATOM 0 HA VAL A 49 1.358 5.742 1.204 1.00 0.00 H new ATOM 0 HB VAL A 49 3.588 5.477 3.115 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.893 7.427 4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.578 7.914 2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.816 7.945 3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.662 5.357 4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.564 5.794 3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.452 4.252 3.316 1.00 0.00 H new ATOM 713 N ALA A 50 1.921 7.723 -0.153 1.00 0.00 N ATOM 714 CA ALA A 50 2.096 9.018 -0.770 1.00 0.00 C ATOM 715 C ALA A 50 1.562 10.089 0.161 1.00 0.00 C ATOM 716 O ALA A 50 2.037 11.225 0.188 1.00 0.00 O ATOM 717 CB ALA A 50 1.345 9.033 -2.077 1.00 0.00 C ATOM 0 H ALA A 50 1.048 7.256 -0.399 1.00 0.00 H new ATOM 0 HA ALA A 50 3.152 9.213 -0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.467 10.005 -2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.737 8.254 -2.731 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.287 8.851 -1.891 1.00 0.00 H new ATOM 723 N ALA A 51 0.561 9.693 0.924 1.00 0.00 N ATOM 724 CA ALA A 51 -0.086 10.554 1.885 1.00 0.00 C ATOM 725 C ALA A 51 -0.623 9.711 3.020 1.00 0.00 C ATOM 726 O ALA A 51 -0.781 8.501 2.858 1.00 0.00 O ATOM 727 CB ALA A 51 -1.229 11.294 1.226 1.00 0.00 C ATOM 0 H ALA A 51 0.172 8.751 0.890 1.00 0.00 H new ATOM 0 HA ALA A 51 0.635 11.277 2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.713 11.942 1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.845 11.898 0.404 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.954 10.576 0.842 1.00 0.00 H new ATOM 733 N GLY A 52 -0.910 10.342 4.147 1.00 0.00 N ATOM 734 CA GLY A 52 -1.547 9.650 5.248 1.00 0.00 C ATOM 735 C GLY A 52 -0.716 8.508 5.798 1.00 0.00 C ATOM 736 O GLY A 52 0.483 8.420 5.535 1.00 0.00 O ATOM 0 H GLY A 52 -0.712 11.327 4.320 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.748 10.362 6.048 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.510 9.263 4.916 1.00 0.00 H new ATOM 740 N THR A 53 -1.347 7.633 6.568 1.00 0.00 N ATOM 741 CA THR A 53 -0.656 6.488 7.138 1.00 0.00 C ATOM 742 C THR A 53 -1.530 5.246 7.109 1.00 0.00 C ATOM 743 O THR A 53 -2.740 5.326 6.877 1.00 0.00 O ATOM 744 CB THR A 53 -0.216 6.756 8.585 1.00 0.00 C ATOM 745 OG1 THR A 53 -1.342 7.174 9.369 1.00 0.00 O ATOM 746 CG2 THR A 53 0.858 7.829 8.631 1.00 0.00 C ATOM 0 H THR A 53 -2.336 7.695 6.812 1.00 0.00 H new ATOM 0 HA THR A 53 0.229 6.321 6.523 1.00 0.00 H new ATOM 0 HB THR A 53 0.193 5.832 8.995 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.803 6.386 9.725 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.155 8.003 9.665 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.724 7.502 8.055 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.467 8.753 8.206 1.00 0.00 H new ATOM 754 N VAL A 54 -0.912 4.101 7.357 1.00 0.00 N ATOM 755 CA VAL A 54 -1.592 2.818 7.299 1.00 0.00 C ATOM 756 C VAL A 54 -1.105 1.911 8.428 1.00 0.00 C ATOM 757 O VAL A 54 -0.089 2.197 9.065 1.00 0.00 O ATOM 758 CB VAL A 54 -1.319 2.107 5.965 1.00 0.00 C ATOM 759 CG1 VAL A 54 -1.755 2.955 4.777 1.00 0.00 C ATOM 760 CG2 VAL A 54 0.154 1.751 5.868 1.00 0.00 C ATOM 0 H VAL A 54 0.075 4.036 7.604 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.660 3.010 7.398 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.909 1.191 5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.546 2.419 3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.824 3.156 4.846 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.207 3.897 4.782 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.345 1.247 4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.752 2.660 5.922 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.424 1.090 6.692 1.00 0.00 H new ATOM 770 N ASP A 55 -1.820 0.821 8.668 1.00 0.00 N ATOM 771 CA ASP A 55 -1.402 -0.160 9.657 1.00 0.00 C ATOM 772 C ASP A 55 -0.758 -1.363 8.983 1.00 0.00 C ATOM 773 O ASP A 55 -1.441 -2.300 8.578 1.00 0.00 O ATOM 774 CB ASP A 55 -2.589 -0.624 10.500 1.00 0.00 C ATOM 775 CG ASP A 55 -2.169 -1.616 11.563 1.00 0.00 C ATOM 776 OD1 ASP A 55 -1.483 -1.208 12.522 1.00 0.00 O ATOM 777 OD2 ASP A 55 -2.510 -2.809 11.438 1.00 0.00 O ATOM 0 H ASP A 55 -2.693 0.594 8.191 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.671 0.319 10.308 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.058 0.239 10.973 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.338 -1.080 9.853 1.00 0.00 H new ATOM 782 N GLN A 56 0.559 -1.327 8.893 1.00 0.00 N ATOM 783 CA GLN A 56 1.343 -2.403 8.298 1.00 0.00 C ATOM 784 C GLN A 56 2.335 -2.909 9.337 1.00 0.00 C ATOM 785 O GLN A 56 3.547 -2.885 9.128 1.00 0.00 O ATOM 786 CB GLN A 56 2.078 -1.901 7.053 1.00 0.00 C ATOM 787 CG GLN A 56 2.816 -0.603 7.295 1.00 0.00 C ATOM 788 CD GLN A 56 3.894 -0.340 6.285 1.00 0.00 C ATOM 789 OE1 GLN A 56 4.407 -1.255 5.645 1.00 0.00 O ATOM 790 NE2 GLN A 56 4.269 0.917 6.177 1.00 0.00 N ATOM 0 H GLN A 56 1.122 -0.547 9.232 1.00 0.00 H new ATOM 0 HA GLN A 56 0.685 -3.216 7.991 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.786 -2.661 6.723 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.361 -1.761 6.244 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.103 0.221 7.279 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.258 -0.624 8.291 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.807 1.637 6.733 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.021 1.172 5.537 1.00 0.00 H new ATOM 799 N SER A 57 1.783 -3.351 10.463 1.00 0.00 N ATOM 800 CA SER A 57 2.558 -3.734 11.640 1.00 0.00 C ATOM 801 C SER A 57 3.766 -4.614 11.306 1.00 0.00 C ATOM 802 O SER A 57 4.886 -4.310 11.717 1.00 0.00 O ATOM 803 CB SER A 57 1.644 -4.439 12.645 1.00 0.00 C ATOM 804 OG SER A 57 0.878 -5.461 12.023 1.00 0.00 O ATOM 0 H SER A 57 0.776 -3.455 10.586 1.00 0.00 H new ATOM 0 HA SER A 57 2.959 -2.819 12.075 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.245 -4.870 13.446 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.976 -3.710 13.104 1.00 0.00 H new ATOM 0 HG SER A 57 0.306 -5.893 12.691 1.00 0.00 H new ATOM 810 N ASP A 58 3.554 -5.689 10.562 1.00 0.00 N ATOM 811 CA ASP A 58 4.649 -6.593 10.234 1.00 0.00 C ATOM 812 C ASP A 58 4.496 -7.174 8.836 1.00 0.00 C ATOM 813 O ASP A 58 3.675 -8.063 8.610 1.00 0.00 O ATOM 814 CB ASP A 58 4.735 -7.722 11.264 1.00 0.00 C ATOM 815 CG ASP A 58 5.871 -8.684 10.979 1.00 0.00 C ATOM 816 OD1 ASP A 58 7.045 -8.289 11.151 1.00 0.00 O ATOM 817 OD2 ASP A 58 5.594 -9.845 10.607 1.00 0.00 O ATOM 0 H ASP A 58 2.647 -5.956 10.178 1.00 0.00 H new ATOM 0 HA ASP A 58 5.572 -6.014 10.258 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.867 -7.293 12.257 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.793 -8.271 11.276 1.00 0.00 H new ATOM 822 N GLN A 59 5.264 -6.645 7.894 1.00 0.00 N ATOM 823 CA GLN A 59 5.319 -7.212 6.555 1.00 0.00 C ATOM 824 C GLN A 59 6.658 -7.923 6.343 1.00 0.00 C ATOM 825 O GLN A 59 7.335 -8.273 7.307 1.00 0.00 O ATOM 826 CB GLN A 59 5.109 -6.129 5.494 1.00 0.00 C ATOM 827 CG GLN A 59 6.211 -5.091 5.440 1.00 0.00 C ATOM 828 CD GLN A 59 6.644 -4.786 4.017 1.00 0.00 C ATOM 829 OE1 GLN A 59 7.516 -5.458 3.472 1.00 0.00 O ATOM 830 NE2 GLN A 59 6.054 -3.772 3.406 1.00 0.00 N ATOM 0 H GLN A 59 5.856 -5.826 8.032 1.00 0.00 H new ATOM 0 HA GLN A 59 4.514 -7.940 6.453 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.025 -6.605 4.517 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.161 -5.627 5.686 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.867 -4.174 5.918 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.069 -5.445 6.011 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.333 -3.235 3.889 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.320 -3.527 2.452 1.00 0.00 H new ATOM 839 N SER A 60 7.041 -8.127 5.088 1.00 0.00 N ATOM 840 CA SER A 60 8.241 -8.886 4.767 1.00 0.00 C ATOM 841 C SER A 60 9.522 -8.070 4.977 1.00 0.00 C ATOM 842 O SER A 60 10.350 -8.422 5.817 1.00 0.00 O ATOM 843 CB SER A 60 8.149 -9.383 3.328 1.00 0.00 C ATOM 844 OG SER A 60 6.947 -10.108 3.134 1.00 0.00 O ATOM 0 H SER A 60 6.535 -7.776 4.275 1.00 0.00 H new ATOM 0 HA SER A 60 8.298 -9.734 5.450 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.187 -8.538 2.641 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.005 -10.018 3.100 1.00 0.00 H new ATOM 0 HG SER A 60 6.899 -10.420 2.206 1.00 0.00 H new ATOM 850 N PHE A 61 9.689 -6.983 4.231 1.00 0.00 N ATOM 851 CA PHE A 61 10.938 -6.228 4.282 1.00 0.00 C ATOM 852 C PHE A 61 10.695 -4.719 4.356 1.00 0.00 C ATOM 853 O PHE A 61 11.122 -3.956 3.488 1.00 0.00 O ATOM 854 CB PHE A 61 11.850 -6.590 3.093 1.00 0.00 C ATOM 855 CG PHE A 61 11.216 -6.450 1.730 1.00 0.00 C ATOM 856 CD1 PHE A 61 10.298 -7.383 1.278 1.00 0.00 C ATOM 857 CD2 PHE A 61 11.552 -5.393 0.899 1.00 0.00 C ATOM 858 CE1 PHE A 61 9.724 -7.263 0.029 1.00 0.00 C ATOM 859 CE2 PHE A 61 10.980 -5.268 -0.352 1.00 0.00 C ATOM 860 CZ PHE A 61 10.066 -6.203 -0.788 1.00 0.00 C ATOM 0 H PHE A 61 8.987 -6.608 3.592 1.00 0.00 H new ATOM 0 HA PHE A 61 11.450 -6.512 5.201 1.00 0.00 H new ATOM 0 HB2 PHE A 61 12.737 -5.957 3.130 1.00 0.00 H new ATOM 0 HB3 PHE A 61 12.188 -7.619 3.215 1.00 0.00 H new ATOM 0 HD1 PHE A 61 10.028 -8.215 1.911 1.00 0.00 H new ATOM 0 HD2 PHE A 61 12.270 -4.658 1.234 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.008 -7.997 -0.310 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.249 -4.438 -0.988 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.618 -6.107 -1.766 1.00 0.00 H new ATOM 870 N LEU A 62 9.997 -4.292 5.398 1.00 0.00 N ATOM 871 CA LEU A 62 9.817 -2.874 5.668 1.00 0.00 C ATOM 872 C LEU A 62 10.076 -2.555 7.137 1.00 0.00 C ATOM 873 O LEU A 62 9.954 -3.421 8.006 1.00 0.00 O ATOM 874 CB LEU A 62 8.403 -2.435 5.280 1.00 0.00 C ATOM 875 CG LEU A 62 7.989 -1.040 5.751 1.00 0.00 C ATOM 876 CD1 LEU A 62 7.168 -0.350 4.688 1.00 0.00 C ATOM 877 CD2 LEU A 62 7.200 -1.098 7.052 1.00 0.00 C ATOM 0 H LEU A 62 9.545 -4.910 6.072 1.00 0.00 H new ATOM 0 HA LEU A 62 10.541 -2.324 5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.316 -2.472 4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.694 -3.159 5.682 1.00 0.00 H new ATOM 0 HG LEU A 62 8.901 -0.471 5.933 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.880 0.642 5.037 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.758 -0.257 3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.272 -0.936 4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.923 -0.088 7.355 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.298 -1.692 6.904 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.813 -1.555 7.829 1.00 0.00 H new ATOM 889 N ASP A 63 10.437 -1.305 7.399 1.00 0.00 N ATOM 890 CA ASP A 63 10.554 -0.800 8.759 1.00 0.00 C ATOM 891 C ASP A 63 9.828 0.534 8.869 1.00 0.00 C ATOM 892 O ASP A 63 9.381 1.074 7.855 1.00 0.00 O ATOM 893 CB ASP A 63 12.012 -0.630 9.168 1.00 0.00 C ATOM 894 CG ASP A 63 12.748 -1.947 9.315 1.00 0.00 C ATOM 895 OD1 ASP A 63 12.598 -2.601 10.370 1.00 0.00 O ATOM 896 OD2 ASP A 63 13.491 -2.324 8.387 1.00 0.00 O ATOM 0 H ASP A 63 10.656 -0.617 6.678 1.00 0.00 H new ATOM 0 HA ASP A 63 10.100 -1.527 9.433 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.522 -0.017 8.425 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.057 -0.089 10.113 1.00 0.00 H new ATOM 901 N ASP A 64 9.716 1.069 10.077 1.00 0.00 N ATOM 902 CA ASP A 64 9.082 2.373 10.291 1.00 0.00 C ATOM 903 C ASP A 64 9.722 3.438 9.403 1.00 0.00 C ATOM 904 O ASP A 64 9.051 4.354 8.920 1.00 0.00 O ATOM 905 CB ASP A 64 9.202 2.788 11.759 1.00 0.00 C ATOM 906 CG ASP A 64 8.547 4.126 12.038 1.00 0.00 C ATOM 907 OD1 ASP A 64 7.306 4.163 12.194 1.00 0.00 O ATOM 908 OD2 ASP A 64 9.268 5.144 12.108 1.00 0.00 O ATOM 0 H ASP A 64 10.055 0.623 10.929 1.00 0.00 H new ATOM 0 HA ASP A 64 8.028 2.284 10.028 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.744 2.025 12.388 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.255 2.838 12.034 1.00 0.00 H new ATOM 913 N ALA A 65 11.015 3.269 9.158 1.00 0.00 N ATOM 914 CA ALA A 65 11.785 4.182 8.324 1.00 0.00 C ATOM 915 C ALA A 65 11.169 4.301 6.941 1.00 0.00 C ATOM 916 O ALA A 65 11.142 5.377 6.346 1.00 0.00 O ATOM 917 CB ALA A 65 13.215 3.685 8.206 1.00 0.00 C ATOM 0 H ALA A 65 11.560 2.493 9.533 1.00 0.00 H new ATOM 0 HA ALA A 65 11.777 5.167 8.792 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.788 4.370 7.581 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.666 3.634 9.197 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.219 2.693 7.754 1.00 0.00 H new ATOM 923 N GLN A 66 10.664 3.185 6.445 1.00 0.00 N ATOM 924 CA GLN A 66 10.056 3.135 5.137 1.00 0.00 C ATOM 925 C GLN A 66 8.760 3.930 5.106 1.00 0.00 C ATOM 926 O GLN A 66 8.502 4.637 4.145 1.00 0.00 O ATOM 927 CB GLN A 66 9.817 1.686 4.759 1.00 0.00 C ATOM 928 CG GLN A 66 11.080 0.851 4.841 1.00 0.00 C ATOM 929 CD GLN A 66 12.108 1.280 3.819 1.00 0.00 C ATOM 930 OE1 GLN A 66 12.920 2.170 4.063 1.00 0.00 O ATOM 931 NE2 GLN A 66 12.080 0.634 2.674 1.00 0.00 N ATOM 0 H GLN A 66 10.666 2.293 6.940 1.00 0.00 H new ATOM 0 HA GLN A 66 10.728 3.590 4.410 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.061 1.261 5.419 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.419 1.639 3.745 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.506 0.934 5.841 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.831 -0.199 4.687 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.387 -0.098 2.518 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.752 0.865 1.942 1.00 0.00 H new ATOM 940 N MET A 67 7.935 3.816 6.146 1.00 0.00 N ATOM 941 CA MET A 67 6.756 4.671 6.256 1.00 0.00 C ATOM 942 C MET A 67 7.135 6.142 6.281 1.00 0.00 C ATOM 943 O MET A 67 6.475 6.963 5.647 1.00 0.00 O ATOM 944 CB MET A 67 5.935 4.334 7.489 1.00 0.00 C ATOM 945 CG MET A 67 4.606 3.723 7.125 1.00 0.00 C ATOM 946 SD MET A 67 3.568 3.348 8.551 1.00 0.00 S ATOM 947 CE MET A 67 4.640 2.259 9.492 1.00 0.00 C ATOM 0 H MET A 67 8.058 3.153 6.911 1.00 0.00 H new ATOM 0 HA MET A 67 6.149 4.482 5.371 1.00 0.00 H new ATOM 0 HB2 MET A 67 6.493 3.642 8.120 1.00 0.00 H new ATOM 0 HB3 MET A 67 5.771 5.238 8.075 1.00 0.00 H new ATOM 0 HG2 MET A 67 4.070 4.406 6.466 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.779 2.806 6.561 1.00 0.00 H new ATOM 0 HE1 MET A 67 4.046 1.699 10.215 1.00 0.00 H new ATOM 0 HE2 MET A 67 5.137 1.564 8.815 1.00 0.00 H new ATOM 0 HE3 MET A 67 5.388 2.851 10.019 1.00 0.00 H new ATOM 957 N GLY A 68 8.199 6.470 7.002 1.00 0.00 N ATOM 958 CA GLY A 68 8.682 7.840 7.024 1.00 0.00 C ATOM 959 C GLY A 68 9.219 8.266 5.670 1.00 0.00 C ATOM 960 O GLY A 68 9.374 9.454 5.395 1.00 0.00 O ATOM 0 H GLY A 68 8.736 5.815 7.571 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.873 8.507 7.321 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.467 7.938 7.774 1.00 0.00 H new ATOM 964 N ASN A 69 9.505 7.277 4.834 1.00 0.00 N ATOM 965 CA ASN A 69 9.962 7.498 3.472 1.00 0.00 C ATOM 966 C ASN A 69 8.793 7.459 2.494 1.00 0.00 C ATOM 967 O ASN A 69 8.909 7.885 1.344 1.00 0.00 O ATOM 968 CB ASN A 69 10.978 6.423 3.101 1.00 0.00 C ATOM 969 CG ASN A 69 12.384 6.766 3.549 1.00 0.00 C ATOM 970 OD1 ASN A 69 12.754 7.938 3.635 1.00 0.00 O ATOM 971 ND2 ASN A 69 13.183 5.747 3.833 1.00 0.00 N ATOM 0 H ASN A 69 9.425 6.292 5.086 1.00 0.00 H new ATOM 0 HA ASN A 69 10.425 8.483 3.414 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.679 5.476 3.550 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.970 6.279 2.021 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.142 5.920 4.135 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.839 4.790 3.749 1.00 0.00 H new ATOM 978 N GLY A 70 7.675 6.929 2.961 1.00 0.00 N ATOM 979 CA GLY A 70 6.479 6.852 2.148 1.00 0.00 C ATOM 980 C GLY A 70 6.315 5.503 1.480 1.00 0.00 C ATOM 981 O GLY A 70 5.803 5.411 0.369 1.00 0.00 O ATOM 0 H GLY A 70 7.573 6.546 3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.607 7.053 2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.512 7.630 1.385 1.00 0.00 H new ATOM 985 N PHE A 71 6.767 4.453 2.144 1.00 0.00 N ATOM 986 CA PHE A 71 6.616 3.104 1.625 1.00 0.00 C ATOM 987 C PHE A 71 5.883 2.234 2.647 1.00 0.00 C ATOM 988 O PHE A 71 6.100 2.375 3.849 1.00 0.00 O ATOM 989 CB PHE A 71 7.982 2.493 1.282 1.00 0.00 C ATOM 990 CG PHE A 71 8.908 3.381 0.490 1.00 0.00 C ATOM 991 CD1 PHE A 71 8.459 4.079 -0.619 1.00 0.00 C ATOM 992 CD2 PHE A 71 10.240 3.491 0.847 1.00 0.00 C ATOM 993 CE1 PHE A 71 9.317 4.869 -1.356 1.00 0.00 C ATOM 994 CE2 PHE A 71 11.106 4.281 0.119 1.00 0.00 C ATOM 995 CZ PHE A 71 10.643 4.972 -0.986 1.00 0.00 C ATOM 0 H PHE A 71 7.242 4.509 3.045 1.00 0.00 H new ATOM 0 HA PHE A 71 6.028 3.148 0.708 1.00 0.00 H new ATOM 0 HB2 PHE A 71 8.480 2.214 2.211 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.819 1.574 0.720 1.00 0.00 H new ATOM 0 HD1 PHE A 71 7.422 4.004 -0.911 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.607 2.951 1.707 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.952 5.405 -2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 71 12.143 4.360 0.411 1.00 0.00 H new ATOM 0 HZ PHE A 71 11.318 5.591 -1.558 1.00 0.00 H new ATOM 1005 N VAL A 72 5.013 1.343 2.161 1.00 0.00 N ATOM 1006 CA VAL A 72 4.096 0.582 3.021 1.00 0.00 C ATOM 1007 C VAL A 72 3.770 -0.797 2.424 1.00 0.00 C ATOM 1008 O VAL A 72 4.356 -1.211 1.427 1.00 0.00 O ATOM 1009 CB VAL A 72 2.785 1.366 3.269 1.00 0.00 C ATOM 1010 CG1 VAL A 72 3.066 2.651 4.014 1.00 0.00 C ATOM 1011 CG2 VAL A 72 2.079 1.655 1.954 1.00 0.00 C ATOM 0 H VAL A 72 4.923 1.129 1.168 1.00 0.00 H new ATOM 0 HA VAL A 72 4.605 0.433 3.973 1.00 0.00 H new ATOM 0 HB VAL A 72 2.129 0.750 3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.132 3.188 4.179 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.527 2.421 4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.742 3.272 3.426 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.159 2.207 2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.731 2.250 1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.840 0.716 1.455 1.00 0.00 H new ATOM 1021 N LEU A 73 2.897 -1.533 3.101 1.00 0.00 N ATOM 1022 CA LEU A 73 2.435 -2.844 2.644 1.00 0.00 C ATOM 1023 C LEU A 73 0.924 -2.778 2.386 1.00 0.00 C ATOM 1024 O LEU A 73 0.206 -2.162 3.153 1.00 0.00 O ATOM 1025 CB LEU A 73 2.774 -3.892 3.720 1.00 0.00 C ATOM 1026 CG LEU A 73 2.683 -5.373 3.316 1.00 0.00 C ATOM 1027 CD1 LEU A 73 1.254 -5.860 3.343 1.00 0.00 C ATOM 1028 CD2 LEU A 73 3.292 -5.611 1.945 1.00 0.00 C ATOM 0 H LEU A 73 2.486 -1.239 3.987 1.00 0.00 H new ATOM 0 HA LEU A 73 2.930 -3.129 1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.788 -3.700 4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.108 -3.732 4.568 1.00 0.00 H new ATOM 0 HG LEU A 73 3.255 -5.943 4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.222 -6.910 3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.851 -5.749 4.350 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.656 -5.273 2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.211 -6.668 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.760 -5.017 1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.342 -5.320 1.958 1.00 0.00 H new ATOM 1040 N THR A 74 0.452 -3.342 1.275 1.00 0.00 N ATOM 1041 CA THR A 74 -0.976 -3.282 0.946 1.00 0.00 C ATOM 1042 C THR A 74 -1.748 -4.538 1.394 1.00 0.00 C ATOM 1043 O THR A 74 -2.872 -4.436 1.884 1.00 0.00 O ATOM 1044 CB THR A 74 -1.184 -3.073 -0.567 1.00 0.00 C ATOM 1045 OG1 THR A 74 -0.355 -1.999 -1.017 1.00 0.00 O ATOM 1046 CG2 THR A 74 -2.634 -2.749 -0.884 1.00 0.00 C ATOM 0 H THR A 74 1.026 -3.840 0.594 1.00 0.00 H new ATOM 0 HA THR A 74 -1.375 -2.431 1.497 1.00 0.00 H new ATOM 0 HB THR A 74 -0.917 -3.998 -1.078 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.485 -1.866 -1.979 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.749 -2.607 -1.959 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.270 -3.571 -0.557 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.925 -1.836 -0.364 1.00 0.00 H new ATOM 1054 N CYS A 75 -1.137 -5.710 1.218 1.00 0.00 N ATOM 1055 CA CYS A 75 -1.818 -6.997 1.428 1.00 0.00 C ATOM 1056 C CYS A 75 -2.400 -7.138 2.839 1.00 0.00 C ATOM 1057 O CYS A 75 -3.561 -7.505 3.005 1.00 0.00 O ATOM 1058 CB CYS A 75 -0.842 -8.145 1.164 1.00 0.00 C ATOM 1059 SG CYS A 75 -1.512 -9.487 0.155 1.00 0.00 S ATOM 0 H CYS A 75 -0.163 -5.799 0.928 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.652 -7.034 0.728 1.00 0.00 H new ATOM 0 HB2 CYS A 75 0.044 -7.745 0.671 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -0.517 -8.555 2.120 1.00 0.00 H new ATOM 0 HG CYS A 75 -0.749 -10.534 0.264 1.00 0.00 H new ATOM 1064 N VAL A 76 -1.593 -6.858 3.850 1.00 0.00 N ATOM 1065 CA VAL A 76 -2.026 -6.983 5.235 1.00 0.00 C ATOM 1066 C VAL A 76 -1.853 -5.649 5.946 1.00 0.00 C ATOM 1067 O VAL A 76 -1.186 -5.553 6.976 1.00 0.00 O ATOM 1068 CB VAL A 76 -1.236 -8.075 5.996 1.00 0.00 C ATOM 1069 CG1 VAL A 76 -1.928 -8.441 7.304 1.00 0.00 C ATOM 1070 CG2 VAL A 76 -1.048 -9.309 5.133 1.00 0.00 C ATOM 0 H VAL A 76 -0.630 -6.541 3.738 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.076 -7.276 5.226 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.253 -7.668 6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.351 -9.210 7.818 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.999 -7.557 7.938 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.929 -8.818 7.093 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.490 -10.061 5.691 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.022 -9.711 4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.496 -9.042 4.232 1.00 0.00 H new ATOM 1080 N ALA A 77 -2.430 -4.611 5.369 1.00 0.00 N ATOM 1081 CA ALA A 77 -2.347 -3.290 5.947 1.00 0.00 C ATOM 1082 C ALA A 77 -3.476 -2.419 5.451 1.00 0.00 C ATOM 1083 O ALA A 77 -3.892 -2.525 4.299 1.00 0.00 O ATOM 1084 CB ALA A 77 -1.018 -2.646 5.624 1.00 0.00 C ATOM 0 H ALA A 77 -2.961 -4.661 4.500 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.432 -3.391 7.029 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.978 -1.652 6.069 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.210 -3.257 6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.907 -2.564 4.543 1.00 0.00 H new ATOM 1090 N TYR A 78 -3.971 -1.570 6.324 1.00 0.00 N ATOM 1091 CA TYR A 78 -5.015 -0.637 5.965 1.00 0.00 C ATOM 1092 C TYR A 78 -4.780 0.710 6.611 1.00 0.00 C ATOM 1093 O TYR A 78 -4.129 0.795 7.640 1.00 0.00 O ATOM 1094 CB TYR A 78 -6.380 -1.171 6.355 1.00 0.00 C ATOM 1095 CG TYR A 78 -6.422 -1.890 7.685 1.00 0.00 C ATOM 1096 CD1 TYR A 78 -6.439 -1.185 8.875 1.00 0.00 C ATOM 1097 CD2 TYR A 78 -6.453 -3.279 7.742 1.00 0.00 C ATOM 1098 CE1 TYR A 78 -6.487 -1.840 10.089 1.00 0.00 C ATOM 1099 CE2 TYR A 78 -6.505 -3.940 8.952 1.00 0.00 C ATOM 1100 CZ TYR A 78 -6.524 -3.217 10.123 1.00 0.00 C ATOM 1101 OH TYR A 78 -6.576 -3.873 11.333 1.00 0.00 O ATOM 0 H TYR A 78 -3.664 -1.507 7.295 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.989 -0.513 4.882 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.085 -0.340 6.384 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.724 -1.853 5.578 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -6.414 -0.105 8.854 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.436 -3.849 6.825 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.496 -1.275 11.009 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.531 -5.019 8.980 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.598 -4.841 11.180 1.00 0.00 H new ATOM 1111 N PRO A 79 -5.331 1.773 6.019 1.00 0.00 N ATOM 1112 CA PRO A 79 -5.084 3.142 6.450 1.00 0.00 C ATOM 1113 C PRO A 79 -5.478 3.379 7.891 1.00 0.00 C ATOM 1114 O PRO A 79 -6.545 2.968 8.331 1.00 0.00 O ATOM 1115 CB PRO A 79 -5.959 3.982 5.520 1.00 0.00 C ATOM 1116 CG PRO A 79 -6.970 3.038 4.990 1.00 0.00 C ATOM 1117 CD PRO A 79 -6.268 1.723 4.898 1.00 0.00 C ATOM 0 HA PRO A 79 -4.024 3.389 6.399 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -6.430 4.805 6.058 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.370 4.423 4.715 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -7.836 2.977 5.650 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -7.335 3.359 4.014 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.962 0.887 4.989 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -5.752 1.607 3.945 1.00 0.00 H new ATOM 1125 N THR A 80 -4.594 4.014 8.624 1.00 0.00 N ATOM 1126 CA THR A 80 -4.915 4.475 9.962 1.00 0.00 C ATOM 1127 C THR A 80 -5.354 5.929 9.904 1.00 0.00 C ATOM 1128 O THR A 80 -5.696 6.537 10.918 1.00 0.00 O ATOM 1129 CB THR A 80 -3.716 4.325 10.917 1.00 0.00 C ATOM 1130 OG1 THR A 80 -2.531 4.854 10.304 1.00 0.00 O ATOM 1131 CG2 THR A 80 -3.494 2.866 11.283 1.00 0.00 C ATOM 0 H THR A 80 -3.644 4.225 8.319 1.00 0.00 H new ATOM 0 HA THR A 80 -5.725 3.858 10.350 1.00 0.00 H new ATOM 0 HB THR A 80 -3.934 4.882 11.828 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.774 4.756 10.918 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.642 2.786 11.958 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.385 2.475 11.775 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.296 2.290 10.379 1.00 0.00 H new ATOM 1139 N SER A 81 -5.323 6.478 8.699 1.00 0.00 N ATOM 1140 CA SER A 81 -5.850 7.809 8.435 1.00 0.00 C ATOM 1141 C SER A 81 -6.261 7.910 6.976 1.00 0.00 C ATOM 1142 O SER A 81 -6.009 6.996 6.188 1.00 0.00 O ATOM 1143 CB SER A 81 -4.805 8.883 8.723 1.00 0.00 C ATOM 1144 OG SER A 81 -4.113 8.633 9.936 1.00 0.00 O ATOM 0 H SER A 81 -4.933 6.015 7.878 1.00 0.00 H new ATOM 0 HA SER A 81 -6.708 7.968 9.088 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.092 8.926 7.900 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.290 9.858 8.776 1.00 0.00 H new ATOM 0 HG SER A 81 -3.272 8.169 9.743 1.00 0.00 H new ATOM 1150 N ASP A 82 -6.882 9.021 6.621 1.00 0.00 N ATOM 1151 CA ASP A 82 -7.196 9.304 5.226 1.00 0.00 C ATOM 1152 C ASP A 82 -5.893 9.570 4.496 1.00 0.00 C ATOM 1153 O ASP A 82 -5.086 10.390 4.941 1.00 0.00 O ATOM 1154 CB ASP A 82 -8.144 10.504 5.116 1.00 0.00 C ATOM 1155 CG ASP A 82 -8.173 11.149 3.738 1.00 0.00 C ATOM 1156 OD1 ASP A 82 -7.250 11.925 3.416 1.00 0.00 O ATOM 1157 OD2 ASP A 82 -9.135 10.905 2.978 1.00 0.00 O ATOM 0 H ASP A 82 -7.180 9.743 7.277 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.705 8.452 4.775 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.152 10.182 5.376 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.850 11.254 5.850 1.00 0.00 H new ATOM 1162 N CYS A 83 -5.673 8.873 3.403 1.00 0.00 N ATOM 1163 CA CYS A 83 -4.351 8.858 2.796 1.00 0.00 C ATOM 1164 C CYS A 83 -4.397 8.710 1.279 1.00 0.00 C ATOM 1165 O CYS A 83 -5.461 8.695 0.661 1.00 0.00 O ATOM 1166 CB CYS A 83 -3.554 7.712 3.418 1.00 0.00 C ATOM 1167 SG CYS A 83 -4.314 6.089 3.236 1.00 0.00 S ATOM 0 H CYS A 83 -6.377 8.316 2.919 1.00 0.00 H new ATOM 0 HA CYS A 83 -3.872 9.818 2.992 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -2.563 7.688 2.965 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.415 7.917 4.479 1.00 0.00 H new ATOM 0 HG CYS A 83 -3.558 5.191 3.795 1.00 0.00 H new ATOM 1173 N THR A 84 -3.214 8.628 0.701 1.00 0.00 N ATOM 1174 CA THR A 84 -3.027 8.397 -0.717 1.00 0.00 C ATOM 1175 C THR A 84 -1.896 7.404 -0.887 1.00 0.00 C ATOM 1176 O THR A 84 -0.778 7.678 -0.465 1.00 0.00 O ATOM 1177 CB THR A 84 -2.659 9.690 -1.460 1.00 0.00 C ATOM 1178 OG1 THR A 84 -3.774 10.590 -1.497 1.00 0.00 O ATOM 1179 CG2 THR A 84 -2.192 9.376 -2.871 1.00 0.00 C ATOM 0 H THR A 84 -2.338 8.722 1.216 1.00 0.00 H new ATOM 0 HA THR A 84 -3.961 8.020 -1.134 1.00 0.00 H new ATOM 0 HB THR A 84 -1.844 10.173 -0.920 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.519 11.408 -1.973 1.00 0.00 H new ATOM 0 HG21 THR A 84 -1.935 10.303 -3.384 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.315 8.730 -2.829 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.990 8.870 -3.414 1.00 0.00 H new ATOM 1187 N ILE A 85 -2.161 6.259 -1.490 1.00 0.00 N ATOM 1188 CA ILE A 85 -1.199 5.179 -1.464 1.00 0.00 C ATOM 1189 C ILE A 85 -0.859 4.674 -2.858 1.00 0.00 C ATOM 1190 O ILE A 85 -1.711 4.222 -3.608 1.00 0.00 O ATOM 1191 CB ILE A 85 -1.689 4.006 -0.593 1.00 0.00 C ATOM 1192 CG1 ILE A 85 -1.959 4.464 0.855 1.00 0.00 C ATOM 1193 CG2 ILE A 85 -0.670 2.875 -0.617 1.00 0.00 C ATOM 1194 CD1 ILE A 85 -0.976 5.468 1.405 1.00 0.00 C ATOM 0 H ILE A 85 -3.023 6.057 -1.997 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.292 5.593 -1.023 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.629 3.641 -1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.959 4.895 0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.959 3.587 1.502 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.026 2.051 0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.536 2.528 -1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.283 3.235 -0.228 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.253 5.726 2.427 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.026 5.038 1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.990 6.366 0.788 1.00 0.00 H new ATOM 1206 N GLN A 86 0.411 4.749 -3.167 1.00 0.00 N ATOM 1207 CA GLN A 86 0.974 4.264 -4.407 1.00 0.00 C ATOM 1208 C GLN A 86 0.900 2.743 -4.441 1.00 0.00 C ATOM 1209 O GLN A 86 1.080 2.090 -3.426 1.00 0.00 O ATOM 1210 CB GLN A 86 2.418 4.726 -4.423 1.00 0.00 C ATOM 1211 CG GLN A 86 2.739 5.850 -5.385 1.00 0.00 C ATOM 1212 CD GLN A 86 3.908 6.677 -4.885 1.00 0.00 C ATOM 1213 OE1 GLN A 86 3.720 7.665 -4.173 1.00 0.00 O ATOM 1214 NE2 GLN A 86 5.119 6.274 -5.237 1.00 0.00 N ATOM 0 H GLN A 86 1.105 5.162 -2.544 1.00 0.00 H new ATOM 0 HA GLN A 86 0.433 4.641 -5.275 1.00 0.00 H new ATOM 0 HB2 GLN A 86 2.689 5.046 -3.417 1.00 0.00 H new ATOM 0 HB3 GLN A 86 3.050 3.872 -4.667 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.974 5.438 -6.366 1.00 0.00 H new ATOM 0 HG3 GLN A 86 1.864 6.488 -5.509 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.231 5.450 -5.828 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.940 6.787 -4.917 1.00 0.00 H new ATOM 1223 N THR A 87 0.626 2.183 -5.602 1.00 0.00 N ATOM 1224 CA THR A 87 0.382 0.751 -5.706 1.00 0.00 C ATOM 1225 C THR A 87 1.627 -0.066 -6.071 1.00 0.00 C ATOM 1226 O THR A 87 2.286 -0.641 -5.212 1.00 0.00 O ATOM 1227 CB THR A 87 -0.713 0.486 -6.750 1.00 0.00 C ATOM 1228 OG1 THR A 87 -0.393 1.164 -7.973 1.00 0.00 O ATOM 1229 CG2 THR A 87 -2.054 0.966 -6.248 1.00 0.00 C ATOM 0 H THR A 87 0.566 2.691 -6.485 1.00 0.00 H new ATOM 0 HA THR A 87 0.069 0.425 -4.714 1.00 0.00 H new ATOM 0 HB THR A 87 -0.767 -0.588 -6.928 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.191 0.505 -8.669 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.816 0.769 -7.002 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.308 0.439 -5.329 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.007 2.037 -6.051 1.00 0.00 H new ATOM 1237 N HIS A 88 1.943 -0.073 -7.355 1.00 0.00 N ATOM 1238 CA HIS A 88 2.888 -1.034 -7.950 1.00 0.00 C ATOM 1239 C HIS A 88 4.358 -0.721 -7.679 1.00 0.00 C ATOM 1240 O HIS A 88 5.236 -1.241 -8.363 1.00 0.00 O ATOM 1241 CB HIS A 88 2.668 -1.096 -9.458 1.00 0.00 C ATOM 1242 CG HIS A 88 1.395 -1.774 -9.861 1.00 0.00 C ATOM 1243 ND1 HIS A 88 0.174 -1.478 -9.293 1.00 0.00 N ATOM 1244 CD2 HIS A 88 1.157 -2.748 -10.770 1.00 0.00 C ATOM 1245 CE1 HIS A 88 -0.754 -2.241 -9.831 1.00 0.00 C ATOM 1246 NE2 HIS A 88 -0.188 -3.019 -10.734 1.00 0.00 N ATOM 0 H HIS A 88 1.554 0.588 -8.028 1.00 0.00 H new ATOM 0 HA HIS A 88 2.681 -1.992 -7.472 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.669 -0.082 -9.857 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.507 -1.620 -9.916 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.889 -3.224 -11.406 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.803 -2.232 -9.576 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.671 -3.708 -11.310 1.00 0.00 H new ATOM 1255 N GLN A 89 4.635 0.116 -6.703 1.00 0.00 N ATOM 1256 CA GLN A 89 6.008 0.541 -6.453 1.00 0.00 C ATOM 1257 C GLN A 89 6.628 -0.189 -5.258 1.00 0.00 C ATOM 1258 O GLN A 89 7.450 0.381 -4.535 1.00 0.00 O ATOM 1259 CB GLN A 89 6.068 2.052 -6.245 1.00 0.00 C ATOM 1260 CG GLN A 89 4.703 2.719 -6.249 1.00 0.00 C ATOM 1261 CD GLN A 89 4.215 3.073 -7.638 1.00 0.00 C ATOM 1262 OE1 GLN A 89 4.998 3.381 -8.533 1.00 0.00 O ATOM 1263 NE2 GLN A 89 2.914 3.014 -7.822 1.00 0.00 N ATOM 0 H GLN A 89 3.941 0.516 -6.072 1.00 0.00 H new ATOM 0 HA GLN A 89 6.595 0.279 -7.333 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.563 2.261 -5.297 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.682 2.495 -7.029 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.980 2.055 -5.775 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.747 3.625 -5.645 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.301 2.753 -7.050 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.518 3.229 -8.737 1.00 0.00 H new ATOM 1272 N GLU A 90 6.227 -1.444 -5.054 1.00 0.00 N ATOM 1273 CA GLU A 90 6.769 -2.287 -3.972 1.00 0.00 C ATOM 1274 C GLU A 90 8.273 -2.181 -3.867 1.00 0.00 C ATOM 1275 O GLU A 90 8.819 -2.007 -2.771 1.00 0.00 O ATOM 1276 CB GLU A 90 6.436 -3.770 -4.166 1.00 0.00 C ATOM 1277 CG GLU A 90 5.947 -4.169 -5.557 1.00 0.00 C ATOM 1278 CD GLU A 90 7.050 -4.175 -6.597 1.00 0.00 C ATOM 1279 OE1 GLU A 90 7.360 -3.104 -7.152 1.00 0.00 O ATOM 1280 OE2 GLU A 90 7.609 -5.256 -6.866 1.00 0.00 O ATOM 0 H GLU A 90 5.522 -1.909 -5.627 1.00 0.00 H new ATOM 0 HA GLU A 90 6.298 -1.912 -3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 90 7.326 -4.355 -3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.672 -4.049 -3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 90 5.498 -5.161 -5.507 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.163 -3.480 -5.871 1.00 0.00 H new ATOM 1287 N GLU A 91 8.912 -2.261 -5.018 1.00 0.00 N ATOM 1288 CA GLU A 91 10.352 -2.312 -5.134 1.00 0.00 C ATOM 1289 C GLU A 91 11.033 -1.190 -4.338 1.00 0.00 C ATOM 1290 O GLU A 91 12.190 -1.310 -3.947 1.00 0.00 O ATOM 1291 CB GLU A 91 10.759 -2.282 -6.608 1.00 0.00 C ATOM 1292 CG GLU A 91 12.255 -2.360 -6.830 1.00 0.00 C ATOM 1293 CD GLU A 91 12.619 -2.733 -8.251 1.00 0.00 C ATOM 1294 OE1 GLU A 91 12.192 -2.036 -9.193 1.00 0.00 O ATOM 1295 OE2 GLU A 91 13.344 -3.731 -8.435 1.00 0.00 O ATOM 0 H GLU A 91 8.431 -2.293 -5.917 1.00 0.00 H new ATOM 0 HA GLU A 91 10.694 -3.251 -4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.280 -3.114 -7.125 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.381 -1.366 -7.061 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.705 -1.398 -6.585 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.681 -3.094 -6.146 1.00 0.00 H new ATOM 1302 N ALA A 92 10.314 -0.087 -4.138 1.00 0.00 N ATOM 1303 CA ALA A 92 10.824 1.062 -3.394 1.00 0.00 C ATOM 1304 C ALA A 92 11.358 0.671 -2.014 1.00 0.00 C ATOM 1305 O ALA A 92 12.258 1.318 -1.488 1.00 0.00 O ATOM 1306 CB ALA A 92 9.731 2.090 -3.232 1.00 0.00 C ATOM 0 H ALA A 92 9.363 0.035 -4.487 1.00 0.00 H new ATOM 0 HA ALA A 92 11.654 1.476 -3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 92 10.115 2.945 -2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 92 9.392 2.418 -4.214 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.895 1.650 -2.688 1.00 0.00 H new ATOM 1312 N LEU A 93 10.785 -0.378 -1.419 1.00 0.00 N ATOM 1313 CA LEU A 93 11.251 -0.873 -0.139 1.00 0.00 C ATOM 1314 C LEU A 93 12.580 -1.572 -0.329 1.00 0.00 C ATOM 1315 O LEU A 93 13.454 -1.543 0.535 1.00 0.00 O ATOM 1316 CB LEU A 93 10.266 -1.888 0.423 1.00 0.00 C ATOM 1317 CG LEU A 93 8.858 -1.393 0.639 1.00 0.00 C ATOM 1318 CD1 LEU A 93 7.922 -2.565 0.857 1.00 0.00 C ATOM 1319 CD2 LEU A 93 8.826 -0.473 1.831 1.00 0.00 C ATOM 0 H LEU A 93 9.998 -0.895 -1.810 1.00 0.00 H new ATOM 0 HA LEU A 93 11.348 -0.030 0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.230 -2.742 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.653 -2.251 1.375 1.00 0.00 H new ATOM 0 HG LEU A 93 8.529 -0.846 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.908 -2.197 1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.942 -3.215 -0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.242 -3.128 1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.808 -0.115 1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.161 -1.013 2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.486 0.376 1.653 1.00 0.00 H new ATOM 1331 N TYR A 94 12.706 -2.194 -1.489 1.00 0.00 N ATOM 1332 CA TYR A 94 13.838 -3.054 -1.787 1.00 0.00 C ATOM 1333 C TYR A 94 15.112 -2.243 -2.011 1.00 0.00 C ATOM 1334 O TYR A 94 16.010 -2.251 -1.168 1.00 0.00 O ATOM 1335 CB TYR A 94 13.493 -3.925 -2.999 1.00 0.00 C ATOM 1336 CG TYR A 94 14.633 -4.746 -3.554 1.00 0.00 C ATOM 1337 CD1 TYR A 94 15.450 -5.507 -2.728 1.00 0.00 C ATOM 1338 CD2 TYR A 94 14.878 -4.764 -4.919 1.00 0.00 C ATOM 1339 CE1 TYR A 94 16.484 -6.259 -3.249 1.00 0.00 C ATOM 1340 CE2 TYR A 94 15.910 -5.514 -5.449 1.00 0.00 C ATOM 1341 CZ TYR A 94 16.711 -6.259 -4.610 1.00 0.00 C ATOM 1342 OH TYR A 94 17.741 -7.010 -5.135 1.00 0.00 O ATOM 0 H TYR A 94 12.029 -2.117 -2.248 1.00 0.00 H new ATOM 0 HA TYR A 94 14.036 -3.701 -0.932 1.00 0.00 H new ATOM 0 HB2 TYR A 94 12.684 -4.600 -2.721 1.00 0.00 H new ATOM 0 HB3 TYR A 94 13.113 -3.280 -3.791 1.00 0.00 H new ATOM 0 HD1 TYR A 94 15.274 -5.511 -1.662 1.00 0.00 H new ATOM 0 HD2 TYR A 94 14.251 -4.182 -5.579 1.00 0.00 H new ATOM 0 HE1 TYR A 94 17.112 -6.845 -2.594 1.00 0.00 H new ATOM 0 HE2 TYR A 94 16.088 -5.517 -6.514 1.00 0.00 H new ATOM 0 HH TYR A 94 17.763 -6.900 -6.109 1.00 0.00 H new