USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 542 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 10 THR OG1 : rot 180:sc= -1.37 USER MOD Set 1.2: A 13 GLN : amide:sc= -0.832 K(o=-2.2,f=-1.6) USER MOD Set 2.1: A 9 MET CE :methyl -150:sc= -0.133 (180deg=-1.04) USER MOD Set 2.2: A 17 THR OG1 : rot 64:sc= 0.677 USER MOD Single : A 1 MET CE :methyl 167:sc= -0.0513 (180deg=-0.366) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.0798 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.516 K(o=-0.52,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.292 USER MOD Single : A 7 LYS NZ :NH3+ -177:sc= 1.1 (180deg=1.09) USER MOD Single : A 16 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.095) USER MOD Single : A 18 HIS : no HE2:sc= 0.00695 K(o=0.0069,f=-3.6!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot -167:sc= 0.685 USER MOD Single : A 29 ASN : amide:sc= -0.316 K(o=-0.32,f=-1.1) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -145:sc= -0.0903 (180deg=-1.24) USER MOD Single : A 39 GLN : amide:sc= -1.42! K(o=-1.4!,f=-0.082) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 42 SER OG : rot -95:sc= 1.02 USER MOD Single : A 45 GLN : amide:sc= -0.538 K(o=-0.54,f=-2.2) USER MOD Single : A 48 ASN : amide:sc= 0.99 K(o=0.99,f=-0.037) USER MOD Single : A 50 HIS : no HD1:sc= 0.0242 K(o=0.024,f=-7.9!) USER MOD Single : A 53 ASN : amide:sc= -1.03 K(o=-1,f=-12!) USER MOD Single : A 62 ASN : amide:sc= 0.0826! C(o=0.083!,f=-5.1!) USER MOD Single : A 68 HIS : no HE2:sc= -0.482 K(o=-0.48,f=-4.9!) USER MOD Single : A 69 HIS : no HD1:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 71 HIS : no HE2:sc= -0.0564 X(o=-0.056,f=-0.077) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.654 10.449 1.605 1.00 22.22 N ATOM 2 CA MET A 1 -16.335 11.029 0.270 1.00 42.23 C ATOM 3 C MET A 1 -15.230 10.219 -0.426 1.00 60.51 C ATOM 4 O MET A 1 -14.511 9.463 0.223 1.00 54.21 O ATOM 5 CB MET A 1 -15.914 12.502 0.426 1.00 52.31 C ATOM 6 CG MET A 1 -15.667 13.225 -0.892 1.00 13.44 C ATOM 7 SD MET A 1 -17.071 13.105 -2.018 1.00 63.41 S ATOM 8 CE MET A 1 -18.361 13.892 -1.051 1.00 61.13 C ATOM 0 H1 MET A 1 -17.624 10.073 1.598 1.00 22.22 H new ATOM 0 H2 MET A 1 -15.987 9.680 1.818 1.00 22.22 H new ATOM 0 H3 MET A 1 -16.575 11.188 2.332 1.00 22.22 H new ATOM 0 HA MET A 1 -17.227 10.983 -0.354 1.00 42.23 H new ATOM 0 HB2 MET A 1 -16.689 13.033 0.979 1.00 52.31 H new ATOM 0 HB3 MET A 1 -15.006 12.547 1.027 1.00 52.31 H new ATOM 0 HG2 MET A 1 -15.454 14.275 -0.692 1.00 13.44 H new ATOM 0 HG3 MET A 1 -14.783 12.806 -1.373 1.00 13.44 H new ATOM 0 HE1 MET A 1 -19.219 14.101 -1.690 1.00 61.13 H new ATOM 0 HE2 MET A 1 -18.665 13.228 -0.242 1.00 61.13 H new ATOM 0 HE3 MET A 1 -17.984 14.825 -0.632 1.00 61.13 H new ATOM 20 N THR A 2 -15.111 10.379 -1.745 1.00 54.34 N ATOM 21 CA THR A 2 -14.114 9.644 -2.543 1.00 44.11 C ATOM 22 C THR A 2 -12.678 9.860 -2.037 1.00 74.24 C ATOM 23 O THR A 2 -12.170 10.982 -2.039 1.00 21.13 O ATOM 24 CB THR A 2 -14.163 10.062 -4.039 1.00 24.21 C ATOM 25 OG1 THR A 2 -15.502 9.947 -4.550 1.00 33.41 O ATOM 26 CG2 THR A 2 -13.220 9.204 -4.881 1.00 31.00 C ATOM 0 H THR A 2 -15.694 11.014 -2.291 1.00 54.34 H new ATOM 0 HA THR A 2 -14.376 8.591 -2.436 1.00 44.11 H new ATOM 0 HB THR A 2 -13.841 11.101 -4.103 1.00 24.21 H new ATOM 0 HG1 THR A 2 -15.517 10.215 -5.492 1.00 33.41 H new ATOM 0 HG21 THR A 2 -13.275 9.519 -5.923 1.00 31.00 H new ATOM 0 HG22 THR A 2 -12.199 9.323 -4.519 1.00 31.00 H new ATOM 0 HG23 THR A 2 -13.513 8.157 -4.802 1.00 31.00 H new ATOM 34 N GLN A 3 -12.036 8.783 -1.587 1.00 73.11 N ATOM 35 CA GLN A 3 -10.600 8.799 -1.275 1.00 63.32 C ATOM 36 C GLN A 3 -9.811 8.115 -2.400 1.00 71.12 C ATOM 37 O GLN A 3 -10.110 6.980 -2.773 1.00 5.23 O ATOM 38 CB GLN A 3 -10.314 8.109 0.070 1.00 74.44 C ATOM 39 CG GLN A 3 -10.875 8.855 1.280 1.00 64.32 C ATOM 40 CD GLN A 3 -10.435 8.260 2.612 1.00 45.50 C ATOM 41 OE1 GLN A 3 -10.284 8.971 3.603 1.00 73.20 O ATOM 42 NE2 GLN A 3 -10.233 6.958 2.655 1.00 35.04 N ATOM 0 H GLN A 3 -12.487 7.882 -1.428 1.00 73.11 H new ATOM 0 HA GLN A 3 -10.282 9.838 -1.193 1.00 63.32 H new ATOM 0 HB2 GLN A 3 -10.735 7.104 0.048 1.00 74.44 H new ATOM 0 HB3 GLN A 3 -9.236 8.001 0.190 1.00 74.44 H new ATOM 0 HG2 GLN A 3 -10.560 9.897 1.234 1.00 64.32 H new ATOM 0 HG3 GLN A 3 -11.964 8.849 1.229 1.00 64.32 H new ATOM 0 HE21 GLN A 3 -10.366 6.393 1.816 1.00 35.04 H new ATOM 0 HE22 GLN A 3 -9.943 6.515 3.527 1.00 35.04 H new ATOM 51 N LYS A 4 -8.802 8.807 -2.930 1.00 72.11 N ATOM 52 CA LYS A 4 -8.052 8.318 -4.099 1.00 4.32 C ATOM 53 C LYS A 4 -7.310 7.002 -3.813 1.00 4.42 C ATOM 54 O LYS A 4 -7.082 6.202 -4.724 1.00 53.00 O ATOM 55 CB LYS A 4 -7.067 9.388 -4.593 1.00 23.35 C ATOM 56 CG LYS A 4 -7.750 10.672 -5.064 1.00 61.31 C ATOM 57 CD LYS A 4 -6.774 11.636 -5.731 1.00 62.53 C ATOM 58 CE LYS A 4 -6.170 11.041 -6.998 1.00 13.31 C ATOM 59 NZ LYS A 4 -5.258 11.996 -7.677 1.00 1.34 N ATOM 0 H LYS A 4 -8.482 9.707 -2.573 1.00 72.11 H new ATOM 0 HA LYS A 4 -8.782 8.113 -4.881 1.00 4.32 H new ATOM 0 HB2 LYS A 4 -6.371 9.629 -3.789 1.00 23.35 H new ATOM 0 HB3 LYS A 4 -6.477 8.977 -5.413 1.00 23.35 H new ATOM 0 HG2 LYS A 4 -8.546 10.421 -5.765 1.00 61.31 H new ATOM 0 HG3 LYS A 4 -8.219 11.165 -4.212 1.00 61.31 H new ATOM 0 HD2 LYS A 4 -7.290 12.565 -5.975 1.00 62.53 H new ATOM 0 HD3 LYS A 4 -5.977 11.888 -5.032 1.00 62.53 H new ATOM 0 HE2 LYS A 4 -5.623 10.132 -6.747 1.00 13.31 H new ATOM 0 HE3 LYS A 4 -6.969 10.754 -7.681 1.00 13.31 H new ATOM 0 HZ1 LYS A 4 -4.868 11.554 -8.534 1.00 1.34 H new ATOM 0 HZ2 LYS A 4 -5.785 12.853 -7.939 1.00 1.34 H new ATOM 0 HZ3 LYS A 4 -4.481 12.251 -7.034 1.00 1.34 H new ATOM 73 N PHE A 5 -6.924 6.793 -2.555 1.00 62.42 N ATOM 74 CA PHE A 5 -6.295 5.534 -2.136 1.00 3.04 C ATOM 75 C PHE A 5 -7.276 4.686 -1.311 1.00 30.51 C ATOM 76 O PHE A 5 -7.663 5.065 -0.203 1.00 62.34 O ATOM 77 CB PHE A 5 -5.026 5.814 -1.317 1.00 53.55 C ATOM 78 CG PHE A 5 -3.935 6.514 -2.092 1.00 22.54 C ATOM 79 CD1 PHE A 5 -3.952 7.892 -2.251 1.00 32.45 C ATOM 80 CD2 PHE A 5 -2.888 5.792 -2.649 1.00 3.33 C ATOM 81 CE1 PHE A 5 -2.949 8.535 -2.950 1.00 62.44 C ATOM 82 CE2 PHE A 5 -1.883 6.433 -3.349 1.00 52.52 C ATOM 83 CZ PHE A 5 -1.914 7.806 -3.498 1.00 21.22 C ATOM 0 H PHE A 5 -7.034 7.477 -1.806 1.00 62.42 H new ATOM 0 HA PHE A 5 -6.020 4.977 -3.032 1.00 3.04 H new ATOM 0 HB2 PHE A 5 -5.291 6.423 -0.453 1.00 53.55 H new ATOM 0 HB3 PHE A 5 -4.637 4.870 -0.935 1.00 53.55 H new ATOM 0 HD1 PHE A 5 -4.759 8.469 -1.823 1.00 32.45 H new ATOM 0 HD2 PHE A 5 -2.858 4.719 -2.534 1.00 3.33 H new ATOM 0 HE1 PHE A 5 -2.975 9.608 -3.067 1.00 62.44 H new ATOM 0 HE2 PHE A 5 -1.074 5.861 -3.779 1.00 52.52 H new ATOM 0 HZ PHE A 5 -1.129 8.308 -4.043 1.00 21.22 H new ATOM 93 N THR A 6 -7.679 3.542 -1.861 1.00 54.54 N ATOM 94 CA THR A 6 -8.640 2.647 -1.196 1.00 3.54 C ATOM 95 C THR A 6 -8.101 1.219 -1.071 1.00 65.12 C ATOM 96 O THR A 6 -7.153 0.838 -1.752 1.00 4.24 O ATOM 97 CB THR A 6 -9.991 2.600 -1.952 1.00 60.42 C ATOM 98 OG1 THR A 6 -10.870 1.639 -1.341 1.00 62.04 O ATOM 99 CG2 THR A 6 -9.791 2.246 -3.425 1.00 65.25 C ATOM 0 H THR A 6 -7.357 3.207 -2.769 1.00 54.54 H new ATOM 0 HA THR A 6 -8.794 3.059 -0.199 1.00 3.54 H new ATOM 0 HB THR A 6 -10.439 3.592 -1.894 1.00 60.42 H new ATOM 0 HG1 THR A 6 -11.721 1.619 -1.826 1.00 62.04 H new ATOM 0 HG21 THR A 6 -10.758 2.221 -3.928 1.00 65.25 H new ATOM 0 HG22 THR A 6 -9.156 2.996 -3.897 1.00 65.25 H new ATOM 0 HG23 THR A 6 -9.316 1.268 -3.503 1.00 65.25 H new ATOM 107 N LYS A 7 -8.730 0.423 -0.207 1.00 54.00 N ATOM 108 CA LYS A 7 -8.320 -0.972 0.015 1.00 71.13 C ATOM 109 C LYS A 7 -8.486 -1.825 -1.257 1.00 62.41 C ATOM 110 O LYS A 7 -7.886 -2.895 -1.384 1.00 43.20 O ATOM 111 CB LYS A 7 -9.141 -1.582 1.161 1.00 42.03 C ATOM 112 CG LYS A 7 -10.648 -1.584 0.907 1.00 62.11 C ATOM 113 CD LYS A 7 -11.416 -2.275 2.032 1.00 53.54 C ATOM 114 CE LYS A 7 -11.225 -1.579 3.377 1.00 33.34 C ATOM 115 NZ LYS A 7 -11.932 -2.292 4.473 1.00 73.31 N ATOM 0 H LYS A 7 -9.529 0.718 0.355 1.00 54.00 H new ATOM 0 HA LYS A 7 -7.263 -0.969 0.280 1.00 71.13 H new ATOM 0 HB2 LYS A 7 -8.809 -2.607 1.328 1.00 42.03 H new ATOM 0 HB3 LYS A 7 -8.937 -1.027 2.077 1.00 42.03 H new ATOM 0 HG2 LYS A 7 -11.000 -0.557 0.805 1.00 62.11 H new ATOM 0 HG3 LYS A 7 -10.856 -2.088 -0.037 1.00 62.11 H new ATOM 0 HD2 LYS A 7 -12.477 -2.297 1.784 1.00 53.54 H new ATOM 0 HD3 LYS A 7 -11.086 -3.311 2.111 1.00 53.54 H new ATOM 0 HE2 LYS A 7 -10.161 -1.521 3.608 1.00 33.34 H new ATOM 0 HE3 LYS A 7 -11.594 -0.555 3.312 1.00 33.34 H new ATOM 0 HZ1 LYS A 7 -11.821 -1.762 5.361 1.00 73.31 H new ATOM 0 HZ2 LYS A 7 -12.943 -2.371 4.241 1.00 73.31 H new ATOM 0 HZ3 LYS A 7 -11.528 -3.244 4.586 1.00 73.31 H new ATOM 129 N ASP A 8 -9.312 -1.337 -2.183 1.00 23.33 N ATOM 130 CA ASP A 8 -9.595 -2.029 -3.444 1.00 73.41 C ATOM 131 C ASP A 8 -8.362 -2.088 -4.371 1.00 44.01 C ATOM 132 O ASP A 8 -8.057 -3.134 -4.949 1.00 23.34 O ATOM 133 CB ASP A 8 -10.753 -1.318 -4.155 1.00 74.43 C ATOM 134 CG ASP A 8 -11.083 -1.934 -5.503 1.00 11.15 C ATOM 135 OD1 ASP A 8 -11.831 -2.931 -5.537 1.00 24.14 O ATOM 136 OD2 ASP A 8 -10.594 -1.424 -6.532 1.00 20.44 O ATOM 0 H ASP A 8 -9.805 -0.450 -2.081 1.00 23.33 H new ATOM 0 HA ASP A 8 -9.866 -3.058 -3.210 1.00 73.41 H new ATOM 0 HB2 ASP A 8 -11.638 -1.350 -3.520 1.00 74.43 H new ATOM 0 HB3 ASP A 8 -10.498 -0.267 -4.293 1.00 74.43 H new ATOM 141 N MET A 9 -7.653 -0.965 -4.505 1.00 21.32 N ATOM 142 CA MET A 9 -6.509 -0.875 -5.426 1.00 65.51 C ATOM 143 C MET A 9 -5.315 -1.716 -4.940 1.00 0.32 C ATOM 144 O MET A 9 -5.158 -1.968 -3.743 1.00 1.35 O ATOM 145 CB MET A 9 -6.088 0.593 -5.617 1.00 11.22 C ATOM 146 CG MET A 9 -5.591 1.267 -4.346 1.00 21.53 C ATOM 147 SD MET A 9 -5.350 3.045 -4.546 1.00 43.41 S ATOM 148 CE MET A 9 -4.154 3.091 -5.880 1.00 4.11 C ATOM 0 H MET A 9 -7.847 -0.106 -3.991 1.00 21.32 H new ATOM 0 HA MET A 9 -6.828 -1.281 -6.386 1.00 65.51 H new ATOM 0 HB2 MET A 9 -5.302 0.639 -6.371 1.00 11.22 H new ATOM 0 HB3 MET A 9 -6.937 1.156 -6.006 1.00 11.22 H new ATOM 0 HG2 MET A 9 -6.306 1.090 -3.543 1.00 21.53 H new ATOM 0 HG3 MET A 9 -4.650 0.809 -4.042 1.00 21.53 H new ATOM 0 HE1 MET A 9 -3.527 3.976 -5.776 1.00 4.11 H new ATOM 0 HE2 MET A 9 -3.531 2.198 -5.841 1.00 4.11 H new ATOM 0 HE3 MET A 9 -4.676 3.127 -6.836 1.00 4.11 H new ATOM 158 N THR A 10 -4.478 -2.149 -5.880 1.00 12.24 N ATOM 159 CA THR A 10 -3.312 -2.988 -5.563 1.00 71.01 C ATOM 160 C THR A 10 -2.056 -2.151 -5.298 1.00 43.13 C ATOM 161 O THR A 10 -2.019 -0.952 -5.587 1.00 70.45 O ATOM 162 CB THR A 10 -2.999 -3.980 -6.708 1.00 13.33 C ATOM 163 OG1 THR A 10 -2.553 -3.268 -7.872 1.00 15.04 O ATOM 164 CG2 THR A 10 -4.228 -4.815 -7.059 1.00 24.21 C ATOM 0 H THR A 10 -4.581 -1.935 -6.872 1.00 12.24 H new ATOM 0 HA THR A 10 -3.577 -3.537 -4.659 1.00 71.01 H new ATOM 0 HB THR A 10 -2.209 -4.649 -6.367 1.00 13.33 H new ATOM 0 HG1 THR A 10 -2.356 -3.905 -8.590 1.00 15.04 H new ATOM 0 HG21 THR A 10 -3.981 -5.504 -7.867 1.00 24.21 H new ATOM 0 HG22 THR A 10 -4.546 -5.381 -6.183 1.00 24.21 H new ATOM 0 HG23 THR A 10 -5.036 -4.157 -7.378 1.00 24.21 H new ATOM 172 N PHE A 11 -1.024 -2.798 -4.751 1.00 64.13 N ATOM 173 CA PHE A 11 0.264 -2.137 -4.501 1.00 60.41 C ATOM 174 C PHE A 11 0.860 -1.561 -5.797 1.00 43.02 C ATOM 175 O PHE A 11 1.371 -0.440 -5.810 1.00 32.01 O ATOM 176 CB PHE A 11 1.254 -3.118 -3.855 1.00 64.43 C ATOM 177 CG PHE A 11 0.861 -3.546 -2.459 1.00 20.50 C ATOM 178 CD1 PHE A 11 1.272 -2.813 -1.354 1.00 14.12 C ATOM 179 CD2 PHE A 11 0.084 -4.676 -2.254 1.00 13.20 C ATOM 180 CE1 PHE A 11 0.917 -3.201 -0.074 1.00 3.21 C ATOM 181 CE2 PHE A 11 -0.275 -5.066 -0.976 1.00 64.14 C ATOM 182 CZ PHE A 11 0.143 -4.328 0.114 1.00 70.13 C ATOM 0 H PHE A 11 -1.053 -3.779 -4.472 1.00 64.13 H new ATOM 0 HA PHE A 11 0.084 -1.309 -3.815 1.00 60.41 H new ATOM 0 HB2 PHE A 11 1.340 -4.003 -4.486 1.00 64.43 H new ATOM 0 HB3 PHE A 11 2.240 -2.655 -3.820 1.00 64.43 H new ATOM 0 HD1 PHE A 11 1.876 -1.929 -1.495 1.00 14.12 H new ATOM 0 HD2 PHE A 11 -0.245 -5.259 -3.102 1.00 13.20 H new ATOM 0 HE1 PHE A 11 1.245 -2.623 0.777 1.00 3.21 H new ATOM 0 HE2 PHE A 11 -0.882 -5.947 -0.831 1.00 64.14 H new ATOM 0 HZ PHE A 11 -0.135 -4.632 1.112 1.00 70.13 H new ATOM 192 N ALA A 12 0.781 -2.332 -6.886 1.00 21.34 N ATOM 193 CA ALA A 12 1.276 -1.877 -8.191 1.00 74.43 C ATOM 194 C ALA A 12 0.565 -0.590 -8.637 1.00 22.43 C ATOM 195 O ALA A 12 1.201 0.349 -9.124 1.00 1.41 O ATOM 196 CB ALA A 12 1.103 -2.970 -9.243 1.00 12.55 C ATOM 0 H ALA A 12 0.381 -3.270 -6.891 1.00 21.34 H new ATOM 0 HA ALA A 12 2.339 -1.658 -8.086 1.00 74.43 H new ATOM 0 HB1 ALA A 12 1.476 -2.613 -10.203 1.00 12.55 H new ATOM 0 HB2 ALA A 12 1.663 -3.856 -8.943 1.00 12.55 H new ATOM 0 HB3 ALA A 12 0.047 -3.222 -9.335 1.00 12.55 H new ATOM 202 N GLN A 13 -0.757 -0.555 -8.460 1.00 63.10 N ATOM 203 CA GLN A 13 -1.558 0.629 -8.794 1.00 42.15 C ATOM 204 C GLN A 13 -1.162 1.833 -7.922 1.00 54.43 C ATOM 205 O GLN A 13 -1.040 2.955 -8.413 1.00 32.30 O ATOM 206 CB GLN A 13 -3.054 0.325 -8.619 1.00 1.21 C ATOM 207 CG GLN A 13 -3.560 -0.818 -9.496 1.00 33.43 C ATOM 208 CD GLN A 13 -5.022 -1.160 -9.248 1.00 73.31 C ATOM 209 OE1 GLN A 13 -5.430 -2.311 -9.368 1.00 12.44 O ATOM 210 NE2 GLN A 13 -5.828 -0.171 -8.909 1.00 21.23 N ATOM 0 H GLN A 13 -1.299 -1.334 -8.086 1.00 63.10 H new ATOM 0 HA GLN A 13 -1.362 0.883 -9.836 1.00 42.15 H new ATOM 0 HB2 GLN A 13 -3.245 0.080 -7.574 1.00 1.21 H new ATOM 0 HB3 GLN A 13 -3.626 1.225 -8.846 1.00 1.21 H new ATOM 0 HG2 GLN A 13 -3.429 -0.549 -10.544 1.00 33.43 H new ATOM 0 HG3 GLN A 13 -2.950 -1.703 -9.316 1.00 33.43 H new ATOM 0 HE21 GLN A 13 -5.462 0.776 -8.816 1.00 21.23 H new ATOM 0 HE22 GLN A 13 -6.817 -0.354 -8.740 1.00 21.23 H new ATOM 219 N ALA A 14 -0.956 1.585 -6.627 1.00 12.53 N ATOM 220 CA ALA A 14 -0.562 2.638 -5.681 1.00 11.44 C ATOM 221 C ALA A 14 0.769 3.293 -6.084 1.00 72.23 C ATOM 222 O ALA A 14 0.893 4.520 -6.091 1.00 55.03 O ATOM 223 CB ALA A 14 -0.476 2.071 -4.267 1.00 5.31 C ATOM 0 H ALA A 14 -1.055 0.661 -6.206 1.00 12.53 H new ATOM 0 HA ALA A 14 -1.328 3.413 -5.705 1.00 11.44 H new ATOM 0 HB1 ALA A 14 -0.183 2.861 -3.575 1.00 5.31 H new ATOM 0 HB2 ALA A 14 -1.448 1.674 -3.974 1.00 5.31 H new ATOM 0 HB3 ALA A 14 0.265 1.272 -4.240 1.00 5.31 H new ATOM 229 N LEU A 15 1.756 2.466 -6.431 1.00 24.42 N ATOM 230 CA LEU A 15 3.065 2.961 -6.881 1.00 63.41 C ATOM 231 C LEU A 15 2.940 3.817 -8.152 1.00 30.35 C ATOM 232 O LEU A 15 3.738 4.727 -8.383 1.00 73.35 O ATOM 233 CB LEU A 15 4.022 1.784 -7.130 1.00 42.32 C ATOM 234 CG LEU A 15 4.340 0.921 -5.894 1.00 73.21 C ATOM 235 CD1 LEU A 15 5.302 -0.208 -6.254 1.00 51.42 C ATOM 236 CD2 LEU A 15 4.909 1.777 -4.765 1.00 4.11 C ATOM 0 H LEU A 15 1.677 1.449 -6.410 1.00 24.42 H new ATOM 0 HA LEU A 15 3.470 3.593 -6.090 1.00 63.41 H new ATOM 0 HB2 LEU A 15 3.591 1.143 -7.899 1.00 42.32 H new ATOM 0 HB3 LEU A 15 4.957 2.176 -7.529 1.00 42.32 H new ATOM 0 HG LEU A 15 3.409 0.475 -5.545 1.00 73.21 H new ATOM 0 HD11 LEU A 15 5.512 -0.804 -5.366 1.00 51.42 H new ATOM 0 HD12 LEU A 15 4.850 -0.841 -7.018 1.00 51.42 H new ATOM 0 HD13 LEU A 15 6.232 0.214 -6.636 1.00 51.42 H new ATOM 0 HD21 LEU A 15 5.126 1.146 -3.903 1.00 4.11 H new ATOM 0 HD22 LEU A 15 5.827 2.259 -5.101 1.00 4.11 H new ATOM 0 HD23 LEU A 15 4.181 2.538 -4.483 1.00 4.11 H new ATOM 248 N GLN A 16 1.939 3.516 -8.980 1.00 52.52 N ATOM 249 CA GLN A 16 1.668 4.313 -10.184 1.00 25.15 C ATOM 250 C GLN A 16 0.925 5.614 -9.838 1.00 75.43 C ATOM 251 O GLN A 16 1.094 6.636 -10.507 1.00 24.42 O ATOM 252 CB GLN A 16 0.858 3.498 -11.201 1.00 42.40 C ATOM 253 CG GLN A 16 1.558 2.225 -11.669 1.00 3.03 C ATOM 254 CD GLN A 16 2.924 2.493 -12.282 1.00 34.54 C ATOM 255 OE1 GLN A 16 3.051 2.705 -13.484 1.00 73.10 O ATOM 256 NE2 GLN A 16 3.960 2.482 -11.465 1.00 3.15 N ATOM 0 H GLN A 16 1.303 2.730 -8.843 1.00 52.52 H new ATOM 0 HA GLN A 16 2.628 4.577 -10.627 1.00 25.15 H new ATOM 0 HB2 GLN A 16 -0.101 3.232 -10.757 1.00 42.40 H new ATOM 0 HB3 GLN A 16 0.646 4.124 -12.068 1.00 42.40 H new ATOM 0 HG2 GLN A 16 1.671 1.547 -10.823 1.00 3.03 H new ATOM 0 HG3 GLN A 16 0.929 1.719 -12.402 1.00 3.03 H new ATOM 0 HE21 GLN A 16 3.823 2.303 -10.470 1.00 3.15 H new ATOM 0 HE22 GLN A 16 4.898 2.653 -11.828 1.00 3.15 H new ATOM 265 N THR A 17 0.097 5.569 -8.796 1.00 42.40 N ATOM 266 CA THR A 17 -0.636 6.755 -8.336 1.00 75.35 C ATOM 267 C THR A 17 0.327 7.829 -7.807 1.00 63.33 C ATOM 268 O THR A 17 0.280 8.985 -8.227 1.00 55.33 O ATOM 269 CB THR A 17 -1.655 6.408 -7.222 1.00 45.21 C ATOM 270 OG1 THR A 17 -2.510 5.336 -7.643 1.00 72.13 O ATOM 271 CG2 THR A 17 -2.508 7.619 -6.860 1.00 23.54 C ATOM 0 H THR A 17 -0.086 4.726 -8.252 1.00 42.40 H new ATOM 0 HA THR A 17 -1.176 7.139 -9.201 1.00 75.35 H new ATOM 0 HB THR A 17 -1.090 6.101 -6.342 1.00 45.21 H new ATOM 0 HG1 THR A 17 -1.975 4.527 -7.785 1.00 72.13 H new ATOM 0 HG21 THR A 17 -3.214 7.346 -6.076 1.00 23.54 H new ATOM 0 HG22 THR A 17 -1.865 8.424 -6.505 1.00 23.54 H new ATOM 0 HG23 THR A 17 -3.056 7.954 -7.741 1.00 23.54 H new ATOM 279 N HIS A 18 1.202 7.436 -6.880 1.00 72.21 N ATOM 280 CA HIS A 18 2.211 8.344 -6.310 1.00 52.51 C ATOM 281 C HIS A 18 3.521 7.596 -5.996 1.00 42.40 C ATOM 282 O HIS A 18 3.521 6.634 -5.231 1.00 45.21 O ATOM 283 CB HIS A 18 1.680 9.016 -5.025 1.00 0.25 C ATOM 284 CG HIS A 18 0.999 10.339 -5.238 1.00 1.34 C ATOM 285 ND1 HIS A 18 0.768 10.893 -6.476 1.00 4.42 N ATOM 286 CD2 HIS A 18 0.528 11.237 -4.341 1.00 45.11 C ATOM 287 CE1 HIS A 18 0.190 12.068 -6.332 1.00 42.44 C ATOM 288 NE2 HIS A 18 0.032 12.305 -5.046 1.00 0.51 N ATOM 0 H HIS A 18 1.236 6.489 -6.503 1.00 72.21 H new ATOM 0 HA HIS A 18 2.417 9.111 -7.056 1.00 52.51 H new ATOM 0 HB2 HIS A 18 0.979 8.337 -4.540 1.00 0.25 H new ATOM 0 HB3 HIS A 18 2.513 9.159 -4.336 1.00 0.25 H new ATOM 0 HD1 HIS A 18 1.007 10.460 -7.368 1.00 4.42 H new ATOM 0 HD2 HIS A 18 0.540 11.132 -3.266 1.00 45.11 H new ATOM 0 HE1 HIS A 18 -0.105 12.727 -7.135 1.00 42.44 H new ATOM 297 N PRO A 19 4.659 8.038 -6.568 1.00 71.40 N ATOM 298 CA PRO A 19 5.977 7.427 -6.299 1.00 24.30 C ATOM 299 C PRO A 19 6.324 7.382 -4.798 1.00 64.00 C ATOM 300 O PRO A 19 7.040 6.485 -4.337 1.00 23.00 O ATOM 301 CB PRO A 19 6.953 8.344 -7.050 1.00 31.24 C ATOM 302 CG PRO A 19 6.129 8.967 -8.127 1.00 1.22 C ATOM 303 CD PRO A 19 4.758 9.148 -7.535 1.00 75.34 C ATOM 0 HA PRO A 19 6.010 6.386 -6.620 1.00 24.30 H new ATOM 0 HB2 PRO A 19 7.377 9.099 -6.388 1.00 31.24 H new ATOM 0 HB3 PRO A 19 7.788 7.779 -7.466 1.00 31.24 H new ATOM 0 HG2 PRO A 19 6.550 9.923 -8.439 1.00 1.22 H new ATOM 0 HG3 PRO A 19 6.093 8.330 -9.011 1.00 1.22 H new ATOM 0 HD2 PRO A 19 4.655 10.117 -7.047 1.00 75.34 H new ATOM 0 HD3 PRO A 19 3.980 9.090 -8.296 1.00 75.34 H new ATOM 311 N GLY A 20 5.800 8.349 -4.040 1.00 41.24 N ATOM 312 CA GLY A 20 6.040 8.400 -2.597 1.00 41.44 C ATOM 313 C GLY A 20 5.478 7.199 -1.836 1.00 41.33 C ATOM 314 O GLY A 20 5.899 6.918 -0.707 1.00 30.10 O ATOM 0 H GLY A 20 5.212 9.101 -4.399 1.00 41.24 H new ATOM 0 HA2 GLY A 20 7.114 8.462 -2.418 1.00 41.44 H new ATOM 0 HA3 GLY A 20 5.597 9.312 -2.196 1.00 41.44 H new ATOM 318 N VAL A 21 4.530 6.486 -2.450 1.00 65.31 N ATOM 319 CA VAL A 21 3.915 5.305 -1.827 1.00 13.35 C ATOM 320 C VAL A 21 4.964 4.241 -1.474 1.00 25.03 C ATOM 321 O VAL A 21 4.855 3.569 -0.450 1.00 23.12 O ATOM 322 CB VAL A 21 2.830 4.678 -2.745 1.00 61.15 C ATOM 323 CG1 VAL A 21 2.291 3.374 -2.154 1.00 34.23 C ATOM 324 CG2 VAL A 21 1.692 5.670 -2.987 1.00 55.02 C ATOM 0 H VAL A 21 4.170 6.704 -3.379 1.00 65.31 H new ATOM 0 HA VAL A 21 3.442 5.649 -0.907 1.00 13.35 H new ATOM 0 HB VAL A 21 3.295 4.444 -3.702 1.00 61.15 H new ATOM 0 HG11 VAL A 21 1.533 2.959 -2.819 1.00 34.23 H new ATOM 0 HG12 VAL A 21 3.107 2.660 -2.043 1.00 34.23 H new ATOM 0 HG13 VAL A 21 1.848 3.573 -1.178 1.00 34.23 H new ATOM 0 HG21 VAL A 21 0.942 5.213 -3.632 1.00 55.02 H new ATOM 0 HG22 VAL A 21 1.236 5.940 -2.035 1.00 55.02 H new ATOM 0 HG23 VAL A 21 2.086 6.566 -3.467 1.00 55.02 H new ATOM 334 N ALA A 22 5.989 4.106 -2.319 1.00 5.22 N ATOM 335 CA ALA A 22 7.079 3.152 -2.073 1.00 3.15 C ATOM 336 C ALA A 22 7.686 3.345 -0.674 1.00 52.21 C ATOM 337 O ALA A 22 7.821 2.391 0.096 1.00 32.21 O ATOM 338 CB ALA A 22 8.153 3.294 -3.147 1.00 61.41 C ATOM 0 H ALA A 22 6.089 4.644 -3.180 1.00 5.22 H new ATOM 0 HA ALA A 22 6.665 2.145 -2.118 1.00 3.15 H new ATOM 0 HB1 ALA A 22 8.956 2.582 -2.955 1.00 61.41 H new ATOM 0 HB2 ALA A 22 7.717 3.094 -4.126 1.00 61.41 H new ATOM 0 HB3 ALA A 22 8.554 4.307 -3.129 1.00 61.41 H new ATOM 344 N GLY A 23 8.035 4.589 -0.346 1.00 73.55 N ATOM 345 CA GLY A 23 8.564 4.899 0.977 1.00 14.41 C ATOM 346 C GLY A 23 7.584 4.584 2.102 1.00 64.34 C ATOM 347 O GLY A 23 7.984 4.119 3.169 1.00 10.22 O ATOM 0 H GLY A 23 7.961 5.390 -0.973 1.00 73.55 H new ATOM 0 HA2 GLY A 23 9.483 4.335 1.135 1.00 14.41 H new ATOM 0 HA3 GLY A 23 8.827 5.956 1.018 1.00 14.41 H new ATOM 351 N VAL A 24 6.297 4.834 1.866 1.00 32.11 N ATOM 352 CA VAL A 24 5.255 4.529 2.854 1.00 42.34 C ATOM 353 C VAL A 24 5.169 3.018 3.113 1.00 52.12 C ATOM 354 O VAL A 24 5.125 2.573 4.262 1.00 72.25 O ATOM 355 CB VAL A 24 3.870 5.045 2.392 1.00 43.53 C ATOM 356 CG1 VAL A 24 2.800 4.758 3.448 1.00 63.40 C ATOM 357 CG2 VAL A 24 3.934 6.536 2.071 1.00 34.24 C ATOM 0 H VAL A 24 5.948 5.247 1.001 1.00 32.11 H new ATOM 0 HA VAL A 24 5.532 5.039 3.777 1.00 42.34 H new ATOM 0 HB VAL A 24 3.593 4.512 1.483 1.00 43.53 H new ATOM 0 HG11 VAL A 24 1.836 5.130 3.100 1.00 63.40 H new ATOM 0 HG12 VAL A 24 2.735 3.683 3.617 1.00 63.40 H new ATOM 0 HG13 VAL A 24 3.066 5.256 4.380 1.00 63.40 H new ATOM 0 HG21 VAL A 24 2.952 6.881 1.748 1.00 34.24 H new ATOM 0 HG22 VAL A 24 4.238 7.087 2.961 1.00 34.24 H new ATOM 0 HG23 VAL A 24 4.658 6.706 1.274 1.00 34.24 H new ATOM 367 N LEU A 25 5.158 2.236 2.037 1.00 14.42 N ATOM 368 CA LEU A 25 5.138 0.775 2.143 1.00 15.44 C ATOM 369 C LEU A 25 6.354 0.271 2.933 1.00 12.53 C ATOM 370 O LEU A 25 6.217 -0.524 3.858 1.00 3.25 O ATOM 371 CB LEU A 25 5.104 0.142 0.745 1.00 41.32 C ATOM 372 CG LEU A 25 3.904 0.548 -0.129 1.00 23.02 C ATOM 373 CD1 LEU A 25 3.987 -0.101 -1.509 1.00 11.53 C ATOM 374 CD2 LEU A 25 2.586 0.195 0.564 1.00 1.01 C ATOM 0 H LEU A 25 5.163 2.587 1.079 1.00 14.42 H new ATOM 0 HA LEU A 25 4.237 0.480 2.681 1.00 15.44 H new ATOM 0 HB2 LEU A 25 6.022 0.408 0.221 1.00 41.32 H new ATOM 0 HB3 LEU A 25 5.103 -0.942 0.855 1.00 41.32 H new ATOM 0 HG LEU A 25 3.936 1.629 -0.267 1.00 23.02 H new ATOM 0 HD11 LEU A 25 3.127 0.202 -2.106 1.00 11.53 H new ATOM 0 HD12 LEU A 25 4.904 0.216 -2.006 1.00 11.53 H new ATOM 0 HD13 LEU A 25 3.989 -1.186 -1.401 1.00 11.53 H new ATOM 0 HD21 LEU A 25 1.751 0.490 -0.071 1.00 1.01 H new ATOM 0 HD22 LEU A 25 2.545 -0.880 0.741 1.00 1.01 H new ATOM 0 HD23 LEU A 25 2.523 0.723 1.516 1.00 1.01 H new ATOM 386 N ARG A 26 7.540 0.754 2.574 1.00 62.30 N ATOM 387 CA ARG A 26 8.765 0.435 3.317 1.00 72.52 C ATOM 388 C ARG A 26 8.635 0.844 4.794 1.00 21.42 C ATOM 389 O ARG A 26 9.005 0.093 5.699 1.00 34.41 O ATOM 390 CB ARG A 26 9.961 1.152 2.679 1.00 74.31 C ATOM 391 CG ARG A 26 10.220 0.739 1.232 1.00 65.43 C ATOM 392 CD ARG A 26 11.338 1.559 0.598 1.00 33.01 C ATOM 393 NE ARG A 26 12.584 1.463 1.356 1.00 71.01 N ATOM 394 CZ ARG A 26 13.572 0.666 1.055 1.00 4.41 C ATOM 395 NH1 ARG A 26 13.514 -0.107 0.015 1.00 64.51 N ATOM 396 NH2 ARG A 26 14.630 0.648 1.794 1.00 1.44 N ATOM 0 H ARG A 26 7.683 1.369 1.773 1.00 62.30 H new ATOM 0 HA ARG A 26 8.923 -0.643 3.274 1.00 72.52 H new ATOM 0 HB2 ARG A 26 9.791 2.228 2.716 1.00 74.31 H new ATOM 0 HB3 ARG A 26 10.853 0.950 3.271 1.00 74.31 H new ATOM 0 HG2 ARG A 26 10.481 -0.319 1.198 1.00 65.43 H new ATOM 0 HG3 ARG A 26 9.306 0.861 0.651 1.00 65.43 H new ATOM 0 HD2 ARG A 26 11.507 1.214 -0.422 1.00 33.01 H new ATOM 0 HD3 ARG A 26 11.031 2.603 0.535 1.00 33.01 H new ATOM 0 HE ARG A 26 12.688 2.060 2.176 1.00 71.01 H new ATOM 0 HH11 ARG A 26 12.687 -0.098 -0.582 1.00 64.51 H new ATOM 0 HH12 ARG A 26 14.295 -0.724 -0.206 1.00 64.51 H new ATOM 0 HH21 ARG A 26 14.692 1.256 2.611 1.00 1.44 H new ATOM 0 HH22 ARG A 26 15.404 0.026 1.561 1.00 1.44 H new ATOM 410 N SER A 27 8.095 2.040 5.021 1.00 40.21 N ATOM 411 CA SER A 27 7.866 2.563 6.379 1.00 72.02 C ATOM 412 C SER A 27 6.921 1.655 7.185 1.00 21.12 C ATOM 413 O SER A 27 7.088 1.480 8.392 1.00 0.41 O ATOM 414 CB SER A 27 7.283 3.985 6.302 1.00 64.31 C ATOM 415 OG SER A 27 7.035 4.526 7.592 1.00 10.34 O ATOM 0 H SER A 27 7.803 2.675 4.278 1.00 40.21 H new ATOM 0 HA SER A 27 8.827 2.587 6.893 1.00 72.02 H new ATOM 0 HB2 SER A 27 7.975 4.633 5.764 1.00 64.31 H new ATOM 0 HB3 SER A 27 6.354 3.966 5.731 1.00 64.31 H new ATOM 0 HG SER A 27 6.667 5.430 7.502 1.00 10.34 H new ATOM 421 N TYR A 28 5.932 1.075 6.510 1.00 44.03 N ATOM 422 CA TYR A 28 4.970 0.167 7.152 1.00 1.32 C ATOM 423 C TYR A 28 5.426 -1.304 7.106 1.00 33.21 C ATOM 424 O TYR A 28 4.654 -2.202 7.445 1.00 72.22 O ATOM 425 CB TYR A 28 3.590 0.315 6.494 1.00 15.12 C ATOM 426 CG TYR A 28 2.778 1.481 7.030 1.00 64.32 C ATOM 427 CD1 TYR A 28 3.134 2.799 6.755 1.00 62.13 C ATOM 428 CD2 TYR A 28 1.654 1.258 7.818 1.00 33.31 C ATOM 429 CE1 TYR A 28 2.391 3.856 7.252 1.00 14.43 C ATOM 430 CE2 TYR A 28 0.909 2.309 8.316 1.00 62.15 C ATOM 431 CZ TYR A 28 1.280 3.605 8.029 1.00 1.34 C ATOM 432 OH TYR A 28 0.537 4.651 8.529 1.00 34.02 O ATOM 0 H TYR A 28 5.771 1.215 5.513 1.00 44.03 H new ATOM 0 HA TYR A 28 4.909 0.450 8.203 1.00 1.32 H new ATOM 0 HB2 TYR A 28 3.722 0.440 5.419 1.00 15.12 H new ATOM 0 HB3 TYR A 28 3.027 -0.606 6.641 1.00 15.12 H new ATOM 0 HD1 TYR A 28 4.002 2.999 6.145 1.00 62.13 H new ATOM 0 HD2 TYR A 28 1.358 0.244 8.045 1.00 33.31 H new ATOM 0 HE1 TYR A 28 2.680 4.873 7.032 1.00 14.43 H new ATOM 0 HE2 TYR A 28 0.040 2.116 8.927 1.00 62.15 H new ATOM 0 HH TYR A 28 -0.075 4.318 9.218 1.00 34.02 H new ATOM 442 N ASN A 29 6.677 -1.539 6.707 1.00 64.30 N ATOM 443 CA ASN A 29 7.249 -2.899 6.645 1.00 54.21 C ATOM 444 C ASN A 29 6.564 -3.753 5.550 1.00 55.12 C ATOM 445 O ASN A 29 6.620 -4.985 5.559 1.00 50.14 O ATOM 446 CB ASN A 29 7.150 -3.581 8.026 1.00 1.43 C ATOM 447 CG ASN A 29 7.948 -4.872 8.115 1.00 64.52 C ATOM 448 OD1 ASN A 29 8.972 -5.036 7.457 1.00 63.45 O ATOM 449 ND2 ASN A 29 7.493 -5.796 8.942 1.00 25.23 N ATOM 0 H ASN A 29 7.323 -0.804 6.419 1.00 64.30 H new ATOM 0 HA ASN A 29 8.301 -2.814 6.375 1.00 54.21 H new ATOM 0 HB2 ASN A 29 7.503 -2.890 8.791 1.00 1.43 H new ATOM 0 HB3 ASN A 29 6.103 -3.792 8.245 1.00 1.43 H new ATOM 0 HD21 ASN A 29 7.996 -6.677 9.049 1.00 25.23 H new ATOM 0 HD22 ASN A 29 6.639 -5.628 9.474 1.00 25.23 H new ATOM 456 N LEU A 30 5.928 -3.080 4.597 1.00 53.52 N ATOM 457 CA LEU A 30 5.304 -3.741 3.444 1.00 55.14 C ATOM 458 C LEU A 30 6.285 -3.872 2.266 1.00 42.32 C ATOM 459 O LEU A 30 5.947 -4.443 1.232 1.00 2.32 O ATOM 460 CB LEU A 30 4.060 -2.958 2.998 1.00 62.32 C ATOM 461 CG LEU A 30 2.904 -2.923 4.009 1.00 62.33 C ATOM 462 CD1 LEU A 30 1.796 -1.991 3.524 1.00 14.43 C ATOM 463 CD2 LEU A 30 2.357 -4.329 4.252 1.00 43.13 C ATOM 0 H LEU A 30 5.828 -2.065 4.597 1.00 53.52 H new ATOM 0 HA LEU A 30 5.014 -4.745 3.755 1.00 55.14 H new ATOM 0 HB2 LEU A 30 4.357 -1.933 2.776 1.00 62.32 H new ATOM 0 HB3 LEU A 30 3.693 -3.392 2.068 1.00 62.32 H new ATOM 0 HG LEU A 30 3.287 -2.538 4.954 1.00 62.33 H new ATOM 0 HD11 LEU A 30 0.986 -1.979 4.253 1.00 14.43 H new ATOM 0 HD12 LEU A 30 2.194 -0.983 3.407 1.00 14.43 H new ATOM 0 HD13 LEU A 30 1.417 -2.345 2.565 1.00 14.43 H new ATOM 0 HD21 LEU A 30 1.539 -4.282 4.971 1.00 43.13 H new ATOM 0 HD22 LEU A 30 1.991 -4.744 3.313 1.00 43.13 H new ATOM 0 HD23 LEU A 30 3.150 -4.965 4.646 1.00 43.13 H new ATOM 475 N GLY A 31 7.507 -3.361 2.435 1.00 1.12 N ATOM 476 CA GLY A 31 8.508 -3.406 1.363 1.00 4.33 C ATOM 477 C GLY A 31 8.774 -4.817 0.833 1.00 42.33 C ATOM 478 O GLY A 31 9.233 -4.989 -0.297 1.00 23.00 O ATOM 0 H GLY A 31 7.827 -2.915 3.295 1.00 1.12 H new ATOM 0 HA2 GLY A 31 8.175 -2.774 0.540 1.00 4.33 H new ATOM 0 HA3 GLY A 31 9.442 -2.983 1.732 1.00 4.33 H new ATOM 482 N CYS A 32 8.473 -5.828 1.650 1.00 42.12 N ATOM 483 CA CYS A 32 8.642 -7.239 1.255 1.00 72.02 C ATOM 484 C CYS A 32 7.707 -7.655 0.099 1.00 74.11 C ATOM 485 O CYS A 32 7.763 -8.795 -0.372 1.00 14.30 O ATOM 486 CB CYS A 32 8.403 -8.156 2.460 1.00 61.44 C ATOM 487 SG CYS A 32 9.508 -7.847 3.863 1.00 2.20 S ATOM 0 H CYS A 32 8.109 -5.701 2.594 1.00 42.12 H new ATOM 0 HA CYS A 32 9.667 -7.343 0.898 1.00 72.02 H new ATOM 0 HB2 CYS A 32 7.372 -8.039 2.792 1.00 61.44 H new ATOM 0 HB3 CYS A 32 8.519 -9.192 2.142 1.00 61.44 H new ATOM 0 HG CYS A 32 9.224 -8.670 4.828 1.00 2.20 H new ATOM 493 N ILE A 33 6.850 -6.736 -0.359 1.00 75.14 N ATOM 494 CA ILE A 33 5.936 -7.011 -1.483 1.00 74.35 C ATOM 495 C ILE A 33 6.682 -7.452 -2.753 1.00 55.25 C ATOM 496 O ILE A 33 6.101 -8.106 -3.625 1.00 53.10 O ATOM 497 CB ILE A 33 5.054 -5.780 -1.829 1.00 31.43 C ATOM 498 CG1 ILE A 33 5.930 -4.532 -2.052 1.00 35.31 C ATOM 499 CG2 ILE A 33 4.003 -5.539 -0.744 1.00 53.53 C ATOM 500 CD1 ILE A 33 5.148 -3.294 -2.439 1.00 44.43 C ATOM 0 H ILE A 33 6.767 -5.796 0.028 1.00 75.14 H new ATOM 0 HA ILE A 33 5.301 -7.829 -1.144 1.00 74.35 H new ATOM 0 HB ILE A 33 4.524 -5.987 -2.759 1.00 31.43 H new ATOM 0 HG12 ILE A 33 6.490 -4.326 -1.140 1.00 35.31 H new ATOM 0 HG13 ILE A 33 6.660 -4.747 -2.832 1.00 35.31 H new ATOM 0 HG21 ILE A 33 3.398 -4.672 -1.009 1.00 53.53 H new ATOM 0 HG22 ILE A 33 3.362 -6.416 -0.658 1.00 53.53 H new ATOM 0 HG23 ILE A 33 4.499 -5.357 0.209 1.00 53.53 H new ATOM 0 HD11 ILE A 33 5.834 -2.459 -2.578 1.00 44.43 H new ATOM 0 HD12 ILE A 33 4.609 -3.480 -3.368 1.00 44.43 H new ATOM 0 HD13 ILE A 33 4.437 -3.051 -1.650 1.00 44.43 H new ATOM 512 N GLY A 34 7.959 -7.096 -2.853 1.00 34.20 N ATOM 513 CA GLY A 34 8.760 -7.473 -4.015 1.00 10.42 C ATOM 514 C GLY A 34 8.987 -8.980 -4.130 1.00 1.13 C ATOM 515 O GLY A 34 8.717 -9.577 -5.174 1.00 63.53 O ATOM 0 H GLY A 34 8.459 -6.551 -2.150 1.00 34.20 H new ATOM 0 HA2 GLY A 34 8.266 -7.117 -4.919 1.00 10.42 H new ATOM 0 HA3 GLY A 34 9.726 -6.970 -3.960 1.00 10.42 H new ATOM 519 N CYS A 35 9.468 -9.593 -3.052 1.00 23.03 N ATOM 520 CA CYS A 35 9.783 -11.029 -3.044 1.00 22.52 C ATOM 521 C CYS A 35 8.515 -11.897 -3.036 1.00 4.40 C ATOM 522 O CYS A 35 8.445 -12.918 -3.725 1.00 62.41 O ATOM 523 CB CYS A 35 10.650 -11.376 -1.829 1.00 20.24 C ATOM 524 SG CYS A 35 11.118 -13.119 -1.729 1.00 45.44 S ATOM 0 H CYS A 35 9.651 -9.120 -2.167 1.00 23.03 H new ATOM 0 HA CYS A 35 10.331 -11.244 -3.961 1.00 22.52 H new ATOM 0 HB2 CYS A 35 11.555 -10.769 -1.857 1.00 20.24 H new ATOM 0 HB3 CYS A 35 10.111 -11.103 -0.922 1.00 20.24 H new ATOM 0 HG CYS A 35 11.850 -13.312 -0.672 1.00 45.44 H new ATOM 530 N MET A 36 7.514 -11.489 -2.252 1.00 64.23 N ATOM 531 CA MET A 36 6.238 -12.218 -2.185 1.00 10.54 C ATOM 532 C MET A 36 5.374 -11.965 -3.436 1.00 61.22 C ATOM 533 O MET A 36 4.350 -12.618 -3.634 1.00 74.25 O ATOM 534 CB MET A 36 5.457 -11.823 -0.921 1.00 10.41 C ATOM 535 CG MET A 36 5.018 -10.366 -0.896 1.00 23.30 C ATOM 536 SD MET A 36 4.142 -9.915 0.617 1.00 44.02 S ATOM 537 CE MET A 36 2.700 -10.976 0.517 1.00 24.43 C ATOM 0 H MET A 36 7.558 -10.662 -1.656 1.00 64.23 H new ATOM 0 HA MET A 36 6.472 -13.282 -2.144 1.00 10.54 H new ATOM 0 HB2 MET A 36 4.576 -12.459 -0.837 1.00 10.41 H new ATOM 0 HB3 MET A 36 6.077 -12.020 -0.046 1.00 10.41 H new ATOM 0 HG2 MET A 36 5.894 -9.727 -1.005 1.00 23.30 H new ATOM 0 HG3 MET A 36 4.373 -10.172 -1.753 1.00 23.30 H new ATOM 0 HE1 MET A 36 1.836 -10.456 0.932 1.00 24.43 H new ATOM 0 HE2 MET A 36 2.505 -11.228 -0.525 1.00 24.43 H new ATOM 0 HE3 MET A 36 2.880 -11.889 1.084 1.00 24.43 H new ATOM 547 N GLY A 37 5.788 -11.006 -4.268 1.00 42.33 N ATOM 548 CA GLY A 37 5.059 -10.699 -5.495 1.00 63.14 C ATOM 549 C GLY A 37 3.664 -10.134 -5.244 1.00 74.54 C ATOM 550 O GLY A 37 2.727 -10.418 -5.987 1.00 74.22 O ATOM 0 H GLY A 37 6.618 -10.434 -4.114 1.00 42.33 H new ATOM 0 HA2 GLY A 37 5.634 -9.982 -6.081 1.00 63.14 H new ATOM 0 HA3 GLY A 37 4.974 -11.605 -6.095 1.00 63.14 H new ATOM 554 N ALA A 38 3.531 -9.307 -4.210 1.00 4.44 N ATOM 555 CA ALA A 38 2.230 -8.730 -3.842 1.00 12.30 C ATOM 556 C ALA A 38 1.873 -7.504 -4.700 1.00 71.11 C ATOM 557 O ALA A 38 0.938 -6.769 -4.392 1.00 13.34 O ATOM 558 CB ALA A 38 2.221 -8.364 -2.362 1.00 63.34 C ATOM 0 H ALA A 38 4.304 -9.019 -3.610 1.00 4.44 H new ATOM 0 HA ALA A 38 1.470 -9.487 -4.033 1.00 12.30 H new ATOM 0 HB1 ALA A 38 1.253 -7.937 -2.099 1.00 63.34 H new ATOM 0 HB2 ALA A 38 2.398 -9.259 -1.765 1.00 63.34 H new ATOM 0 HB3 ALA A 38 3.006 -7.634 -2.163 1.00 63.34 H new ATOM 564 N GLN A 39 2.613 -7.296 -5.789 1.00 51.42 N ATOM 565 CA GLN A 39 2.352 -6.173 -6.702 1.00 71.31 C ATOM 566 C GLN A 39 0.914 -6.225 -7.251 1.00 63.33 C ATOM 567 O GLN A 39 0.222 -5.209 -7.320 1.00 54.24 O ATOM 568 CB GLN A 39 3.355 -6.198 -7.867 1.00 42.32 C ATOM 569 CG GLN A 39 4.819 -6.144 -7.435 1.00 21.40 C ATOM 570 CD GLN A 39 5.183 -4.846 -6.730 1.00 1.50 C ATOM 571 OE1 GLN A 39 5.589 -3.876 -7.359 1.00 31.32 O ATOM 572 NE2 GLN A 39 5.048 -4.816 -5.417 1.00 53.53 N ATOM 0 H GLN A 39 3.398 -7.887 -6.064 1.00 51.42 H new ATOM 0 HA GLN A 39 2.470 -5.246 -6.140 1.00 71.31 H new ATOM 0 HB2 GLN A 39 3.194 -7.104 -8.451 1.00 42.32 H new ATOM 0 HB3 GLN A 39 3.151 -5.354 -8.525 1.00 42.32 H new ATOM 0 HG2 GLN A 39 5.027 -6.983 -6.771 1.00 21.40 H new ATOM 0 HG3 GLN A 39 5.455 -6.266 -8.311 1.00 21.40 H new ATOM 0 HE21 GLN A 39 4.708 -5.639 -4.920 1.00 53.53 H new ATOM 0 HE22 GLN A 39 5.284 -3.970 -4.899 1.00 53.53 H new ATOM 581 N ASN A 40 0.475 -7.427 -7.615 1.00 22.14 N ATOM 582 CA ASN A 40 -0.862 -7.649 -8.187 1.00 44.22 C ATOM 583 C ASN A 40 -1.912 -7.930 -7.096 1.00 63.15 C ATOM 584 O ASN A 40 -3.020 -8.385 -7.388 1.00 32.21 O ATOM 585 CB ASN A 40 -0.798 -8.828 -9.170 1.00 41.40 C ATOM 586 CG ASN A 40 0.141 -8.565 -10.336 1.00 12.42 C ATOM 587 OD1 ASN A 40 0.207 -7.457 -10.858 1.00 5.40 O ATOM 588 ND2 ASN A 40 0.895 -9.568 -10.735 1.00 22.22 N ATOM 0 H ASN A 40 1.031 -8.277 -7.524 1.00 22.14 H new ATOM 0 HA ASN A 40 -1.167 -6.741 -8.707 1.00 44.22 H new ATOM 0 HB2 ASN A 40 -0.471 -9.722 -8.639 1.00 41.40 H new ATOM 0 HB3 ASN A 40 -1.798 -9.032 -9.552 1.00 41.40 H new ATOM 0 HD21 ASN A 40 1.558 -9.435 -11.499 1.00 22.22 H new ATOM 0 HD22 ASN A 40 0.816 -10.478 -10.280 1.00 22.22 H new ATOM 595 N GLU A 41 -1.568 -7.641 -5.843 1.00 5.22 N ATOM 596 CA GLU A 41 -2.456 -7.904 -4.703 1.00 50.21 C ATOM 597 C GLU A 41 -2.988 -6.589 -4.095 1.00 71.13 C ATOM 598 O GLU A 41 -2.255 -5.604 -3.986 1.00 64.14 O ATOM 599 CB GLU A 41 -1.699 -8.740 -3.655 1.00 12.43 C ATOM 600 CG GLU A 41 -2.521 -9.098 -2.421 1.00 72.31 C ATOM 601 CD GLU A 41 -1.869 -10.179 -1.564 1.00 54.11 C ATOM 602 OE1 GLU A 41 -0.805 -9.920 -0.966 1.00 42.35 O ATOM 603 OE2 GLU A 41 -2.421 -11.304 -1.490 1.00 70.32 O ATOM 0 H GLU A 41 -0.675 -7.221 -5.586 1.00 5.22 H new ATOM 0 HA GLU A 41 -3.323 -8.467 -5.047 1.00 50.21 H new ATOM 0 HB2 GLU A 41 -1.351 -9.660 -4.124 1.00 12.43 H new ATOM 0 HB3 GLU A 41 -0.813 -8.189 -3.339 1.00 12.43 H new ATOM 0 HG2 GLU A 41 -2.668 -8.203 -1.817 1.00 72.31 H new ATOM 0 HG3 GLU A 41 -3.508 -9.437 -2.735 1.00 72.31 H new ATOM 610 N SER A 42 -4.274 -6.574 -3.726 1.00 4.24 N ATOM 611 CA SER A 42 -4.919 -5.365 -3.170 1.00 31.13 C ATOM 612 C SER A 42 -4.317 -4.954 -1.821 1.00 74.15 C ATOM 613 O SER A 42 -3.854 -5.800 -1.053 1.00 1.44 O ATOM 614 CB SER A 42 -6.430 -5.580 -3.007 1.00 54.23 C ATOM 615 OG SER A 42 -7.085 -5.693 -4.264 1.00 53.40 O ATOM 0 H SER A 42 -4.893 -7.381 -3.800 1.00 4.24 H new ATOM 0 HA SER A 42 -4.737 -4.560 -3.882 1.00 31.13 H new ATOM 0 HB2 SER A 42 -6.608 -6.482 -2.422 1.00 54.23 H new ATOM 0 HB3 SER A 42 -6.857 -4.748 -2.448 1.00 54.23 H new ATOM 0 HG SER A 42 -7.436 -4.818 -4.530 1.00 53.40 H new ATOM 621 N LEU A 43 -4.364 -3.652 -1.527 1.00 20.24 N ATOM 622 CA LEU A 43 -3.777 -3.096 -0.297 1.00 2.42 C ATOM 623 C LEU A 43 -4.258 -3.830 0.966 1.00 21.23 C ATOM 624 O LEU A 43 -3.455 -4.185 1.828 1.00 35.51 O ATOM 625 CB LEU A 43 -4.095 -1.597 -0.186 1.00 20.22 C ATOM 626 CG LEU A 43 -3.501 -0.718 -1.301 1.00 25.04 C ATOM 627 CD1 LEU A 43 -3.885 0.745 -1.108 1.00 44.10 C ATOM 628 CD2 LEU A 43 -1.982 -0.867 -1.363 1.00 52.04 C ATOM 0 H LEU A 43 -4.805 -2.955 -2.127 1.00 20.24 H new ATOM 0 HA LEU A 43 -2.698 -3.238 -0.365 1.00 2.42 H new ATOM 0 HB2 LEU A 43 -5.178 -1.471 -0.183 1.00 20.22 H new ATOM 0 HB3 LEU A 43 -3.729 -1.234 0.775 1.00 20.22 H new ATOM 0 HG LEU A 43 -3.918 -1.058 -2.249 1.00 25.04 H new ATOM 0 HD11 LEU A 43 -3.452 1.344 -1.910 1.00 44.10 H new ATOM 0 HD12 LEU A 43 -4.970 0.842 -1.128 1.00 44.10 H new ATOM 0 HD13 LEU A 43 -3.507 1.097 -0.148 1.00 44.10 H new ATOM 0 HD21 LEU A 43 -1.587 -0.236 -2.159 1.00 52.04 H new ATOM 0 HD22 LEU A 43 -1.548 -0.564 -0.410 1.00 52.04 H new ATOM 0 HD23 LEU A 43 -1.726 -1.907 -1.564 1.00 52.04 H new ATOM 640 N GLU A 44 -5.569 -4.062 1.077 1.00 45.31 N ATOM 641 CA GLU A 44 -6.120 -4.766 2.246 1.00 41.51 C ATOM 642 C GLU A 44 -5.597 -6.207 2.332 1.00 40.21 C ATOM 643 O GLU A 44 -5.239 -6.683 3.410 1.00 31.53 O ATOM 644 CB GLU A 44 -7.656 -4.773 2.226 1.00 52.03 C ATOM 645 CG GLU A 44 -8.266 -5.464 3.447 1.00 51.43 C ATOM 646 CD GLU A 44 -9.788 -5.440 3.464 1.00 51.53 C ATOM 647 OE1 GLU A 44 -10.408 -6.290 2.793 1.00 35.24 O ATOM 648 OE2 GLU A 44 -10.368 -4.583 4.168 1.00 13.14 O ATOM 0 H GLU A 44 -6.262 -3.779 0.385 1.00 45.31 H new ATOM 0 HA GLU A 44 -5.785 -4.220 3.128 1.00 41.51 H new ATOM 0 HB2 GLU A 44 -8.018 -3.746 2.178 1.00 52.03 H new ATOM 0 HB3 GLU A 44 -8.000 -5.275 1.322 1.00 52.03 H new ATOM 0 HG2 GLU A 44 -7.927 -6.500 3.475 1.00 51.43 H new ATOM 0 HG3 GLU A 44 -7.893 -4.982 4.351 1.00 51.43 H new ATOM 655 N GLN A 45 -5.553 -6.894 1.192 1.00 55.21 N ATOM 656 CA GLN A 45 -5.052 -8.272 1.139 1.00 3.14 C ATOM 657 C GLN A 45 -3.607 -8.355 1.666 1.00 62.34 C ATOM 658 O GLN A 45 -3.315 -9.109 2.597 1.00 71.20 O ATOM 659 CB GLN A 45 -5.122 -8.809 -0.297 1.00 23.35 C ATOM 660 CG GLN A 45 -6.536 -8.964 -0.849 1.00 32.51 C ATOM 661 CD GLN A 45 -6.553 -9.531 -2.264 1.00 53.33 C ATOM 662 OE1 GLN A 45 -5.668 -10.288 -2.656 1.00 60.12 O ATOM 663 NE2 GLN A 45 -7.559 -9.177 -3.038 1.00 62.40 N ATOM 0 H GLN A 45 -5.857 -6.522 0.292 1.00 55.21 H new ATOM 0 HA GLN A 45 -5.685 -8.887 1.779 1.00 3.14 H new ATOM 0 HB2 GLN A 45 -4.563 -8.138 -0.949 1.00 23.35 H new ATOM 0 HB3 GLN A 45 -4.624 -9.778 -0.333 1.00 23.35 H new ATOM 0 HG2 GLN A 45 -7.109 -9.619 -0.192 1.00 32.51 H new ATOM 0 HG3 GLN A 45 -7.033 -7.994 -0.844 1.00 32.51 H new ATOM 0 HE21 GLN A 45 -8.278 -8.547 -2.683 1.00 62.40 H new ATOM 0 HE22 GLN A 45 -7.618 -9.533 -3.992 1.00 62.40 H new ATOM 672 N GLY A 46 -2.714 -7.563 1.072 1.00 72.40 N ATOM 673 CA GLY A 46 -1.324 -7.520 1.521 1.00 1.10 C ATOM 674 C GLY A 46 -1.177 -7.044 2.966 1.00 4.34 C ATOM 675 O GLY A 46 -0.319 -7.535 3.709 1.00 10.30 O ATOM 0 H GLY A 46 -2.926 -6.948 0.286 1.00 72.40 H new ATOM 0 HA2 GLY A 46 -0.886 -8.514 1.425 1.00 1.10 H new ATOM 0 HA3 GLY A 46 -0.757 -6.858 0.867 1.00 1.10 H new ATOM 679 N ALA A 47 -2.012 -6.085 3.368 1.00 32.12 N ATOM 680 CA ALA A 47 -2.019 -5.586 4.748 1.00 4.30 C ATOM 681 C ALA A 47 -2.277 -6.722 5.746 1.00 44.43 C ATOM 682 O ALA A 47 -1.448 -6.996 6.615 1.00 45.12 O ATOM 683 CB ALA A 47 -3.063 -4.485 4.912 1.00 24.34 C ATOM 0 H ALA A 47 -2.695 -5.636 2.757 1.00 32.12 H new ATOM 0 HA ALA A 47 -1.035 -5.169 4.960 1.00 4.30 H new ATOM 0 HB1 ALA A 47 -3.055 -4.126 5.941 1.00 24.34 H new ATOM 0 HB2 ALA A 47 -2.831 -3.660 4.238 1.00 24.34 H new ATOM 0 HB3 ALA A 47 -4.050 -4.881 4.674 1.00 24.34 H new ATOM 689 N ASN A 48 -3.419 -7.403 5.605 1.00 43.31 N ATOM 690 CA ASN A 48 -3.749 -8.545 6.472 1.00 51.34 C ATOM 691 C ASN A 48 -2.700 -9.661 6.346 1.00 21.01 C ATOM 692 O ASN A 48 -2.378 -10.333 7.324 1.00 1.51 O ATOM 693 CB ASN A 48 -5.148 -9.095 6.162 1.00 72.50 C ATOM 694 CG ASN A 48 -6.253 -8.130 6.559 1.00 60.45 C ATOM 695 OD1 ASN A 48 -6.695 -8.110 7.703 1.00 4.11 O ATOM 696 ND2 ASN A 48 -6.719 -7.332 5.622 1.00 33.33 N ATOM 0 H ASN A 48 -4.128 -7.187 4.904 1.00 43.31 H new ATOM 0 HA ASN A 48 -3.744 -8.182 7.500 1.00 51.34 H new ATOM 0 HB2 ASN A 48 -5.223 -9.309 5.096 1.00 72.50 H new ATOM 0 HB3 ASN A 48 -5.288 -10.039 6.688 1.00 72.50 H new ATOM 0 HD21 ASN A 48 -7.468 -6.674 5.838 1.00 33.33 H new ATOM 0 HD22 ASN A 48 -6.331 -7.371 4.679 1.00 33.33 H new ATOM 703 N ALA A 49 -2.155 -9.844 5.142 1.00 43.42 N ATOM 704 CA ALA A 49 -1.069 -10.811 4.921 1.00 34.20 C ATOM 705 C ALA A 49 0.153 -10.493 5.804 1.00 53.23 C ATOM 706 O ALA A 49 0.856 -11.394 6.260 1.00 24.42 O ATOM 707 CB ALA A 49 -0.669 -10.832 3.448 1.00 40.34 C ATOM 0 H ALA A 49 -2.444 -9.339 4.305 1.00 43.42 H new ATOM 0 HA ALA A 49 -1.437 -11.798 5.202 1.00 34.20 H new ATOM 0 HB1 ALA A 49 0.136 -11.552 3.300 1.00 40.34 H new ATOM 0 HB2 ALA A 49 -1.528 -11.118 2.842 1.00 40.34 H new ATOM 0 HB3 ALA A 49 -0.328 -9.841 3.149 1.00 40.34 H new ATOM 713 N HIS A 50 0.404 -9.201 6.033 1.00 25.30 N ATOM 714 CA HIS A 50 1.487 -8.758 6.929 1.00 74.23 C ATOM 715 C HIS A 50 0.959 -8.449 8.345 1.00 21.35 C ATOM 716 O HIS A 50 1.719 -8.066 9.236 1.00 13.31 O ATOM 717 CB HIS A 50 2.188 -7.519 6.349 1.00 11.32 C ATOM 718 CG HIS A 50 2.990 -7.794 5.111 1.00 43.41 C ATOM 719 ND1 HIS A 50 4.277 -7.338 4.935 1.00 42.23 N ATOM 720 CD2 HIS A 50 2.678 -8.469 3.979 1.00 54.33 C ATOM 721 CE1 HIS A 50 4.722 -7.717 3.756 1.00 1.34 C ATOM 722 NE2 HIS A 50 3.775 -8.407 3.153 1.00 62.32 N ATOM 0 H HIS A 50 -0.127 -8.439 5.611 1.00 25.30 H new ATOM 0 HA HIS A 50 2.205 -9.574 7.007 1.00 74.23 H new ATOM 0 HB2 HIS A 50 1.437 -6.762 6.122 1.00 11.32 H new ATOM 0 HB3 HIS A 50 2.846 -7.097 7.109 1.00 11.32 H new ATOM 0 HD2 HIS A 50 1.742 -8.964 3.765 1.00 54.33 H new ATOM 0 HE1 HIS A 50 5.699 -7.499 3.351 1.00 1.34 H new ATOM 0 HE2 HIS A 50 3.845 -8.826 2.226 1.00 62.32 H new ATOM 731 N GLY A 51 -0.347 -8.625 8.541 1.00 42.11 N ATOM 732 CA GLY A 51 -0.970 -8.361 9.835 1.00 53.32 C ATOM 733 C GLY A 51 -0.988 -6.880 10.210 1.00 51.12 C ATOM 734 O GLY A 51 -0.677 -6.516 11.346 1.00 23.43 O ATOM 0 H GLY A 51 -0.992 -8.949 7.821 1.00 42.11 H new ATOM 0 HA2 GLY A 51 -1.993 -8.737 9.821 1.00 53.32 H new ATOM 0 HA3 GLY A 51 -0.437 -8.917 10.606 1.00 53.32 H new ATOM 738 N LEU A 52 -1.360 -6.026 9.258 1.00 2.14 N ATOM 739 CA LEU A 52 -1.384 -4.573 9.469 1.00 72.51 C ATOM 740 C LEU A 52 -2.758 -3.973 9.130 1.00 42.41 C ATOM 741 O LEU A 52 -3.464 -4.466 8.248 1.00 5.42 O ATOM 742 CB LEU A 52 -0.303 -3.907 8.606 1.00 71.35 C ATOM 743 CG LEU A 52 1.137 -4.363 8.889 1.00 33.11 C ATOM 744 CD1 LEU A 52 2.103 -3.736 7.892 1.00 3.04 C ATOM 745 CD2 LEU A 52 1.541 -4.018 10.320 1.00 73.32 C ATOM 0 H LEU A 52 -1.652 -6.315 8.324 1.00 2.14 H new ATOM 0 HA LEU A 52 -1.186 -4.385 10.524 1.00 72.51 H new ATOM 0 HB2 LEU A 52 -0.528 -4.101 7.557 1.00 71.35 H new ATOM 0 HB3 LEU A 52 -0.360 -2.828 8.750 1.00 71.35 H new ATOM 0 HG LEU A 52 1.181 -5.446 8.774 1.00 33.11 H new ATOM 0 HD11 LEU A 52 3.117 -4.071 8.109 1.00 3.04 H new ATOM 0 HD12 LEU A 52 1.829 -4.038 6.881 1.00 3.04 H new ATOM 0 HD13 LEU A 52 2.054 -2.650 7.972 1.00 3.04 H new ATOM 0 HD21 LEU A 52 2.564 -4.350 10.499 1.00 73.32 H new ATOM 0 HD22 LEU A 52 1.478 -2.940 10.466 1.00 73.32 H new ATOM 0 HD23 LEU A 52 0.870 -4.518 11.018 1.00 73.32 H new ATOM 757 N ASN A 53 -3.128 -2.905 9.837 1.00 4.25 N ATOM 758 CA ASN A 53 -4.393 -2.202 9.590 1.00 70.10 C ATOM 759 C ASN A 53 -4.351 -1.435 8.256 1.00 72.35 C ATOM 760 O ASN A 53 -3.660 -0.422 8.132 1.00 24.30 O ATOM 761 CB ASN A 53 -4.688 -1.224 10.739 1.00 21.55 C ATOM 762 CG ASN A 53 -6.058 -0.570 10.629 1.00 11.03 C ATOM 763 OD1 ASN A 53 -6.629 -0.465 9.550 1.00 61.35 O ATOM 764 ND2 ASN A 53 -6.585 -0.100 11.738 1.00 12.35 N ATOM 0 H ASN A 53 -2.568 -2.504 10.590 1.00 4.25 H new ATOM 0 HA ASN A 53 -5.186 -2.948 9.534 1.00 70.10 H new ATOM 0 HB2 ASN A 53 -4.621 -1.757 11.688 1.00 21.55 H new ATOM 0 HB3 ASN A 53 -3.922 -0.449 10.754 1.00 21.55 H new ATOM 0 HD21 ASN A 53 -7.492 0.366 11.714 1.00 12.35 H new ATOM 0 HD22 ASN A 53 -6.087 -0.202 12.622 1.00 12.35 H new ATOM 771 N VAL A 54 -5.110 -1.915 7.270 1.00 21.24 N ATOM 772 CA VAL A 54 -5.171 -1.274 5.949 1.00 14.51 C ATOM 773 C VAL A 54 -5.638 0.194 6.033 1.00 43.22 C ATOM 774 O VAL A 54 -5.160 1.047 5.287 1.00 12.34 O ATOM 775 CB VAL A 54 -6.099 -2.057 4.984 1.00 41.21 C ATOM 776 CG1 VAL A 54 -7.518 -2.155 5.542 1.00 62.43 C ATOM 777 CG2 VAL A 54 -6.102 -1.418 3.595 1.00 2.40 C ATOM 0 H VAL A 54 -5.693 -2.747 7.358 1.00 21.24 H new ATOM 0 HA VAL A 54 -4.154 -1.286 5.557 1.00 14.51 H new ATOM 0 HB VAL A 54 -5.707 -3.070 4.891 1.00 41.21 H new ATOM 0 HG11 VAL A 54 -8.146 -2.709 4.844 1.00 62.43 H new ATOM 0 HG12 VAL A 54 -7.497 -2.673 6.501 1.00 62.43 H new ATOM 0 HG13 VAL A 54 -7.925 -1.153 5.679 1.00 62.43 H new ATOM 0 HG21 VAL A 54 -6.760 -1.984 2.935 1.00 2.40 H new ATOM 0 HG22 VAL A 54 -6.458 -0.390 3.668 1.00 2.40 H new ATOM 0 HG23 VAL A 54 -5.090 -1.423 3.190 1.00 2.40 H new ATOM 787 N GLU A 55 -6.552 0.484 6.960 1.00 70.33 N ATOM 788 CA GLU A 55 -7.118 1.831 7.101 1.00 15.31 C ATOM 789 C GLU A 55 -6.053 2.864 7.495 1.00 2.05 C ATOM 790 O GLU A 55 -5.979 3.944 6.906 1.00 54.34 O ATOM 791 CB GLU A 55 -8.253 1.823 8.131 1.00 22.23 C ATOM 792 CG GLU A 55 -9.497 1.081 7.656 1.00 54.12 C ATOM 793 CD GLU A 55 -10.608 1.075 8.692 1.00 53.02 C ATOM 794 OE1 GLU A 55 -11.168 2.152 8.975 1.00 74.12 O ATOM 795 OE2 GLU A 55 -10.914 -0.002 9.240 1.00 54.42 O ATOM 0 H GLU A 55 -6.918 -0.196 7.627 1.00 70.33 H new ATOM 0 HA GLU A 55 -7.514 2.123 6.128 1.00 15.31 H new ATOM 0 HB2 GLU A 55 -7.894 1.363 9.052 1.00 22.23 H new ATOM 0 HB3 GLU A 55 -8.522 2.851 8.372 1.00 22.23 H new ATOM 0 HG2 GLU A 55 -9.863 1.544 6.739 1.00 54.12 H new ATOM 0 HG3 GLU A 55 -9.230 0.053 7.410 1.00 54.12 H new ATOM 802 N ASP A 56 -5.223 2.527 8.482 1.00 32.25 N ATOM 803 CA ASP A 56 -4.148 3.425 8.912 1.00 40.45 C ATOM 804 C ASP A 56 -3.123 3.625 7.780 1.00 23.20 C ATOM 805 O ASP A 56 -2.559 4.708 7.622 1.00 3.24 O ATOM 806 CB ASP A 56 -3.468 2.886 10.175 1.00 24.25 C ATOM 807 CG ASP A 56 -2.500 3.896 10.768 1.00 51.52 C ATOM 808 OD1 ASP A 56 -2.962 4.895 11.360 1.00 1.24 O ATOM 809 OD2 ASP A 56 -1.274 3.722 10.623 1.00 31.33 O ATOM 0 H ASP A 56 -5.272 1.647 8.996 1.00 32.25 H new ATOM 0 HA ASP A 56 -4.585 4.395 9.149 1.00 40.45 H new ATOM 0 HB2 ASP A 56 -4.226 2.631 10.915 1.00 24.25 H new ATOM 0 HB3 ASP A 56 -2.933 1.967 9.936 1.00 24.25 H new ATOM 814 N ILE A 57 -2.904 2.576 6.985 1.00 54.25 N ATOM 815 CA ILE A 57 -2.056 2.677 5.792 1.00 23.51 C ATOM 816 C ILE A 57 -2.659 3.668 4.782 1.00 14.11 C ATOM 817 O ILE A 57 -1.969 4.549 4.262 1.00 62.54 O ATOM 818 CB ILE A 57 -1.881 1.298 5.102 1.00 32.34 C ATOM 819 CG1 ILE A 57 -1.322 0.264 6.094 1.00 31.32 C ATOM 820 CG2 ILE A 57 -0.974 1.412 3.872 1.00 64.12 C ATOM 821 CD1 ILE A 57 -1.208 -1.134 5.520 1.00 52.31 C ATOM 0 H ILE A 57 -3.300 1.649 7.143 1.00 54.25 H new ATOM 0 HA ILE A 57 -1.080 3.034 6.120 1.00 23.51 H new ATOM 0 HB ILE A 57 -2.862 0.960 4.768 1.00 32.34 H new ATOM 0 HG12 ILE A 57 -0.338 0.591 6.429 1.00 31.32 H new ATOM 0 HG13 ILE A 57 -1.964 0.234 6.974 1.00 31.32 H new ATOM 0 HG21 ILE A 57 -0.867 0.432 3.407 1.00 64.12 H new ATOM 0 HG22 ILE A 57 -1.415 2.107 3.158 1.00 64.12 H new ATOM 0 HG23 ILE A 57 0.007 1.778 4.176 1.00 64.12 H new ATOM 0 HD11 ILE A 57 -0.807 -1.807 6.278 1.00 52.31 H new ATOM 0 HD12 ILE A 57 -2.194 -1.482 5.211 1.00 52.31 H new ATOM 0 HD13 ILE A 57 -0.542 -1.120 4.658 1.00 52.31 H new ATOM 833 N LEU A 58 -3.962 3.524 4.526 1.00 32.15 N ATOM 834 CA LEU A 58 -4.689 4.429 3.624 1.00 3.51 C ATOM 835 C LEU A 58 -4.588 5.889 4.090 1.00 63.41 C ATOM 836 O LEU A 58 -4.581 6.807 3.272 1.00 74.22 O ATOM 837 CB LEU A 58 -6.166 4.018 3.517 1.00 21.22 C ATOM 838 CG LEU A 58 -6.428 2.633 2.900 1.00 64.11 C ATOM 839 CD1 LEU A 58 -7.925 2.332 2.870 1.00 73.53 C ATOM 840 CD2 LEU A 58 -5.830 2.544 1.498 1.00 20.41 C ATOM 0 H LEU A 58 -4.539 2.787 4.931 1.00 32.15 H new ATOM 0 HA LEU A 58 -4.224 4.351 2.641 1.00 3.51 H new ATOM 0 HB2 LEU A 58 -6.604 4.040 4.515 1.00 21.22 H new ATOM 0 HB3 LEU A 58 -6.690 4.766 2.922 1.00 21.22 H new ATOM 0 HG LEU A 58 -5.942 1.883 3.524 1.00 64.11 H new ATOM 0 HD11 LEU A 58 -8.090 1.348 2.430 1.00 73.53 H new ATOM 0 HD12 LEU A 58 -8.319 2.346 3.886 1.00 73.53 H new ATOM 0 HD13 LEU A 58 -8.436 3.087 2.272 1.00 73.53 H new ATOM 0 HD21 LEU A 58 -6.027 1.557 1.080 1.00 20.41 H new ATOM 0 HD22 LEU A 58 -6.282 3.304 0.861 1.00 20.41 H new ATOM 0 HD23 LEU A 58 -4.754 2.708 1.550 1.00 20.41 H new ATOM 852 N ARG A 59 -4.516 6.097 5.403 1.00 1.32 N ATOM 853 CA ARG A 59 -4.320 7.440 5.961 1.00 60.30 C ATOM 854 C ARG A 59 -3.047 8.097 5.399 1.00 5.14 C ATOM 855 O ARG A 59 -3.096 9.194 4.837 1.00 21.04 O ATOM 856 CB ARG A 59 -4.239 7.371 7.493 1.00 13.41 C ATOM 857 CG ARG A 59 -3.852 8.694 8.151 1.00 21.11 C ATOM 858 CD ARG A 59 -3.688 8.556 9.660 1.00 72.41 C ATOM 859 NE ARG A 59 -2.782 7.466 10.024 1.00 14.12 N ATOM 860 CZ ARG A 59 -1.477 7.554 10.024 1.00 13.44 C ATOM 861 NH1 ARG A 59 -0.883 8.635 9.630 1.00 0.04 N ATOM 862 NH2 ARG A 59 -0.768 6.548 10.408 1.00 43.41 N ATOM 0 H ARG A 59 -4.590 5.357 6.101 1.00 1.32 H new ATOM 0 HA ARG A 59 -5.175 8.051 5.672 1.00 60.30 H new ATOM 0 HB2 ARG A 59 -5.204 7.050 7.884 1.00 13.41 H new ATOM 0 HB3 ARG A 59 -3.512 6.610 7.775 1.00 13.41 H new ATOM 0 HG2 ARG A 59 -2.920 9.056 7.717 1.00 21.11 H new ATOM 0 HG3 ARG A 59 -4.615 9.442 7.936 1.00 21.11 H new ATOM 0 HD2 ARG A 59 -3.309 9.492 10.069 1.00 72.41 H new ATOM 0 HD3 ARG A 59 -4.663 8.382 10.115 1.00 72.41 H new ATOM 0 HE ARG A 59 -3.197 6.575 10.297 1.00 14.12 H new ATOM 0 HH11 ARG A 59 -1.434 9.433 9.314 1.00 0.04 H new ATOM 0 HH12 ARG A 59 0.136 8.688 9.636 1.00 0.04 H new ATOM 0 HH21 ARG A 59 -1.225 5.688 10.710 1.00 43.41 H new ATOM 0 HH22 ARG A 59 0.250 6.612 10.410 1.00 43.41 H new ATOM 876 N ASP A 60 -1.911 7.414 5.541 1.00 2.24 N ATOM 877 CA ASP A 60 -0.629 7.939 5.059 1.00 23.22 C ATOM 878 C ASP A 60 -0.631 8.068 3.521 1.00 33.45 C ATOM 879 O ASP A 60 -0.150 9.058 2.963 1.00 21.23 O ATOM 880 CB ASP A 60 0.516 7.024 5.525 1.00 44.13 C ATOM 881 CG ASP A 60 1.855 7.748 5.595 1.00 42.42 C ATOM 882 OD1 ASP A 60 2.412 8.092 4.536 1.00 70.21 O ATOM 883 OD2 ASP A 60 2.350 7.987 6.719 1.00 24.42 O ATOM 0 H ASP A 60 -1.850 6.498 5.985 1.00 2.24 H new ATOM 0 HA ASP A 60 -0.479 8.935 5.477 1.00 23.22 H new ATOM 0 HB2 ASP A 60 0.275 6.619 6.508 1.00 44.13 H new ATOM 0 HB3 ASP A 60 0.600 6.178 4.843 1.00 44.13 H new ATOM 888 N LEU A 61 -1.200 7.069 2.845 1.00 73.33 N ATOM 889 CA LEU A 61 -1.298 7.075 1.380 1.00 30.23 C ATOM 890 C LEU A 61 -2.106 8.279 0.861 1.00 53.11 C ATOM 891 O LEU A 61 -1.642 9.019 -0.009 1.00 52.43 O ATOM 892 CB LEU A 61 -1.932 5.769 0.886 1.00 54.31 C ATOM 893 CG LEU A 61 -1.131 4.491 1.187 1.00 53.34 C ATOM 894 CD1 LEU A 61 -1.850 3.263 0.637 1.00 31.51 C ATOM 895 CD2 LEU A 61 0.282 4.588 0.617 1.00 1.41 C ATOM 0 H LEU A 61 -1.602 6.242 3.288 1.00 73.33 H new ATOM 0 HA LEU A 61 -0.285 7.161 0.986 1.00 30.23 H new ATOM 0 HB2 LEU A 61 -2.920 5.672 1.335 1.00 54.31 H new ATOM 0 HB3 LEU A 61 -2.078 5.841 -0.192 1.00 54.31 H new ATOM 0 HG LEU A 61 -1.053 4.387 2.269 1.00 53.34 H new ATOM 0 HD11 LEU A 61 -1.267 2.370 0.860 1.00 31.51 H new ATOM 0 HD12 LEU A 61 -2.833 3.180 1.100 1.00 31.51 H new ATOM 0 HD13 LEU A 61 -1.964 3.361 -0.443 1.00 31.51 H new ATOM 0 HD21 LEU A 61 0.829 3.673 0.843 1.00 1.41 H new ATOM 0 HD22 LEU A 61 0.230 4.723 -0.463 1.00 1.41 H new ATOM 0 HD23 LEU A 61 0.797 5.438 1.064 1.00 1.41 H new ATOM 907 N ASN A 62 -3.311 8.481 1.398 1.00 4.35 N ATOM 908 CA ASN A 62 -4.146 9.622 0.997 1.00 40.22 C ATOM 909 C ASN A 62 -3.512 10.954 1.433 1.00 74.25 C ATOM 910 O ASN A 62 -3.756 11.997 0.820 1.00 73.11 O ATOM 911 CB ASN A 62 -5.574 9.497 1.554 1.00 33.35 C ATOM 912 CG ASN A 62 -6.409 8.471 0.799 1.00 65.35 C ATOM 913 OD1 ASN A 62 -7.016 8.778 -0.222 1.00 22.31 O ATOM 914 ND2 ASN A 62 -6.457 7.251 1.295 1.00 4.12 N ATOM 0 H ASN A 62 -3.730 7.877 2.105 1.00 4.35 H new ATOM 0 HA ASN A 62 -4.207 9.612 -0.091 1.00 40.22 H new ATOM 0 HB2 ASN A 62 -5.526 9.218 2.607 1.00 33.35 H new ATOM 0 HB3 ASN A 62 -6.066 10.468 1.504 1.00 33.35 H new ATOM 0 HD21 ASN A 62 -7.010 6.532 0.828 1.00 4.12 H new ATOM 0 HD22 ASN A 62 -5.941 7.026 2.146 1.00 4.12 H new ATOM 921 N ALA A 63 -2.694 10.914 2.485 1.00 63.02 N ATOM 922 CA ALA A 63 -1.934 12.094 2.918 1.00 15.35 C ATOM 923 C ALA A 63 -0.960 12.554 1.820 1.00 35.33 C ATOM 924 O ALA A 63 -0.660 13.741 1.703 1.00 2.21 O ATOM 925 CB ALA A 63 -1.181 11.800 4.213 1.00 13.22 C ATOM 0 H ALA A 63 -2.539 10.082 3.054 1.00 63.02 H new ATOM 0 HA ALA A 63 -2.641 12.903 3.104 1.00 15.35 H new ATOM 0 HB1 ALA A 63 -0.624 12.685 4.519 1.00 13.22 H new ATOM 0 HB2 ALA A 63 -1.892 11.531 4.994 1.00 13.22 H new ATOM 0 HB3 ALA A 63 -0.489 10.973 4.052 1.00 13.22 H new ATOM 931 N LEU A 64 -0.478 11.605 1.016 1.00 61.21 N ATOM 932 CA LEU A 64 0.377 11.917 -0.138 1.00 73.52 C ATOM 933 C LEU A 64 -0.414 12.648 -1.235 1.00 72.44 C ATOM 934 O LEU A 64 0.155 13.364 -2.059 1.00 15.21 O ATOM 935 CB LEU A 64 0.980 10.632 -0.722 1.00 55.23 C ATOM 936 CG LEU A 64 1.854 9.805 0.235 1.00 24.34 C ATOM 937 CD1 LEU A 64 2.332 8.529 -0.456 1.00 4.42 C ATOM 938 CD2 LEU A 64 3.041 10.631 0.739 1.00 72.01 C ATOM 0 H LEU A 64 -0.664 10.610 1.141 1.00 61.21 H new ATOM 0 HA LEU A 64 1.177 12.569 0.213 1.00 73.52 H new ATOM 0 HB2 LEU A 64 0.166 10.000 -1.077 1.00 55.23 H new ATOM 0 HB3 LEU A 64 1.580 10.898 -1.592 1.00 55.23 H new ATOM 0 HG LEU A 64 1.252 9.524 1.099 1.00 24.34 H new ATOM 0 HD11 LEU A 64 2.950 7.952 0.232 1.00 4.42 H new ATOM 0 HD12 LEU A 64 1.470 7.933 -0.756 1.00 4.42 H new ATOM 0 HD13 LEU A 64 2.917 8.790 -1.338 1.00 4.42 H new ATOM 0 HD21 LEU A 64 3.645 10.025 1.414 1.00 72.01 H new ATOM 0 HD22 LEU A 64 3.650 10.947 -0.108 1.00 72.01 H new ATOM 0 HD23 LEU A 64 2.674 11.509 1.270 1.00 72.01 H new ATOM 950 N ALA A 65 -1.728 12.437 -1.257 1.00 61.12 N ATOM 951 CA ALA A 65 -2.608 13.110 -2.216 1.00 50.23 C ATOM 952 C ALA A 65 -2.961 14.527 -1.743 1.00 44.30 C ATOM 953 O ALA A 65 -2.863 15.493 -2.504 1.00 13.34 O ATOM 954 CB ALA A 65 -3.874 12.286 -2.437 1.00 21.12 C ATOM 0 H ALA A 65 -2.211 11.803 -0.620 1.00 61.12 H new ATOM 0 HA ALA A 65 -2.077 13.198 -3.164 1.00 50.23 H new ATOM 0 HB1 ALA A 65 -4.520 12.796 -3.151 1.00 21.12 H new ATOM 0 HB2 ALA A 65 -3.606 11.304 -2.827 1.00 21.12 H new ATOM 0 HB3 ALA A 65 -4.401 12.168 -1.490 1.00 21.12 H new ATOM 960 N LEU A 66 -3.366 14.638 -0.479 1.00 22.52 N ATOM 961 CA LEU A 66 -3.715 15.931 0.119 1.00 52.34 C ATOM 962 C LEU A 66 -2.473 16.808 0.335 1.00 24.03 C ATOM 963 O LEU A 66 -2.382 17.908 -0.208 1.00 23.51 O ATOM 964 CB LEU A 66 -4.437 15.715 1.458 1.00 72.12 C ATOM 965 CG LEU A 66 -5.813 15.034 1.363 1.00 10.22 C ATOM 966 CD1 LEU A 66 -6.369 14.745 2.755 1.00 44.44 C ATOM 967 CD2 LEU A 66 -6.785 15.900 0.563 1.00 14.13 C ATOM 0 H LEU A 66 -3.462 13.845 0.156 1.00 22.52 H new ATOM 0 HA LEU A 66 -4.377 16.449 -0.575 1.00 52.34 H new ATOM 0 HB2 LEU A 66 -3.797 15.114 2.104 1.00 72.12 H new ATOM 0 HB3 LEU A 66 -4.562 16.682 1.944 1.00 72.12 H new ATOM 0 HG LEU A 66 -5.690 14.084 0.842 1.00 10.22 H new ATOM 0 HD11 LEU A 66 -7.343 14.263 2.665 1.00 44.44 H new ATOM 0 HD12 LEU A 66 -5.686 14.085 3.290 1.00 44.44 H new ATOM 0 HD13 LEU A 66 -6.476 15.680 3.305 1.00 44.44 H new ATOM 0 HD21 LEU A 66 -7.753 15.403 0.506 1.00 14.13 H new ATOM 0 HD22 LEU A 66 -6.902 16.866 1.055 1.00 14.13 H new ATOM 0 HD23 LEU A 66 -6.395 16.050 -0.444 1.00 14.13 H new ATOM 979 N GLU A 67 -1.527 16.298 1.124 1.00 74.23 N ATOM 980 CA GLU A 67 -0.301 17.025 1.490 1.00 43.14 C ATOM 981 C GLU A 67 -0.604 18.288 2.320 1.00 43.30 C ATOM 982 O GLU A 67 -0.236 18.366 3.496 1.00 25.03 O ATOM 983 CB GLU A 67 0.532 17.363 0.242 1.00 42.14 C ATOM 984 CG GLU A 67 0.954 16.127 -0.551 1.00 70.53 C ATOM 985 CD GLU A 67 1.902 16.446 -1.695 1.00 30.43 C ATOM 986 OE1 GLU A 67 1.433 16.928 -2.751 1.00 32.02 O ATOM 987 OE2 GLU A 67 3.121 16.212 -1.546 1.00 4.21 O ATOM 0 H GLU A 67 -1.586 15.365 1.532 1.00 74.23 H new ATOM 0 HA GLU A 67 0.291 16.364 2.123 1.00 43.14 H new ATOM 0 HB2 GLU A 67 -0.046 18.023 -0.405 1.00 42.14 H new ATOM 0 HB3 GLU A 67 1.422 17.914 0.545 1.00 42.14 H new ATOM 0 HG2 GLU A 67 1.434 15.417 0.123 1.00 70.53 H new ATOM 0 HG3 GLU A 67 0.065 15.638 -0.950 1.00 70.53 H new ATOM 994 N HIS A 68 -1.268 19.276 1.714 1.00 31.03 N ATOM 995 CA HIS A 68 -1.692 20.480 2.441 1.00 14.23 C ATOM 996 C HIS A 68 -2.583 20.120 3.645 1.00 63.42 C ATOM 997 O HIS A 68 -3.655 19.536 3.490 1.00 50.20 O ATOM 998 CB HIS A 68 -2.427 21.459 1.506 1.00 60.15 C ATOM 999 CG HIS A 68 -3.616 20.875 0.798 1.00 73.34 C ATOM 1000 ND1 HIS A 68 -4.820 20.620 1.420 1.00 4.35 N ATOM 1001 CD2 HIS A 68 -3.784 20.503 -0.494 1.00 42.42 C ATOM 1002 CE1 HIS A 68 -5.669 20.120 0.547 1.00 3.42 C ATOM 1003 NE2 HIS A 68 -5.068 20.039 -0.618 1.00 42.52 N ATOM 0 H HIS A 68 -1.524 19.268 0.727 1.00 31.03 H new ATOM 0 HA HIS A 68 -0.793 20.970 2.816 1.00 14.23 H new ATOM 0 HB2 HIS A 68 -2.755 22.320 2.088 1.00 60.15 H new ATOM 0 HB3 HIS A 68 -1.722 21.828 0.761 1.00 60.15 H new ATOM 0 HD1 HIS A 68 -5.022 20.792 2.405 1.00 4.35 H new ATOM 0 HD2 HIS A 68 -3.045 20.561 -1.279 1.00 42.42 H new ATOM 0 HE1 HIS A 68 -6.687 19.826 0.754 1.00 3.42 H new ATOM 1012 N HIS A 69 -2.136 20.488 4.842 1.00 62.23 N ATOM 1013 CA HIS A 69 -2.851 20.153 6.080 1.00 32.11 C ATOM 1014 C HIS A 69 -4.100 21.031 6.264 1.00 10.20 C ATOM 1015 O HIS A 69 -5.037 20.663 6.977 1.00 24.34 O ATOM 1016 CB HIS A 69 -1.906 20.287 7.279 1.00 63.11 C ATOM 1017 CG HIS A 69 -0.725 19.363 7.205 1.00 42.34 C ATOM 1018 ND1 HIS A 69 -0.544 18.293 8.055 1.00 31.33 N ATOM 1019 CD2 HIS A 69 0.337 19.346 6.362 1.00 40.33 C ATOM 1020 CE1 HIS A 69 0.570 17.662 7.739 1.00 41.44 C ATOM 1021 NE2 HIS A 69 1.123 18.279 6.717 1.00 51.23 N ATOM 0 H HIS A 69 -1.278 21.021 4.986 1.00 62.23 H new ATOM 0 HA HIS A 69 -3.191 19.120 6.011 1.00 32.11 H new ATOM 0 HB2 HIS A 69 -1.551 21.316 7.341 1.00 63.11 H new ATOM 0 HB3 HIS A 69 -2.461 20.085 8.195 1.00 63.11 H new ATOM 0 HD2 HIS A 69 0.529 20.043 5.560 1.00 40.33 H new ATOM 0 HE1 HIS A 69 0.962 16.787 8.235 1.00 41.44 H new ATOM 0 HE2 HIS A 69 1.995 18.008 6.262 1.00 51.23 H new ATOM 1030 N HIS A 70 -4.104 22.195 5.621 1.00 14.41 N ATOM 1031 CA HIS A 70 -5.292 23.046 5.583 1.00 61.15 C ATOM 1032 C HIS A 70 -6.330 22.473 4.605 1.00 62.22 C ATOM 1033 O HIS A 70 -5.993 22.066 3.490 1.00 64.43 O ATOM 1034 CB HIS A 70 -4.915 24.480 5.188 1.00 43.05 C ATOM 1035 CG HIS A 70 -4.117 25.193 6.238 1.00 42.04 C ATOM 1036 ND1 HIS A 70 -2.833 25.659 6.036 1.00 74.33 N ATOM 1037 CD2 HIS A 70 -4.434 25.531 7.510 1.00 71.14 C ATOM 1038 CE1 HIS A 70 -2.401 26.245 7.133 1.00 52.31 C ATOM 1039 NE2 HIS A 70 -3.350 26.184 8.041 1.00 30.41 N ATOM 0 H HIS A 70 -3.300 22.571 5.119 1.00 14.41 H new ATOM 0 HA HIS A 70 -5.732 23.069 6.580 1.00 61.15 H new ATOM 0 HB2 HIS A 70 -4.343 24.456 4.261 1.00 43.05 H new ATOM 0 HB3 HIS A 70 -5.825 25.045 4.986 1.00 43.05 H new ATOM 0 HD2 HIS A 70 -5.367 25.325 8.014 1.00 71.14 H new ATOM 0 HE1 HIS A 70 -1.430 26.699 7.265 1.00 52.31 H new ATOM 0 HE2 HIS A 70 -3.290 26.561 8.987 1.00 30.41 H new ATOM 1048 N HIS A 71 -7.590 22.439 5.027 1.00 34.53 N ATOM 1049 CA HIS A 71 -8.657 21.831 4.229 1.00 41.53 C ATOM 1050 C HIS A 71 -9.969 22.622 4.350 1.00 15.43 C ATOM 1051 O HIS A 71 -10.304 23.123 5.422 1.00 23.42 O ATOM 1052 CB HIS A 71 -8.871 20.372 4.664 1.00 34.20 C ATOM 1053 CG HIS A 71 -9.146 20.210 6.133 1.00 12.15 C ATOM 1054 ND1 HIS A 71 -8.171 19.881 7.050 1.00 11.43 N ATOM 1055 CD2 HIS A 71 -10.296 20.328 6.844 1.00 3.34 C ATOM 1056 CE1 HIS A 71 -8.704 19.804 8.252 1.00 55.34 C ATOM 1057 NE2 HIS A 71 -9.991 20.072 8.157 1.00 24.42 N ATOM 0 H HIS A 71 -7.901 22.825 5.918 1.00 34.53 H new ATOM 0 HA HIS A 71 -8.352 21.853 3.183 1.00 41.53 H new ATOM 0 HB2 HIS A 71 -9.704 19.953 4.100 1.00 34.20 H new ATOM 0 HB3 HIS A 71 -7.986 19.792 4.404 1.00 34.20 H new ATOM 0 HD1 HIS A 71 -7.188 19.722 6.831 1.00 11.43 H new ATOM 0 HD2 HIS A 71 -11.270 20.577 6.450 1.00 3.34 H new ATOM 0 HE1 HIS A 71 -8.175 19.562 9.162 1.00 55.34 H new ATOM 1066 N HIS A 72 -10.711 22.719 3.249 1.00 13.50 N ATOM 1067 CA HIS A 72 -11.978 23.458 3.227 1.00 14.11 C ATOM 1068 C HIS A 72 -13.157 22.584 3.699 1.00 11.03 C ATOM 1069 O HIS A 72 -14.195 23.102 4.124 1.00 34.12 O ATOM 1070 CB HIS A 72 -12.236 24.006 1.820 1.00 14.24 C ATOM 1071 CG HIS A 72 -11.203 24.996 1.372 1.00 63.13 C ATOM 1072 ND1 HIS A 72 -11.321 26.354 1.579 1.00 70.22 N ATOM 1073 CD2 HIS A 72 -10.020 24.823 0.730 1.00 22.11 C ATOM 1074 CE1 HIS A 72 -10.263 26.969 1.087 1.00 40.32 C ATOM 1075 NE2 HIS A 72 -9.461 26.064 0.570 1.00 13.41 N ATOM 0 H HIS A 72 -10.458 22.295 2.356 1.00 13.50 H new ATOM 0 HA HIS A 72 -11.897 24.291 3.925 1.00 14.11 H new ATOM 0 HB2 HIS A 72 -12.265 23.176 1.114 1.00 14.24 H new ATOM 0 HB3 HIS A 72 -13.218 24.479 1.796 1.00 14.24 H new ATOM 0 HD2 HIS A 72 -9.598 23.883 0.406 1.00 22.11 H new ATOM 0 HE1 HIS A 72 -10.086 28.034 1.106 1.00 40.32 H new ATOM 0 HE2 HIS A 72 -8.565 26.255 0.121 1.00 13.41 H new ATOM 1084 N HIS A 73 -12.999 21.261 3.617 1.00 21.40 N ATOM 1085 CA HIS A 73 -13.999 20.317 4.152 1.00 52.13 C ATOM 1086 C HIS A 73 -13.471 19.608 5.418 1.00 53.34 C ATOM 1087 O HIS A 73 -13.812 20.049 6.540 1.00 38.29 O ATOM 1088 CB HIS A 73 -14.396 19.282 3.087 1.00 73.53 C ATOM 1089 CG HIS A 73 -15.098 19.873 1.895 1.00 53.43 C ATOM 1090 ND1 HIS A 73 -15.092 19.287 0.646 1.00 34.13 N ATOM 1091 CD2 HIS A 73 -15.847 20.997 1.770 1.00 42.14 C ATOM 1092 CE1 HIS A 73 -15.798 20.021 -0.189 1.00 30.40 C ATOM 1093 NE2 HIS A 73 -16.267 21.061 0.466 1.00 45.02 N ATOM 1094 OXT HIS A 73 -12.704 18.628 5.287 1.00 38.29 O ATOM 0 H HIS A 73 -12.190 20.813 3.186 1.00 21.40 H new ATOM 0 HA HIS A 73 -14.885 20.890 4.426 1.00 52.13 H new ATOM 0 HB2 HIS A 73 -13.500 18.762 2.748 1.00 73.53 H new ATOM 0 HB3 HIS A 73 -15.044 18.535 3.545 1.00 73.53 H new ATOM 0 HD2 HIS A 73 -16.071 21.708 2.551 1.00 42.14 H new ATOM 0 HE1 HIS A 73 -15.964 19.806 -1.234 1.00 30.40 H new ATOM 0 HE2 HIS A 73 -16.850 21.797 0.068 1.00 45.02 H new TER 1103 HIS A 73