USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 471 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 5 TYR OH : rot -33:sc= 0.206 USER MOD Set 1.2: A 39 GLN : amide:sc= -6.29 K(o=-6.1,f=-11!) USER MOD Single : A 1 ALA N :NH3+ -101:sc= 0.0947 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.333 X(o=-0.33,f=-0.33) USER MOD Single : A 11 ASN : amide:sc= -2.61 K(o=-2.6,f=-9.3!) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.0149 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -1.69 K(o=-1.7,f=-0.0038) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0302 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.984 K(o=-0.98,f=-3.3!) USER MOD Single : A 29 THR OG1 : rot -55:sc= 0.341 USER MOD Single : A 31 ASN : amide:sc= -3.35 K(o=-3.3,f=-2) USER MOD Single : A 35 SER OG : rot -38:sc= 0.133! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -2.66! K(o=-2.7!,f=-0.93) USER MOD Single : A 52 GLN : amide:sc= -0.0736 X(o=-0.074,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.366 X(o=-0.37,f=-0.0027) USER MOD Single : A 64 LYS NZ :NH3+ 148:sc= -0.474 (180deg=-0.766) USER MOD Single : A 66 HIS : no HD1:sc= -3.77! C(o=-3.8!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA ALA A 1 2.093 -0.001 -1.241 1.00 0.00 C ATOM 3 C ALA A 1 2.381 -1.424 -1.707 1.00 0.00 C ATOM 4 O ALA A 1 2.234 -2.379 -0.944 1.00 0.00 O ATOM 5 CB ALA A 1 3.392 0.771 -1.063 1.00 0.00 C ATOM 0 H1 ALA A 1 0.327 0.187 -0.209 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.419 -0.926 0.464 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.694 0.741 0.632 1.00 0.00 H new ATOM 0 HA ALA A 1 1.494 0.491 -2.007 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.952 0.762 -1.998 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.168 1.801 -0.785 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.988 0.304 -0.279 1.00 0.00 H new ATOM 11 N ARG A 2 2.792 -1.559 -2.964 1.00 0.00 N ATOM 12 CA ARG A 2 3.099 -2.866 -3.532 1.00 0.00 C ATOM 13 C ARG A 2 4.166 -2.751 -4.617 1.00 0.00 C ATOM 14 O ARG A 2 4.686 -1.666 -4.876 1.00 0.00 O ATOM 15 CB ARG A 2 1.835 -3.504 -4.110 1.00 0.00 C ATOM 16 CG ARG A 2 1.091 -2.606 -5.085 1.00 0.00 C ATOM 17 CD ARG A 2 0.218 -1.596 -4.357 1.00 0.00 C ATOM 18 NE ARG A 2 -0.736 -0.950 -5.254 1.00 0.00 N ATOM 19 CZ ARG A 2 -1.901 -1.487 -5.599 1.00 0.00 C ATOM 20 NH1 ARG A 2 -2.253 -2.674 -5.124 1.00 0.00 N ATOM 21 NH2 ARG A 2 -2.715 -0.838 -6.420 1.00 0.00 N ATOM 0 H ARG A 2 2.920 -0.779 -3.608 1.00 0.00 H new ATOM 0 HA ARG A 2 3.485 -3.500 -2.733 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.105 -4.431 -4.616 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.166 -3.771 -3.292 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.807 -2.081 -5.717 1.00 0.00 H new ATOM 0 HG3 ARG A 2 0.472 -3.216 -5.743 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.322 -2.096 -3.553 1.00 0.00 H new ATOM 0 HD3 ARG A 2 0.850 -0.838 -3.893 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.495 -0.036 -5.637 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -1.629 -3.176 -4.493 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -3.148 -3.085 -5.390 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.447 0.075 -6.788 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -3.609 -1.252 -6.684 1.00 0.00 H new ATOM 35 N ASP A 3 4.486 -3.876 -5.246 1.00 0.00 N ATOM 36 CA ASP A 3 5.490 -3.901 -6.304 1.00 0.00 C ATOM 37 C ASP A 3 4.836 -4.084 -7.670 1.00 0.00 C ATOM 38 O ASP A 3 3.961 -4.932 -7.842 1.00 0.00 O ATOM 39 CB ASP A 3 6.497 -5.024 -6.053 1.00 0.00 C ATOM 40 CG ASP A 3 7.072 -4.984 -4.650 1.00 0.00 C ATOM 41 OD1 ASP A 3 6.832 -3.986 -3.939 1.00 0.00 O ATOM 42 OD2 ASP A 3 7.760 -5.951 -4.263 1.00 0.00 O ATOM 0 H ASP A 3 4.065 -4.783 -5.042 1.00 0.00 H new ATOM 0 HA ASP A 3 6.013 -2.945 -6.297 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.012 -5.986 -6.216 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.308 -4.949 -6.777 1.00 0.00 H new ATOM 47 N ALA A 4 5.266 -3.281 -8.638 1.00 0.00 N ATOM 48 CA ALA A 4 4.723 -3.354 -9.988 1.00 0.00 C ATOM 49 C ALA A 4 5.457 -2.404 -10.928 1.00 0.00 C ATOM 50 O ALA A 4 6.442 -1.773 -10.543 1.00 0.00 O ATOM 51 CB ALA A 4 3.234 -3.042 -9.977 1.00 0.00 C ATOM 0 H ALA A 4 5.989 -2.573 -8.512 1.00 0.00 H new ATOM 0 HA ALA A 4 4.867 -4.370 -10.355 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.842 -3.100 -10.993 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.716 -3.764 -9.346 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.076 -2.038 -9.584 1.00 0.00 H new ATOM 57 N TYR A 5 4.973 -2.307 -12.161 1.00 0.00 N ATOM 58 CA TYR A 5 5.586 -1.436 -13.157 1.00 0.00 C ATOM 59 C TYR A 5 5.057 -0.010 -13.032 1.00 0.00 C ATOM 60 O TYR A 5 3.854 0.207 -12.891 1.00 0.00 O ATOM 61 CB TYR A 5 5.320 -1.970 -14.565 1.00 0.00 C ATOM 62 CG TYR A 5 5.222 -3.477 -14.633 1.00 0.00 C ATOM 63 CD1 TYR A 5 6.346 -4.274 -14.453 1.00 0.00 C ATOM 64 CD2 TYR A 5 4.007 -4.104 -14.879 1.00 0.00 C ATOM 65 CE1 TYR A 5 6.262 -5.652 -14.514 1.00 0.00 C ATOM 66 CE2 TYR A 5 3.914 -5.481 -14.941 1.00 0.00 C ATOM 67 CZ TYR A 5 5.044 -6.250 -14.758 1.00 0.00 C ATOM 68 OH TYR A 5 4.955 -7.622 -14.821 1.00 0.00 O ATOM 0 H TYR A 5 4.158 -2.821 -12.495 1.00 0.00 H new ATOM 0 HA TYR A 5 6.661 -1.422 -12.979 1.00 0.00 H new ATOM 0 HB2 TYR A 5 4.393 -1.537 -14.939 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.118 -1.636 -15.228 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.302 -3.808 -14.262 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.120 -3.505 -15.024 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.145 -6.257 -14.371 1.00 0.00 H new ATOM 0 HE2 TYR A 5 2.961 -5.953 -15.132 1.00 0.00 H new ATOM 0 HH TYR A 5 5.785 -7.987 -15.194 1.00 0.00 H new ATOM 78 N ILE A 6 5.966 0.958 -13.087 1.00 0.00 N ATOM 79 CA ILE A 6 5.592 2.362 -12.983 1.00 0.00 C ATOM 80 C ILE A 6 4.970 2.864 -14.281 1.00 0.00 C ATOM 81 O ILE A 6 5.486 2.607 -15.368 1.00 0.00 O ATOM 82 CB ILE A 6 6.806 3.244 -12.635 1.00 0.00 C ATOM 83 CG1 ILE A 6 6.441 4.725 -12.756 1.00 0.00 C ATOM 84 CG2 ILE A 6 7.982 2.907 -13.540 1.00 0.00 C ATOM 85 CD1 ILE A 6 7.276 5.627 -11.876 1.00 0.00 C ATOM 0 H ILE A 6 6.966 0.795 -13.203 1.00 0.00 H new ATOM 0 HA ILE A 6 4.858 2.433 -12.180 1.00 0.00 H new ATOM 0 HB ILE A 6 7.097 3.045 -11.604 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.557 5.036 -13.794 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.389 4.854 -12.500 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.832 3.538 -13.282 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.254 1.860 -13.408 1.00 0.00 H new ATOM 0 HG23 ILE A 6 7.703 3.081 -14.579 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.962 6.662 -12.014 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.142 5.343 -10.832 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.327 5.528 -12.147 1.00 0.00 H new ATOM 97 N ALA A 7 3.858 3.581 -14.160 1.00 0.00 N ATOM 98 CA ALA A 7 3.166 4.122 -15.323 1.00 0.00 C ATOM 99 C ALA A 7 3.752 5.469 -15.733 1.00 0.00 C ATOM 100 O ALA A 7 4.286 6.204 -14.902 1.00 0.00 O ATOM 101 CB ALA A 7 1.678 4.256 -15.038 1.00 0.00 C ATOM 0 H ALA A 7 3.417 3.801 -13.267 1.00 0.00 H new ATOM 0 HA ALA A 7 3.304 3.428 -16.152 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.174 4.661 -15.916 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.263 3.276 -14.802 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.529 4.927 -14.192 1.00 0.00 H new ATOM 107 N LYS A 8 3.649 5.788 -17.019 1.00 0.00 N ATOM 108 CA LYS A 8 4.168 7.047 -17.539 1.00 0.00 C ATOM 109 C LYS A 8 3.162 7.702 -18.480 1.00 0.00 C ATOM 110 O LYS A 8 2.185 7.088 -18.908 1.00 0.00 O ATOM 111 CB LYS A 8 5.491 6.813 -18.272 1.00 0.00 C ATOM 112 CG LYS A 8 5.390 6.982 -19.778 1.00 0.00 C ATOM 113 CD LYS A 8 6.524 6.270 -20.496 1.00 0.00 C ATOM 114 CE LYS A 8 7.782 7.124 -20.534 1.00 0.00 C ATOM 115 NZ LYS A 8 7.818 8.006 -21.733 1.00 0.00 N ATOM 0 H LYS A 8 3.210 5.191 -17.720 1.00 0.00 H new ATOM 0 HA LYS A 8 4.340 7.716 -16.696 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.238 7.507 -17.886 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.846 5.807 -18.051 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.435 6.589 -20.126 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.409 8.043 -20.028 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.738 5.326 -19.994 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.217 6.027 -21.513 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.834 7.735 -19.632 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.660 6.478 -20.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.691 8.572 -21.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.794 7.423 -22.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.994 8.641 -21.722 1.00 0.00 H new ATOM 129 N PRO A 9 3.405 8.979 -18.812 1.00 0.00 N ATOM 130 CA PRO A 9 2.533 9.744 -19.708 1.00 0.00 C ATOM 131 C PRO A 9 2.608 9.252 -21.150 1.00 0.00 C ATOM 132 O PRO A 9 3.590 9.498 -21.850 1.00 0.00 O ATOM 133 CB PRO A 9 3.078 11.170 -19.601 1.00 0.00 C ATOM 134 CG PRO A 9 4.504 11.002 -19.205 1.00 0.00 C ATOM 135 CD PRO A 9 4.551 9.773 -18.340 1.00 0.00 C ATOM 0 HA PRO A 9 1.483 9.652 -19.431 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.990 11.699 -20.550 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.527 11.750 -18.860 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.142 10.887 -20.082 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.864 11.876 -18.662 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.490 9.233 -18.460 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.459 10.022 -17.283 1.00 0.00 H new ATOM 143 N HIS A 10 1.563 8.556 -21.588 1.00 0.00 N ATOM 144 CA HIS A 10 0.414 8.281 -20.732 1.00 0.00 C ATOM 145 C HIS A 10 0.037 6.804 -20.787 1.00 0.00 C ATOM 146 O HIS A 10 -0.148 6.241 -21.865 1.00 0.00 O ATOM 147 CB HIS A 10 -0.779 9.140 -21.152 1.00 0.00 C ATOM 148 CG HIS A 10 -0.846 10.459 -20.445 1.00 0.00 C ATOM 149 ND1 HIS A 10 -1.550 10.650 -19.274 1.00 0.00 N ATOM 150 CD2 HIS A 10 -0.291 11.656 -20.748 1.00 0.00 C ATOM 151 CE1 HIS A 10 -1.426 11.908 -18.889 1.00 0.00 C ATOM 152 NE2 HIS A 10 -0.666 12.539 -19.766 1.00 0.00 N ATOM 0 H HIS A 10 1.488 8.172 -22.530 1.00 0.00 H new ATOM 0 HA HIS A 10 0.688 8.530 -19.707 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -0.730 9.315 -22.227 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -1.699 8.588 -20.961 1.00 0.00 H new ATOM 0 HD2 HIS A 10 0.331 11.875 -21.603 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -1.870 12.346 -18.007 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -0.401 13.523 -19.721 1.00 0.00 H new ATOM 160 N ASN A 11 -0.074 6.183 -19.617 1.00 0.00 N ATOM 161 CA ASN A 11 -0.428 4.770 -19.533 1.00 0.00 C ATOM 162 C ASN A 11 0.617 3.905 -20.231 1.00 0.00 C ATOM 163 O ASN A 11 0.315 2.808 -20.703 1.00 0.00 O ATOM 164 CB ASN A 11 -1.805 4.530 -20.155 1.00 0.00 C ATOM 165 CG ASN A 11 -2.512 3.333 -19.550 1.00 0.00 C ATOM 166 OD1 ASN A 11 -3.131 3.434 -18.490 1.00 0.00 O ATOM 167 ND2 ASN A 11 -2.422 2.191 -20.221 1.00 0.00 N ATOM 0 H ASN A 11 0.076 6.635 -18.715 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.459 4.491 -18.480 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -2.421 5.419 -20.020 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.694 4.379 -21.229 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -2.876 1.351 -19.862 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.899 2.153 -21.096 1.00 0.00 H new ATOM 174 N CYS A 12 1.846 4.406 -20.293 1.00 0.00 N ATOM 175 CA CYS A 12 2.936 3.680 -20.933 1.00 0.00 C ATOM 176 C CYS A 12 3.908 3.130 -19.893 1.00 0.00 C ATOM 177 O CYS A 12 4.016 3.660 -18.787 1.00 0.00 O ATOM 178 CB CYS A 12 3.680 4.593 -21.910 1.00 0.00 C ATOM 179 SG CYS A 12 2.642 5.895 -22.648 1.00 0.00 S ATOM 0 H CYS A 12 2.112 5.312 -19.908 1.00 0.00 H new ATOM 0 HA CYS A 12 2.508 2.842 -21.483 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.515 5.061 -21.389 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.103 3.984 -22.709 1.00 0.00 H new ATOM 184 N VAL A 13 4.614 2.064 -20.256 1.00 0.00 N ATOM 185 CA VAL A 13 5.578 1.443 -19.356 1.00 0.00 C ATOM 186 C VAL A 13 6.931 2.141 -19.432 1.00 0.00 C ATOM 187 O VAL A 13 7.270 2.751 -20.447 1.00 0.00 O ATOM 188 CB VAL A 13 5.766 -0.052 -19.679 1.00 0.00 C ATOM 189 CG1 VAL A 13 4.490 -0.635 -20.267 1.00 0.00 C ATOM 190 CG2 VAL A 13 6.938 -0.248 -20.628 1.00 0.00 C ATOM 0 H VAL A 13 4.536 1.612 -21.167 1.00 0.00 H new ATOM 0 HA VAL A 13 5.177 1.542 -18.347 1.00 0.00 H new ATOM 0 HB VAL A 13 5.986 -0.582 -18.752 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.641 -1.691 -20.489 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.677 -0.528 -19.549 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.237 -0.104 -21.185 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.056 -1.309 -20.845 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.750 0.294 -21.555 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.849 0.131 -20.165 1.00 0.00 H new ATOM 200 N TYR A 14 7.700 2.048 -18.353 1.00 0.00 N ATOM 201 CA TYR A 14 9.017 2.673 -18.297 1.00 0.00 C ATOM 202 C TYR A 14 10.108 1.681 -18.685 1.00 0.00 C ATOM 203 O TYR A 14 10.658 0.983 -17.834 1.00 0.00 O ATOM 204 CB TYR A 14 9.285 3.220 -16.894 1.00 0.00 C ATOM 205 CG TYR A 14 8.844 4.655 -16.708 1.00 0.00 C ATOM 206 CD1 TYR A 14 9.539 5.698 -17.308 1.00 0.00 C ATOM 207 CD2 TYR A 14 7.734 4.967 -15.933 1.00 0.00 C ATOM 208 CE1 TYR A 14 9.141 7.010 -17.141 1.00 0.00 C ATOM 209 CE2 TYR A 14 7.328 6.276 -15.762 1.00 0.00 C ATOM 210 CZ TYR A 14 8.035 7.294 -16.367 1.00 0.00 C ATOM 211 OH TYR A 14 7.634 8.600 -16.198 1.00 0.00 O ATOM 0 H TYR A 14 7.435 1.546 -17.506 1.00 0.00 H new ATOM 0 HA TYR A 14 9.031 3.497 -19.010 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.771 2.594 -16.165 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.352 3.146 -16.682 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.405 5.479 -17.915 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.179 4.173 -15.456 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.693 7.809 -17.614 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.462 6.501 -15.158 1.00 0.00 H new ATOM 0 HH TYR A 14 6.838 8.627 -15.626 1.00 0.00 H new ATOM 221 N GLU A 15 10.416 1.625 -19.977 1.00 0.00 N ATOM 222 CA GLU A 15 11.441 0.718 -20.479 1.00 0.00 C ATOM 223 C GLU A 15 12.814 1.089 -19.926 1.00 0.00 C ATOM 224 O GLU A 15 13.262 2.228 -20.059 1.00 0.00 O ATOM 225 CB GLU A 15 11.472 0.744 -22.009 1.00 0.00 C ATOM 226 CG GLU A 15 11.593 2.142 -22.592 1.00 0.00 C ATOM 227 CD GLU A 15 12.253 2.150 -23.957 1.00 0.00 C ATOM 228 OE1 GLU A 15 11.696 1.531 -24.888 1.00 0.00 O ATOM 229 OE2 GLU A 15 13.326 2.774 -24.095 1.00 0.00 O ATOM 0 H GLU A 15 9.970 2.197 -20.695 1.00 0.00 H new ATOM 0 HA GLU A 15 11.193 -0.289 -20.145 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.310 0.141 -22.357 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.563 0.278 -22.390 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.601 2.586 -22.670 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.170 2.767 -21.910 1.00 0.00 H new ATOM 236 N CYS A 16 13.476 0.120 -19.304 1.00 0.00 N ATOM 237 CA CYS A 16 14.797 0.343 -18.728 1.00 0.00 C ATOM 238 C CYS A 16 15.888 -0.219 -19.636 1.00 0.00 C ATOM 239 O CYS A 16 15.780 -1.340 -20.133 1.00 0.00 O ATOM 240 CB CYS A 16 14.888 -0.302 -17.344 1.00 0.00 C ATOM 241 SG CYS A 16 13.971 -1.868 -17.190 1.00 0.00 S ATOM 0 H CYS A 16 13.119 -0.828 -19.186 1.00 0.00 H new ATOM 0 HA CYS A 16 14.947 1.418 -18.631 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.937 -0.483 -17.108 1.00 0.00 H new ATOM 0 HB3 CYS A 16 14.511 0.402 -16.602 1.00 0.00 H new ATOM 246 N TYR A 17 16.937 0.568 -19.846 1.00 0.00 N ATOM 247 CA TYR A 17 18.047 0.150 -20.695 1.00 0.00 C ATOM 248 C TYR A 17 19.213 -0.361 -19.855 1.00 0.00 C ATOM 249 O TYR A 17 19.993 -1.200 -20.302 1.00 0.00 O ATOM 250 CB TYR A 17 18.509 1.313 -21.575 1.00 0.00 C ATOM 251 CG TYR A 17 17.715 1.457 -22.854 1.00 0.00 C ATOM 252 CD1 TYR A 17 16.476 0.845 -22.999 1.00 0.00 C ATOM 253 CD2 TYR A 17 18.205 2.204 -23.919 1.00 0.00 C ATOM 254 CE1 TYR A 17 15.748 0.973 -24.166 1.00 0.00 C ATOM 255 CE2 TYR A 17 17.483 2.339 -25.089 1.00 0.00 C ATOM 256 CZ TYR A 17 16.256 1.721 -25.207 1.00 0.00 C ATOM 257 OH TYR A 17 15.534 1.852 -26.372 1.00 0.00 O ATOM 0 H TYR A 17 17.042 1.498 -19.441 1.00 0.00 H new ATOM 0 HA TYR A 17 17.698 -0.663 -21.332 1.00 0.00 H new ATOM 0 HB2 TYR A 17 18.436 2.240 -21.006 1.00 0.00 H new ATOM 0 HB3 TYR A 17 19.561 1.174 -21.824 1.00 0.00 H new ATOM 0 HD1 TYR A 17 16.075 0.259 -22.185 1.00 0.00 H new ATOM 0 HD2 TYR A 17 19.167 2.687 -23.830 1.00 0.00 H new ATOM 0 HE1 TYR A 17 14.787 0.490 -24.262 1.00 0.00 H new ATOM 0 HE2 TYR A 17 17.877 2.925 -25.906 1.00 0.00 H new ATOM 0 HH TYR A 17 16.032 2.411 -27.004 1.00 0.00 H new ATOM 267 N ASN A 18 19.324 0.152 -18.634 1.00 0.00 N ATOM 268 CA ASN A 18 20.394 -0.251 -17.730 1.00 0.00 C ATOM 269 C ASN A 18 19.858 -1.150 -16.619 1.00 0.00 C ATOM 270 O ASN A 18 19.568 -0.702 -15.510 1.00 0.00 O ATOM 271 CB ASN A 18 21.069 0.980 -17.123 1.00 0.00 C ATOM 272 CG ASN A 18 22.529 0.736 -16.792 1.00 0.00 C ATOM 273 OD1 ASN A 18 23.344 1.659 -16.807 1.00 0.00 O ATOM 274 ND2 ASN A 18 22.866 -0.513 -16.491 1.00 0.00 N ATOM 0 H ASN A 18 18.686 0.848 -18.248 1.00 0.00 H new ATOM 0 HA ASN A 18 21.129 -0.813 -18.306 1.00 0.00 H new ATOM 0 HB2 ASN A 18 20.992 1.814 -17.821 1.00 0.00 H new ATOM 0 HB3 ASN A 18 20.538 1.272 -16.217 1.00 0.00 H new ATOM 0 HD21 ASN A 18 23.834 -0.739 -16.260 1.00 0.00 H new ATOM 0 HD22 ASN A 18 22.157 -1.247 -16.491 1.00 0.00 H new ATOM 281 N PRO A 19 19.724 -2.450 -16.923 1.00 0.00 N ATOM 282 CA PRO A 19 19.224 -3.439 -15.963 1.00 0.00 C ATOM 283 C PRO A 19 20.214 -3.704 -14.834 1.00 0.00 C ATOM 284 O PRO A 19 19.825 -4.088 -13.731 1.00 0.00 O ATOM 285 CB PRO A 19 19.037 -4.696 -16.816 1.00 0.00 C ATOM 286 CG PRO A 19 19.988 -4.530 -17.950 1.00 0.00 C ATOM 287 CD PRO A 19 20.052 -3.053 -18.225 1.00 0.00 C ATOM 0 HA PRO A 19 18.313 -3.103 -15.468 1.00 0.00 H new ATOM 0 HB2 PRO A 19 19.256 -5.598 -16.245 1.00 0.00 H new ATOM 0 HB3 PRO A 19 18.010 -4.785 -17.170 1.00 0.00 H new ATOM 0 HG2 PRO A 19 20.972 -4.922 -17.694 1.00 0.00 H new ATOM 0 HG3 PRO A 19 19.646 -5.076 -18.829 1.00 0.00 H new ATOM 0 HD2 PRO A 19 21.041 -2.751 -18.570 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.341 -2.756 -18.996 1.00 0.00 H new ATOM 295 N LYS A 20 21.496 -3.495 -15.116 1.00 0.00 N ATOM 296 CA LYS A 20 22.543 -3.710 -14.124 1.00 0.00 C ATOM 297 C LYS A 20 22.878 -2.411 -13.398 1.00 0.00 C ATOM 298 O LYS A 20 23.978 -2.248 -12.873 1.00 0.00 O ATOM 299 CB LYS A 20 23.799 -4.272 -14.792 1.00 0.00 C ATOM 300 CG LYS A 20 23.762 -5.778 -14.987 1.00 0.00 C ATOM 301 CD LYS A 20 22.336 -6.296 -15.061 1.00 0.00 C ATOM 302 CE LYS A 20 22.285 -7.712 -15.614 1.00 0.00 C ATOM 303 NZ LYS A 20 22.770 -8.712 -14.623 1.00 0.00 N ATOM 0 H LYS A 20 21.835 -3.177 -16.024 1.00 0.00 H new ATOM 0 HA LYS A 20 22.175 -4.430 -13.393 1.00 0.00 H new ATOM 0 HB2 LYS A 20 23.931 -3.792 -15.762 1.00 0.00 H new ATOM 0 HB3 LYS A 20 24.668 -4.014 -14.188 1.00 0.00 H new ATOM 0 HG2 LYS A 20 24.293 -6.040 -15.902 1.00 0.00 H new ATOM 0 HG3 LYS A 20 24.285 -6.265 -14.164 1.00 0.00 H new ATOM 0 HD2 LYS A 20 21.889 -6.276 -14.067 1.00 0.00 H new ATOM 0 HD3 LYS A 20 21.740 -5.636 -15.692 1.00 0.00 H new ATOM 0 HE2 LYS A 20 21.262 -7.953 -15.902 1.00 0.00 H new ATOM 0 HE3 LYS A 20 22.893 -7.771 -16.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 22.720 -9.664 -15.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 23.755 -8.498 -14.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 22.175 -8.673 -13.771 1.00 0.00 H new ATOM 317 N GLY A 21 21.920 -1.489 -13.370 1.00 0.00 N ATOM 318 CA GLY A 21 22.133 -0.217 -12.704 1.00 0.00 C ATOM 319 C GLY A 21 20.944 0.204 -11.864 1.00 0.00 C ATOM 320 O GLY A 21 19.948 -0.515 -11.782 1.00 0.00 O ATOM 0 H GLY A 21 21.000 -1.600 -13.797 1.00 0.00 H new ATOM 0 HA2 GLY A 21 23.016 -0.286 -12.069 1.00 0.00 H new ATOM 0 HA3 GLY A 21 22.337 0.551 -13.450 1.00 0.00 H new ATOM 324 N SER A 22 21.048 1.372 -11.238 1.00 0.00 N ATOM 325 CA SER A 22 19.974 1.885 -10.395 1.00 0.00 C ATOM 326 C SER A 22 19.060 2.815 -11.186 1.00 0.00 C ATOM 327 O SER A 22 18.454 3.730 -10.628 1.00 0.00 O ATOM 328 CB SER A 22 20.554 2.626 -9.189 1.00 0.00 C ATOM 329 OG SER A 22 21.738 3.323 -9.539 1.00 0.00 O ATOM 0 H SER A 22 21.864 1.981 -11.298 1.00 0.00 H new ATOM 0 HA SER A 22 19.385 1.038 -10.043 1.00 0.00 H new ATOM 0 HB2 SER A 22 19.816 3.328 -8.801 1.00 0.00 H new ATOM 0 HB3 SER A 22 20.769 1.916 -8.391 1.00 0.00 H new ATOM 0 HG SER A 22 22.088 3.790 -8.751 1.00 0.00 H new ATOM 335 N TYR A 23 18.966 2.574 -12.489 1.00 0.00 N ATOM 336 CA TYR A 23 18.128 3.391 -13.359 1.00 0.00 C ATOM 337 C TYR A 23 16.670 3.341 -12.914 1.00 0.00 C ATOM 338 O TYR A 23 16.110 4.343 -12.467 1.00 0.00 O ATOM 339 CB TYR A 23 18.247 2.917 -14.809 1.00 0.00 C ATOM 340 CG TYR A 23 17.773 3.936 -15.820 1.00 0.00 C ATOM 341 CD1 TYR A 23 17.065 5.063 -15.420 1.00 0.00 C ATOM 342 CD2 TYR A 23 18.033 3.773 -17.175 1.00 0.00 C ATOM 343 CE1 TYR A 23 16.629 5.997 -16.340 1.00 0.00 C ATOM 344 CE2 TYR A 23 17.602 4.702 -18.102 1.00 0.00 C ATOM 345 CZ TYR A 23 16.901 5.812 -17.680 1.00 0.00 C ATOM 346 OH TYR A 23 16.469 6.739 -18.600 1.00 0.00 O ATOM 0 H TYR A 23 19.460 1.820 -12.966 1.00 0.00 H new ATOM 0 HA TYR A 23 18.475 4.422 -13.291 1.00 0.00 H new ATOM 0 HB2 TYR A 23 19.288 2.668 -15.017 1.00 0.00 H new ATOM 0 HB3 TYR A 23 17.670 2.001 -14.931 1.00 0.00 H new ATOM 0 HD1 TYR A 23 16.852 5.211 -14.372 1.00 0.00 H new ATOM 0 HD2 TYR A 23 18.582 2.905 -17.509 1.00 0.00 H new ATOM 0 HE1 TYR A 23 16.079 6.867 -16.012 1.00 0.00 H new ATOM 0 HE2 TYR A 23 17.813 4.560 -19.152 1.00 0.00 H new ATOM 0 HH TYR A 23 16.743 6.460 -19.499 1.00 0.00 H new ATOM 356 N CYS A 24 16.060 2.167 -13.039 1.00 0.00 N ATOM 357 CA CYS A 24 14.667 1.984 -12.650 1.00 0.00 C ATOM 358 C CYS A 24 14.473 2.281 -11.166 1.00 0.00 C ATOM 359 O CYS A 24 13.463 2.857 -10.765 1.00 0.00 O ATOM 360 CB CYS A 24 14.213 0.556 -12.960 1.00 0.00 C ATOM 361 SG CYS A 24 12.472 0.221 -12.540 1.00 0.00 S ATOM 0 H CYS A 24 16.509 1.328 -13.407 1.00 0.00 H new ATOM 0 HA CYS A 24 14.060 2.684 -13.224 1.00 0.00 H new ATOM 0 HB2 CYS A 24 14.363 0.361 -14.022 1.00 0.00 H new ATOM 0 HB3 CYS A 24 14.848 -0.142 -12.415 1.00 0.00 H new ATOM 366 N ASN A 25 15.448 1.882 -10.356 1.00 0.00 N ATOM 367 CA ASN A 25 15.385 2.105 -8.916 1.00 0.00 C ATOM 368 C ASN A 25 15.167 3.582 -8.603 1.00 0.00 C ATOM 369 O ASN A 25 14.203 3.949 -7.930 1.00 0.00 O ATOM 370 CB ASN A 25 16.670 1.614 -8.246 1.00 0.00 C ATOM 371 CG ASN A 25 16.448 1.195 -6.806 1.00 0.00 C ATOM 372 OD1 ASN A 25 16.272 0.013 -6.511 1.00 0.00 O ATOM 373 ND2 ASN A 25 16.455 2.166 -5.900 1.00 0.00 N ATOM 0 H ASN A 25 16.291 1.403 -10.672 1.00 0.00 H new ATOM 0 HA ASN A 25 14.540 1.540 -8.523 1.00 0.00 H new ATOM 0 HB2 ASN A 25 17.071 0.771 -8.809 1.00 0.00 H new ATOM 0 HB3 ASN A 25 17.419 2.405 -8.280 1.00 0.00 H new ATOM 0 HD21 ASN A 25 16.311 1.945 -4.915 1.00 0.00 H new ATOM 0 HD22 ASN A 25 16.605 3.133 -6.189 1.00 0.00 H new ATOM 380 N ASP A 26 16.068 4.424 -9.096 1.00 0.00 N ATOM 381 CA ASP A 26 15.974 5.862 -8.870 1.00 0.00 C ATOM 382 C ASP A 26 14.644 6.407 -9.383 1.00 0.00 C ATOM 383 O ASP A 26 13.926 7.101 -8.662 1.00 0.00 O ATOM 384 CB ASP A 26 17.133 6.585 -9.557 1.00 0.00 C ATOM 385 CG ASP A 26 18.398 6.577 -8.721 1.00 0.00 C ATOM 386 OD1 ASP A 26 18.661 7.586 -8.034 1.00 0.00 O ATOM 387 OD2 ASP A 26 19.123 5.561 -8.752 1.00 0.00 O ATOM 0 H ASP A 26 16.872 4.136 -9.655 1.00 0.00 H new ATOM 0 HA ASP A 26 16.030 6.040 -7.796 1.00 0.00 H new ATOM 0 HB2 ASP A 26 17.333 6.112 -10.518 1.00 0.00 H new ATOM 0 HB3 ASP A 26 16.844 7.616 -9.763 1.00 0.00 H new ATOM 392 N LEU A 27 14.322 6.089 -10.632 1.00 0.00 N ATOM 393 CA LEU A 27 13.079 6.547 -11.242 1.00 0.00 C ATOM 394 C LEU A 27 11.873 6.101 -10.421 1.00 0.00 C ATOM 395 O LEU A 27 10.905 6.846 -10.265 1.00 0.00 O ATOM 396 CB LEU A 27 12.962 6.014 -12.671 1.00 0.00 C ATOM 397 CG LEU A 27 11.542 5.767 -13.181 1.00 0.00 C ATOM 398 CD1 LEU A 27 10.719 7.043 -13.109 1.00 0.00 C ATOM 399 CD2 LEU A 27 11.573 5.230 -14.605 1.00 0.00 C ATOM 0 H LEU A 27 14.905 5.516 -11.242 1.00 0.00 H new ATOM 0 HA LEU A 27 13.096 7.637 -11.267 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.450 6.721 -13.342 1.00 0.00 H new ATOM 0 HB3 LEU A 27 13.517 5.078 -12.735 1.00 0.00 H new ATOM 0 HG LEU A 27 11.072 5.020 -12.542 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.712 6.847 -13.476 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.668 7.386 -12.075 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.186 7.812 -13.724 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.554 5.060 -14.952 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.062 5.954 -15.256 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.125 4.291 -14.628 1.00 0.00 H new ATOM 411 N CYS A 28 11.939 4.882 -9.896 1.00 0.00 N ATOM 412 CA CYS A 28 10.854 4.337 -9.089 1.00 0.00 C ATOM 413 C CYS A 28 10.642 5.170 -7.828 1.00 0.00 C ATOM 414 O CYS A 28 9.521 5.578 -7.520 1.00 0.00 O ATOM 415 CB CYS A 28 11.152 2.885 -8.710 1.00 0.00 C ATOM 416 SG CYS A 28 10.767 1.680 -10.021 1.00 0.00 S ATOM 0 H CYS A 28 12.733 4.253 -10.015 1.00 0.00 H new ATOM 0 HA CYS A 28 9.941 4.371 -9.683 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.207 2.798 -8.450 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.581 2.629 -7.817 1.00 0.00 H new ATOM 421 N THR A 29 11.727 5.420 -7.101 1.00 0.00 N ATOM 422 CA THR A 29 11.661 6.203 -5.874 1.00 0.00 C ATOM 423 C THR A 29 11.196 7.627 -6.155 1.00 0.00 C ATOM 424 O THR A 29 10.646 8.294 -5.279 1.00 0.00 O ATOM 425 CB THR A 29 13.027 6.251 -5.164 1.00 0.00 C ATOM 426 OG1 THR A 29 13.778 7.381 -5.623 1.00 0.00 O ATOM 427 CG2 THR A 29 13.814 4.975 -5.419 1.00 0.00 C ATOM 0 H THR A 29 12.662 5.091 -7.341 1.00 0.00 H new ATOM 0 HA THR A 29 10.939 5.710 -5.223 1.00 0.00 H new ATOM 0 HB THR A 29 12.852 6.343 -4.092 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.847 7.353 -6.600 1.00 0.00 H new ATOM 0 HG21 THR A 29 14.775 5.032 -4.908 1.00 0.00 H new ATOM 0 HG22 THR A 29 13.253 4.120 -5.042 1.00 0.00 H new ATOM 0 HG23 THR A 29 13.979 4.857 -6.490 1.00 0.00 H new ATOM 435 N GLU A 30 11.421 8.087 -7.382 1.00 0.00 N ATOM 436 CA GLU A 30 11.024 9.433 -7.777 1.00 0.00 C ATOM 437 C GLU A 30 9.520 9.629 -7.610 1.00 0.00 C ATOM 438 O GLU A 30 9.040 10.754 -7.483 1.00 0.00 O ATOM 439 CB GLU A 30 11.427 9.702 -9.229 1.00 0.00 C ATOM 440 CG GLU A 30 11.297 11.160 -9.636 1.00 0.00 C ATOM 441 CD GLU A 30 12.504 11.987 -9.236 1.00 0.00 C ATOM 442 OE1 GLU A 30 12.325 12.978 -8.498 1.00 0.00 O ATOM 443 OE2 GLU A 30 13.626 11.643 -9.662 1.00 0.00 O ATOM 0 H GLU A 30 11.876 7.548 -8.119 1.00 0.00 H new ATOM 0 HA GLU A 30 11.539 10.141 -7.127 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.459 9.383 -9.376 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.808 9.093 -9.888 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.161 11.221 -10.716 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.403 11.583 -9.178 1.00 0.00 H new ATOM 450 N ASN A 31 8.782 8.523 -7.613 1.00 0.00 N ATOM 451 CA ASN A 31 7.332 8.572 -7.463 1.00 0.00 C ATOM 452 C ASN A 31 6.916 8.158 -6.054 1.00 0.00 C ATOM 453 O ASN A 31 5.783 7.737 -5.829 1.00 0.00 O ATOM 454 CB ASN A 31 6.661 7.661 -8.493 1.00 0.00 C ATOM 455 CG ASN A 31 6.940 8.097 -9.918 1.00 0.00 C ATOM 456 OD1 ASN A 31 6.024 8.444 -10.664 1.00 0.00 O ATOM 457 ND2 ASN A 31 8.211 8.079 -10.304 1.00 0.00 N ATOM 0 H ASN A 31 9.164 7.583 -7.718 1.00 0.00 H new ATOM 0 HA ASN A 31 7.009 9.599 -7.631 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.012 6.639 -8.353 1.00 0.00 H new ATOM 0 HB3 ASN A 31 5.585 7.655 -8.322 1.00 0.00 H new ATOM 0 HD21 ASN A 31 8.460 8.360 -11.252 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.938 7.784 -9.652 1.00 0.00 H new ATOM 464 N GLY A 32 7.843 8.282 -5.109 1.00 0.00 N ATOM 465 CA GLY A 32 7.555 7.917 -3.734 1.00 0.00 C ATOM 466 C GLY A 32 7.740 6.435 -3.476 1.00 0.00 C ATOM 467 O GLY A 32 7.224 5.900 -2.496 1.00 0.00 O ATOM 0 H GLY A 32 8.788 8.629 -5.271 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.206 8.483 -3.067 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.530 8.199 -3.494 1.00 0.00 H new ATOM 471 N ALA A 33 8.479 5.771 -4.359 1.00 0.00 N ATOM 472 CA ALA A 33 8.732 4.342 -4.221 1.00 0.00 C ATOM 473 C ALA A 33 9.927 4.081 -3.311 1.00 0.00 C ATOM 474 O ALA A 33 10.829 4.911 -3.204 1.00 0.00 O ATOM 475 CB ALA A 33 8.959 3.712 -5.588 1.00 0.00 C ATOM 0 H ALA A 33 8.913 6.199 -5.177 1.00 0.00 H new ATOM 0 HA ALA A 33 7.854 3.885 -3.764 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.147 2.645 -5.470 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.074 3.859 -6.208 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.819 4.181 -6.067 1.00 0.00 H new ATOM 481 N GLU A 34 9.927 2.923 -2.659 1.00 0.00 N ATOM 482 CA GLU A 34 11.012 2.555 -1.757 1.00 0.00 C ATOM 483 C GLU A 34 12.226 2.062 -2.539 1.00 0.00 C ATOM 484 O GLU A 34 13.368 2.266 -2.127 1.00 0.00 O ATOM 485 CB GLU A 34 10.547 1.473 -0.779 1.00 0.00 C ATOM 486 CG GLU A 34 11.248 1.529 0.568 1.00 0.00 C ATOM 487 CD GLU A 34 11.211 0.201 1.300 1.00 0.00 C ATOM 488 OE1 GLU A 34 11.628 -0.815 0.706 1.00 0.00 O ATOM 489 OE2 GLU A 34 10.765 0.178 2.466 1.00 0.00 O ATOM 0 H GLU A 34 9.188 2.224 -2.738 1.00 0.00 H new ATOM 0 HA GLU A 34 11.300 3.443 -1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.473 1.572 -0.624 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.716 0.494 -1.227 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.285 1.830 0.421 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.778 2.294 1.186 1.00 0.00 H new ATOM 496 N SER A 35 11.970 1.411 -3.669 1.00 0.00 N ATOM 497 CA SER A 35 13.041 0.884 -4.507 1.00 0.00 C ATOM 498 C SER A 35 12.529 0.572 -5.910 1.00 0.00 C ATOM 499 O SER A 35 11.365 0.815 -6.227 1.00 0.00 O ATOM 500 CB SER A 35 13.637 -0.377 -3.877 1.00 0.00 C ATOM 501 OG SER A 35 13.733 -0.246 -2.470 1.00 0.00 O ATOM 0 H SER A 35 11.031 1.236 -4.025 1.00 0.00 H new ATOM 0 HA SER A 35 13.817 1.645 -4.583 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.017 -1.239 -4.124 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.625 -0.565 -4.296 1.00 0.00 H new ATOM 0 HG SER A 35 13.991 0.672 -2.244 1.00 0.00 H new ATOM 507 N GLY A 36 13.408 0.030 -6.747 1.00 0.00 N ATOM 508 CA GLY A 36 13.028 -0.307 -8.107 1.00 0.00 C ATOM 509 C GLY A 36 14.133 -1.024 -8.857 1.00 0.00 C ATOM 510 O GLY A 36 15.307 -0.912 -8.504 1.00 0.00 O ATOM 0 H GLY A 36 14.377 -0.182 -6.508 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.139 -0.937 -8.087 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.761 0.604 -8.643 1.00 0.00 H new ATOM 514 N TYR A 37 13.757 -1.764 -9.895 1.00 0.00 N ATOM 515 CA TYR A 37 14.725 -2.505 -10.694 1.00 0.00 C ATOM 516 C TYR A 37 14.170 -2.803 -12.084 1.00 0.00 C ATOM 517 O TYR A 37 12.957 -2.778 -12.299 1.00 0.00 O ATOM 518 CB TYR A 37 15.103 -3.811 -9.993 1.00 0.00 C ATOM 519 CG TYR A 37 14.150 -4.950 -10.279 1.00 0.00 C ATOM 520 CD1 TYR A 37 14.329 -5.770 -11.387 1.00 0.00 C ATOM 521 CD2 TYR A 37 13.071 -5.205 -9.443 1.00 0.00 C ATOM 522 CE1 TYR A 37 13.461 -6.811 -11.653 1.00 0.00 C ATOM 523 CE2 TYR A 37 12.198 -6.245 -9.701 1.00 0.00 C ATOM 524 CZ TYR A 37 12.397 -7.045 -10.807 1.00 0.00 C ATOM 525 OH TYR A 37 11.530 -8.080 -11.067 1.00 0.00 O ATOM 0 H TYR A 37 12.790 -1.866 -10.202 1.00 0.00 H new ATOM 0 HA TYR A 37 15.617 -1.888 -10.803 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.107 -4.102 -10.302 1.00 0.00 H new ATOM 0 HB3 TYR A 37 15.138 -3.639 -8.917 1.00 0.00 H new ATOM 0 HD1 TYR A 37 15.161 -5.590 -12.051 1.00 0.00 H new ATOM 0 HD2 TYR A 37 12.911 -4.580 -8.577 1.00 0.00 H new ATOM 0 HE1 TYR A 37 13.615 -7.438 -12.519 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.364 -6.430 -9.040 1.00 0.00 H new ATOM 0 HH TYR A 37 10.837 -8.108 -10.374 1.00 0.00 H new ATOM 535 N CYS A 38 15.065 -3.085 -13.024 1.00 0.00 N ATOM 536 CA CYS A 38 14.668 -3.388 -14.393 1.00 0.00 C ATOM 537 C CYS A 38 14.078 -4.792 -14.491 1.00 0.00 C ATOM 538 O CYS A 38 14.748 -5.779 -14.187 1.00 0.00 O ATOM 539 CB CYS A 38 15.867 -3.260 -15.335 1.00 0.00 C ATOM 540 SG CYS A 38 15.431 -3.296 -17.103 1.00 0.00 S ATOM 0 H CYS A 38 16.072 -3.110 -12.862 1.00 0.00 H new ATOM 0 HA CYS A 38 13.903 -2.670 -14.690 1.00 0.00 H new ATOM 0 HB2 CYS A 38 16.387 -2.327 -15.119 1.00 0.00 H new ATOM 0 HB3 CYS A 38 16.566 -4.070 -15.128 1.00 0.00 H new ATOM 545 N GLN A 39 12.821 -4.872 -14.915 1.00 0.00 N ATOM 546 CA GLN A 39 12.142 -6.155 -15.052 1.00 0.00 C ATOM 547 C GLN A 39 12.170 -6.634 -16.500 1.00 0.00 C ATOM 548 O GLN A 39 11.760 -5.914 -17.410 1.00 0.00 O ATOM 549 CB GLN A 39 10.695 -6.044 -14.568 1.00 0.00 C ATOM 550 CG GLN A 39 9.852 -7.268 -14.885 1.00 0.00 C ATOM 551 CD GLN A 39 8.834 -7.009 -15.978 1.00 0.00 C ATOM 552 OE1 GLN A 39 7.751 -7.593 -15.985 1.00 0.00 O ATOM 553 NE2 GLN A 39 9.178 -6.128 -16.910 1.00 0.00 N ATOM 0 H GLN A 39 12.253 -4.064 -15.169 1.00 0.00 H new ATOM 0 HA GLN A 39 12.669 -6.884 -14.437 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.693 -5.881 -13.490 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.234 -5.168 -15.024 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.506 -8.086 -15.189 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.335 -7.592 -13.982 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.087 -5.667 -16.865 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.534 -5.912 -17.671 1.00 0.00 H new ATOM 562 N ILE A 40 12.658 -7.853 -16.705 1.00 0.00 N ATOM 563 CA ILE A 40 12.739 -8.428 -18.042 1.00 0.00 C ATOM 564 C ILE A 40 11.532 -9.313 -18.333 1.00 0.00 C ATOM 565 O ILE A 40 11.039 -9.358 -19.461 1.00 0.00 O ATOM 566 CB ILE A 40 14.024 -9.257 -18.221 1.00 0.00 C ATOM 567 CG1 ILE A 40 15.225 -8.510 -17.637 1.00 0.00 C ATOM 568 CG2 ILE A 40 14.253 -9.569 -19.692 1.00 0.00 C ATOM 569 CD1 ILE A 40 15.244 -8.485 -16.124 1.00 0.00 C ATOM 0 H ILE A 40 13.003 -8.461 -15.962 1.00 0.00 H new ATOM 0 HA ILE A 40 12.753 -7.594 -18.744 1.00 0.00 H new ATOM 0 HB ILE A 40 13.908 -10.198 -17.683 1.00 0.00 H new ATOM 0 HG12 ILE A 40 16.142 -8.976 -17.996 1.00 0.00 H new ATOM 0 HG13 ILE A 40 15.221 -7.486 -18.009 1.00 0.00 H new ATOM 0 HG21 ILE A 40 15.165 -10.155 -19.802 1.00 0.00 H new ATOM 0 HG22 ILE A 40 13.407 -10.137 -20.079 1.00 0.00 H new ATOM 0 HG23 ILE A 40 14.351 -8.638 -20.250 1.00 0.00 H new ATOM 0 HD11 ILE A 40 16.123 -7.939 -15.780 1.00 0.00 H new ATOM 0 HD12 ILE A 40 14.344 -7.992 -15.757 1.00 0.00 H new ATOM 0 HD13 ILE A 40 15.279 -9.506 -15.744 1.00 0.00 H new ATOM 581 N LEU A 41 11.058 -10.015 -17.310 1.00 0.00 N ATOM 582 CA LEU A 41 9.907 -10.898 -17.455 1.00 0.00 C ATOM 583 C LEU A 41 8.611 -10.097 -17.524 1.00 0.00 C ATOM 584 O LEU A 41 7.671 -10.350 -16.771 1.00 0.00 O ATOM 585 CB LEU A 41 9.847 -11.887 -16.289 1.00 0.00 C ATOM 586 CG LEU A 41 10.725 -13.132 -16.419 1.00 0.00 C ATOM 587 CD1 LEU A 41 10.403 -13.880 -17.703 1.00 0.00 C ATOM 588 CD2 LEU A 41 12.198 -12.753 -16.375 1.00 0.00 C ATOM 0 H LEU A 41 11.454 -9.990 -16.370 1.00 0.00 H new ATOM 0 HA LEU A 41 10.021 -11.451 -18.387 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.130 -11.361 -15.377 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.813 -12.208 -16.164 1.00 0.00 H new ATOM 0 HG LEU A 41 10.515 -13.791 -15.577 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.038 -14.763 -17.779 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.357 -14.185 -17.694 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.584 -13.229 -18.558 1.00 0.00 H new ATOM 0 HD21 LEU A 41 12.808 -13.652 -16.469 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.424 -12.074 -17.197 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.419 -12.262 -15.427 1.00 0.00 H new ATOM 600 N GLY A 42 8.567 -9.129 -18.435 1.00 0.00 N ATOM 601 CA GLY A 42 7.381 -8.306 -18.587 1.00 0.00 C ATOM 602 C GLY A 42 6.588 -8.657 -19.830 1.00 0.00 C ATOM 603 O GLY A 42 7.160 -8.907 -20.891 1.00 0.00 O ATOM 0 H GLY A 42 9.331 -8.900 -19.070 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.746 -8.424 -17.709 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.674 -7.257 -18.630 1.00 0.00 H new ATOM 607 N LYS A 43 5.266 -8.678 -19.699 1.00 0.00 N ATOM 608 CA LYS A 43 4.391 -9.002 -20.820 1.00 0.00 C ATOM 609 C LYS A 43 4.629 -8.051 -21.989 1.00 0.00 C ATOM 610 O LYS A 43 4.412 -8.408 -23.147 1.00 0.00 O ATOM 611 CB LYS A 43 2.925 -8.935 -20.385 1.00 0.00 C ATOM 612 CG LYS A 43 2.670 -7.953 -19.255 1.00 0.00 C ATOM 613 CD LYS A 43 2.589 -8.658 -17.912 1.00 0.00 C ATOM 614 CE LYS A 43 1.223 -9.291 -17.696 1.00 0.00 C ATOM 615 NZ LYS A 43 0.985 -9.622 -16.264 1.00 0.00 N ATOM 0 H LYS A 43 4.777 -8.474 -18.827 1.00 0.00 H new ATOM 0 HA LYS A 43 4.621 -10.016 -21.147 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.313 -8.656 -21.243 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.602 -9.928 -20.072 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.468 -7.211 -19.230 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.740 -7.416 -19.442 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.360 -9.426 -17.856 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.791 -7.945 -17.113 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.448 -8.609 -18.045 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.144 -10.197 -18.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.044 -10.051 -16.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.710 -10.293 -15.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.035 -8.754 -15.694 1.00 0.00 H new ATOM 629 N TYR A 44 5.078 -6.840 -21.678 1.00 0.00 N ATOM 630 CA TYR A 44 5.345 -5.837 -22.702 1.00 0.00 C ATOM 631 C TYR A 44 6.845 -5.602 -22.856 1.00 0.00 C ATOM 632 O TYR A 44 7.275 -4.544 -23.315 1.00 0.00 O ATOM 633 CB TYR A 44 4.644 -4.523 -22.355 1.00 0.00 C ATOM 634 CG TYR A 44 3.376 -4.707 -21.552 1.00 0.00 C ATOM 635 CD1 TYR A 44 2.154 -4.909 -22.183 1.00 0.00 C ATOM 636 CD2 TYR A 44 3.399 -4.678 -20.163 1.00 0.00 C ATOM 637 CE1 TYR A 44 0.993 -5.077 -21.454 1.00 0.00 C ATOM 638 CE2 TYR A 44 2.243 -4.847 -19.426 1.00 0.00 C ATOM 639 CZ TYR A 44 1.043 -5.045 -20.076 1.00 0.00 C ATOM 640 OH TYR A 44 -0.111 -5.212 -19.345 1.00 0.00 O ATOM 0 H TYR A 44 5.265 -6.529 -20.725 1.00 0.00 H new ATOM 0 HA TYR A 44 4.955 -6.209 -23.649 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.332 -3.891 -21.793 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.406 -3.993 -23.277 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.112 -4.935 -23.262 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.337 -4.521 -19.651 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.052 -5.233 -21.960 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.279 -4.824 -18.347 1.00 0.00 H new ATOM 0 HH TYR A 44 0.098 -5.164 -18.389 1.00 0.00 H new ATOM 650 N GLY A 45 7.636 -6.597 -22.469 1.00 0.00 N ATOM 651 CA GLY A 45 9.079 -6.480 -22.571 1.00 0.00 C ATOM 652 C GLY A 45 9.712 -5.970 -21.292 1.00 0.00 C ATOM 653 O GLY A 45 9.321 -6.369 -20.196 1.00 0.00 O ATOM 0 H GLY A 45 7.304 -7.482 -22.087 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.502 -7.453 -22.819 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.329 -5.806 -23.390 1.00 0.00 H new ATOM 657 N ASN A 46 10.694 -5.085 -21.431 1.00 0.00 N ATOM 658 CA ASN A 46 11.384 -4.521 -20.276 1.00 0.00 C ATOM 659 C ASN A 46 10.598 -3.352 -19.690 1.00 0.00 C ATOM 660 O ASN A 46 10.410 -2.327 -20.345 1.00 0.00 O ATOM 661 CB ASN A 46 12.788 -4.059 -20.670 1.00 0.00 C ATOM 662 CG ASN A 46 13.788 -5.200 -20.689 1.00 0.00 C ATOM 663 OD1 ASN A 46 14.413 -5.475 -21.713 1.00 0.00 O ATOM 664 ND2 ASN A 46 13.942 -5.870 -19.553 1.00 0.00 N ATOM 0 H ASN A 46 11.030 -4.743 -22.331 1.00 0.00 H new ATOM 0 HA ASN A 46 11.464 -5.299 -19.517 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.752 -3.595 -21.656 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.126 -3.295 -19.970 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.600 -6.648 -19.505 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.402 -5.607 -18.728 1.00 0.00 H new ATOM 671 N ALA A 47 10.142 -3.514 -18.453 1.00 0.00 N ATOM 672 CA ALA A 47 9.379 -2.471 -17.778 1.00 0.00 C ATOM 673 C ALA A 47 10.004 -2.117 -16.433 1.00 0.00 C ATOM 674 O ALA A 47 10.490 -2.990 -15.713 1.00 0.00 O ATOM 675 CB ALA A 47 7.934 -2.911 -17.591 1.00 0.00 C ATOM 0 H ALA A 47 10.287 -4.357 -17.898 1.00 0.00 H new ATOM 0 HA ALA A 47 9.398 -1.579 -18.404 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.376 -2.123 -17.086 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.484 -3.107 -18.564 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.905 -3.819 -16.989 1.00 0.00 H new ATOM 681 N CYS A 48 9.989 -0.831 -16.099 1.00 0.00 N ATOM 682 CA CYS A 48 10.555 -0.360 -14.840 1.00 0.00 C ATOM 683 C CYS A 48 9.766 -0.903 -13.652 1.00 0.00 C ATOM 684 O CYS A 48 8.594 -0.573 -13.470 1.00 0.00 O ATOM 685 CB CYS A 48 10.568 1.169 -14.803 1.00 0.00 C ATOM 686 SG CYS A 48 11.551 1.871 -13.440 1.00 0.00 S ATOM 0 H CYS A 48 9.591 -0.096 -16.683 1.00 0.00 H new ATOM 0 HA CYS A 48 11.579 -0.727 -14.771 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.961 1.541 -15.749 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.542 1.529 -14.720 1.00 0.00 H new ATOM 691 N TRP A 49 10.416 -1.735 -12.848 1.00 0.00 N ATOM 692 CA TRP A 49 9.776 -2.323 -11.677 1.00 0.00 C ATOM 693 C TRP A 49 10.055 -1.493 -10.429 1.00 0.00 C ATOM 694 O TRP A 49 11.188 -1.074 -10.191 1.00 0.00 O ATOM 695 CB TRP A 49 10.263 -3.758 -11.470 1.00 0.00 C ATOM 696 CG TRP A 49 9.490 -4.503 -10.424 1.00 0.00 C ATOM 697 CD1 TRP A 49 9.827 -4.657 -9.110 1.00 0.00 C ATOM 698 CD2 TRP A 49 8.251 -5.197 -10.607 1.00 0.00 C ATOM 699 NE1 TRP A 49 8.872 -5.405 -8.464 1.00 0.00 N ATOM 700 CE2 TRP A 49 7.895 -5.748 -9.360 1.00 0.00 C ATOM 701 CE3 TRP A 49 7.408 -5.406 -11.701 1.00 0.00 C ATOM 702 CZ2 TRP A 49 6.732 -6.493 -9.181 1.00 0.00 C ATOM 703 CZ3 TRP A 49 6.255 -6.146 -11.522 1.00 0.00 C ATOM 704 CH2 TRP A 49 5.925 -6.682 -10.270 1.00 0.00 C ATOM 0 H TRP A 49 11.386 -2.018 -12.985 1.00 0.00 H new ATOM 0 HA TRP A 49 8.700 -2.334 -11.850 1.00 0.00 H new ATOM 0 HB2 TRP A 49 10.194 -4.297 -12.415 1.00 0.00 H new ATOM 0 HB3 TRP A 49 11.316 -3.740 -11.189 1.00 0.00 H new ATOM 0 HD1 TRP A 49 10.714 -4.251 -8.646 1.00 0.00 H new ATOM 0 HE1 TRP A 49 8.888 -5.663 -7.477 1.00 0.00 H new ATOM 0 HE3 TRP A 49 7.653 -4.996 -12.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 6.476 -6.907 -8.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 5.597 -6.314 -12.361 1.00 0.00 H new ATOM 0 HH2 TRP A 49 5.016 -7.255 -10.162 1.00 0.00 H new ATOM 715 N CYS A 50 9.016 -1.259 -9.634 1.00 0.00 N ATOM 716 CA CYS A 50 9.150 -0.478 -8.410 1.00 0.00 C ATOM 717 C CYS A 50 8.706 -1.290 -7.196 1.00 0.00 C ATOM 718 O CYS A 50 7.740 -2.050 -7.266 1.00 0.00 O ATOM 719 CB CYS A 50 8.326 0.807 -8.508 1.00 0.00 C ATOM 720 SG CYS A 50 8.667 1.798 -9.998 1.00 0.00 S ATOM 0 H CYS A 50 8.072 -1.599 -9.816 1.00 0.00 H new ATOM 0 HA CYS A 50 10.201 -0.218 -8.286 1.00 0.00 H new ATOM 0 HB2 CYS A 50 7.267 0.549 -8.491 1.00 0.00 H new ATOM 0 HB3 CYS A 50 8.519 1.418 -7.626 1.00 0.00 H new ATOM 725 N ILE A 51 9.417 -1.121 -6.087 1.00 0.00 N ATOM 726 CA ILE A 51 9.095 -1.836 -4.858 1.00 0.00 C ATOM 727 C ILE A 51 8.558 -0.886 -3.794 1.00 0.00 C ATOM 728 O ILE A 51 9.113 0.190 -3.571 1.00 0.00 O ATOM 729 CB ILE A 51 10.325 -2.574 -4.298 1.00 0.00 C ATOM 730 CG1 ILE A 51 10.845 -3.591 -5.316 1.00 0.00 C ATOM 731 CG2 ILE A 51 9.978 -3.261 -2.985 1.00 0.00 C ATOM 732 CD1 ILE A 51 10.003 -4.845 -5.402 1.00 0.00 C ATOM 0 H ILE A 51 10.219 -0.496 -6.014 1.00 0.00 H new ATOM 0 HA ILE A 51 8.326 -2.567 -5.110 1.00 0.00 H new ATOM 0 HB ILE A 51 11.112 -1.844 -4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.884 -3.121 -6.299 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.866 -3.866 -5.053 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.857 -3.778 -2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.650 -2.516 -2.260 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.177 -3.981 -3.152 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.431 -5.520 -6.143 1.00 0.00 H new ATOM 0 HD12 ILE A 51 9.984 -5.338 -4.430 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.987 -4.581 -5.695 1.00 0.00 H new ATOM 744 N GLN A 52 7.475 -1.292 -3.138 1.00 0.00 N ATOM 745 CA GLN A 52 6.864 -0.476 -2.095 1.00 0.00 C ATOM 746 C GLN A 52 6.306 0.819 -2.675 1.00 0.00 C ATOM 747 O GLN A 52 6.494 1.897 -2.109 1.00 0.00 O ATOM 748 CB GLN A 52 7.885 -0.161 -1.000 1.00 0.00 C ATOM 749 CG GLN A 52 7.909 -1.185 0.123 1.00 0.00 C ATOM 750 CD GLN A 52 6.944 -0.845 1.242 1.00 0.00 C ATOM 751 OE1 GLN A 52 7.327 -0.246 2.247 1.00 0.00 O ATOM 752 NE2 GLN A 52 5.684 -1.228 1.074 1.00 0.00 N ATOM 0 H GLN A 52 7.003 -2.180 -3.310 1.00 0.00 H new ATOM 0 HA GLN A 52 6.040 -1.043 -1.661 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.877 -0.101 -1.447 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.664 0.821 -0.581 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.661 -2.167 -0.280 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.919 -1.252 0.527 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.410 -1.722 0.225 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.990 -1.028 1.794 1.00 0.00 H new ATOM 761 N LEU A 53 5.619 0.708 -3.806 1.00 0.00 N ATOM 762 CA LEU A 53 5.032 1.871 -4.463 1.00 0.00 C ATOM 763 C LEU A 53 3.653 2.182 -3.891 1.00 0.00 C ATOM 764 O LEU A 53 2.818 1.298 -3.703 1.00 0.00 O ATOM 765 CB LEU A 53 4.929 1.631 -5.970 1.00 0.00 C ATOM 766 CG LEU A 53 4.804 2.881 -6.842 1.00 0.00 C ATOM 767 CD1 LEU A 53 6.028 3.769 -6.682 1.00 0.00 C ATOM 768 CD2 LEU A 53 4.608 2.497 -8.301 1.00 0.00 C ATOM 0 H LEU A 53 5.454 -0.176 -4.288 1.00 0.00 H new ATOM 0 HA LEU A 53 5.682 2.727 -4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.811 1.076 -6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.065 0.993 -6.158 1.00 0.00 H new ATOM 0 HG LEU A 53 3.929 3.442 -6.515 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.921 4.653 -7.310 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.123 4.074 -5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.919 3.217 -6.981 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.521 3.399 -8.906 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.463 1.913 -8.641 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.699 1.903 -8.402 1.00 0.00 H new ATOM 780 N PRO A 54 3.408 3.470 -3.607 1.00 0.00 N ATOM 781 CA PRO A 54 2.130 3.929 -3.054 1.00 0.00 C ATOM 782 C PRO A 54 0.993 3.833 -4.066 1.00 0.00 C ATOM 783 O PRO A 54 1.196 4.034 -5.264 1.00 0.00 O ATOM 784 CB PRO A 54 2.403 5.391 -2.695 1.00 0.00 C ATOM 785 CG PRO A 54 3.511 5.803 -3.601 1.00 0.00 C ATOM 786 CD PRO A 54 4.358 4.577 -3.804 1.00 0.00 C ATOM 0 HA PRO A 54 1.810 3.321 -2.208 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.517 6.008 -2.847 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.688 5.495 -1.648 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.122 6.170 -4.551 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.094 6.612 -3.161 1.00 0.00 H new ATOM 0 HD2 PRO A 54 4.800 4.555 -4.800 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.180 4.533 -3.089 1.00 0.00 H new ATOM 794 N ASP A 55 -0.203 3.525 -3.577 1.00 0.00 N ATOM 795 CA ASP A 55 -1.374 3.404 -4.439 1.00 0.00 C ATOM 796 C ASP A 55 -1.689 4.734 -5.117 1.00 0.00 C ATOM 797 O ASP A 55 -2.553 4.808 -5.990 1.00 0.00 O ATOM 798 CB ASP A 55 -2.582 2.930 -3.631 1.00 0.00 C ATOM 799 CG ASP A 55 -2.677 1.419 -3.563 1.00 0.00 C ATOM 800 OD1 ASP A 55 -1.875 0.806 -2.828 1.00 0.00 O ATOM 801 OD2 ASP A 55 -3.554 0.849 -4.245 1.00 0.00 O ATOM 0 H ASP A 55 -0.388 3.354 -2.588 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.152 2.667 -5.211 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.520 3.333 -2.620 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.493 3.329 -4.078 1.00 0.00 H new ATOM 806 N ASN A 56 -0.983 5.783 -4.707 1.00 0.00 N ATOM 807 CA ASN A 56 -1.189 7.111 -5.273 1.00 0.00 C ATOM 808 C ASN A 56 -0.554 7.218 -6.656 1.00 0.00 C ATOM 809 O ASN A 56 -0.974 8.026 -7.484 1.00 0.00 O ATOM 810 CB ASN A 56 -0.604 8.180 -4.348 1.00 0.00 C ATOM 811 CG ASN A 56 -1.342 8.267 -3.026 1.00 0.00 C ATOM 812 OD1 ASN A 56 -0.728 8.270 -1.958 1.00 0.00 O ATOM 813 ND2 ASN A 56 -2.666 8.337 -3.091 1.00 0.00 N ATOM 0 H ASN A 56 -0.264 5.739 -3.985 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.262 7.273 -5.371 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.447 7.959 -4.161 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.642 9.148 -4.847 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.216 8.396 -2.234 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.133 8.332 -3.998 1.00 0.00 H new ATOM 820 N VAL A 57 0.461 6.394 -6.900 1.00 0.00 N ATOM 821 CA VAL A 57 1.154 6.394 -8.183 1.00 0.00 C ATOM 822 C VAL A 57 0.537 5.379 -9.140 1.00 0.00 C ATOM 823 O VAL A 57 0.228 4.247 -8.769 1.00 0.00 O ATOM 824 CB VAL A 57 2.652 6.078 -8.012 1.00 0.00 C ATOM 825 CG1 VAL A 57 3.410 6.377 -9.296 1.00 0.00 C ATOM 826 CG2 VAL A 57 3.231 6.862 -6.845 1.00 0.00 C ATOM 0 H VAL A 57 0.821 5.718 -6.226 1.00 0.00 H new ATOM 0 HA VAL A 57 1.047 7.395 -8.601 1.00 0.00 H new ATOM 0 HB VAL A 57 2.760 5.015 -7.794 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.466 6.148 -9.157 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.010 5.766 -10.105 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.298 7.432 -9.548 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.290 6.627 -6.738 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.113 7.930 -7.030 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.705 6.592 -5.929 1.00 0.00 H new ATOM 836 N PRO A 58 0.354 5.793 -10.403 1.00 0.00 N ATOM 837 CA PRO A 58 -0.226 4.935 -11.440 1.00 0.00 C ATOM 838 C PRO A 58 0.709 3.800 -11.844 1.00 0.00 C ATOM 839 O PRO A 58 1.930 3.923 -11.740 1.00 0.00 O ATOM 840 CB PRO A 58 -0.441 5.894 -12.614 1.00 0.00 C ATOM 841 CG PRO A 58 0.558 6.979 -12.405 1.00 0.00 C ATOM 842 CD PRO A 58 0.700 7.130 -10.915 1.00 0.00 C ATOM 0 HA PRO A 58 -1.138 4.444 -11.100 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -0.286 5.392 -13.569 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.457 6.288 -12.622 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.513 6.724 -12.864 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.224 7.911 -12.862 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.713 7.418 -10.635 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.031 7.896 -10.523 1.00 0.00 H new ATOM 850 N ILE A 59 0.129 2.697 -12.305 1.00 0.00 N ATOM 851 CA ILE A 59 0.911 1.542 -12.726 1.00 0.00 C ATOM 852 C ILE A 59 0.562 1.131 -14.152 1.00 0.00 C ATOM 853 O ILE A 59 -0.444 1.573 -14.707 1.00 0.00 O ATOM 854 CB ILE A 59 0.689 0.340 -11.788 1.00 0.00 C ATOM 855 CG1 ILE A 59 -0.807 0.104 -11.572 1.00 0.00 C ATOM 856 CG2 ILE A 59 1.393 0.569 -10.459 1.00 0.00 C ATOM 857 CD1 ILE A 59 -1.114 -1.167 -10.811 1.00 0.00 C ATOM 0 H ILE A 59 -0.880 2.579 -12.396 1.00 0.00 H new ATOM 0 HA ILE A 59 1.959 1.838 -12.683 1.00 0.00 H new ATOM 0 HB ILE A 59 1.114 -0.549 -12.253 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.226 0.952 -11.031 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.305 0.067 -12.541 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.227 -0.289 -9.807 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.462 0.693 -10.630 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.995 1.467 -9.986 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.193 -1.270 -10.695 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.725 -2.024 -11.361 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.646 -1.125 -9.828 1.00 0.00 H new ATOM 869 N ARG A 60 1.398 0.281 -14.739 1.00 0.00 N ATOM 870 CA ARG A 60 1.177 -0.191 -16.100 1.00 0.00 C ATOM 871 C ARG A 60 -0.083 -1.047 -16.181 1.00 0.00 C ATOM 872 O ARG A 60 -0.159 -2.115 -15.573 1.00 0.00 O ATOM 873 CB ARG A 60 2.385 -0.994 -16.587 1.00 0.00 C ATOM 874 CG ARG A 60 2.153 -1.700 -17.912 1.00 0.00 C ATOM 875 CD ARG A 60 1.310 -0.855 -18.854 1.00 0.00 C ATOM 876 NE ARG A 60 1.617 -1.125 -20.256 1.00 0.00 N ATOM 877 CZ ARG A 60 0.902 -0.650 -21.270 1.00 0.00 C ATOM 878 NH1 ARG A 60 -0.155 0.117 -21.038 1.00 0.00 N ATOM 879 NH2 ARG A 60 1.245 -0.940 -22.518 1.00 0.00 N ATOM 0 H ARG A 60 2.235 -0.095 -14.293 1.00 0.00 H new ATOM 0 HA ARG A 60 1.045 0.680 -16.743 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.239 -0.324 -16.687 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.647 -1.735 -15.831 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.112 -1.922 -18.380 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.657 -2.654 -17.735 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.254 -1.052 -18.670 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.479 0.201 -18.643 1.00 0.00 H new ATOM 0 HE ARG A 60 2.425 -1.710 -20.468 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.420 0.343 -20.079 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.702 0.481 -21.818 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.058 -1.528 -22.700 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.695 -0.575 -23.296 1.00 0.00 H new ATOM 893 N ILE A 61 -1.068 -0.572 -16.936 1.00 0.00 N ATOM 894 CA ILE A 61 -2.324 -1.294 -17.096 1.00 0.00 C ATOM 895 C ILE A 61 -2.543 -1.699 -18.550 1.00 0.00 C ATOM 896 O ILE A 61 -1.950 -1.139 -19.472 1.00 0.00 O ATOM 897 CB ILE A 61 -3.523 -0.451 -16.623 1.00 0.00 C ATOM 898 CG1 ILE A 61 -3.246 1.037 -16.845 1.00 0.00 C ATOM 899 CG2 ILE A 61 -3.819 -0.728 -15.157 1.00 0.00 C ATOM 900 CD1 ILE A 61 -4.354 1.938 -16.345 1.00 0.00 C ATOM 0 H ILE A 61 -1.020 0.310 -17.446 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.254 -2.189 -16.478 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.399 -0.730 -17.209 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.316 1.304 -16.343 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.096 1.216 -17.910 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.669 -0.125 -14.837 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.054 -1.784 -15.027 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.947 -0.473 -14.555 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.090 2.978 -16.535 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.281 1.698 -16.865 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.490 1.788 -15.274 1.00 0.00 H new ATOM 912 N PRO A 62 -3.417 -2.695 -18.761 1.00 0.00 N ATOM 913 CA PRO A 62 -3.737 -3.195 -20.101 1.00 0.00 C ATOM 914 C PRO A 62 -4.537 -2.188 -20.921 1.00 0.00 C ATOM 915 O PRO A 62 -5.690 -2.434 -21.271 1.00 0.00 O ATOM 916 CB PRO A 62 -4.577 -4.444 -19.822 1.00 0.00 C ATOM 917 CG PRO A 62 -5.176 -4.205 -18.478 1.00 0.00 C ATOM 918 CD PRO A 62 -4.160 -3.408 -17.708 1.00 0.00 C ATOM 0 HA PRO A 62 -2.839 -3.390 -20.688 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.348 -4.580 -20.580 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.962 -5.344 -19.827 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.117 -3.661 -18.561 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.396 -5.147 -17.975 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.635 -2.716 -17.013 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.506 -4.052 -17.120 1.00 0.00 H new ATOM 926 N GLY A 63 -3.915 -1.052 -21.224 1.00 0.00 N ATOM 927 CA GLY A 63 -4.584 -0.025 -22.000 1.00 0.00 C ATOM 928 C GLY A 63 -3.692 0.561 -23.077 1.00 0.00 C ATOM 929 O GLY A 63 -2.545 0.144 -23.238 1.00 0.00 O ATOM 0 H GLY A 63 -2.960 -0.825 -20.946 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.477 -0.447 -22.462 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.915 0.772 -21.334 1.00 0.00 H new ATOM 933 N LYS A 64 -4.220 1.530 -23.817 1.00 0.00 N ATOM 934 CA LYS A 64 -3.465 2.176 -24.884 1.00 0.00 C ATOM 935 C LYS A 64 -2.611 3.314 -24.335 1.00 0.00 C ATOM 936 O LYS A 64 -3.046 4.064 -23.460 1.00 0.00 O ATOM 937 CB LYS A 64 -4.415 2.709 -25.959 1.00 0.00 C ATOM 938 CG LYS A 64 -3.731 3.008 -27.281 1.00 0.00 C ATOM 939 CD LYS A 64 -3.305 1.733 -27.990 1.00 0.00 C ATOM 940 CE LYS A 64 -4.460 0.751 -28.113 1.00 0.00 C ATOM 941 NZ LYS A 64 -5.709 1.419 -28.574 1.00 0.00 N ATOM 0 H LYS A 64 -5.169 1.885 -23.697 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.804 1.432 -25.329 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.207 1.979 -26.126 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.892 3.618 -25.592 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.408 3.573 -27.922 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.858 3.637 -27.106 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.926 1.977 -28.983 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.486 1.267 -27.442 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.191 -0.040 -28.813 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.637 0.276 -27.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.269 0.753 -29.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.266 1.721 -27.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.466 2.250 -29.151 1.00 0.00 H new ATOM 955 N CYS A 65 -1.395 3.440 -24.855 1.00 0.00 N ATOM 956 CA CYS A 65 -0.480 4.487 -24.418 1.00 0.00 C ATOM 957 C CYS A 65 -0.578 5.709 -25.327 1.00 0.00 C ATOM 958 O CYS A 65 -1.067 5.621 -26.454 1.00 0.00 O ATOM 959 CB CYS A 65 0.958 3.964 -24.403 1.00 0.00 C ATOM 960 SG CYS A 65 2.225 5.268 -24.518 1.00 0.00 S ATOM 0 H CYS A 65 -1.020 2.829 -25.581 1.00 0.00 H new ATOM 0 HA CYS A 65 -0.763 4.783 -23.408 1.00 0.00 H new ATOM 0 HB2 CYS A 65 1.118 3.397 -23.486 1.00 0.00 H new ATOM 0 HB3 CYS A 65 1.090 3.270 -25.233 1.00 0.00 H new ATOM 965 N HIS A 66 -0.110 6.849 -24.829 1.00 0.00 N ATOM 966 CA HIS A 66 -0.145 8.090 -25.596 1.00 0.00 C ATOM 967 C HIS A 66 0.020 7.811 -27.087 1.00 0.00 C ATOM 968 O HIS A 66 -0.498 8.549 -27.926 1.00 0.00 O ATOM 969 CB HIS A 66 0.954 9.040 -25.118 1.00 0.00 C ATOM 970 CG HIS A 66 2.334 8.596 -25.495 1.00 0.00 C ATOM 971 ND1 HIS A 66 2.751 8.463 -26.803 1.00 0.00 N ATOM 972 CD2 HIS A 66 3.396 8.257 -24.727 1.00 0.00 C ATOM 973 CE1 HIS A 66 4.009 8.059 -26.822 1.00 0.00 C ATOM 974 NE2 HIS A 66 4.424 7.927 -25.575 1.00 0.00 N ATOM 0 H HIS A 66 0.298 6.940 -23.898 1.00 0.00 H new ATOM 0 HA HIS A 66 -1.116 8.560 -25.437 1.00 0.00 H new ATOM 0 HB2 HIS A 66 0.773 10.031 -25.535 1.00 0.00 H new ATOM 0 HB3 HIS A 66 0.895 9.135 -24.034 1.00 0.00 H new ATOM 0 HD2 HIS A 66 3.429 8.248 -23.648 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.598 7.869 -27.707 1.00 0.00 H new ATOM 0 HE2 HIS A 66 5.356 7.629 -25.289 1.00 0.00 H new TER 982 HIS A 66