USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 527 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 ASN : amide:sc= -2.5! C(o=-6.6!,f=-13!) USER MOD Set 1.2: A 47 HIS : no HD1:sc= -3.49! C(o=-6.6!,f=-6.5!) USER MOD Set 1.3: A 69 HIS : no HE2:sc= -0.57! C(o=-6.6!,f=-16!) USER MOD Set 2.1: A 20 HIS : no HE2:sc= -0.419 K(o=0.34,f=-2.2!) USER MOD Set 2.2: A 55 HIS : no HE2:sc= 0.754 K(o=0.34,f=-4!) USER MOD Set 3.1: A 17 HIS : no HE2:sc= -1.32! C(o=-5!,f=-8.6!) USER MOD Set 3.2: A 21 GLN : amide:sc= -3.56! C(o=-5!,f=-6.5!) USER MOD Set 3.3: A 31 HIS : no HD1:sc= -0.162 X(o=-5,f=-5) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0.00805 USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0229) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 156:sc= -0.0753 (180deg=-0.415) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 160:sc= -0.114 (180deg=-0.731) USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 180:sc= 0.133 USER MOD Single : A 68 CYS SG : rot 180:sc= -0.0119 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 2 4.010 11.240 4.764 1.00 0.00 N ATOM 12 CA ASP A 2 3.373 9.942 4.904 1.00 0.00 C ATOM 13 C ASP A 2 2.301 9.786 3.824 1.00 0.00 C ATOM 14 O ASP A 2 2.122 8.701 3.273 1.00 0.00 O ATOM 15 CB ASP A 2 2.694 9.805 6.268 1.00 0.00 C ATOM 16 CG ASP A 2 3.067 10.883 7.287 1.00 0.00 C ATOM 17 OD1 ASP A 2 4.092 10.783 7.977 1.00 0.00 O ATOM 18 OD2 ASP A 2 2.243 11.874 7.359 1.00 0.00 O ATOM 0 HA ASP A 2 4.143 9.177 4.807 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.614 9.822 6.123 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.944 8.830 6.685 1.00 0.00 H new ATOM 24 N ASP A 3 1.615 10.887 3.553 1.00 0.00 N ATOM 25 CA ASP A 3 0.565 10.886 2.548 1.00 0.00 C ATOM 26 C ASP A 3 1.194 10.765 1.159 1.00 0.00 C ATOM 27 O ASP A 3 1.939 11.646 0.732 1.00 0.00 O ATOM 28 CB ASP A 3 -0.239 12.187 2.592 1.00 0.00 C ATOM 29 CG ASP A 3 -0.131 12.971 3.901 1.00 0.00 C ATOM 30 OD1 ASP A 3 0.935 13.508 4.237 1.00 0.00 O ATOM 31 OD2 ASP A 3 -1.215 13.020 4.598 1.00 0.00 O ATOM 0 H ASP A 3 1.766 11.785 4.012 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.098 10.045 2.753 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.091 12.828 1.774 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.288 11.954 2.411 1.00 0.00 H new ATOM 37 N ILE A 4 0.872 9.667 0.492 1.00 0.00 N ATOM 38 CA ILE A 4 1.396 9.419 -0.840 1.00 0.00 C ATOM 39 C ILE A 4 0.242 9.065 -1.780 1.00 0.00 C ATOM 40 O ILE A 4 -0.553 8.175 -1.485 1.00 0.00 O ATOM 41 CB ILE A 4 2.498 8.359 -0.794 1.00 0.00 C ATOM 42 CG1 ILE A 4 3.638 8.793 0.130 1.00 0.00 C ATOM 43 CG2 ILE A 4 2.997 8.024 -2.201 1.00 0.00 C ATOM 44 CD1 ILE A 4 4.847 7.868 -0.019 1.00 0.00 C ATOM 0 H ILE A 4 0.254 8.938 0.849 1.00 0.00 H new ATOM 0 HA ILE A 4 1.867 10.318 -1.237 1.00 0.00 H new ATOM 0 HB ILE A 4 2.075 7.445 -0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.929 9.818 -0.102 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.295 8.785 1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.780 7.268 -2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.170 7.642 -2.799 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.397 8.923 -2.669 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.643 8.199 0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.559 6.848 0.237 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.202 7.897 -1.049 1.00 0.00 H new ATOM 56 N VAL A 5 0.187 9.781 -2.894 1.00 0.00 N ATOM 57 CA VAL A 5 -0.857 9.554 -3.879 1.00 0.00 C ATOM 58 C VAL A 5 -0.300 8.696 -5.017 1.00 0.00 C ATOM 59 O VAL A 5 0.669 9.080 -5.671 1.00 0.00 O ATOM 60 CB VAL A 5 -1.422 10.892 -4.360 1.00 0.00 C ATOM 61 CG1 VAL A 5 -2.462 10.683 -5.463 1.00 0.00 C ATOM 62 CG2 VAL A 5 -2.011 11.689 -3.194 1.00 0.00 C ATOM 0 H VAL A 5 0.849 10.519 -3.136 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.688 9.006 -3.436 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.600 11.472 -4.780 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.848 11.650 -5.787 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.998 10.175 -6.309 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.282 10.075 -5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.406 12.636 -3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.815 11.116 -2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.233 11.883 -2.456 1.00 0.00 H new ATOM 72 N LEU A 6 -0.936 7.552 -5.218 1.00 0.00 N ATOM 73 CA LEU A 6 -0.516 6.637 -6.266 1.00 0.00 C ATOM 74 C LEU A 6 -1.429 6.806 -7.482 1.00 0.00 C ATOM 75 O LEU A 6 -2.545 6.288 -7.501 1.00 0.00 O ATOM 76 CB LEU A 6 -0.459 5.203 -5.734 1.00 0.00 C ATOM 77 CG LEU A 6 0.501 4.958 -4.568 1.00 0.00 C ATOM 78 CD1 LEU A 6 0.159 3.655 -3.842 1.00 0.00 C ATOM 79 CD2 LEU A 6 1.956 4.986 -5.041 1.00 0.00 C ATOM 0 H LEU A 6 -1.739 7.237 -4.673 1.00 0.00 H new ATOM 0 HA LEU A 6 0.497 6.872 -6.593 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.462 4.913 -5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.178 4.543 -6.555 1.00 0.00 H new ATOM 0 HG LEU A 6 0.381 5.769 -3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.856 3.504 -3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.857 3.712 -3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.234 2.820 -4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.618 4.809 -4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.110 4.209 -5.790 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.178 5.960 -5.478 1.00 0.00 H new ATOM 91 N LYS A 7 -0.923 7.534 -8.466 1.00 0.00 N ATOM 92 CA LYS A 7 -1.679 7.779 -9.682 1.00 0.00 C ATOM 93 C LYS A 7 -2.116 6.441 -10.283 1.00 0.00 C ATOM 94 O LYS A 7 -1.323 5.504 -10.362 1.00 0.00 O ATOM 95 CB LYS A 7 -0.876 8.653 -10.646 1.00 0.00 C ATOM 96 CG LYS A 7 -0.689 10.063 -10.082 1.00 0.00 C ATOM 97 CD LYS A 7 0.777 10.494 -10.157 1.00 0.00 C ATOM 98 CE LYS A 7 1.593 9.859 -9.030 1.00 0.00 C ATOM 99 NZ LYS A 7 2.678 10.768 -8.599 1.00 0.00 N ATOM 0 H LYS A 7 0.002 7.963 -8.446 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.586 8.341 -9.460 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.098 8.199 -10.829 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.388 8.707 -11.607 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.307 10.766 -10.640 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.028 10.092 -9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.196 10.206 -11.121 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.844 11.580 -10.092 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.943 9.633 -8.185 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.016 8.913 -9.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.222 10.321 -7.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.308 10.962 -9.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.268 11.660 -8.257 1.00 0.00 H new ATOM 112 N ALA A 8 -3.375 6.395 -10.692 1.00 0.00 N ATOM 113 CA ALA A 8 -3.927 5.188 -11.283 1.00 0.00 C ATOM 114 C ALA A 8 -4.895 5.571 -12.405 1.00 0.00 C ATOM 115 O ALA A 8 -5.579 6.590 -12.318 1.00 0.00 O ATOM 116 CB ALA A 8 -4.598 4.347 -10.196 1.00 0.00 C ATOM 0 H ALA A 8 -4.029 7.175 -10.626 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.136 4.580 -11.723 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.012 3.442 -10.640 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.862 4.076 -9.439 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.399 4.923 -9.733 1.00 0.00 H new ATOM 122 N LYS A 9 -4.921 4.735 -13.432 1.00 0.00 N ATOM 123 CA LYS A 9 -5.794 4.973 -14.569 1.00 0.00 C ATOM 124 C LYS A 9 -7.203 4.477 -14.237 1.00 0.00 C ATOM 125 O LYS A 9 -8.078 4.459 -15.102 1.00 0.00 O ATOM 126 CB LYS A 9 -5.205 4.350 -15.836 1.00 0.00 C ATOM 127 CG LYS A 9 -5.322 2.824 -15.802 1.00 0.00 C ATOM 128 CD LYS A 9 -6.116 2.308 -17.004 1.00 0.00 C ATOM 129 CE LYS A 9 -5.190 2.006 -18.184 1.00 0.00 C ATOM 130 NZ LYS A 9 -4.881 0.560 -18.243 1.00 0.00 N ATOM 0 H LYS A 9 -4.351 3.892 -13.501 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.872 6.041 -14.773 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.724 4.739 -16.712 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.158 4.636 -15.933 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.327 2.379 -15.801 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.811 2.514 -14.878 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.661 1.406 -16.725 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.858 3.050 -17.300 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.662 2.321 -19.114 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.267 2.577 -18.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.252 0.372 -19.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.411 0.269 -17.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.763 0.021 -18.359 1.00 0.00 H new ATOM 143 N ASN A 10 -7.379 4.087 -12.983 1.00 0.00 N ATOM 144 CA ASN A 10 -8.667 3.592 -12.527 1.00 0.00 C ATOM 145 C ASN A 10 -8.966 4.165 -11.141 1.00 0.00 C ATOM 146 O ASN A 10 -9.619 3.516 -10.325 1.00 0.00 O ATOM 147 CB ASN A 10 -8.664 2.066 -12.418 1.00 0.00 C ATOM 148 CG ASN A 10 -7.888 1.607 -11.181 1.00 0.00 C ATOM 149 OD1 ASN A 10 -6.790 2.059 -10.902 1.00 0.00 O ATOM 150 ND2 ASN A 10 -8.518 0.686 -10.459 1.00 0.00 N ATOM 0 H ASN A 10 -6.651 4.104 -12.269 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.422 3.900 -13.250 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.689 1.699 -12.366 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.217 1.635 -13.313 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -8.083 0.315 -9.614 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.436 0.351 -10.749 1.00 0.00 H new ATOM 157 N GLY A 11 -8.474 5.375 -10.916 1.00 0.00 N ATOM 158 CA GLY A 11 -8.681 6.043 -9.642 1.00 0.00 C ATOM 159 C GLY A 11 -7.414 5.993 -8.786 1.00 0.00 C ATOM 160 O GLY A 11 -6.898 4.915 -8.496 1.00 0.00 O ATOM 0 H GLY A 11 -7.932 5.910 -11.595 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.968 7.080 -9.813 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.504 5.569 -9.108 1.00 0.00 H new ATOM 164 N ASP A 12 -6.950 7.174 -8.404 1.00 0.00 N ATOM 165 CA ASP A 12 -5.753 7.279 -7.586 1.00 0.00 C ATOM 166 C ASP A 12 -5.982 6.551 -6.260 1.00 0.00 C ATOM 167 O ASP A 12 -7.123 6.364 -5.839 1.00 0.00 O ATOM 168 CB ASP A 12 -5.426 8.740 -7.274 1.00 0.00 C ATOM 169 CG ASP A 12 -6.416 9.440 -6.341 1.00 0.00 C ATOM 170 OD1 ASP A 12 -6.509 9.113 -5.148 1.00 0.00 O ATOM 171 OD2 ASP A 12 -7.121 10.369 -6.892 1.00 0.00 O ATOM 0 H ASP A 12 -7.381 8.066 -8.646 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.926 6.835 -8.140 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.433 8.787 -6.826 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.379 9.294 -8.211 1.00 0.00 H new ATOM 177 N VAL A 13 -4.880 6.162 -5.637 1.00 0.00 N ATOM 178 CA VAL A 13 -4.946 5.460 -4.367 1.00 0.00 C ATOM 179 C VAL A 13 -4.241 6.290 -3.293 1.00 0.00 C ATOM 180 O VAL A 13 -3.067 6.628 -3.435 1.00 0.00 O ATOM 181 CB VAL A 13 -4.361 4.054 -4.515 1.00 0.00 C ATOM 182 CG1 VAL A 13 -4.444 3.283 -3.196 1.00 0.00 C ATOM 183 CG2 VAL A 13 -5.054 3.287 -5.643 1.00 0.00 C ATOM 0 H VAL A 13 -3.935 6.320 -5.988 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.982 5.335 -4.053 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.308 4.156 -4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.021 2.287 -3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.883 3.815 -2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.487 3.197 -2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.619 2.291 -5.727 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.118 3.201 -5.424 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.919 3.822 -6.583 1.00 0.00 H new ATOM 193 N LYS A 14 -4.988 6.595 -2.241 1.00 0.00 N ATOM 194 CA LYS A 14 -4.449 7.380 -1.143 1.00 0.00 C ATOM 195 C LYS A 14 -3.836 6.440 -0.103 1.00 0.00 C ATOM 196 O LYS A 14 -4.556 5.787 0.650 1.00 0.00 O ATOM 197 CB LYS A 14 -5.521 8.311 -0.574 1.00 0.00 C ATOM 198 CG LYS A 14 -4.894 9.403 0.296 1.00 0.00 C ATOM 199 CD LYS A 14 -4.491 8.849 1.664 1.00 0.00 C ATOM 200 CE LYS A 14 -5.261 9.549 2.786 1.00 0.00 C ATOM 201 NZ LYS A 14 -5.903 8.554 3.674 1.00 0.00 N ATOM 0 H LYS A 14 -5.961 6.313 -2.126 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.649 8.031 -1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.081 8.768 -1.390 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.232 7.734 0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.019 9.815 -0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.602 10.222 0.425 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.685 7.777 1.698 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.420 8.984 1.814 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.583 10.177 3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.018 10.207 2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.421 9.046 4.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.565 7.972 3.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.174 7.943 4.095 1.00 0.00 H new ATOM 214 N PHE A 15 -2.511 6.401 -0.096 1.00 0.00 N ATOM 215 CA PHE A 15 -1.793 5.552 0.839 1.00 0.00 C ATOM 216 C PHE A 15 -1.156 6.383 1.956 1.00 0.00 C ATOM 217 O PHE A 15 -0.377 7.304 1.720 1.00 0.00 O ATOM 218 CB PHE A 15 -0.688 4.851 0.048 1.00 0.00 C ATOM 219 CG PHE A 15 0.207 3.945 0.897 1.00 0.00 C ATOM 220 CD1 PHE A 15 -0.346 2.963 1.658 1.00 0.00 C ATOM 221 CD2 PHE A 15 1.556 4.123 0.891 1.00 0.00 C ATOM 222 CE1 PHE A 15 0.484 2.123 2.446 1.00 0.00 C ATOM 223 CE2 PHE A 15 2.386 3.283 1.679 1.00 0.00 C ATOM 224 CZ PHE A 15 1.833 2.300 2.440 1.00 0.00 C ATOM 0 H PHE A 15 -1.917 6.944 -0.723 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.479 4.840 1.298 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.144 4.256 -0.743 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.068 5.605 -0.437 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.417 2.822 1.663 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.995 4.903 0.287 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.044 1.343 3.050 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.457 3.424 1.674 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.465 1.661 3.039 1.00 0.00 H new ATOM 234 N PRO A 16 -1.510 6.030 3.193 1.00 0.00 N ATOM 235 CA PRO A 16 -1.029 6.676 4.395 1.00 0.00 C ATOM 236 C PRO A 16 0.278 6.030 4.833 1.00 0.00 C ATOM 237 O PRO A 16 0.236 5.025 5.541 1.00 0.00 O ATOM 238 CB PRO A 16 -2.127 6.445 5.431 1.00 0.00 C ATOM 239 CG PRO A 16 -2.661 5.059 5.010 1.00 0.00 C ATOM 240 CD PRO A 16 -2.424 4.952 3.506 1.00 0.00 C ATOM 0 HA PRO A 16 -0.829 7.738 4.254 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.737 6.442 6.449 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.900 7.213 5.388 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.142 4.263 5.544 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.721 4.962 5.245 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.998 3.984 3.241 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.357 5.052 2.951 1.00 0.00 H new ATOM 248 N HIS A 17 1.395 6.606 4.413 1.00 0.00 N ATOM 249 CA HIS A 17 2.696 6.067 4.773 1.00 0.00 C ATOM 250 C HIS A 17 3.052 6.496 6.198 1.00 0.00 C ATOM 251 O HIS A 17 4.141 7.013 6.441 1.00 0.00 O ATOM 252 CB HIS A 17 3.756 6.477 3.749 1.00 0.00 C ATOM 253 CG HIS A 17 5.111 5.854 3.985 1.00 0.00 C ATOM 254 ND1 HIS A 17 5.983 6.305 4.962 1.00 0.00 N ATOM 255 CD2 HIS A 17 5.735 4.813 3.363 1.00 0.00 C ATOM 256 CE1 HIS A 17 7.078 5.561 4.919 1.00 0.00 C ATOM 257 NE2 HIS A 17 6.923 4.637 3.928 1.00 0.00 N ATOM 0 H HIS A 17 1.426 7.440 3.827 1.00 0.00 H new ATOM 0 HA HIS A 17 2.660 4.978 4.756 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.410 6.202 2.753 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.859 7.562 3.762 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.811 7.078 5.605 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.331 4.230 2.548 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.943 5.668 5.557 1.00 0.00 H new ATOM 265 N LYS A 18 2.112 6.266 7.103 1.00 0.00 N ATOM 266 CA LYS A 18 2.313 6.621 8.498 1.00 0.00 C ATOM 267 C LYS A 18 1.717 5.530 9.389 1.00 0.00 C ATOM 268 O LYS A 18 2.448 4.811 10.069 1.00 0.00 O ATOM 269 CB LYS A 18 1.755 8.018 8.780 1.00 0.00 C ATOM 270 CG LYS A 18 1.226 8.118 10.212 1.00 0.00 C ATOM 271 CD LYS A 18 1.372 9.542 10.752 1.00 0.00 C ATOM 272 CE LYS A 18 1.445 9.544 12.280 1.00 0.00 C ATOM 273 NZ LYS A 18 2.217 10.711 12.761 1.00 0.00 N ATOM 0 H LYS A 18 1.209 5.838 6.898 1.00 0.00 H new ATOM 0 HA LYS A 18 3.377 6.674 8.728 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.535 8.763 8.624 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.954 8.242 8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.178 7.821 10.238 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.769 7.424 10.854 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.271 10.000 10.341 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.527 10.148 10.424 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.439 9.569 12.698 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.912 8.623 12.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.257 10.697 13.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.183 10.671 12.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.755 11.587 12.444 1.00 0.00 H new ATOM 286 N ALA A 19 0.396 5.439 9.356 1.00 0.00 N ATOM 287 CA ALA A 19 -0.306 4.448 10.153 1.00 0.00 C ATOM 288 C ALA A 19 0.261 3.060 9.848 1.00 0.00 C ATOM 289 O ALA A 19 0.132 2.141 10.655 1.00 0.00 O ATOM 290 CB ALA A 19 -1.808 4.538 9.873 1.00 0.00 C ATOM 0 H ALA A 19 -0.207 6.036 8.790 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.160 4.638 11.216 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.335 3.794 10.471 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.168 5.534 10.133 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.993 4.350 8.815 1.00 0.00 H new ATOM 296 N HIS A 20 0.878 2.952 8.680 1.00 0.00 N ATOM 297 CA HIS A 20 1.466 1.692 8.258 1.00 0.00 C ATOM 298 C HIS A 20 2.821 1.503 8.943 1.00 0.00 C ATOM 299 O HIS A 20 3.510 0.513 8.702 1.00 0.00 O ATOM 300 CB HIS A 20 1.558 1.619 6.733 1.00 0.00 C ATOM 301 CG HIS A 20 0.257 1.258 6.056 1.00 0.00 C ATOM 302 ND1 HIS A 20 -0.682 2.204 5.685 1.00 0.00 N ATOM 303 CD2 HIS A 20 -0.250 0.047 5.687 1.00 0.00 C ATOM 304 CE1 HIS A 20 -1.705 1.579 5.120 1.00 0.00 C ATOM 305 NE2 HIS A 20 -1.435 0.242 5.122 1.00 0.00 N ATOM 0 H HIS A 20 0.983 3.716 8.013 1.00 0.00 H new ATOM 0 HA HIS A 20 0.824 0.866 8.565 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.898 2.582 6.353 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.314 0.883 6.460 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -0.601 3.211 5.823 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.231 -0.909 5.830 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.596 2.046 4.727 1.00 0.00 H new ATOM 313 N GLN A 21 3.162 2.468 9.785 1.00 0.00 N ATOM 314 CA GLN A 21 4.422 2.420 10.507 1.00 0.00 C ATOM 315 C GLN A 21 4.213 1.830 11.903 1.00 0.00 C ATOM 316 O GLN A 21 4.884 0.872 12.283 1.00 0.00 O ATOM 317 CB GLN A 21 5.060 3.808 10.588 1.00 0.00 C ATOM 318 CG GLN A 21 5.504 4.290 9.206 1.00 0.00 C ATOM 319 CD GLN A 21 5.579 5.818 9.155 1.00 0.00 C ATOM 320 OE1 GLN A 21 5.127 6.517 10.047 1.00 0.00 O ATOM 321 NE2 GLN A 21 6.173 6.294 8.065 1.00 0.00 N ATOM 0 H GLN A 21 2.588 3.287 9.983 1.00 0.00 H new ATOM 0 HA GLN A 21 5.107 1.772 9.960 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.347 4.515 11.012 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.918 3.779 11.260 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.479 3.866 8.965 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.805 3.931 8.450 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.529 5.652 7.357 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.273 7.301 7.937 1.00 0.00 H new ATOM 330 N LYS A 22 3.278 2.427 12.628 1.00 0.00 N ATOM 331 CA LYS A 22 2.972 1.972 13.974 1.00 0.00 C ATOM 332 C LYS A 22 2.356 0.573 13.907 1.00 0.00 C ATOM 333 O LYS A 22 2.457 -0.199 14.859 1.00 0.00 O ATOM 334 CB LYS A 22 2.095 2.996 14.698 1.00 0.00 C ATOM 335 CG LYS A 22 2.903 4.239 15.078 1.00 0.00 C ATOM 336 CD LYS A 22 3.335 4.184 16.545 1.00 0.00 C ATOM 337 CE LYS A 22 2.990 5.488 17.267 1.00 0.00 C ATOM 338 NZ LYS A 22 4.179 6.024 17.966 1.00 0.00 N ATOM 0 H LYS A 22 2.723 3.221 12.309 1.00 0.00 H new ATOM 0 HA LYS A 22 3.884 1.891 14.566 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.260 3.282 14.058 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.670 2.546 15.595 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.783 4.315 14.439 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.305 5.133 14.905 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.843 3.348 17.042 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.408 4.004 16.605 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.621 6.221 16.550 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.188 5.312 17.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.927 6.909 18.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.513 5.330 18.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.933 6.210 17.275 1.00 0.00 H new ATOM 351 N ALA A 23 1.733 0.289 12.773 1.00 0.00 N ATOM 352 CA ALA A 23 1.101 -1.003 12.570 1.00 0.00 C ATOM 353 C ALA A 23 2.158 -2.019 12.132 1.00 0.00 C ATOM 354 O ALA A 23 2.035 -3.210 12.416 1.00 0.00 O ATOM 355 CB ALA A 23 -0.031 -0.864 11.550 1.00 0.00 C ATOM 0 H ALA A 23 1.652 0.932 11.985 1.00 0.00 H new ATOM 0 HA ALA A 23 0.660 -1.364 13.499 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.505 -1.834 11.398 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.770 -0.153 11.921 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.374 -0.506 10.604 1.00 0.00 H new ATOM 361 N VAL A 24 3.173 -1.512 11.448 1.00 0.00 N ATOM 362 CA VAL A 24 4.251 -2.361 10.969 1.00 0.00 C ATOM 363 C VAL A 24 5.590 -1.658 11.203 1.00 0.00 C ATOM 364 O VAL A 24 6.333 -1.345 10.275 1.00 0.00 O ATOM 365 CB VAL A 24 4.016 -2.727 9.502 1.00 0.00 C ATOM 366 CG1 VAL A 24 5.129 -3.637 8.979 1.00 0.00 C ATOM 367 CG2 VAL A 24 2.643 -3.376 9.313 1.00 0.00 C ATOM 0 H VAL A 24 3.272 -0.524 11.214 1.00 0.00 H new ATOM 0 HA VAL A 24 4.275 -3.299 11.524 1.00 0.00 H new ATOM 0 HB VAL A 24 4.035 -1.806 8.919 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.938 -3.882 7.934 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.087 -3.124 9.062 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.156 -4.554 9.568 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.501 -3.627 8.262 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.584 -4.284 9.914 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.865 -2.681 9.629 1.00 0.00 H new ATOM 377 N PRO A 25 5.884 -1.415 12.482 1.00 0.00 N ATOM 378 CA PRO A 25 7.095 -0.763 12.931 1.00 0.00 C ATOM 379 C PRO A 25 8.274 -1.247 12.098 1.00 0.00 C ATOM 380 O PRO A 25 9.239 -0.501 11.945 1.00 0.00 O ATOM 381 CB PRO A 25 7.248 -1.184 14.392 1.00 0.00 C ATOM 382 CG PRO A 25 5.796 -1.308 14.837 1.00 0.00 C ATOM 383 CD PRO A 25 5.033 -1.769 13.597 1.00 0.00 C ATOM 0 HA PRO A 25 7.056 0.321 12.829 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.787 -2.126 14.491 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.792 -0.442 14.976 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.694 -2.026 15.651 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.414 -0.355 15.202 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.845 -2.842 13.625 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.063 -1.277 13.525 1.00 0.00 H new ATOM 391 N ASP A 26 8.179 -2.466 11.586 1.00 0.00 N ATOM 392 CA ASP A 26 9.249 -3.023 10.778 1.00 0.00 C ATOM 393 C ASP A 26 9.142 -2.479 9.352 1.00 0.00 C ATOM 394 O ASP A 26 8.187 -2.782 8.638 1.00 0.00 O ATOM 395 CB ASP A 26 9.151 -4.549 10.710 1.00 0.00 C ATOM 396 CG ASP A 26 10.264 -5.234 9.915 1.00 0.00 C ATOM 397 OD1 ASP A 26 10.074 -5.622 8.753 1.00 0.00 O ATOM 398 OD2 ASP A 26 11.382 -5.366 10.545 1.00 0.00 O ATOM 0 H ASP A 26 7.377 -3.083 11.716 1.00 0.00 H new ATOM 0 HA ASP A 26 10.198 -2.742 11.235 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.155 -4.944 11.726 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.191 -4.817 10.268 1.00 0.00 H new ATOM 404 N CYS A 27 10.135 -1.685 8.979 1.00 0.00 N ATOM 405 CA CYS A 27 10.164 -1.095 7.652 1.00 0.00 C ATOM 406 C CYS A 27 10.745 -2.126 6.681 1.00 0.00 C ATOM 407 O CYS A 27 10.637 -1.969 5.466 1.00 0.00 O ATOM 408 CB CYS A 27 10.953 0.216 7.632 1.00 0.00 C ATOM 409 SG CYS A 27 10.786 1.235 9.143 1.00 0.00 S ATOM 0 H CYS A 27 10.926 -1.437 9.573 1.00 0.00 H new ATOM 0 HA CYS A 27 9.151 -0.837 7.344 1.00 0.00 H new ATOM 0 HB2 CYS A 27 12.008 -0.013 7.480 1.00 0.00 H new ATOM 0 HB3 CYS A 27 10.628 0.806 6.775 1.00 0.00 H new ATOM 0 HG CYS A 27 11.496 2.317 9.017 1.00 0.00 H new ATOM 414 N LYS A 28 11.349 -3.157 7.254 1.00 0.00 N ATOM 415 CA LYS A 28 11.947 -4.213 6.455 1.00 0.00 C ATOM 416 C LYS A 28 10.845 -5.136 5.932 1.00 0.00 C ATOM 417 O LYS A 28 11.117 -6.062 5.169 1.00 0.00 O ATOM 418 CB LYS A 28 13.031 -4.939 7.253 1.00 0.00 C ATOM 419 CG LYS A 28 14.226 -4.021 7.516 1.00 0.00 C ATOM 420 CD LYS A 28 15.546 -4.771 7.326 1.00 0.00 C ATOM 421 CE LYS A 28 16.299 -4.902 8.652 1.00 0.00 C ATOM 422 NZ LYS A 28 16.835 -3.589 9.075 1.00 0.00 N ATOM 0 H LYS A 28 11.437 -3.283 8.262 1.00 0.00 H new ATOM 0 HA LYS A 28 12.452 -3.794 5.585 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.619 -5.286 8.201 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.360 -5.822 6.706 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.189 -3.167 6.840 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.170 -3.627 8.531 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.350 -5.762 6.916 1.00 0.00 H new ATOM 0 HD3 LYS A 28 16.167 -4.244 6.602 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.631 -5.293 9.419 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.115 -5.617 8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.468 -3.719 9.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 17.365 -3.161 8.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.049 -2.963 9.344 1.00 0.00 H new ATOM 435 N LYS A 29 9.625 -4.852 6.362 1.00 0.00 N ATOM 436 CA LYS A 29 8.481 -5.646 5.946 1.00 0.00 C ATOM 437 C LYS A 29 8.228 -5.426 4.454 1.00 0.00 C ATOM 438 O LYS A 29 8.082 -6.385 3.697 1.00 0.00 O ATOM 439 CB LYS A 29 7.268 -5.340 6.827 1.00 0.00 C ATOM 440 CG LYS A 29 7.139 -6.363 7.958 1.00 0.00 C ATOM 441 CD LYS A 29 6.559 -7.681 7.442 1.00 0.00 C ATOM 442 CE LYS A 29 5.225 -7.996 8.121 1.00 0.00 C ATOM 443 NZ LYS A 29 4.211 -8.388 7.116 1.00 0.00 N ATOM 0 H LYS A 29 9.403 -4.083 6.994 1.00 0.00 H new ATOM 0 HA LYS A 29 8.685 -6.708 6.082 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.362 -4.339 7.247 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.362 -5.347 6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.117 -6.542 8.404 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.498 -5.963 8.744 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.417 -7.622 6.363 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.265 -8.490 7.627 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.359 -8.801 8.844 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.878 -7.124 8.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.312 -8.598 7.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.071 -7.608 6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.537 -9.233 6.605 1.00 0.00 H new ATOM 456 N CYS A 30 8.184 -4.157 4.074 1.00 0.00 N ATOM 457 CA CYS A 30 7.951 -3.799 2.686 1.00 0.00 C ATOM 458 C CYS A 30 9.301 -3.479 2.039 1.00 0.00 C ATOM 459 O CYS A 30 9.650 -4.050 1.008 1.00 0.00 O ATOM 460 CB CYS A 30 6.968 -2.634 2.559 1.00 0.00 C ATOM 461 SG CYS A 30 5.563 -2.872 3.708 1.00 0.00 S ATOM 0 H CYS A 30 8.306 -3.364 4.704 1.00 0.00 H new ATOM 0 HA CYS A 30 7.488 -4.637 2.165 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.474 -1.694 2.780 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.603 -2.566 1.534 1.00 0.00 H new ATOM 0 HG CYS A 30 4.735 -1.876 3.594 1.00 0.00 H new ATOM 466 N HIS A 31 10.023 -2.567 2.674 1.00 0.00 N ATOM 467 CA HIS A 31 11.326 -2.164 2.173 1.00 0.00 C ATOM 468 C HIS A 31 12.323 -3.311 2.355 1.00 0.00 C ATOM 469 O HIS A 31 12.731 -3.612 3.476 1.00 0.00 O ATOM 470 CB HIS A 31 11.788 -0.867 2.841 1.00 0.00 C ATOM 471 CG HIS A 31 10.882 0.313 2.581 1.00 0.00 C ATOM 472 ND1 HIS A 31 10.688 0.846 1.319 1.00 0.00 N ATOM 473 CD2 HIS A 31 10.119 1.055 3.434 1.00 0.00 C ATOM 474 CE1 HIS A 31 9.846 1.864 1.420 1.00 0.00 C ATOM 475 NE2 HIS A 31 9.494 1.992 2.731 1.00 0.00 N ATOM 0 H HIS A 31 9.731 -2.096 3.530 1.00 0.00 H new ATOM 0 HA HIS A 31 11.259 -1.952 1.106 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.857 -1.029 3.917 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.791 -0.626 2.489 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.037 0.906 4.500 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.499 2.484 0.606 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.856 2.692 3.109 1.00 0.00 H new ATOM 483 N GLU A 32 12.684 -3.921 1.236 1.00 0.00 N ATOM 484 CA GLU A 32 13.625 -5.028 1.257 1.00 0.00 C ATOM 485 C GLU A 32 15.060 -4.509 1.149 1.00 0.00 C ATOM 486 O GLU A 32 15.898 -4.806 1.999 1.00 0.00 O ATOM 487 CB GLU A 32 13.318 -6.030 0.142 1.00 0.00 C ATOM 488 CG GLU A 32 12.400 -7.146 0.644 1.00 0.00 C ATOM 489 CD GLU A 32 13.202 -8.238 1.355 1.00 0.00 C ATOM 490 OE1 GLU A 32 13.981 -7.938 2.272 1.00 0.00 O ATOM 491 OE2 GLU A 32 12.993 -9.436 0.924 1.00 0.00 O ATOM 0 H GLU A 32 12.342 -3.670 0.309 1.00 0.00 H new ATOM 0 HA GLU A 32 13.520 -5.550 2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.846 -5.515 -0.695 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.248 -6.460 -0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.658 -6.732 1.327 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.855 -7.578 -0.195 1.00 0.00 H new ATOM 499 N LYS A 33 15.299 -3.741 0.095 1.00 0.00 N ATOM 500 CA LYS A 33 16.618 -3.177 -0.135 1.00 0.00 C ATOM 501 C LYS A 33 16.811 -1.956 0.766 1.00 0.00 C ATOM 502 O LYS A 33 17.858 -1.312 0.729 1.00 0.00 O ATOM 503 CB LYS A 33 16.821 -2.881 -1.623 1.00 0.00 C ATOM 504 CG LYS A 33 16.407 -4.078 -2.481 1.00 0.00 C ATOM 505 CD LYS A 33 14.921 -4.008 -2.839 1.00 0.00 C ATOM 506 CE LYS A 33 14.690 -4.394 -4.301 1.00 0.00 C ATOM 507 NZ LYS A 33 14.043 -5.722 -4.390 1.00 0.00 N ATOM 0 H LYS A 33 14.602 -3.497 -0.608 1.00 0.00 H new ATOM 0 HA LYS A 33 17.392 -3.896 0.133 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.236 -2.006 -1.907 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.867 -2.639 -1.810 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.004 -4.100 -3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.612 -5.004 -1.943 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.355 -4.676 -2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.548 -2.999 -2.662 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.065 -3.645 -4.787 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.641 -4.410 -4.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.893 -5.969 -5.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.654 -6.436 -3.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.127 -5.695 -3.899 1.00 0.00 H new ATOM 520 N GLY A 34 15.784 -1.675 1.555 1.00 0.00 N ATOM 521 CA GLY A 34 15.827 -0.543 2.465 1.00 0.00 C ATOM 522 C GLY A 34 14.830 0.539 2.043 1.00 0.00 C ATOM 523 O GLY A 34 14.246 0.501 0.962 1.00 0.00 O ATOM 0 H GLY A 34 14.917 -2.212 1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.600 -0.877 3.477 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.834 -0.126 2.485 1.00 0.00 H new ATOM 527 N PRO A 35 14.648 1.516 2.933 1.00 0.00 N ATOM 528 CA PRO A 35 13.754 2.638 2.741 1.00 0.00 C ATOM 529 C PRO A 35 14.009 3.266 1.378 1.00 0.00 C ATOM 530 O PRO A 35 15.169 3.392 0.990 1.00 0.00 O ATOM 531 CB PRO A 35 14.100 3.612 3.866 1.00 0.00 C ATOM 532 CG PRO A 35 15.447 3.085 4.503 1.00 0.00 C ATOM 533 CD PRO A 35 15.318 1.592 4.213 1.00 0.00 C ATOM 0 HA PRO A 35 12.702 2.352 2.768 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.221 4.625 3.481 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.304 3.647 4.610 1.00 0.00 H new ATOM 0 HG2 PRO A 35 16.328 3.525 4.035 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.513 3.297 5.570 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.296 1.111 4.176 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.744 1.087 4.990 1.00 0.00 H new ATOM 541 N GLY A 36 12.942 3.641 0.688 1.00 0.00 N ATOM 542 CA GLY A 36 13.075 4.249 -0.625 1.00 0.00 C ATOM 543 C GLY A 36 12.031 3.694 -1.595 1.00 0.00 C ATOM 544 O GLY A 36 11.056 3.073 -1.175 1.00 0.00 O ATOM 0 H GLY A 36 11.981 3.535 1.014 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.961 5.330 -0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 36 14.075 4.063 -1.016 1.00 0.00 H new ATOM 548 N LYS A 37 12.270 3.938 -2.875 1.00 0.00 N ATOM 549 CA LYS A 37 11.362 3.470 -3.909 1.00 0.00 C ATOM 550 C LYS A 37 11.486 1.951 -4.040 1.00 0.00 C ATOM 551 O LYS A 37 12.561 1.391 -3.831 1.00 0.00 O ATOM 552 CB LYS A 37 11.607 4.223 -5.218 1.00 0.00 C ATOM 553 CG LYS A 37 10.304 4.400 -6.001 1.00 0.00 C ATOM 554 CD LYS A 37 10.209 3.388 -7.143 1.00 0.00 C ATOM 555 CE LYS A 37 10.394 4.072 -8.499 1.00 0.00 C ATOM 556 NZ LYS A 37 10.655 3.069 -9.555 1.00 0.00 N ATOM 0 H LYS A 37 13.080 4.454 -3.220 1.00 0.00 H new ATOM 0 HA LYS A 37 10.329 3.683 -3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.042 5.199 -5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.329 3.678 -5.826 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.453 4.278 -5.331 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.251 5.412 -6.402 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.968 2.617 -7.014 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.240 2.890 -7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.502 4.647 -8.748 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.223 4.778 -8.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.778 3.551 -10.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.519 2.539 -9.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.851 2.412 -9.616 1.00 0.00 H new ATOM 569 N ILE A 38 10.370 1.326 -4.387 1.00 0.00 N ATOM 570 CA ILE A 38 10.340 -0.117 -4.549 1.00 0.00 C ATOM 571 C ILE A 38 10.330 -0.459 -6.041 1.00 0.00 C ATOM 572 O ILE A 38 9.409 -0.077 -6.762 1.00 0.00 O ATOM 573 CB ILE A 38 9.167 -0.720 -3.772 1.00 0.00 C ATOM 574 CG1 ILE A 38 9.238 -0.341 -2.292 1.00 0.00 C ATOM 575 CG2 ILE A 38 9.096 -2.234 -3.974 1.00 0.00 C ATOM 576 CD1 ILE A 38 7.950 -0.729 -1.564 1.00 0.00 C ATOM 0 H ILE A 38 9.480 1.793 -4.560 1.00 0.00 H new ATOM 0 HA ILE A 38 11.238 -0.566 -4.125 1.00 0.00 H new ATOM 0 HB ILE A 38 8.242 -0.300 -4.168 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.088 -0.840 -1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.406 0.732 -2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.254 -2.637 -3.411 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.963 -2.454 -5.033 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.020 -2.692 -3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.027 -0.448 -0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.105 -0.210 -2.017 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.798 -1.806 -1.642 1.00 0.00 H new ATOM 588 N GLU A 39 11.364 -1.174 -6.459 1.00 0.00 N ATOM 589 CA GLU A 39 11.485 -1.571 -7.851 1.00 0.00 C ATOM 590 C GLU A 39 10.663 -2.833 -8.117 1.00 0.00 C ATOM 591 O GLU A 39 10.722 -3.790 -7.347 1.00 0.00 O ATOM 592 CB GLU A 39 12.951 -1.780 -8.235 1.00 0.00 C ATOM 593 CG GLU A 39 13.499 -0.568 -8.991 1.00 0.00 C ATOM 594 CD GLU A 39 14.113 -0.987 -10.329 1.00 0.00 C ATOM 595 OE1 GLU A 39 14.553 -2.136 -10.476 1.00 0.00 O ATOM 596 OE2 GLU A 39 14.123 -0.069 -11.235 1.00 0.00 O ATOM 0 H GLU A 39 12.126 -1.489 -5.858 1.00 0.00 H new ATOM 0 HA GLU A 39 11.091 -0.768 -8.473 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.545 -1.952 -7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.045 -2.672 -8.854 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.697 0.150 -9.164 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.251 -0.066 -8.383 1.00 0.00 H new ATOM 604 N GLY A 40 9.915 -2.794 -9.210 1.00 0.00 N ATOM 605 CA GLY A 40 9.082 -3.923 -9.587 1.00 0.00 C ATOM 606 C GLY A 40 7.613 -3.658 -9.247 1.00 0.00 C ATOM 607 O GLY A 40 6.720 -4.031 -10.006 1.00 0.00 O ATOM 0 H GLY A 40 9.869 -1.998 -9.846 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.183 -4.113 -10.655 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.423 -4.820 -9.070 1.00 0.00 H new ATOM 611 N PHE A 41 7.409 -3.017 -8.106 1.00 0.00 N ATOM 612 CA PHE A 41 6.065 -2.698 -7.657 1.00 0.00 C ATOM 613 C PHE A 41 5.150 -2.385 -8.843 1.00 0.00 C ATOM 614 O PHE A 41 5.612 -1.912 -9.880 1.00 0.00 O ATOM 615 CB PHE A 41 6.172 -1.456 -6.770 1.00 0.00 C ATOM 616 CG PHE A 41 4.863 -1.067 -6.081 1.00 0.00 C ATOM 617 CD1 PHE A 41 4.319 -1.888 -5.143 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.242 0.098 -6.407 1.00 0.00 C ATOM 619 CE1 PHE A 41 3.103 -1.528 -4.503 1.00 0.00 C ATOM 620 CE2 PHE A 41 3.026 0.458 -5.767 1.00 0.00 C ATOM 621 CZ PHE A 41 2.483 -0.363 -4.829 1.00 0.00 C ATOM 0 H PHE A 41 8.152 -2.710 -7.479 1.00 0.00 H new ATOM 0 HA PHE A 41 5.642 -3.547 -7.120 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.933 -1.630 -6.009 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.514 -0.618 -7.377 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.812 -2.814 -4.885 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.673 0.750 -7.153 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.671 -2.180 -3.758 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.533 1.384 -6.025 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.558 -0.089 -4.343 1.00 0.00 H new ATOM 631 N GLY A 42 3.869 -2.664 -8.650 1.00 0.00 N ATOM 632 CA GLY A 42 2.885 -2.418 -9.691 1.00 0.00 C ATOM 633 C GLY A 42 1.505 -2.929 -9.273 1.00 0.00 C ATOM 634 O GLY A 42 1.259 -3.167 -8.091 1.00 0.00 O ATOM 0 H GLY A 42 3.490 -3.058 -7.789 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.833 -1.350 -9.902 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.195 -2.910 -10.613 1.00 0.00 H new ATOM 638 N LYS A 43 0.640 -3.083 -10.264 1.00 0.00 N ATOM 639 CA LYS A 43 -0.709 -3.561 -10.014 1.00 0.00 C ATOM 640 C LYS A 43 -0.642 -4.915 -9.304 1.00 0.00 C ATOM 641 O LYS A 43 -0.834 -4.994 -8.092 1.00 0.00 O ATOM 642 CB LYS A 43 -1.518 -3.587 -11.312 1.00 0.00 C ATOM 643 CG LYS A 43 -3.019 -3.648 -11.022 1.00 0.00 C ATOM 644 CD LYS A 43 -3.721 -4.623 -11.969 1.00 0.00 C ATOM 645 CE LYS A 43 -4.832 -3.922 -12.753 1.00 0.00 C ATOM 646 NZ LYS A 43 -5.115 -4.647 -14.012 1.00 0.00 N ATOM 0 H LYS A 43 0.847 -2.885 -11.243 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.238 -2.878 -9.350 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.294 -2.698 -11.902 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.224 -4.449 -11.910 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.181 -3.958 -9.990 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.454 -2.654 -11.129 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.995 -5.049 -12.662 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.141 -5.451 -11.398 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.736 -3.869 -12.146 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.537 -2.897 -12.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.871 -4.158 -14.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.256 -4.676 -14.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.417 -5.618 -13.793 1.00 0.00 H new ATOM 659 N GLU A 44 -0.368 -5.946 -10.090 1.00 0.00 N ATOM 660 CA GLU A 44 -0.273 -7.292 -9.551 1.00 0.00 C ATOM 661 C GLU A 44 0.320 -7.260 -8.141 1.00 0.00 C ATOM 662 O GLU A 44 -0.086 -8.033 -7.275 1.00 0.00 O ATOM 663 CB GLU A 44 0.551 -8.194 -10.472 1.00 0.00 C ATOM 664 CG GLU A 44 -0.276 -8.654 -11.674 1.00 0.00 C ATOM 665 CD GLU A 44 -1.414 -7.673 -11.964 1.00 0.00 C ATOM 666 OE1 GLU A 44 -1.168 -6.578 -12.492 1.00 0.00 O ATOM 667 OE2 GLU A 44 -2.588 -8.083 -11.622 1.00 0.00 O ATOM 0 H GLU A 44 -0.209 -5.876 -11.095 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.278 -7.710 -9.491 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.434 -7.657 -10.818 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.904 -9.062 -9.916 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.366 -8.741 -12.550 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.686 -9.645 -11.480 1.00 0.00 H new ATOM 675 N MET A 45 1.272 -6.357 -7.955 1.00 0.00 N ATOM 676 CA MET A 45 1.925 -6.214 -6.665 1.00 0.00 C ATOM 677 C MET A 45 0.970 -5.616 -5.630 1.00 0.00 C ATOM 678 O MET A 45 0.731 -6.215 -4.582 1.00 0.00 O ATOM 679 CB MET A 45 3.151 -5.309 -6.811 1.00 0.00 C ATOM 680 CG MET A 45 4.344 -5.873 -6.036 1.00 0.00 C ATOM 681 SD MET A 45 4.003 -5.843 -4.284 1.00 0.00 S ATOM 682 CE MET A 45 5.593 -6.351 -3.651 1.00 0.00 C ATOM 0 H MET A 45 1.606 -5.718 -8.676 1.00 0.00 H new ATOM 0 HA MET A 45 2.230 -7.203 -6.322 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.411 -5.210 -7.865 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.915 -4.309 -6.446 1.00 0.00 H new ATOM 0 HG2 MET A 45 4.547 -6.894 -6.358 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.238 -5.287 -6.251 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.557 -6.386 -2.562 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.839 -7.340 -4.038 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.355 -5.638 -3.966 1.00 0.00 H new ATOM 692 N ALA A 46 0.449 -4.444 -5.960 1.00 0.00 N ATOM 693 CA ALA A 46 -0.475 -3.759 -5.072 1.00 0.00 C ATOM 694 C ALA A 46 -1.602 -4.716 -4.679 1.00 0.00 C ATOM 695 O ALA A 46 -1.879 -4.901 -3.495 1.00 0.00 O ATOM 696 CB ALA A 46 -0.998 -2.493 -5.756 1.00 0.00 C ATOM 0 H ALA A 46 0.649 -3.951 -6.830 1.00 0.00 H new ATOM 0 HA ALA A 46 0.030 -3.450 -4.157 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.691 -1.979 -5.090 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.162 -1.833 -5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.514 -2.764 -6.677 1.00 0.00 H new ATOM 702 N HIS A 47 -2.221 -5.299 -5.694 1.00 0.00 N ATOM 703 CA HIS A 47 -3.312 -6.233 -5.470 1.00 0.00 C ATOM 704 C HIS A 47 -2.764 -7.525 -4.860 1.00 0.00 C ATOM 705 O HIS A 47 -3.427 -8.160 -4.042 1.00 0.00 O ATOM 706 CB HIS A 47 -4.097 -6.473 -6.761 1.00 0.00 C ATOM 707 CG HIS A 47 -4.641 -5.213 -7.391 1.00 0.00 C ATOM 708 ND1 HIS A 47 -4.813 -5.073 -8.757 1.00 0.00 N ATOM 709 CD2 HIS A 47 -5.051 -4.040 -6.829 1.00 0.00 C ATOM 710 CE1 HIS A 47 -5.304 -3.865 -8.995 1.00 0.00 C ATOM 711 NE2 HIS A 47 -5.450 -3.227 -7.799 1.00 0.00 N ATOM 0 H HIS A 47 -1.988 -5.143 -6.675 1.00 0.00 H new ATOM 0 HA HIS A 47 -4.019 -5.807 -4.758 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.450 -6.976 -7.479 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.926 -7.149 -6.550 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.051 -3.811 -5.773 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.546 -3.458 -9.966 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.807 -2.280 -7.671 1.00 0.00 H new ATOM 719 N GLY A 48 -1.558 -7.876 -5.284 1.00 0.00 N ATOM 720 CA GLY A 48 -0.913 -9.081 -4.790 1.00 0.00 C ATOM 721 C GLY A 48 -0.423 -8.891 -3.353 1.00 0.00 C ATOM 722 O GLY A 48 -1.160 -8.395 -2.503 1.00 0.00 O ATOM 0 H GLY A 48 -1.011 -7.347 -5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.613 -9.916 -4.832 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.072 -9.338 -5.434 1.00 0.00 H new ATOM 726 N LYS A 49 0.818 -9.296 -3.127 1.00 0.00 N ATOM 727 CA LYS A 49 1.416 -9.177 -1.808 1.00 0.00 C ATOM 728 C LYS A 49 2.049 -7.792 -1.663 1.00 0.00 C ATOM 729 O LYS A 49 3.119 -7.653 -1.072 1.00 0.00 O ATOM 730 CB LYS A 49 2.391 -10.328 -1.555 1.00 0.00 C ATOM 731 CG LYS A 49 2.598 -10.552 -0.056 1.00 0.00 C ATOM 732 CD LYS A 49 3.914 -11.285 0.212 1.00 0.00 C ATOM 733 CE LYS A 49 5.081 -10.300 0.306 1.00 0.00 C ATOM 734 NZ LYS A 49 4.974 -9.485 1.536 1.00 0.00 N ATOM 0 H LYS A 49 1.426 -9.707 -3.835 1.00 0.00 H new ATOM 0 HA LYS A 49 0.652 -9.262 -1.035 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.009 -11.240 -2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.348 -10.110 -2.029 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.600 -9.593 0.462 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.767 -11.130 0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.836 -11.852 1.140 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.103 -12.003 -0.586 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.025 -10.845 0.305 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.087 -9.650 -0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.916 -9.135 1.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.341 -8.678 1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.590 -10.068 2.307 1.00 0.00 H new ATOM 747 N GLY A 50 1.362 -6.801 -2.213 1.00 0.00 N ATOM 748 CA GLY A 50 1.844 -5.432 -2.152 1.00 0.00 C ATOM 749 C GLY A 50 0.990 -4.591 -1.201 1.00 0.00 C ATOM 750 O GLY A 50 1.513 -3.970 -0.277 1.00 0.00 O ATOM 0 H GLY A 50 0.475 -6.919 -2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.882 -5.423 -1.819 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.825 -4.992 -3.149 1.00 0.00 H new ATOM 754 N CYS A 51 -0.309 -4.600 -1.460 1.00 0.00 N ATOM 755 CA CYS A 51 -1.241 -3.846 -0.638 1.00 0.00 C ATOM 756 C CYS A 51 -2.293 -4.814 -0.094 1.00 0.00 C ATOM 757 O CYS A 51 -2.146 -5.341 1.008 1.00 0.00 O ATOM 758 CB CYS A 51 -1.875 -2.691 -1.416 1.00 0.00 C ATOM 759 SG CYS A 51 -0.691 -1.439 -2.032 1.00 0.00 S ATOM 0 H CYS A 51 -0.738 -5.117 -2.227 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.707 -3.387 0.194 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.423 -3.101 -2.264 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.604 -2.196 -0.774 1.00 0.00 H new ATOM 0 HG CYS A 51 -1.336 -0.512 -2.676 1.00 0.00 H new ATOM 764 N LYS A 52 -3.332 -5.017 -0.891 1.00 0.00 N ATOM 765 CA LYS A 52 -4.409 -5.912 -0.503 1.00 0.00 C ATOM 766 C LYS A 52 -3.817 -7.163 0.150 1.00 0.00 C ATOM 767 O LYS A 52 -4.257 -7.576 1.221 1.00 0.00 O ATOM 768 CB LYS A 52 -5.313 -6.213 -1.700 1.00 0.00 C ATOM 769 CG LYS A 52 -6.246 -5.035 -1.992 1.00 0.00 C ATOM 770 CD LYS A 52 -7.644 -5.525 -2.373 1.00 0.00 C ATOM 771 CE LYS A 52 -7.721 -5.855 -3.865 1.00 0.00 C ATOM 772 NZ LYS A 52 -7.061 -7.149 -4.144 1.00 0.00 N ATOM 0 H LYS A 52 -3.451 -4.577 -1.804 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.050 -5.437 0.240 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.702 -6.424 -2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.903 -7.108 -1.499 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.309 -4.390 -1.115 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.835 -4.433 -2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.895 -6.410 -1.788 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.381 -4.760 -2.127 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.763 -5.896 -4.181 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.243 -5.064 -4.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.400 -7.523 -5.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.031 -7.011 -4.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.287 -7.825 -3.386 1.00 0.00 H new ATOM 785 N GLY A 53 -2.827 -7.731 -0.524 1.00 0.00 N ATOM 786 CA GLY A 53 -2.170 -8.926 -0.023 1.00 0.00 C ATOM 787 C GLY A 53 -2.125 -8.927 1.507 1.00 0.00 C ATOM 788 O GLY A 53 -2.774 -9.751 2.149 1.00 0.00 O ATOM 0 H GLY A 53 -2.464 -7.386 -1.413 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.700 -9.811 -0.375 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.156 -8.982 -0.420 1.00 0.00 H new ATOM 792 N CYS A 54 -1.353 -7.995 2.045 1.00 0.00 N ATOM 793 CA CYS A 54 -1.216 -7.878 3.487 1.00 0.00 C ATOM 794 C CYS A 54 -2.612 -7.716 4.091 1.00 0.00 C ATOM 795 O CYS A 54 -2.933 -8.346 5.097 1.00 0.00 O ATOM 796 CB CYS A 54 -0.289 -6.724 3.875 1.00 0.00 C ATOM 797 SG CYS A 54 0.176 -6.861 5.640 1.00 0.00 S ATOM 0 H CYS A 54 -0.816 -7.314 1.509 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.752 -8.780 3.885 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.606 -6.740 3.252 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.786 -5.771 3.694 1.00 0.00 H new ATOM 0 HG CYS A 54 0.965 -5.878 5.959 1.00 0.00 H new ATOM 802 N HIS A 55 -3.404 -6.869 3.451 1.00 0.00 N ATOM 803 CA HIS A 55 -4.758 -6.616 3.913 1.00 0.00 C ATOM 804 C HIS A 55 -5.510 -7.942 4.050 1.00 0.00 C ATOM 805 O HIS A 55 -5.775 -8.397 5.161 1.00 0.00 O ATOM 806 CB HIS A 55 -5.470 -5.623 2.992 1.00 0.00 C ATOM 807 CG HIS A 55 -4.926 -4.217 3.066 1.00 0.00 C ATOM 808 ND1 HIS A 55 -5.437 -3.174 2.313 1.00 0.00 N ATOM 809 CD2 HIS A 55 -3.910 -3.693 3.810 1.00 0.00 C ATOM 810 CE1 HIS A 55 -4.753 -2.077 2.599 1.00 0.00 C ATOM 811 NE2 HIS A 55 -3.807 -2.400 3.527 1.00 0.00 N ATOM 0 H HIS A 55 -3.134 -6.349 2.616 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.729 -6.151 4.899 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.393 -5.977 1.964 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.530 -5.605 3.245 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -6.210 -3.239 1.650 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.294 -4.237 4.510 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -4.916 -1.098 2.172 1.00 0.00 H new ATOM 819 N GLU A 56 -5.831 -8.524 2.904 1.00 0.00 N ATOM 820 CA GLU A 56 -6.547 -9.788 2.882 1.00 0.00 C ATOM 821 C GLU A 56 -5.801 -10.834 3.714 1.00 0.00 C ATOM 822 O GLU A 56 -6.393 -11.818 4.155 1.00 0.00 O ATOM 823 CB GLU A 56 -6.754 -10.276 1.447 1.00 0.00 C ATOM 824 CG GLU A 56 -5.589 -9.854 0.550 1.00 0.00 C ATOM 825 CD GLU A 56 -5.328 -10.898 -0.538 1.00 0.00 C ATOM 826 OE1 GLU A 56 -5.763 -10.719 -1.685 1.00 0.00 O ATOM 827 OE2 GLU A 56 -4.646 -11.924 -0.156 1.00 0.00 O ATOM 0 H GLU A 56 -5.608 -8.144 1.984 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.531 -9.634 3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.849 -11.362 1.439 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.686 -9.871 1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.810 -8.891 0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.691 -9.720 1.153 1.00 0.00 H new ATOM 835 N GLU A 57 -4.514 -10.586 3.903 1.00 0.00 N ATOM 836 CA GLU A 57 -3.682 -11.494 4.674 1.00 0.00 C ATOM 837 C GLU A 57 -4.181 -11.575 6.117 1.00 0.00 C ATOM 838 O GLU A 57 -4.405 -12.665 6.640 1.00 0.00 O ATOM 839 CB GLU A 57 -2.213 -11.068 4.624 1.00 0.00 C ATOM 840 CG GLU A 57 -1.374 -12.080 3.842 1.00 0.00 C ATOM 841 CD GLU A 57 -1.669 -13.509 4.302 1.00 0.00 C ATOM 842 OE1 GLU A 57 -1.715 -13.773 5.512 1.00 0.00 O ATOM 843 OE2 GLU A 57 -1.856 -14.361 3.351 1.00 0.00 O ATOM 0 H GLU A 57 -4.026 -9.769 3.535 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.753 -12.487 4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.131 -10.086 4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.824 -10.974 5.638 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.585 -11.986 2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.315 -11.862 3.978 1.00 0.00 H new ATOM 851 N MET A 58 -4.340 -10.406 6.721 1.00 0.00 N ATOM 852 CA MET A 58 -4.809 -10.331 8.094 1.00 0.00 C ATOM 853 C MET A 58 -6.309 -10.033 8.147 1.00 0.00 C ATOM 854 O MET A 58 -6.886 -9.922 9.227 1.00 0.00 O ATOM 855 CB MET A 58 -4.044 -9.233 8.836 1.00 0.00 C ATOM 856 CG MET A 58 -2.538 -9.501 8.810 1.00 0.00 C ATOM 857 SD MET A 58 -1.957 -9.882 10.454 1.00 0.00 S ATOM 858 CE MET A 58 -1.807 -8.232 11.120 1.00 0.00 C ATOM 0 H MET A 58 -4.152 -9.503 6.284 1.00 0.00 H new ATOM 0 HA MET A 58 -4.633 -11.295 8.571 1.00 0.00 H new ATOM 0 HB2 MET A 58 -4.253 -8.266 8.378 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.390 -9.178 9.868 1.00 0.00 H new ATOM 0 HG2 MET A 58 -2.319 -10.330 8.137 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.012 -8.629 8.423 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.452 -8.286 12.149 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.098 -7.661 10.521 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.780 -7.741 11.097 1.00 0.00 H new ATOM 868 N LYS A 59 -6.897 -9.912 6.966 1.00 0.00 N ATOM 869 CA LYS A 59 -8.318 -9.630 6.863 1.00 0.00 C ATOM 870 C LYS A 59 -8.580 -8.188 7.303 1.00 0.00 C ATOM 871 O LYS A 59 -9.731 -7.771 7.424 1.00 0.00 O ATOM 872 CB LYS A 59 -9.129 -10.667 7.642 1.00 0.00 C ATOM 873 CG LYS A 59 -9.734 -11.710 6.701 1.00 0.00 C ATOM 874 CD LYS A 59 -10.842 -11.097 5.843 1.00 0.00 C ATOM 875 CE LYS A 59 -12.180 -11.795 6.095 1.00 0.00 C ATOM 876 NZ LYS A 59 -13.259 -10.797 6.273 1.00 0.00 N ATOM 0 H LYS A 59 -6.415 -10.004 6.072 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.649 -9.714 5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.489 -11.160 8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.924 -10.169 8.198 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.955 -12.120 6.058 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.136 -12.540 7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.934 -10.034 6.067 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.578 -11.179 4.789 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.418 -12.451 5.258 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.108 -12.424 6.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.160 -11.287 6.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.037 -10.187 7.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.338 -10.215 5.415 1.00 0.00 H new ATOM 889 N LYS A 60 -7.493 -7.465 7.530 1.00 0.00 N ATOM 890 CA LYS A 60 -7.590 -6.079 7.953 1.00 0.00 C ATOM 891 C LYS A 60 -7.229 -5.165 6.781 1.00 0.00 C ATOM 892 O LYS A 60 -6.407 -5.525 5.939 1.00 0.00 O ATOM 893 CB LYS A 60 -6.742 -5.840 9.204 1.00 0.00 C ATOM 894 CG LYS A 60 -7.082 -6.852 10.299 1.00 0.00 C ATOM 895 CD LYS A 60 -8.360 -6.450 11.039 1.00 0.00 C ATOM 896 CE LYS A 60 -9.338 -7.624 11.121 1.00 0.00 C ATOM 897 NZ LYS A 60 -9.380 -8.168 12.497 1.00 0.00 N ATOM 0 H LYS A 60 -6.540 -7.814 7.429 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.614 -5.839 8.240 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.685 -5.915 8.950 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.910 -4.829 9.574 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.208 -7.841 9.859 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.255 -6.921 11.005 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.111 -6.109 12.044 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.833 -5.613 10.526 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.334 -7.297 10.822 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.037 -8.406 10.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.048 -8.964 12.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.432 -8.498 12.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.689 -7.424 13.155 1.00 0.00 H new ATOM 910 N GLY A 61 -7.861 -4.001 6.763 1.00 0.00 N ATOM 911 CA GLY A 61 -7.616 -3.033 5.707 1.00 0.00 C ATOM 912 C GLY A 61 -8.602 -3.220 4.552 1.00 0.00 C ATOM 913 O GLY A 61 -9.280 -4.238 4.431 1.00 0.00 O ATOM 0 H GLY A 61 -8.542 -3.706 7.462 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.706 -2.023 6.107 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.595 -3.141 5.340 1.00 0.00 H new ATOM 917 N PRO A 62 -8.667 -2.198 3.695 1.00 0.00 N ATOM 918 CA PRO A 62 -9.528 -2.163 2.532 1.00 0.00 C ATOM 919 C PRO A 62 -9.078 -3.217 1.531 1.00 0.00 C ATOM 920 O PRO A 62 -7.919 -3.191 1.122 1.00 0.00 O ATOM 921 CB PRO A 62 -9.357 -0.757 1.961 1.00 0.00 C ATOM 922 CG PRO A 62 -8.028 -0.298 2.452 1.00 0.00 C ATOM 923 CD PRO A 62 -7.885 -0.987 3.807 1.00 0.00 C ATOM 0 HA PRO A 62 -10.571 -2.375 2.769 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.393 -0.767 0.872 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.153 -0.094 2.300 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.228 -0.586 1.770 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.990 0.787 2.548 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.841 -1.210 4.028 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.253 -0.353 4.613 1.00 0.00 H new ATOM 931 N THR A 63 -9.984 -4.111 1.163 1.00 0.00 N ATOM 932 CA THR A 63 -9.657 -5.161 0.213 1.00 0.00 C ATOM 933 C THR A 63 -10.602 -5.106 -0.989 1.00 0.00 C ATOM 934 O THR A 63 -10.397 -5.810 -1.977 1.00 0.00 O ATOM 935 CB THR A 63 -9.694 -6.498 0.955 1.00 0.00 C ATOM 936 OG1 THR A 63 -11.049 -6.623 1.378 1.00 0.00 O ATOM 937 CG2 THR A 63 -8.897 -6.465 2.261 1.00 0.00 C ATOM 0 H THR A 63 -10.945 -4.130 1.506 1.00 0.00 H new ATOM 0 HA THR A 63 -8.655 -5.027 -0.195 1.00 0.00 H new ATOM 0 HB THR A 63 -9.300 -7.283 0.309 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.163 -7.465 1.867 1.00 0.00 H new ATOM 0 HG21 THR A 63 -8.956 -7.438 2.748 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.855 -6.230 2.045 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.312 -5.703 2.921 1.00 0.00 H new ATOM 945 N LYS A 64 -11.617 -4.264 -0.865 1.00 0.00 N ATOM 946 CA LYS A 64 -12.595 -4.109 -1.929 1.00 0.00 C ATOM 947 C LYS A 64 -12.229 -2.889 -2.778 1.00 0.00 C ATOM 948 O LYS A 64 -11.539 -1.986 -2.308 1.00 0.00 O ATOM 949 CB LYS A 64 -14.011 -4.054 -1.352 1.00 0.00 C ATOM 950 CG LYS A 64 -14.278 -5.253 -0.440 1.00 0.00 C ATOM 951 CD LYS A 64 -15.321 -6.188 -1.055 1.00 0.00 C ATOM 952 CE LYS A 64 -15.076 -7.637 -0.631 1.00 0.00 C ATOM 953 NZ LYS A 64 -14.227 -8.332 -1.624 1.00 0.00 N ATOM 0 H LYS A 64 -11.784 -3.682 -0.044 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.579 -4.975 -2.590 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.143 -3.129 -0.791 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.738 -4.041 -2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.350 -5.799 -0.270 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.625 -4.904 0.533 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.319 -5.879 -0.746 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.286 -6.113 -2.142 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.595 -7.659 0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.028 -8.158 -0.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.071 -9.314 -1.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.701 -8.327 -2.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.312 -7.844 -1.701 1.00 0.00 H new ATOM 966 N CYS A 65 -12.707 -2.904 -4.014 1.00 0.00 N ATOM 967 CA CYS A 65 -12.439 -1.810 -4.932 1.00 0.00 C ATOM 968 C CYS A 65 -13.203 -0.577 -4.447 1.00 0.00 C ATOM 969 O CYS A 65 -14.181 -0.697 -3.711 1.00 0.00 O ATOM 970 CB CYS A 65 -12.805 -2.178 -6.372 1.00 0.00 C ATOM 971 SG CYS A 65 -12.718 -3.966 -6.752 1.00 0.00 S ATOM 0 H CYS A 65 -13.278 -3.656 -4.401 1.00 0.00 H new ATOM 0 HA CYS A 65 -11.371 -1.593 -4.941 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.816 -1.826 -6.576 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -12.139 -1.644 -7.049 1.00 0.00 H new ATOM 0 HG CYS A 65 -13.049 -4.162 -7.994 1.00 0.00 H new ATOM 976 N GLY A 66 -12.727 0.582 -4.879 1.00 0.00 N ATOM 977 CA GLY A 66 -13.353 1.837 -4.498 1.00 0.00 C ATOM 978 C GLY A 66 -12.778 2.359 -3.180 1.00 0.00 C ATOM 979 O GLY A 66 -12.649 3.567 -2.990 1.00 0.00 O ATOM 0 H GLY A 66 -11.915 0.678 -5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.200 2.577 -5.284 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.429 1.695 -4.398 1.00 0.00 H new ATOM 983 N GLU A 67 -12.446 1.422 -2.304 1.00 0.00 N ATOM 984 CA GLU A 67 -11.887 1.772 -1.009 1.00 0.00 C ATOM 985 C GLU A 67 -10.450 2.271 -1.169 1.00 0.00 C ATOM 986 O GLU A 67 -9.911 2.920 -0.274 1.00 0.00 O ATOM 987 CB GLU A 67 -11.951 0.586 -0.045 1.00 0.00 C ATOM 988 CG GLU A 67 -12.481 1.019 1.323 1.00 0.00 C ATOM 989 CD GLU A 67 -12.502 -0.158 2.301 1.00 0.00 C ATOM 990 OE1 GLU A 67 -12.576 -1.319 1.872 1.00 0.00 O ATOM 991 OE2 GLU A 67 -12.437 0.168 3.547 1.00 0.00 O ATOM 0 H GLU A 67 -12.553 0.421 -2.466 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.486 2.577 -0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.595 -0.190 -0.459 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.958 0.150 0.067 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.856 1.818 1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.487 1.425 1.215 1.00 0.00 H new ATOM 999 N CYS A 68 -9.870 1.950 -2.316 1.00 0.00 N ATOM 1000 CA CYS A 68 -8.505 2.358 -2.605 1.00 0.00 C ATOM 1001 C CYS A 68 -8.537 3.354 -3.766 1.00 0.00 C ATOM 1002 O CYS A 68 -7.939 4.425 -3.686 1.00 0.00 O ATOM 1003 CB CYS A 68 -7.608 1.156 -2.909 1.00 0.00 C ATOM 1004 SG CYS A 68 -6.501 0.827 -1.489 1.00 0.00 S ATOM 0 H CYS A 68 -10.320 1.412 -3.057 1.00 0.00 H new ATOM 0 HA CYS A 68 -8.073 2.838 -1.727 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.220 0.278 -3.115 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.017 1.350 -3.804 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.745 -0.197 -1.756 1.00 0.00 H new ATOM 1009 N HIS A 69 -9.242 2.965 -4.819 1.00 0.00 N ATOM 1010 CA HIS A 69 -9.359 3.810 -5.994 1.00 0.00 C ATOM 1011 C HIS A 69 -10.530 4.779 -5.815 1.00 0.00 C ATOM 1012 O HIS A 69 -11.686 4.403 -6.004 1.00 0.00 O ATOM 1013 CB HIS A 69 -9.480 2.963 -7.263 1.00 0.00 C ATOM 1014 CG HIS A 69 -8.318 2.025 -7.487 1.00 0.00 C ATOM 1015 ND1 HIS A 69 -7.066 2.463 -7.882 1.00 0.00 N ATOM 1016 CD2 HIS A 69 -8.231 0.669 -7.367 1.00 0.00 C ATOM 1017 CE1 HIS A 69 -6.270 1.410 -7.993 1.00 0.00 C ATOM 1018 NE2 HIS A 69 -6.994 0.299 -7.674 1.00 0.00 N ATOM 0 H HIS A 69 -9.738 2.076 -4.882 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.453 4.406 -6.109 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.400 2.380 -7.213 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.570 3.626 -8.123 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -6.801 3.432 -8.058 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.033 0.008 -7.072 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.230 1.428 -8.285 1.00 0.00 H new ATOM 1026 N LYS A 70 -10.191 6.007 -5.452 1.00 0.00 N ATOM 1027 CA LYS A 70 -11.199 7.032 -5.245 1.00 0.00 C ATOM 1028 C LYS A 70 -11.006 8.146 -6.275 1.00 0.00 C ATOM 1029 O LYS A 70 -9.979 8.824 -6.277 1.00 0.00 O ATOM 1030 CB LYS A 70 -11.175 7.523 -3.796 1.00 0.00 C ATOM 1031 CG LYS A 70 -11.873 6.527 -2.868 1.00 0.00 C ATOM 1032 CD LYS A 70 -13.012 7.200 -2.099 1.00 0.00 C ATOM 1033 CE LYS A 70 -14.361 6.928 -2.767 1.00 0.00 C ATOM 1034 NZ LYS A 70 -14.934 8.181 -3.307 1.00 0.00 N ATOM 0 H LYS A 70 -9.231 6.315 -5.296 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.197 6.622 -5.401 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.144 7.665 -3.473 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.666 8.494 -3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.266 5.694 -3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.151 6.111 -2.165 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.030 6.832 -1.073 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.837 8.275 -2.050 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.236 6.202 -3.571 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.049 6.488 -2.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.849 7.978 -3.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.072 8.862 -2.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.284 8.585 -4.011 1.00 0.00 H new ATOM 1047 N LYS A 71 -12.010 8.302 -7.126 1.00 0.00 N ATOM 1048 CA LYS A 71 -11.963 9.323 -8.158 1.00 0.00 C ATOM 1049 C LYS A 71 -13.336 9.990 -8.273 1.00 0.00 C ATOM 1050 O LYS A 71 -14.037 9.809 -9.267 1.00 0.00 O ATOM 1051 CB LYS A 71 -11.456 8.731 -9.475 1.00 0.00 C ATOM 1052 CG LYS A 71 -10.719 9.786 -10.303 1.00 0.00 C ATOM 1053 CD LYS A 71 -11.569 10.241 -11.492 1.00 0.00 C ATOM 1054 CE LYS A 71 -10.831 10.010 -12.812 1.00 0.00 C ATOM 1055 NZ LYS A 71 -11.075 8.638 -13.309 1.00 0.00 N ATOM 0 H LYS A 71 -12.860 7.738 -7.122 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.250 10.103 -7.890 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.789 7.894 -9.269 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.295 8.336 -10.047 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.477 10.643 -9.675 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.774 9.377 -10.662 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.513 9.696 -11.499 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.812 11.298 -11.387 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.164 10.736 -13.553 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.762 10.167 -12.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.567 8.498 -14.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.736 7.949 -12.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.094 8.501 -13.464 1.00 0.00 H new