USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=12 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 Single : A 1 ASP N :NH3+ -173:sc= 0 (180deg=-0.064) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -156:sc= -0.182 (180deg=-0.825) USER MOD Single : A 10 LYS NZ :NH3+ -161:sc= 1.07 (180deg=0.521) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -50:sc= -1.28! USER MOD Single : A 32 TYR OH : rot -85:sc= 0.104 USER MOD Single : A 33 ASN : amide:sc= 0.00652 K(o=0.0065,f=-3.5) USER MOD Single : A 34 ASN : amide:sc= -0.62 X(o=-0.62,f=-0.92) USER MOD Single : A 35 GLN : amide:sc= -0.595 X(o=-0.6,f=-0.94) USER MOD Single : A 36 THR OG1 : rot 149:sc= 1.14 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.17) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 159:sc= -4.92! USER MOD Single : A 50 ASN : amide:sc= -2.35! C(o=-2.4!,f=-5.8!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.56 K(o=-1.6,f=-5.5!) USER MOD Single : A 53 ASN : amide:sc= -7.98! C(o=-8!,f=-14!) USER MOD Single : A 56 THR OG1 : rot -173:sc= -1.55! USER MOD Single : A 61 LYS NZ :NH3+ -167:sc= -1.42 (180deg=-1.81) USER MOD Single : A 62 ASN : amide:sc= -0.306 K(o=-0.31,f=-1.7) USER MOD Single : A 69 ASN : amide:sc= -0.0105 X(o=-0.011,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.345 0.000 0.000 1.00 1.00 N ATOM 2 CA ASP A 1 2.115 0.000 -1.232 1.00 1.00 C ATOM 3 C ASP A 1 3.228 1.045 -1.133 1.00 1.00 C ATOM 4 O ASP A 1 2.920 2.210 -0.843 1.00 1.00 O ATOM 5 CB ASP A 1 1.236 0.359 -2.431 1.00 1.00 C ATOM 6 CG ASP A 1 -0.034 -0.482 -2.576 1.00 1.00 C ATOM 7 OD1 ASP A 1 0.001 -1.717 -2.466 1.00 1.00 O ATOM 8 OD2 ASP A 1 -1.109 0.190 -2.817 1.00 1.00 O ATOM 0 H1 ASP A 1 0.665 -0.787 -0.016 1.00 1.00 H new ATOM 0 H2 ASP A 1 1.987 -0.113 0.811 1.00 1.00 H new ATOM 0 H3 ASP A 1 0.831 0.900 0.088 1.00 1.00 H new ATOM 0 HA ASP A 1 2.526 -1.000 -1.372 1.00 1.00 H new ATOM 0 HB2 ASP A 1 0.952 1.408 -2.353 1.00 1.00 H new ATOM 0 HB3 ASP A 1 1.828 0.256 -3.340 1.00 1.00 H new ATOM 13 N TYR A 2 4.480 0.615 -1.371 1.00 1.00 N ATOM 14 CA TYR A 2 5.583 1.557 -1.288 1.00 1.00 C ATOM 15 C TYR A 2 5.834 1.915 0.178 1.00 1.00 C ATOM 16 O TYR A 2 6.880 1.509 0.706 1.00 1.00 O ATOM 17 CB TYR A 2 5.270 2.803 -2.136 1.00 1.00 C ATOM 18 CG TYR A 2 6.444 3.321 -2.956 1.00 1.00 C ATOM 19 CD1 TYR A 2 6.749 2.747 -4.212 1.00 1.00 C ATOM 20 CD2 TYR A 2 7.240 4.379 -2.460 1.00 1.00 C ATOM 21 CE1 TYR A 2 7.840 3.228 -4.966 1.00 1.00 C ATOM 22 CE2 TYR A 2 8.331 4.860 -3.214 1.00 1.00 C ATOM 23 CZ TYR A 2 8.632 4.286 -4.468 1.00 1.00 C ATOM 24 OH TYR A 2 9.688 4.756 -5.196 1.00 1.00 O ATOM 0 H TYR A 2 4.737 -0.342 -1.612 1.00 1.00 H new ATOM 0 HA TYR A 2 6.492 1.107 -1.687 1.00 1.00 H new ATOM 0 HB2 TYR A 2 4.447 2.570 -2.811 1.00 1.00 H new ATOM 0 HB3 TYR A 2 4.925 3.599 -1.476 1.00 1.00 H new ATOM 0 HD1 TYR A 2 6.145 1.938 -4.595 1.00 1.00 H new ATOM 0 HD2 TYR A 2 7.012 4.820 -1.501 1.00 1.00 H new ATOM 0 HE1 TYR A 2 8.070 2.787 -5.925 1.00 1.00 H new ATOM 0 HE2 TYR A 2 8.937 5.668 -2.831 1.00 1.00 H new ATOM 0 HH TYR A 2 10.124 5.485 -4.707 1.00 1.00 H new ATOM 34 N LYS A 3 4.898 2.659 0.793 1.00 1.00 N ATOM 35 CA LYS A 3 5.031 3.071 2.180 1.00 1.00 C ATOM 36 C LYS A 3 6.065 4.195 2.277 1.00 1.00 C ATOM 37 O LYS A 3 5.702 5.293 2.722 1.00 1.00 O ATOM 38 CB LYS A 3 5.347 1.866 3.069 1.00 1.00 C ATOM 39 CG LYS A 3 4.354 0.729 2.823 1.00 1.00 C ATOM 40 CD LYS A 3 3.330 0.640 3.957 1.00 1.00 C ATOM 41 CE LYS A 3 2.032 1.355 3.580 1.00 1.00 C ATOM 42 NZ LYS A 3 0.871 0.649 4.148 1.00 1.00 N ATOM 0 H LYS A 3 4.043 2.982 0.340 1.00 1.00 H new ATOM 0 HA LYS A 3 4.088 3.472 2.550 1.00 1.00 H new ATOM 0 HB2 LYS A 3 6.361 1.518 2.870 1.00 1.00 H new ATOM 0 HB3 LYS A 3 5.313 2.164 4.117 1.00 1.00 H new ATOM 0 HG2 LYS A 3 3.840 0.889 1.875 1.00 1.00 H new ATOM 0 HG3 LYS A 3 4.891 -0.216 2.738 1.00 1.00 H new ATOM 0 HD2 LYS A 3 3.121 -0.406 4.182 1.00 1.00 H new ATOM 0 HD3 LYS A 3 3.745 1.084 4.862 1.00 1.00 H new ATOM 0 HE2 LYS A 3 2.056 2.381 3.946 1.00 1.00 H new ATOM 0 HE3 LYS A 3 1.939 1.405 2.495 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -0.002 1.147 3.883 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 0.841 -0.323 3.779 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 0.953 0.623 5.184 1.00 1.00 H new ATOM 56 N ASP A 4 7.312 3.902 1.867 1.00 1.00 N ATOM 57 CA ASP A 4 8.386 4.881 1.907 1.00 1.00 C ATOM 58 C ASP A 4 7.823 6.263 1.572 1.00 1.00 C ATOM 59 O ASP A 4 7.379 6.458 0.431 1.00 1.00 O ATOM 60 CB ASP A 4 9.472 4.550 0.881 1.00 1.00 C ATOM 61 CG ASP A 4 10.858 5.111 1.204 1.00 1.00 C ATOM 62 OD1 ASP A 4 11.378 4.680 2.303 1.00 1.00 O ATOM 63 OD2 ASP A 4 11.414 5.918 0.443 1.00 1.00 O ATOM 0 H ASP A 4 7.590 2.990 1.505 1.00 1.00 H new ATOM 0 HA ASP A 4 8.819 4.866 2.907 1.00 1.00 H new ATOM 0 HB2 ASP A 4 9.547 3.466 0.790 1.00 1.00 H new ATOM 0 HB3 ASP A 4 9.160 4.930 -0.092 1.00 1.00 H new ATOM 68 N ASP A 5 7.852 7.180 2.556 1.00 1.00 N ATOM 69 CA ASP A 5 7.349 8.530 2.365 1.00 1.00 C ATOM 70 C ASP A 5 5.819 8.501 2.345 1.00 1.00 C ATOM 71 O ASP A 5 5.205 9.144 3.208 1.00 1.00 O ATOM 72 CB ASP A 5 7.829 9.115 1.036 1.00 1.00 C ATOM 73 CG ASP A 5 7.730 10.637 0.926 1.00 1.00 C ATOM 74 OD1 ASP A 5 7.837 11.358 1.929 1.00 1.00 O ATOM 75 OD2 ASP A 5 7.532 11.086 -0.267 1.00 1.00 O ATOM 0 H ASP A 5 8.222 6.999 3.489 1.00 1.00 H new ATOM 0 HA ASP A 5 7.720 9.147 3.184 1.00 1.00 H new ATOM 0 HB2 ASP A 5 8.867 8.821 0.881 1.00 1.00 H new ATOM 0 HB3 ASP A 5 7.248 8.669 0.229 1.00 1.00 H new ATOM 80 N ASP A 6 5.244 7.767 1.375 1.00 1.00 N ATOM 81 CA ASP A 6 3.801 7.658 1.246 1.00 1.00 C ATOM 82 C ASP A 6 3.239 6.919 2.462 1.00 1.00 C ATOM 83 O ASP A 6 3.264 5.679 2.462 1.00 1.00 O ATOM 84 CB ASP A 6 3.419 6.866 -0.007 1.00 1.00 C ATOM 85 CG ASP A 6 3.944 5.430 -0.049 1.00 1.00 C ATOM 86 OD1 ASP A 6 5.228 5.320 -0.109 1.00 1.00 O ATOM 87 OD2 ASP A 6 3.165 4.465 -0.026 1.00 1.00 O ATOM 0 H ASP A 6 5.768 7.244 0.673 1.00 1.00 H new ATOM 0 HA ASP A 6 3.391 8.666 1.175 1.00 1.00 H new ATOM 0 HB2 ASP A 6 2.332 6.842 -0.086 1.00 1.00 H new ATOM 0 HB3 ASP A 6 3.791 7.399 -0.882 1.00 1.00 H new ATOM 92 N ASP A 7 2.751 7.681 3.457 1.00 1.00 N ATOM 93 CA ASP A 7 2.190 7.102 4.666 1.00 1.00 C ATOM 94 C ASP A 7 0.997 7.945 5.123 1.00 1.00 C ATOM 95 O ASP A 7 0.709 7.953 6.329 1.00 1.00 O ATOM 96 CB ASP A 7 3.218 7.084 5.798 1.00 1.00 C ATOM 97 CG ASP A 7 4.244 5.951 5.722 1.00 1.00 C ATOM 98 OD1 ASP A 7 4.234 5.280 4.621 1.00 1.00 O ATOM 99 OD2 ASP A 7 5.013 5.722 6.668 1.00 1.00 O ATOM 0 H ASP A 7 2.739 8.701 3.436 1.00 1.00 H new ATOM 0 HA ASP A 7 1.886 6.080 4.440 1.00 1.00 H new ATOM 0 HB2 ASP A 7 3.750 8.036 5.801 1.00 1.00 H new ATOM 0 HB3 ASP A 7 2.689 7.012 6.748 1.00 1.00 H new ATOM 104 N LYS A 8 0.340 8.626 4.168 1.00 1.00 N ATOM 105 CA LYS A 8 -0.809 9.463 4.471 1.00 1.00 C ATOM 106 C LYS A 8 -1.334 10.089 3.178 1.00 1.00 C ATOM 107 O LYS A 8 -1.103 11.288 2.967 1.00 1.00 O ATOM 108 CB LYS A 8 -0.454 10.488 5.550 1.00 1.00 C ATOM 109 CG LYS A 8 0.729 11.356 5.115 1.00 1.00 C ATOM 110 CD LYS A 8 1.909 11.198 6.076 1.00 1.00 C ATOM 111 CE LYS A 8 1.493 11.526 7.512 1.00 1.00 C ATOM 112 NZ LYS A 8 0.617 12.708 7.537 1.00 1.00 N ATOM 0 H LYS A 8 0.595 8.606 3.180 1.00 1.00 H new ATOM 0 HA LYS A 8 -1.619 8.863 4.887 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -1.318 11.121 5.754 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -0.209 9.973 6.479 1.00 1.00 H new ATOM 0 HG2 LYS A 8 1.037 11.078 4.107 1.00 1.00 H new ATOM 0 HG3 LYS A 8 0.423 12.402 5.078 1.00 1.00 H new ATOM 0 HD2 LYS A 8 2.288 10.177 6.027 1.00 1.00 H new ATOM 0 HD3 LYS A 8 2.723 11.855 5.770 1.00 1.00 H new ATOM 0 HE2 LYS A 8 0.975 10.673 7.951 1.00 1.00 H new ATOM 0 HE3 LYS A 8 2.378 11.709 8.121 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 0.669 13.159 8.473 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 0.925 13.384 6.809 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -0.363 12.418 7.347 1.00 1.00 H new ATOM 126 N LEU A 9 -2.019 9.278 2.352 1.00 1.00 N ATOM 127 CA LEU A 9 -2.570 9.750 1.093 1.00 1.00 C ATOM 128 C LEU A 9 -4.028 10.164 1.302 1.00 1.00 C ATOM 129 O LEU A 9 -4.265 11.149 2.017 1.00 1.00 O ATOM 130 CB LEU A 9 -2.382 8.698 -0.002 1.00 1.00 C ATOM 131 CG LEU A 9 -0.939 8.438 -0.441 1.00 1.00 C ATOM 132 CD1 LEU A 9 -0.538 9.369 -1.587 1.00 1.00 C ATOM 133 CD2 LEU A 9 0.022 8.542 0.745 1.00 1.00 C ATOM 0 H LEU A 9 -2.198 8.293 2.545 1.00 1.00 H new ATOM 0 HA LEU A 9 -2.033 10.634 0.750 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -2.810 7.758 0.347 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -2.957 9.005 -0.876 1.00 1.00 H new ATOM 0 HG LEU A 9 -0.876 7.417 -0.818 1.00 1.00 H new ATOM 0 HD11 LEU A 9 0.492 9.163 -1.880 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -1.197 9.203 -2.439 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -0.622 10.405 -1.260 1.00 1.00 H new ATOM 0 HD21 LEU A 9 1.040 8.353 0.406 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -0.038 9.542 1.175 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -0.251 7.805 1.500 1.00 1.00 H new ATOM 145 N LYS A 10 -4.961 9.416 0.686 1.00 1.00 N ATOM 146 CA LYS A 10 -6.380 9.704 0.804 1.00 1.00 C ATOM 147 C LYS A 10 -7.072 8.550 1.533 1.00 1.00 C ATOM 148 O LYS A 10 -6.494 7.454 1.583 1.00 1.00 O ATOM 149 CB LYS A 10 -6.981 10.011 -0.569 1.00 1.00 C ATOM 150 CG LYS A 10 -7.653 11.385 -0.578 1.00 1.00 C ATOM 151 CD LYS A 10 -8.997 11.333 -1.308 1.00 1.00 C ATOM 152 CE LYS A 10 -8.875 11.900 -2.724 1.00 1.00 C ATOM 153 NZ LYS A 10 -10.194 12.310 -3.231 1.00 1.00 N ATOM 0 H LYS A 10 -4.745 8.608 0.102 1.00 1.00 H new ATOM 0 HA LYS A 10 -6.537 10.601 1.403 1.00 1.00 H new ATOM 0 HB2 LYS A 10 -6.199 9.980 -1.328 1.00 1.00 H new ATOM 0 HB3 LYS A 10 -7.710 9.244 -0.831 1.00 1.00 H new ATOM 0 HG2 LYS A 10 -7.804 11.727 0.446 1.00 1.00 H new ATOM 0 HG3 LYS A 10 -7.000 12.110 -1.063 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -9.350 10.303 -1.354 1.00 1.00 H new ATOM 0 HD3 LYS A 10 -9.741 11.900 -0.748 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -8.198 12.754 -2.723 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -8.441 11.150 -3.386 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -10.160 12.385 -4.268 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -10.906 11.603 -2.958 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -10.450 13.233 -2.826 1.00 1.00 H new ATOM 167 N PRO A 11 -8.274 8.814 2.075 1.00 1.00 N ATOM 168 CA PRO A 11 -9.061 7.830 2.799 1.00 1.00 C ATOM 169 C PRO A 11 -9.705 6.828 1.838 1.00 1.00 C ATOM 170 O PRO A 11 -10.644 7.214 1.127 1.00 1.00 O ATOM 171 CB PRO A 11 -10.080 8.641 3.583 1.00 1.00 C ATOM 172 CG PRO A 11 -10.130 10.005 2.915 1.00 1.00 C ATOM 173 CD PRO A 11 -8.925 10.118 1.994 1.00 1.00 C ATOM 0 HA PRO A 11 -8.457 7.219 3.470 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -11.059 8.161 3.565 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -9.788 8.729 4.629 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -11.055 10.119 2.349 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -10.114 10.797 3.663 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -9.228 10.347 0.972 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -8.255 10.916 2.314 1.00 1.00 H new ATOM 181 N ASP A 12 -9.197 5.583 1.837 1.00 1.00 N ATOM 182 CA ASP A 12 -9.719 4.539 0.971 1.00 1.00 C ATOM 183 C ASP A 12 -11.168 4.237 1.361 1.00 1.00 C ATOM 184 O ASP A 12 -11.947 3.851 0.478 1.00 1.00 O ATOM 185 CB ASP A 12 -8.911 3.248 1.117 1.00 1.00 C ATOM 186 CG ASP A 12 -8.418 2.950 2.534 1.00 1.00 C ATOM 187 OD1 ASP A 12 -7.335 3.399 2.941 1.00 1.00 O ATOM 188 OD2 ASP A 12 -9.205 2.213 3.242 1.00 1.00 O ATOM 0 H ASP A 12 -8.424 5.286 2.432 1.00 1.00 H new ATOM 0 HA ASP A 12 -9.654 4.890 -0.059 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -9.525 2.413 0.779 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -8.049 3.300 0.452 1.00 1.00 H new ATOM 193 N PHE A 13 -11.493 4.416 2.653 1.00 1.00 N ATOM 194 CA PHE A 13 -12.835 4.165 3.151 1.00 1.00 C ATOM 195 C PHE A 13 -13.832 5.030 2.378 1.00 1.00 C ATOM 196 O PHE A 13 -14.997 4.625 2.259 1.00 1.00 O ATOM 197 CB PHE A 13 -12.886 4.485 4.657 1.00 1.00 C ATOM 198 CG PHE A 13 -12.824 5.969 4.993 1.00 1.00 C ATOM 199 CD1 PHE A 13 -13.930 6.810 4.728 1.00 1.00 C ATOM 200 CD2 PHE A 13 -11.653 6.517 5.568 1.00 1.00 C ATOM 201 CE1 PHE A 13 -13.867 8.185 5.036 1.00 1.00 C ATOM 202 CE2 PHE A 13 -11.591 7.893 5.876 1.00 1.00 C ATOM 203 CZ PHE A 13 -12.698 8.727 5.611 1.00 1.00 C ATOM 0 H PHE A 13 -10.835 4.735 3.364 1.00 1.00 H new ATOM 0 HA PHE A 13 -13.099 3.117 3.007 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -13.804 4.070 5.072 1.00 1.00 H new ATOM 0 HB3 PHE A 13 -12.056 3.979 5.151 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -14.826 6.398 4.288 1.00 1.00 H new ATOM 0 HD2 PHE A 13 -10.804 5.881 5.772 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -14.714 8.823 4.832 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -10.696 8.308 6.315 1.00 1.00 H new ATOM 0 HZ PHE A 13 -12.651 9.780 5.848 1.00 1.00 H new ATOM 213 N CYS A 14 -13.362 6.186 1.875 1.00 1.00 N ATOM 214 CA CYS A 14 -14.207 7.098 1.121 1.00 1.00 C ATOM 215 C CYS A 14 -14.634 6.427 -0.185 1.00 1.00 C ATOM 216 O CYS A 14 -15.777 6.644 -0.613 1.00 1.00 O ATOM 217 CB CYS A 14 -13.497 8.430 0.873 1.00 1.00 C ATOM 218 SG CYS A 14 -13.590 9.611 2.250 1.00 1.00 S ATOM 0 H CYS A 14 -12.398 6.501 1.983 1.00 1.00 H new ATOM 0 HA CYS A 14 -15.101 7.326 1.702 1.00 1.00 H new ATOM 0 HB2 CYS A 14 -12.448 8.231 0.654 1.00 1.00 H new ATOM 0 HB3 CYS A 14 -13.926 8.894 -0.015 1.00 1.00 H new ATOM 224 N PHE A 15 -13.724 5.638 -0.784 1.00 1.00 N ATOM 225 CA PHE A 15 -14.005 4.944 -2.029 1.00 1.00 C ATOM 226 C PHE A 15 -14.672 3.602 -1.720 1.00 1.00 C ATOM 227 O PHE A 15 -14.871 2.813 -2.655 1.00 1.00 O ATOM 228 CB PHE A 15 -12.689 4.735 -2.803 1.00 1.00 C ATOM 229 CG PHE A 15 -11.775 5.952 -2.840 1.00 1.00 C ATOM 230 CD1 PHE A 15 -12.293 7.227 -3.168 1.00 1.00 C ATOM 231 CD2 PHE A 15 -10.397 5.813 -2.552 1.00 1.00 C ATOM 232 CE1 PHE A 15 -11.442 8.351 -3.206 1.00 1.00 C ATOM 233 CE2 PHE A 15 -9.547 6.938 -2.589 1.00 1.00 C ATOM 234 CZ PHE A 15 -10.069 8.207 -2.916 1.00 1.00 C ATOM 0 H PHE A 15 -12.788 5.472 -0.415 1.00 1.00 H new ATOM 0 HA PHE A 15 -14.682 5.536 -2.645 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -12.147 3.903 -2.353 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -12.927 4.444 -3.826 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -13.344 7.340 -3.390 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -9.994 4.842 -2.303 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -11.842 9.322 -3.457 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -8.496 6.828 -2.367 1.00 1.00 H new ATOM 0 HZ PHE A 15 -9.418 9.068 -2.944 1.00 1.00 H new ATOM 244 N LEU A 16 -14.999 3.374 -0.435 1.00 1.00 N ATOM 245 CA LEU A 16 -15.637 2.139 -0.011 1.00 1.00 C ATOM 246 C LEU A 16 -17.150 2.261 -0.198 1.00 1.00 C ATOM 247 O LEU A 16 -17.709 3.303 0.176 1.00 1.00 O ATOM 248 CB LEU A 16 -15.221 1.785 1.418 1.00 1.00 C ATOM 249 CG LEU A 16 -14.575 0.411 1.608 1.00 1.00 C ATOM 250 CD1 LEU A 16 -13.230 0.333 0.883 1.00 1.00 C ATOM 251 CD2 LEU A 16 -14.446 0.065 3.092 1.00 1.00 C ATOM 0 H LEU A 16 -14.827 4.037 0.320 1.00 1.00 H new ATOM 0 HA LEU A 16 -15.305 1.306 -0.631 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -14.523 2.544 1.771 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -16.103 1.841 2.056 1.00 1.00 H new ATOM 0 HG LEU A 16 -15.228 -0.338 1.159 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -12.792 -0.654 1.034 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -13.381 0.504 -0.183 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -12.558 1.093 1.281 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -13.984 -0.916 3.198 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -13.827 0.813 3.588 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -15.435 0.052 3.550 1.00 1.00 H new ATOM 263 N GLU A 17 -17.774 1.213 -0.764 1.00 1.00 N ATOM 264 CA GLU A 17 -19.208 1.204 -0.998 1.00 1.00 C ATOM 265 C GLU A 17 -19.926 1.725 0.249 1.00 1.00 C ATOM 266 O GLU A 17 -19.280 1.828 1.302 1.00 1.00 O ATOM 267 CB GLU A 17 -19.707 -0.193 -1.374 1.00 1.00 C ATOM 268 CG GLU A 17 -18.902 -1.276 -0.653 1.00 1.00 C ATOM 269 CD GLU A 17 -19.722 -2.559 -0.503 1.00 1.00 C ATOM 270 OE1 GLU A 17 -20.060 -3.200 -1.509 1.00 1.00 O ATOM 271 OE2 GLU A 17 -20.005 -2.886 0.712 1.00 1.00 O ATOM 0 H GLU A 17 -17.296 0.364 -1.065 1.00 1.00 H new ATOM 0 HA GLU A 17 -19.429 1.858 -1.841 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -20.762 -0.287 -1.117 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -19.628 -0.333 -2.452 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -17.989 -1.487 -1.210 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -18.600 -0.916 0.330 1.00 1.00 H new ATOM 278 N GLU A 18 -21.227 2.038 0.108 1.00 1.00 N ATOM 279 CA GLU A 18 -22.022 2.543 1.214 1.00 1.00 C ATOM 280 C GLU A 18 -22.617 1.366 1.988 1.00 1.00 C ATOM 281 O GLU A 18 -23.100 0.422 1.346 1.00 1.00 O ATOM 282 CB GLU A 18 -23.119 3.493 0.730 1.00 1.00 C ATOM 283 CG GLU A 18 -24.390 2.722 0.367 1.00 1.00 C ATOM 284 CD GLU A 18 -25.178 3.447 -0.726 1.00 1.00 C ATOM 285 OE1 GLU A 18 -25.762 4.533 -0.348 1.00 1.00 O ATOM 286 OE2 GLU A 18 -25.219 2.980 -1.874 1.00 1.00 O ATOM 0 H GLU A 18 -21.740 1.945 -0.769 1.00 1.00 H new ATOM 0 HA GLU A 18 -21.375 3.118 1.876 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -23.342 4.223 1.508 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -22.766 4.050 -0.138 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -24.127 1.720 0.027 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -25.014 2.605 1.253 1.00 1.00 H new ATOM 293 N ASP A 19 -22.573 1.443 3.330 1.00 1.00 N ATOM 294 CA ASP A 19 -23.104 0.391 4.180 1.00 1.00 C ATOM 295 C ASP A 19 -23.991 1.013 5.261 1.00 1.00 C ATOM 296 O ASP A 19 -23.445 1.625 6.190 1.00 1.00 O ATOM 297 CB ASP A 19 -21.979 -0.377 4.876 1.00 1.00 C ATOM 298 CG ASP A 19 -22.328 -1.809 5.284 1.00 1.00 C ATOM 299 OD1 ASP A 19 -23.235 -2.433 4.712 1.00 1.00 O ATOM 300 OD2 ASP A 19 -21.617 -2.292 6.246 1.00 1.00 O ATOM 0 H ASP A 19 -22.172 2.230 3.840 1.00 1.00 H new ATOM 0 HA ASP A 19 -23.673 -0.294 3.551 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -21.115 -0.405 4.213 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -21.680 0.175 5.767 1.00 1.00 H new ATOM 305 N PRO A 20 -25.318 0.848 5.120 1.00 1.00 N ATOM 306 CA PRO A 20 -26.296 1.374 6.056 1.00 1.00 C ATOM 307 C PRO A 20 -26.441 0.457 7.272 1.00 1.00 C ATOM 308 O PRO A 20 -27.433 0.597 8.002 1.00 1.00 O ATOM 309 CB PRO A 20 -27.580 1.503 5.253 1.00 1.00 C ATOM 310 CG PRO A 20 -27.400 0.613 4.034 1.00 1.00 C ATOM 311 CD PRO A 20 -25.927 0.253 3.933 1.00 1.00 C ATOM 0 HA PRO A 20 -26.003 2.338 6.472 1.00 1.00 H new ATOM 0 HB2 PRO A 20 -28.442 1.189 5.842 1.00 1.00 H new ATOM 0 HB3 PRO A 20 -27.754 2.538 4.959 1.00 1.00 H new ATOM 0 HG2 PRO A 20 -28.008 -0.287 4.126 1.00 1.00 H new ATOM 0 HG3 PRO A 20 -27.729 1.129 3.132 1.00 1.00 H new ATOM 0 HD2 PRO A 20 -25.784 -0.827 3.914 1.00 1.00 H new ATOM 0 HD3 PRO A 20 -25.484 0.650 3.019 1.00 1.00 H new ATOM 319 N GLY A 21 -25.464 -0.448 7.463 1.00 1.00 N ATOM 320 CA GLY A 21 -25.483 -1.377 8.580 1.00 1.00 C ATOM 321 C GLY A 21 -26.800 -2.155 8.568 1.00 1.00 C ATOM 322 O GLY A 21 -27.355 -2.358 7.478 1.00 1.00 O ATOM 0 H GLY A 21 -24.655 -0.546 6.850 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -24.640 -2.065 8.510 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -25.376 -0.836 9.520 1.00 1.00 H new ATOM 326 N ILE A 22 -27.265 -2.570 9.760 1.00 1.00 N ATOM 327 CA ILE A 22 -28.504 -3.319 9.885 1.00 1.00 C ATOM 328 C ILE A 22 -29.588 -2.409 10.467 1.00 1.00 C ATOM 329 O ILE A 22 -30.476 -1.990 9.710 1.00 1.00 O ATOM 330 CB ILE A 22 -28.278 -4.599 10.691 1.00 1.00 C ATOM 331 CG1 ILE A 22 -26.795 -4.976 10.717 1.00 1.00 C ATOM 332 CG2 ILE A 22 -29.150 -5.740 10.163 1.00 1.00 C ATOM 333 CD1 ILE A 22 -26.613 -6.468 11.004 1.00 1.00 C ATOM 0 H ILE A 22 -26.792 -2.393 10.646 1.00 1.00 H new ATOM 0 HA ILE A 22 -28.852 -3.645 8.905 1.00 1.00 H new ATOM 0 HB ILE A 22 -28.581 -4.412 11.721 1.00 1.00 H new ATOM 0 HG12 ILE A 22 -26.336 -4.728 9.760 1.00 1.00 H new ATOM 0 HG13 ILE A 22 -26.281 -4.390 11.479 1.00 1.00 H new ATOM 0 HG21 ILE A 22 -28.970 -6.638 10.753 1.00 1.00 H new ATOM 0 HG22 ILE A 22 -30.201 -5.460 10.239 1.00 1.00 H new ATOM 0 HG23 ILE A 22 -28.901 -5.935 9.120 1.00 1.00 H new ATOM 0 HD11 ILE A 22 -25.550 -6.709 11.017 1.00 1.00 H new ATOM 0 HD12 ILE A 22 -27.051 -6.708 11.973 1.00 1.00 H new ATOM 0 HD13 ILE A 22 -27.108 -7.051 10.227 1.00 1.00 H new ATOM 345 N CYS A 23 -29.496 -2.126 11.779 1.00 1.00 N ATOM 346 CA CYS A 23 -30.461 -1.274 12.453 1.00 1.00 C ATOM 347 C CYS A 23 -30.943 -0.192 11.484 1.00 1.00 C ATOM 348 O CYS A 23 -30.108 0.598 11.019 1.00 1.00 O ATOM 349 CB CYS A 23 -29.871 -0.675 13.731 1.00 1.00 C ATOM 350 SG CYS A 23 -28.060 -0.523 13.736 1.00 1.00 S ATOM 0 H CYS A 23 -28.757 -2.482 12.385 1.00 1.00 H new ATOM 0 HA CYS A 23 -31.319 -1.872 12.759 1.00 1.00 H new ATOM 0 HB2 CYS A 23 -30.305 0.313 13.886 1.00 1.00 H new ATOM 0 HB3 CYS A 23 -30.172 -1.292 14.577 1.00 1.00 H new ATOM 356 N ARG A 24 -32.259 -0.177 11.205 1.00 1.00 N ATOM 357 CA ARG A 24 -32.843 0.799 10.301 1.00 1.00 C ATOM 358 C ARG A 24 -32.602 2.206 10.852 1.00 1.00 C ATOM 359 O ARG A 24 -31.434 2.569 11.054 1.00 1.00 O ATOM 360 CB ARG A 24 -34.346 0.577 10.126 1.00 1.00 C ATOM 361 CG ARG A 24 -35.039 0.426 11.482 1.00 1.00 C ATOM 362 CD ARG A 24 -35.569 -0.996 11.671 1.00 1.00 C ATOM 363 NE ARG A 24 -36.410 -1.066 12.887 1.00 1.00 N ATOM 364 CZ ARG A 24 -35.924 -1.032 14.146 1.00 1.00 C ATOM 365 NH1 ARG A 24 -34.601 -0.929 14.329 1.00 1.00 N ATOM 366 NH2 ARG A 24 -36.753 -1.099 15.197 1.00 1.00 N ATOM 0 H ARG A 24 -32.930 -0.836 11.600 1.00 1.00 H new ATOM 0 HA ARG A 24 -32.368 0.684 9.327 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -34.780 1.416 9.583 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -34.518 -0.315 9.524 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -34.338 0.666 12.281 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -35.862 1.137 11.555 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -36.151 -1.295 10.799 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -34.737 -1.695 11.754 1.00 1.00 H new ATOM 0 HE ARG A 24 -37.420 -1.145 12.766 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -33.977 -0.878 13.524 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -34.217 -0.902 15.274 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -37.759 -1.176 15.049 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -36.378 -1.073 16.145 1.00 1.00 H new ATOM 380 N GLY A 25 -33.694 2.958 11.081 1.00 1.00 N ATOM 381 CA GLY A 25 -33.602 4.311 11.604 1.00 1.00 C ATOM 382 C GLY A 25 -32.713 5.149 10.682 1.00 1.00 C ATOM 383 O GLY A 25 -31.686 5.657 11.156 1.00 1.00 O ATOM 0 H GLY A 25 -34.648 2.640 10.908 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -34.595 4.755 11.673 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -33.189 4.296 12.612 1.00 1.00 H new ATOM 387 N TYR A 26 -33.118 5.275 9.406 1.00 1.00 N ATOM 388 CA TYR A 26 -32.316 6.056 8.479 1.00 1.00 C ATOM 389 C TYR A 26 -31.956 7.395 9.126 1.00 1.00 C ATOM 390 O TYR A 26 -32.783 7.915 9.888 1.00 1.00 O ATOM 391 CB TYR A 26 -33.083 6.245 7.158 1.00 1.00 C ATOM 392 CG TYR A 26 -33.396 4.952 6.418 1.00 1.00 C ATOM 393 CD1 TYR A 26 -32.560 3.824 6.582 1.00 1.00 C ATOM 394 CD2 TYR A 26 -34.524 4.867 5.569 1.00 1.00 C ATOM 395 CE1 TYR A 26 -32.847 2.622 5.901 1.00 1.00 C ATOM 396 CE2 TYR A 26 -34.811 3.665 4.889 1.00 1.00 C ATOM 397 CZ TYR A 26 -33.973 2.541 5.053 1.00 1.00 C ATOM 398 OH TYR A 26 -34.247 1.376 4.395 1.00 1.00 O ATOM 0 H TYR A 26 -33.963 4.860 9.014 1.00 1.00 H new ATOM 0 HA TYR A 26 -31.389 5.532 8.249 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -34.018 6.764 7.367 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -32.499 6.891 6.503 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -31.699 3.882 7.231 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -35.167 5.725 5.441 1.00 1.00 H new ATOM 0 HE1 TYR A 26 -32.205 1.763 6.029 1.00 1.00 H new ATOM 0 HE2 TYR A 26 -35.673 3.605 4.242 1.00 1.00 H new ATOM 0 HH TYR A 26 -35.056 1.488 3.854 1.00 1.00 H new ATOM 408 N ILE A 27 -30.751 7.912 8.826 1.00 1.00 N ATOM 409 CA ILE A 27 -30.293 9.172 9.387 1.00 1.00 C ATOM 410 C ILE A 27 -29.881 10.111 8.251 1.00 1.00 C ATOM 411 O ILE A 27 -29.176 11.093 8.525 1.00 1.00 O ATOM 412 CB ILE A 27 -29.187 8.929 10.416 1.00 1.00 C ATOM 413 CG1 ILE A 27 -29.505 7.711 11.285 1.00 1.00 C ATOM 414 CG2 ILE A 27 -28.934 10.183 11.256 1.00 1.00 C ATOM 415 CD1 ILE A 27 -28.387 6.670 11.201 1.00 1.00 C ATOM 0 H ILE A 27 -30.084 7.467 8.196 1.00 1.00 H new ATOM 0 HA ILE A 27 -31.100 9.663 9.930 1.00 1.00 H new ATOM 0 HB ILE A 27 -28.264 8.710 9.880 1.00 1.00 H new ATOM 0 HG12 ILE A 27 -29.638 8.024 12.321 1.00 1.00 H new ATOM 0 HG13 ILE A 27 -30.446 7.266 10.963 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -28.144 9.983 11.979 1.00 1.00 H new ATOM 0 HG22 ILE A 27 -28.631 11.002 10.604 1.00 1.00 H new ATOM 0 HG23 ILE A 27 -29.847 10.458 11.783 1.00 1.00 H new ATOM 0 HD11 ILE A 27 -28.638 5.815 11.828 1.00 1.00 H new ATOM 0 HD12 ILE A 27 -28.273 6.342 10.168 1.00 1.00 H new ATOM 0 HD13 ILE A 27 -27.452 7.111 11.547 1.00 1.00 H new ATOM 427 N THR A 28 -30.320 9.796 7.020 1.00 1.00 N ATOM 428 CA THR A 28 -29.999 10.606 5.857 1.00 1.00 C ATOM 429 C THR A 28 -28.539 11.056 5.942 1.00 1.00 C ATOM 430 O THR A 28 -28.303 12.256 6.141 1.00 1.00 O ATOM 431 CB THR A 28 -30.990 11.770 5.784 1.00 1.00 C ATOM 432 OG1 THR A 28 -32.164 11.191 5.220 1.00 1.00 O ATOM 433 CG2 THR A 28 -30.572 12.831 4.764 1.00 1.00 C ATOM 0 H THR A 28 -30.899 8.982 6.816 1.00 1.00 H new ATOM 0 HA THR A 28 -30.097 10.037 4.932 1.00 1.00 H new ATOM 0 HB THR A 28 -31.084 12.229 6.768 1.00 1.00 H new ATOM 0 HG1 THR A 28 -32.860 11.876 5.138 1.00 1.00 H new ATOM 0 HG21 THR A 28 -31.309 13.634 4.752 1.00 1.00 H new ATOM 0 HG22 THR A 28 -29.598 13.236 5.039 1.00 1.00 H new ATOM 0 HG23 THR A 28 -30.511 12.380 3.774 1.00 1.00 H new ATOM 441 N ARG A 29 -27.605 10.100 5.791 1.00 1.00 N ATOM 442 CA ARG A 29 -26.184 10.396 5.850 1.00 1.00 C ATOM 443 C ARG A 29 -25.636 10.531 4.428 1.00 1.00 C ATOM 444 O ARG A 29 -26.415 10.368 3.477 1.00 1.00 O ATOM 445 CB ARG A 29 -25.410 9.301 6.585 1.00 1.00 C ATOM 446 CG ARG A 29 -25.655 9.374 8.093 1.00 1.00 C ATOM 447 CD ARG A 29 -24.405 9.859 8.830 1.00 1.00 C ATOM 448 NE ARG A 29 -24.435 9.399 10.236 1.00 1.00 N ATOM 449 CZ ARG A 29 -23.375 9.446 11.070 1.00 1.00 C ATOM 450 NH1 ARG A 29 -22.213 9.935 10.617 1.00 1.00 N ATOM 451 NH2 ARG A 29 -23.483 9.009 12.333 1.00 1.00 N ATOM 0 H ARG A 29 -27.821 9.117 5.627 1.00 1.00 H new ATOM 0 HA ARG A 29 -26.056 11.329 6.399 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -25.713 8.323 6.211 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -24.344 9.404 6.381 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -26.486 10.049 8.297 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -25.943 8.391 8.466 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -23.511 9.481 8.334 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -24.352 10.947 8.796 1.00 1.00 H new ATOM 0 HE ARG A 29 -25.312 9.023 10.597 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -22.139 10.265 9.655 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -21.402 9.978 11.234 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -24.371 8.637 12.670 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -22.677 9.048 12.957 1.00 1.00 H new ATOM 465 N TYR A 30 -24.328 10.823 4.311 1.00 1.00 N ATOM 466 CA TYR A 30 -23.747 10.969 2.987 1.00 1.00 C ATOM 467 C TYR A 30 -22.524 10.058 2.868 1.00 1.00 C ATOM 468 O TYR A 30 -21.945 9.721 3.911 1.00 1.00 O ATOM 469 CB TYR A 30 -23.390 12.445 2.734 1.00 1.00 C ATOM 470 CG TYR A 30 -24.560 13.410 2.867 1.00 1.00 C ATOM 471 CD1 TYR A 30 -25.205 13.586 4.113 1.00 1.00 C ATOM 472 CD2 TYR A 30 -25.012 14.132 1.738 1.00 1.00 C ATOM 473 CE1 TYR A 30 -26.292 14.479 4.230 1.00 1.00 C ATOM 474 CE2 TYR A 30 -26.098 15.025 1.855 1.00 1.00 C ATOM 475 CZ TYR A 30 -26.739 15.200 3.101 1.00 1.00 C ATOM 476 OH TYR A 30 -27.789 16.066 3.210 1.00 1.00 O ATOM 0 H TYR A 30 -23.684 10.956 5.091 1.00 1.00 H new ATOM 0 HA TYR A 30 -24.467 10.670 2.225 1.00 1.00 H new ATOM 0 HB2 TYR A 30 -22.609 12.742 3.434 1.00 1.00 H new ATOM 0 HB3 TYR A 30 -22.971 12.538 1.732 1.00 1.00 H new ATOM 0 HD1 TYR A 30 -24.865 13.036 4.978 1.00 1.00 H new ATOM 0 HD2 TYR A 30 -24.524 13.999 0.784 1.00 1.00 H new ATOM 0 HE1 TYR A 30 -26.782 14.611 5.183 1.00 1.00 H new ATOM 0 HE2 TYR A 30 -26.439 15.575 0.991 1.00 1.00 H new ATOM 0 HH TYR A 30 -28.538 15.617 3.655 1.00 1.00 H new ATOM 486 N PHE A 31 -22.166 9.676 1.629 1.00 1.00 N ATOM 487 CA PHE A 31 -21.029 8.803 1.391 1.00 1.00 C ATOM 488 C PHE A 31 -20.453 9.091 0.003 1.00 1.00 C ATOM 489 O PHE A 31 -21.237 9.373 -0.914 1.00 1.00 O ATOM 490 CB PHE A 31 -21.485 7.335 1.500 1.00 1.00 C ATOM 491 CG PHE A 31 -22.133 6.776 0.241 1.00 1.00 C ATOM 492 CD1 PHE A 31 -23.478 7.088 -0.062 1.00 1.00 C ATOM 493 CD2 PHE A 31 -21.394 5.948 -0.636 1.00 1.00 C ATOM 494 CE1 PHE A 31 -24.081 6.575 -1.230 1.00 1.00 C ATOM 495 CE2 PHE A 31 -21.997 5.435 -1.804 1.00 1.00 C ATOM 496 CZ PHE A 31 -23.340 5.748 -2.102 1.00 1.00 C ATOM 0 H PHE A 31 -22.656 9.965 0.783 1.00 1.00 H new ATOM 0 HA PHE A 31 -20.253 8.984 2.135 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -20.622 6.718 1.753 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -22.192 7.248 2.325 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -24.046 7.721 0.603 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -20.365 5.708 -0.411 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -25.109 6.815 -1.457 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -21.430 4.802 -2.471 1.00 1.00 H new ATOM 0 HZ PHE A 31 -23.801 5.355 -2.996 1.00 1.00 H new ATOM 506 N TYR A 32 -19.116 9.015 -0.121 1.00 1.00 N ATOM 507 CA TYR A 32 -18.506 9.282 -1.412 1.00 1.00 C ATOM 508 C TYR A 32 -18.680 8.059 -2.316 1.00 1.00 C ATOM 509 O TYR A 32 -18.112 7.007 -1.988 1.00 1.00 O ATOM 510 CB TYR A 32 -17.022 9.648 -1.223 1.00 1.00 C ATOM 511 CG TYR A 32 -16.410 10.424 -2.381 1.00 1.00 C ATOM 512 CD1 TYR A 32 -16.512 11.833 -2.431 1.00 1.00 C ATOM 513 CD2 TYR A 32 -15.740 9.735 -3.418 1.00 1.00 C ATOM 514 CE1 TYR A 32 -15.946 12.547 -3.509 1.00 1.00 C ATOM 515 CE2 TYR A 32 -15.174 10.449 -4.495 1.00 1.00 C ATOM 516 CZ TYR A 32 -15.275 11.856 -4.541 1.00 1.00 C ATOM 517 OH TYR A 32 -14.725 12.544 -5.585 1.00 1.00 O ATOM 0 H TYR A 32 -18.469 8.780 0.631 1.00 1.00 H new ATOM 0 HA TYR A 32 -18.995 10.130 -1.891 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -16.920 10.238 -0.312 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -16.451 8.731 -1.074 1.00 1.00 H new ATOM 0 HD1 TYR A 32 -17.024 12.364 -1.643 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -15.661 8.658 -3.385 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -16.026 13.623 -3.544 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -14.663 9.919 -5.285 1.00 1.00 H new ATOM 0 HH TYR A 32 -15.410 12.708 -6.266 1.00 1.00 H new ATOM 527 N ASN A 33 -19.451 8.213 -3.407 1.00 1.00 N ATOM 528 CA ASN A 33 -19.699 7.122 -4.334 1.00 1.00 C ATOM 529 C ASN A 33 -18.835 7.311 -5.582 1.00 1.00 C ATOM 530 O ASN A 33 -19.006 8.329 -6.269 1.00 1.00 O ATOM 531 CB ASN A 33 -21.165 7.095 -4.774 1.00 1.00 C ATOM 532 CG ASN A 33 -21.527 5.743 -5.392 1.00 1.00 C ATOM 533 OD1 ASN A 33 -20.680 4.908 -5.663 1.00 1.00 O ATOM 534 ND2 ASN A 33 -22.830 5.575 -5.600 1.00 1.00 N ATOM 0 H ASN A 33 -19.909 9.089 -3.659 1.00 1.00 H new ATOM 0 HA ASN A 33 -19.457 6.188 -3.827 1.00 1.00 H new ATOM 0 HB2 ASN A 33 -21.809 7.291 -3.917 1.00 1.00 H new ATOM 0 HB3 ASN A 33 -21.346 7.890 -5.498 1.00 1.00 H new ATOM 0 HD21 ASN A 33 -23.173 4.706 -6.010 1.00 1.00 H new ATOM 0 HD22 ASN A 33 -23.486 6.315 -5.350 1.00 1.00 H new ATOM 541 N ASN A 34 -17.938 6.344 -5.846 1.00 1.00 N ATOM 542 CA ASN A 34 -17.057 6.405 -7.000 1.00 1.00 C ATOM 543 C ASN A 34 -17.899 6.457 -8.276 1.00 1.00 C ATOM 544 O ASN A 34 -17.486 7.135 -9.228 1.00 1.00 O ATOM 545 CB ASN A 34 -16.161 5.167 -7.074 1.00 1.00 C ATOM 546 CG ASN A 34 -16.957 3.939 -7.521 1.00 1.00 C ATOM 547 OD1 ASN A 34 -17.049 3.620 -8.695 1.00 1.00 O ATOM 548 ND2 ASN A 34 -17.527 3.271 -6.522 1.00 1.00 N ATOM 0 H ASN A 34 -17.813 5.514 -5.267 1.00 1.00 H new ATOM 0 HA ASN A 34 -16.435 7.295 -6.904 1.00 1.00 H new ATOM 0 HB2 ASN A 34 -15.342 5.347 -7.771 1.00 1.00 H new ATOM 0 HB3 ASN A 34 -15.713 4.979 -6.098 1.00 1.00 H new ATOM 0 HD21 ASN A 34 -18.081 2.437 -6.717 1.00 1.00 H new ATOM 0 HD22 ASN A 34 -17.410 3.593 -5.561 1.00 1.00 H new ATOM 555 N GLN A 35 -19.044 5.750 -8.272 1.00 1.00 N ATOM 556 CA GLN A 35 -19.932 5.717 -9.421 1.00 1.00 C ATOM 557 C GLN A 35 -20.111 7.136 -9.964 1.00 1.00 C ATOM 558 O GLN A 35 -19.966 7.324 -11.181 1.00 1.00 O ATOM 559 CB GLN A 35 -21.283 5.090 -9.069 1.00 1.00 C ATOM 560 CG GLN A 35 -21.723 4.096 -10.145 1.00 1.00 C ATOM 561 CD GLN A 35 -20.663 3.014 -10.359 1.00 1.00 C ATOM 562 OE1 GLN A 35 -19.960 2.608 -9.448 1.00 1.00 O ATOM 563 NE2 GLN A 35 -20.586 2.572 -11.611 1.00 1.00 N ATOM 0 H GLN A 35 -19.366 5.197 -7.478 1.00 1.00 H new ATOM 0 HA GLN A 35 -19.482 5.091 -10.192 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -21.213 4.582 -8.107 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -22.034 5.872 -8.963 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -22.666 3.633 -9.854 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -21.903 4.624 -11.081 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -21.205 2.955 -12.326 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -19.908 1.850 -11.856 1.00 1.00 H new ATOM 572 N THR A 36 -20.416 8.090 -9.067 1.00 1.00 N ATOM 573 CA THR A 36 -20.611 9.477 -9.454 1.00 1.00 C ATOM 574 C THR A 36 -19.435 10.314 -8.947 1.00 1.00 C ATOM 575 O THR A 36 -19.611 11.527 -8.762 1.00 1.00 O ATOM 576 CB THR A 36 -21.966 9.947 -8.921 1.00 1.00 C ATOM 577 OG1 THR A 36 -21.814 9.910 -7.504 1.00 1.00 O ATOM 578 CG2 THR A 36 -23.086 8.942 -9.200 1.00 1.00 C ATOM 0 H THR A 36 -20.531 7.914 -8.069 1.00 1.00 H new ATOM 0 HA THR A 36 -20.631 9.592 -10.538 1.00 1.00 H new ATOM 0 HB THR A 36 -22.219 10.907 -9.371 1.00 1.00 H new ATOM 0 HG1 THR A 36 -22.369 10.608 -7.097 1.00 1.00 H new ATOM 0 HG21 THR A 36 -24.026 9.324 -8.801 1.00 1.00 H new ATOM 0 HG22 THR A 36 -23.182 8.793 -10.276 1.00 1.00 H new ATOM 0 HG23 THR A 36 -22.849 7.991 -8.722 1.00 1.00 H new ATOM 586 N LYS A 37 -18.279 9.661 -8.735 1.00 1.00 N ATOM 587 CA LYS A 37 -17.088 10.341 -8.254 1.00 1.00 C ATOM 588 C LYS A 37 -17.500 11.578 -7.453 1.00 1.00 C ATOM 589 O LYS A 37 -17.029 12.677 -7.781 1.00 1.00 O ATOM 590 CB LYS A 37 -16.141 10.648 -9.415 1.00 1.00 C ATOM 591 CG LYS A 37 -15.630 9.359 -10.061 1.00 1.00 C ATOM 592 CD LYS A 37 -14.236 9.560 -10.659 1.00 1.00 C ATOM 593 CE LYS A 37 -14.274 10.564 -11.814 1.00 1.00 C ATOM 594 NZ LYS A 37 -13.151 10.331 -12.736 1.00 1.00 N ATOM 0 H LYS A 37 -18.155 8.661 -8.893 1.00 1.00 H new ATOM 0 HA LYS A 37 -16.528 9.695 -7.578 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -16.658 11.253 -10.160 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -15.298 11.238 -9.055 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -15.599 8.563 -9.317 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -16.322 9.040 -10.841 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -13.553 9.914 -9.887 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -13.848 8.606 -11.015 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -15.218 10.474 -12.351 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -14.226 11.580 -11.422 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -13.192 11.020 -13.514 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -12.253 10.440 -12.223 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -13.214 9.368 -13.124 1.00 1.00 H new ATOM 608 N GLN A 38 -18.358 11.379 -6.436 1.00 1.00 N ATOM 609 CA GLN A 38 -18.827 12.470 -5.599 1.00 1.00 C ATOM 610 C GLN A 38 -19.605 11.899 -4.412 1.00 1.00 C ATOM 611 O GLN A 38 -19.806 10.677 -4.372 1.00 1.00 O ATOM 612 CB GLN A 38 -19.684 13.458 -6.393 1.00 1.00 C ATOM 613 CG GLN A 38 -19.657 14.847 -5.751 1.00 1.00 C ATOM 614 CD GLN A 38 -19.771 15.944 -6.811 1.00 1.00 C ATOM 615 OE1 GLN A 38 -20.850 16.317 -7.242 1.00 1.00 O ATOM 616 NE2 GLN A 38 -18.602 16.438 -7.207 1.00 1.00 N ATOM 0 H GLN A 38 -18.735 10.466 -6.183 1.00 1.00 H new ATOM 0 HA GLN A 38 -17.964 13.024 -5.230 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -19.318 13.520 -7.418 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -20.711 13.096 -6.442 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -20.477 14.938 -5.039 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -18.731 14.974 -5.189 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -17.735 16.081 -6.805 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -18.572 17.174 -7.912 1.00 1.00 H new ATOM 625 N CYS A 39 -20.022 12.780 -3.485 1.00 1.00 N ATOM 626 CA CYS A 39 -20.770 12.366 -2.311 1.00 1.00 C ATOM 627 C CYS A 39 -22.232 12.134 -2.699 1.00 1.00 C ATOM 628 O CYS A 39 -22.803 12.994 -3.386 1.00 1.00 O ATOM 629 CB CYS A 39 -20.635 13.389 -1.181 1.00 1.00 C ATOM 630 SG CYS A 39 -19.018 13.400 -0.352 1.00 1.00 S ATOM 0 H CYS A 39 -19.847 13.783 -3.538 1.00 1.00 H new ATOM 0 HA CYS A 39 -20.359 11.430 -1.933 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -20.827 14.383 -1.585 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -21.407 13.192 -0.438 1.00 1.00 H new ATOM 636 N GLU A 40 -22.799 10.996 -2.260 1.00 1.00 N ATOM 637 CA GLU A 40 -24.180 10.658 -2.559 1.00 1.00 C ATOM 638 C GLU A 40 -24.965 10.533 -1.252 1.00 1.00 C ATOM 639 O GLU A 40 -24.462 9.883 -0.323 1.00 1.00 O ATOM 640 CB GLU A 40 -24.277 9.373 -3.383 1.00 1.00 C ATOM 641 CG GLU A 40 -23.569 9.530 -4.730 1.00 1.00 C ATOM 642 CD GLU A 40 -24.450 10.281 -5.729 1.00 1.00 C ATOM 643 OE1 GLU A 40 -25.685 10.183 -5.663 1.00 1.00 O ATOM 644 OE2 GLU A 40 -23.810 10.989 -6.597 1.00 1.00 O ATOM 0 H GLU A 40 -22.311 10.300 -1.696 1.00 1.00 H new ATOM 0 HA GLU A 40 -24.613 11.456 -3.163 1.00 1.00 H new ATOM 0 HB2 GLU A 40 -23.832 8.547 -2.828 1.00 1.00 H new ATOM 0 HB3 GLU A 40 -25.325 9.120 -3.546 1.00 1.00 H new ATOM 0 HG2 GLU A 40 -22.631 10.068 -4.591 1.00 1.00 H new ATOM 0 HG3 GLU A 40 -23.317 8.547 -5.129 1.00 1.00 H new ATOM 651 N ARG A 41 -26.161 11.146 -1.206 1.00 1.00 N ATOM 652 CA ARG A 41 -27.003 11.102 -0.023 1.00 1.00 C ATOM 653 C ARG A 41 -27.586 9.696 0.131 1.00 1.00 C ATOM 654 O ARG A 41 -28.308 9.254 -0.774 1.00 1.00 O ATOM 655 CB ARG A 41 -28.148 12.114 -0.109 1.00 1.00 C ATOM 656 CG ARG A 41 -28.187 13.006 1.133 1.00 1.00 C ATOM 657 CD ARG A 41 -28.765 14.383 0.803 1.00 1.00 C ATOM 658 NE ARG A 41 -30.084 14.234 0.148 1.00 1.00 N ATOM 659 CZ ARG A 41 -30.715 15.224 -0.517 1.00 1.00 C ATOM 660 NH1 ARG A 41 -30.129 16.426 -0.603 1.00 1.00 N ATOM 661 NH2 ARG A 41 -31.911 15.009 -1.084 1.00 1.00 N ATOM 0 H ARG A 41 -26.557 11.676 -1.982 1.00 1.00 H new ATOM 0 HA ARG A 41 -26.387 11.357 0.840 1.00 1.00 H new ATOM 0 HB2 ARG A 41 -28.027 12.730 -1.000 1.00 1.00 H new ATOM 0 HB3 ARG A 41 -29.097 11.587 -0.212 1.00 1.00 H new ATOM 0 HG2 ARG A 41 -28.790 12.531 1.907 1.00 1.00 H new ATOM 0 HG3 ARG A 41 -27.181 13.118 1.536 1.00 1.00 H new ATOM 0 HD2 ARG A 41 -28.867 14.972 1.715 1.00 1.00 H new ATOM 0 HD3 ARG A 41 -28.083 14.925 0.148 1.00 1.00 H new ATOM 0 HE ARG A 41 -30.545 13.326 0.203 1.00 1.00 H new ATOM 0 HH11 ARG A 41 -29.219 16.582 -0.169 1.00 1.00 H new ATOM 0 HH12 ARG A 41 -30.593 17.185 -1.102 1.00 1.00 H new ATOM 0 HH21 ARG A 41 -32.351 14.091 -1.014 1.00 1.00 H new ATOM 0 HH22 ARG A 41 -32.381 15.763 -1.585 1.00 1.00 H new ATOM 675 N PHE A 42 -27.266 9.032 1.257 1.00 1.00 N ATOM 676 CA PHE A 42 -27.754 7.690 1.524 1.00 1.00 C ATOM 677 C PHE A 42 -28.144 7.578 2.999 1.00 1.00 C ATOM 678 O PHE A 42 -27.482 8.212 3.834 1.00 1.00 O ATOM 679 CB PHE A 42 -26.654 6.670 1.170 1.00 1.00 C ATOM 680 CG PHE A 42 -25.666 6.387 2.293 1.00 1.00 C ATOM 681 CD1 PHE A 42 -24.876 7.434 2.823 1.00 1.00 C ATOM 682 CD2 PHE A 42 -25.535 5.080 2.818 1.00 1.00 C ATOM 683 CE1 PHE A 42 -23.962 7.176 3.866 1.00 1.00 C ATOM 684 CE2 PHE A 42 -24.621 4.823 3.861 1.00 1.00 C ATOM 685 CZ PHE A 42 -23.834 5.870 4.385 1.00 1.00 C ATOM 0 H PHE A 42 -26.669 9.414 1.991 1.00 1.00 H new ATOM 0 HA PHE A 42 -28.633 7.481 0.915 1.00 1.00 H new ATOM 0 HB2 PHE A 42 -27.127 5.733 0.875 1.00 1.00 H new ATOM 0 HB3 PHE A 42 -26.103 7.036 0.303 1.00 1.00 H new ATOM 0 HD1 PHE A 42 -24.973 8.434 2.428 1.00 1.00 H new ATOM 0 HD2 PHE A 42 -26.137 4.277 2.419 1.00 1.00 H new ATOM 0 HE1 PHE A 42 -23.360 7.978 4.267 1.00 1.00 H new ATOM 0 HE2 PHE A 42 -24.524 3.824 4.259 1.00 1.00 H new ATOM 0 HZ PHE A 42 -23.134 5.672 5.183 1.00 1.00 H new ATOM 695 N LYS A 43 -29.194 6.788 3.286 1.00 1.00 N ATOM 696 CA LYS A 43 -29.665 6.597 4.648 1.00 1.00 C ATOM 697 C LYS A 43 -28.747 5.606 5.366 1.00 1.00 C ATOM 698 O LYS A 43 -28.693 4.441 4.945 1.00 1.00 O ATOM 699 CB LYS A 43 -31.138 6.185 4.652 1.00 1.00 C ATOM 700 CG LYS A 43 -31.465 5.307 3.442 1.00 1.00 C ATOM 701 CD LYS A 43 -31.993 6.150 2.279 1.00 1.00 C ATOM 702 CE LYS A 43 -33.334 5.612 1.777 1.00 1.00 C ATOM 703 NZ LYS A 43 -33.718 6.275 0.521 1.00 1.00 N ATOM 0 H LYS A 43 -29.726 6.275 2.583 1.00 1.00 H new ATOM 0 HA LYS A 43 -29.619 7.534 5.203 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -31.366 5.644 5.571 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -31.768 7.074 4.641 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -30.572 4.767 3.128 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -32.208 4.560 3.721 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -32.109 7.185 2.599 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -31.268 6.147 1.465 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -33.265 4.536 1.620 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -34.104 5.776 2.531 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -34.631 5.898 0.194 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -33.804 7.299 0.681 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -32.991 6.097 -0.202 1.00 1.00 H new ATOM 717 N TYR A 44 -28.055 6.079 6.418 1.00 1.00 N ATOM 718 CA TYR A 44 -27.162 5.189 7.140 1.00 1.00 C ATOM 719 C TYR A 44 -27.988 4.133 7.877 1.00 1.00 C ATOM 720 O TYR A 44 -27.660 2.944 7.750 1.00 1.00 O ATOM 721 CB TYR A 44 -26.281 6.004 8.105 1.00 1.00 C ATOM 722 CG TYR A 44 -25.477 5.165 9.088 1.00 1.00 C ATOM 723 CD1 TYR A 44 -25.201 3.808 8.798 1.00 1.00 C ATOM 724 CD2 TYR A 44 -24.997 5.734 10.290 1.00 1.00 C ATOM 725 CE1 TYR A 44 -24.453 3.027 9.704 1.00 1.00 C ATOM 726 CE2 TYR A 44 -24.249 4.952 11.196 1.00 1.00 C ATOM 727 CZ TYR A 44 -23.977 3.597 10.904 1.00 1.00 C ATOM 728 OH TYR A 44 -23.254 2.837 11.779 1.00 1.00 O ATOM 0 H TYR A 44 -28.100 7.036 6.768 1.00 1.00 H new ATOM 0 HA TYR A 44 -26.499 4.675 6.444 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -25.593 6.615 7.520 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -26.917 6.689 8.666 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -25.564 3.369 7.881 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -25.203 6.770 10.515 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -24.244 1.992 9.479 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -23.884 5.390 12.113 1.00 1.00 H new ATOM 0 HH TYR A 44 -22.728 3.422 12.363 1.00 1.00 H new ATOM 738 N GLY A 45 -29.014 4.574 8.626 1.00 1.00 N ATOM 739 CA GLY A 45 -29.863 3.668 9.380 1.00 1.00 C ATOM 740 C GLY A 45 -29.008 2.895 10.387 1.00 1.00 C ATOM 741 O GLY A 45 -29.183 3.109 11.595 1.00 1.00 O ATOM 0 H GLY A 45 -29.267 5.558 8.718 1.00 1.00 H new ATOM 0 HA2 GLY A 45 -30.641 4.228 9.900 1.00 1.00 H new ATOM 0 HA3 GLY A 45 -30.366 2.975 8.705 1.00 1.00 H new ATOM 745 N GLY A 46 -28.115 2.027 9.878 1.00 1.00 N ATOM 746 CA GLY A 46 -27.244 1.232 10.727 1.00 1.00 C ATOM 747 C GLY A 46 -26.690 2.113 11.849 1.00 1.00 C ATOM 748 O GLY A 46 -26.730 3.344 11.706 1.00 1.00 O ATOM 0 H GLY A 46 -27.986 1.866 8.879 1.00 1.00 H new ATOM 0 HA2 GLY A 46 -27.796 0.391 11.148 1.00 1.00 H new ATOM 0 HA3 GLY A 46 -26.426 0.815 10.139 1.00 1.00 H new ATOM 752 N CYS A 47 -26.192 1.477 12.924 1.00 1.00 N ATOM 753 CA CYS A 47 -25.637 2.198 14.056 1.00 1.00 C ATOM 754 C CYS A 47 -24.118 2.018 14.075 1.00 1.00 C ATOM 755 O CYS A 47 -23.441 2.791 14.768 1.00 1.00 O ATOM 756 CB CYS A 47 -26.281 1.747 15.368 1.00 1.00 C ATOM 757 SG CYS A 47 -27.034 0.094 15.318 1.00 1.00 S ATOM 0 H CYS A 47 -26.168 0.462 13.021 1.00 1.00 H new ATOM 0 HA CYS A 47 -25.859 3.260 13.950 1.00 1.00 H new ATOM 0 HB2 CYS A 47 -25.524 1.763 16.152 1.00 1.00 H new ATOM 0 HB3 CYS A 47 -27.046 2.471 15.649 1.00 1.00 H new ATOM 763 N LEU A 48 -23.621 1.018 13.325 1.00 1.00 N ATOM 764 CA LEU A 48 -22.196 0.742 13.256 1.00 1.00 C ATOM 765 C LEU A 48 -21.893 -0.036 11.974 1.00 1.00 C ATOM 766 O LEU A 48 -21.624 -1.243 12.066 1.00 1.00 O ATOM 767 CB LEU A 48 -21.725 0.037 14.529 1.00 1.00 C ATOM 768 CG LEU A 48 -20.224 0.109 14.820 1.00 1.00 C ATOM 769 CD1 LEU A 48 -19.966 0.545 16.264 1.00 1.00 C ATOM 770 CD2 LEU A 48 -19.537 -1.217 14.490 1.00 1.00 C ATOM 0 H LEU A 48 -24.196 0.393 12.761 1.00 1.00 H new ATOM 0 HA LEU A 48 -21.630 1.672 13.206 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -22.260 0.465 15.377 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -22.013 -1.012 14.467 1.00 1.00 H new ATOM 0 HG LEU A 48 -19.786 0.868 14.171 1.00 1.00 H new ATOM 0 HD11 LEU A 48 -18.892 0.588 16.445 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -20.402 1.530 16.430 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -20.420 -0.172 16.947 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -18.471 -1.138 14.706 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -19.972 -2.013 15.095 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -19.677 -1.446 13.434 1.00 1.00 H new ATOM 782 N GLY A 49 -21.942 0.658 10.823 1.00 1.00 N ATOM 783 CA GLY A 49 -21.674 0.036 9.537 1.00 1.00 C ATOM 784 C GLY A 49 -20.208 0.260 9.162 1.00 1.00 C ATOM 785 O GLY A 49 -19.333 -0.109 9.958 1.00 1.00 O ATOM 0 H GLY A 49 -22.166 1.652 10.769 1.00 1.00 H new ATOM 0 HA2 GLY A 49 -21.890 -1.031 9.584 1.00 1.00 H new ATOM 0 HA3 GLY A 49 -22.326 0.459 8.773 1.00 1.00 H new ATOM 789 N ASN A 50 -19.973 0.851 7.977 1.00 1.00 N ATOM 790 CA ASN A 50 -18.626 1.120 7.504 1.00 1.00 C ATOM 791 C ASN A 50 -18.198 2.515 7.965 1.00 1.00 C ATOM 792 O ASN A 50 -18.847 3.063 8.868 1.00 1.00 O ATOM 793 CB ASN A 50 -18.562 1.087 5.976 1.00 1.00 C ATOM 794 CG ASN A 50 -19.295 2.286 5.370 1.00 1.00 C ATOM 795 OD1 ASN A 50 -19.805 3.150 6.064 1.00 1.00 O ATOM 796 ND2 ASN A 50 -19.319 2.289 4.040 1.00 1.00 N ATOM 0 H ASN A 50 -20.709 1.148 7.336 1.00 1.00 H new ATOM 0 HA ASN A 50 -17.967 0.353 7.909 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -17.521 1.091 5.652 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -19.006 0.162 5.610 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -19.785 3.046 3.540 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -18.872 1.534 3.520 1.00 1.00 H new ATOM 803 N MET A 51 -17.131 3.053 7.347 1.00 1.00 N ATOM 804 CA MET A 51 -16.624 4.370 7.692 1.00 1.00 C ATOM 805 C MET A 51 -17.243 5.411 6.757 1.00 1.00 C ATOM 806 O MET A 51 -17.575 6.507 7.232 1.00 1.00 O ATOM 807 CB MET A 51 -15.100 4.405 7.558 1.00 1.00 C ATOM 808 CG MET A 51 -14.425 4.006 8.871 1.00 1.00 C ATOM 809 SD MET A 51 -14.356 5.433 9.993 1.00 1.00 S ATOM 810 CE MET A 51 -12.581 5.813 9.911 1.00 1.00 C ATOM 0 H MET A 51 -16.610 2.585 6.605 1.00 1.00 H new ATOM 0 HA MET A 51 -16.891 4.594 8.725 1.00 1.00 H new ATOM 0 HB2 MET A 51 -14.786 3.729 6.763 1.00 1.00 H new ATOM 0 HB3 MET A 51 -14.780 5.406 7.270 1.00 1.00 H new ATOM 0 HG2 MET A 51 -14.976 3.191 9.340 1.00 1.00 H new ATOM 0 HG3 MET A 51 -13.418 3.638 8.675 1.00 1.00 H new ATOM 0 HE1 MET A 51 -12.363 6.671 10.547 1.00 1.00 H new ATOM 0 HE2 MET A 51 -12.008 4.952 10.254 1.00 1.00 H new ATOM 0 HE3 MET A 51 -12.306 6.045 8.882 1.00 1.00 H new ATOM 820 N ASN A 52 -17.383 5.055 5.468 1.00 1.00 N ATOM 821 CA ASN A 52 -17.956 5.952 4.479 1.00 1.00 C ATOM 822 C ASN A 52 -19.412 6.248 4.848 1.00 1.00 C ATOM 823 O ASN A 52 -20.309 5.781 4.131 1.00 1.00 O ATOM 824 CB ASN A 52 -17.941 5.319 3.086 1.00 1.00 C ATOM 825 CG ASN A 52 -17.928 6.392 1.996 1.00 1.00 C ATOM 826 OD1 ASN A 52 -17.442 7.496 2.182 1.00 1.00 O ATOM 827 ND2 ASN A 52 -18.487 6.008 0.852 1.00 1.00 N ATOM 0 H ASN A 52 -17.103 4.147 5.097 1.00 1.00 H new ATOM 0 HA ASN A 52 -17.360 6.865 4.467 1.00 1.00 H new ATOM 0 HB2 ASN A 52 -17.064 4.680 2.983 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -18.816 4.681 2.963 1.00 1.00 H new ATOM 0 HD21 ASN A 52 -18.528 6.653 0.063 1.00 1.00 H new ATOM 0 HD22 ASN A 52 -18.875 5.069 0.764 1.00 1.00 H new ATOM 834 N ASN A 53 -19.614 7.005 5.941 1.00 1.00 N ATOM 835 CA ASN A 53 -20.947 7.358 6.398 1.00 1.00 C ATOM 836 C ASN A 53 -20.908 8.741 7.052 1.00 1.00 C ATOM 837 O ASN A 53 -20.852 8.807 8.288 1.00 1.00 O ATOM 838 CB ASN A 53 -21.455 6.357 7.438 1.00 1.00 C ATOM 839 CG ASN A 53 -22.623 6.942 8.236 1.00 1.00 C ATOM 840 OD1 ASN A 53 -23.610 7.407 7.691 1.00 1.00 O ATOM 841 ND2 ASN A 53 -22.455 6.892 9.554 1.00 1.00 N ATOM 0 H ASN A 53 -18.861 7.380 6.518 1.00 1.00 H new ATOM 0 HA ASN A 53 -21.613 7.351 5.535 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -21.772 5.440 6.941 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -20.645 6.088 8.116 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -23.178 7.257 10.174 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -21.603 6.489 9.945 1.00 1.00 H new ATOM 848 N PHE A 54 -20.938 9.799 6.223 1.00 1.00 N ATOM 849 CA PHE A 54 -20.907 11.165 6.717 1.00 1.00 C ATOM 850 C PHE A 54 -22.332 11.621 7.035 1.00 1.00 C ATOM 851 O PHE A 54 -23.272 10.873 6.729 1.00 1.00 O ATOM 852 CB PHE A 54 -20.266 12.076 5.652 1.00 1.00 C ATOM 853 CG PHE A 54 -18.864 11.664 5.224 1.00 1.00 C ATOM 854 CD1 PHE A 54 -18.681 10.764 4.148 1.00 1.00 C ATOM 855 CD2 PHE A 54 -17.736 12.175 5.906 1.00 1.00 C ATOM 856 CE1 PHE A 54 -17.380 10.381 3.758 1.00 1.00 C ATOM 857 CE2 PHE A 54 -16.436 11.792 5.515 1.00 1.00 C ATOM 858 CZ PHE A 54 -16.257 10.895 4.440 1.00 1.00 C ATOM 0 H PHE A 54 -20.984 9.722 5.207 1.00 1.00 H new ATOM 0 HA PHE A 54 -20.312 11.221 7.629 1.00 1.00 H new ATOM 0 HB2 PHE A 54 -20.910 12.093 4.772 1.00 1.00 H new ATOM 0 HB3 PHE A 54 -20.229 13.094 6.039 1.00 1.00 H new ATOM 0 HD1 PHE A 54 -19.539 10.369 3.624 1.00 1.00 H new ATOM 0 HD2 PHE A 54 -17.870 12.861 6.729 1.00 1.00 H new ATOM 0 HE1 PHE A 54 -17.244 9.693 2.936 1.00 1.00 H new ATOM 0 HE2 PHE A 54 -15.577 12.185 6.038 1.00 1.00 H new ATOM 0 HZ PHE A 54 -15.262 10.602 4.140 1.00 1.00 H new ATOM 868 N GLU A 55 -22.462 12.818 7.633 1.00 1.00 N ATOM 869 CA GLU A 55 -23.761 13.365 7.987 1.00 1.00 C ATOM 870 C GLU A 55 -24.095 14.525 7.047 1.00 1.00 C ATOM 871 O GLU A 55 -25.286 14.830 6.886 1.00 1.00 O ATOM 872 CB GLU A 55 -23.802 13.815 9.449 1.00 1.00 C ATOM 873 CG GLU A 55 -22.882 12.951 10.314 1.00 1.00 C ATOM 874 CD GLU A 55 -22.777 13.514 11.733 1.00 1.00 C ATOM 875 OE1 GLU A 55 -23.582 14.488 11.995 1.00 1.00 O ATOM 876 OE2 GLU A 55 -21.961 13.032 12.533 1.00 1.00 O ATOM 0 H GLU A 55 -21.674 13.418 7.877 1.00 1.00 H new ATOM 0 HA GLU A 55 -24.512 12.583 7.874 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -23.499 14.860 9.520 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -24.824 13.753 9.824 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -23.264 11.931 10.351 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -21.891 12.904 9.863 1.00 1.00 H new ATOM 883 N THR A 56 -23.056 15.139 6.454 1.00 1.00 N ATOM 884 CA THR A 56 -23.238 16.253 5.540 1.00 1.00 C ATOM 885 C THR A 56 -22.485 15.968 4.239 1.00 1.00 C ATOM 886 O THR A 56 -21.433 15.314 4.297 1.00 1.00 O ATOM 887 CB THR A 56 -22.784 17.537 6.237 1.00 1.00 C ATOM 888 OG1 THR A 56 -21.789 17.098 7.159 1.00 1.00 O ATOM 889 CG2 THR A 56 -23.874 18.139 7.125 1.00 1.00 C ATOM 0 H THR A 56 -22.082 14.872 6.600 1.00 1.00 H new ATOM 0 HA THR A 56 -24.286 16.384 5.271 1.00 1.00 H new ATOM 0 HB THR A 56 -22.481 18.269 5.488 1.00 1.00 H new ATOM 0 HG1 THR A 56 -21.519 17.847 7.730 1.00 1.00 H new ATOM 0 HG21 THR A 56 -23.499 19.048 7.595 1.00 1.00 H new ATOM 0 HG22 THR A 56 -24.747 18.378 6.518 1.00 1.00 H new ATOM 0 HG23 THR A 56 -24.154 17.420 7.895 1.00 1.00 H new ATOM 897 N LEU A 57 -23.028 16.456 3.109 1.00 1.00 N ATOM 898 CA LEU A 57 -22.411 16.256 1.809 1.00 1.00 C ATOM 899 C LEU A 57 -21.042 16.937 1.788 1.00 1.00 C ATOM 900 O LEU A 57 -20.057 16.272 1.435 1.00 1.00 O ATOM 901 CB LEU A 57 -23.348 16.723 0.694 1.00 1.00 C ATOM 902 CG LEU A 57 -22.911 16.390 -0.734 1.00 1.00 C ATOM 903 CD1 LEU A 57 -23.424 15.012 -1.156 1.00 1.00 C ATOM 904 CD2 LEU A 57 -23.343 17.486 -1.710 1.00 1.00 C ATOM 0 H LEU A 57 -23.896 16.992 3.083 1.00 1.00 H new ATOM 0 HA LEU A 57 -22.241 15.195 1.627 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -24.330 16.282 0.864 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -23.465 17.804 0.774 1.00 1.00 H new ATOM 0 HG LEU A 57 -21.822 16.350 -0.757 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -23.100 14.799 -2.175 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -23.025 14.253 -0.482 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -24.513 15.000 -1.112 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -23.020 17.224 -2.717 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -24.429 17.583 -1.691 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -22.889 18.433 -1.418 1.00 1.00 H new ATOM 916 N GLU A 58 -21.007 18.229 2.161 1.00 1.00 N ATOM 917 CA GLU A 58 -19.769 18.991 2.185 1.00 1.00 C ATOM 918 C GLU A 58 -18.738 18.252 3.040 1.00 1.00 C ATOM 919 O GLU A 58 -17.581 18.145 2.607 1.00 1.00 O ATOM 920 CB GLU A 58 -19.994 20.413 2.703 1.00 1.00 C ATOM 921 CG GLU A 58 -19.154 21.421 1.918 1.00 1.00 C ATOM 922 CD GLU A 58 -19.349 22.838 2.461 1.00 1.00 C ATOM 923 OE1 GLU A 58 -19.688 22.903 3.704 1.00 1.00 O ATOM 924 OE2 GLU A 58 -19.181 23.816 1.718 1.00 1.00 O ATOM 0 H GLU A 58 -21.830 18.758 2.449 1.00 1.00 H new ATOM 0 HA GLU A 58 -19.393 19.081 1.166 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -21.050 20.671 2.620 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -19.735 20.464 3.761 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -18.101 21.147 1.978 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -19.433 21.390 0.865 1.00 1.00 H new ATOM 931 N GLU A 59 -19.169 17.766 4.217 1.00 1.00 N ATOM 932 CA GLU A 59 -18.288 17.045 5.122 1.00 1.00 C ATOM 933 C GLU A 59 -17.712 15.825 4.400 1.00 1.00 C ATOM 934 O GLU A 59 -16.485 15.648 4.431 1.00 1.00 O ATOM 935 CB GLU A 59 -19.015 16.632 6.403 1.00 1.00 C ATOM 936 CG GLU A 59 -18.020 16.358 7.533 1.00 1.00 C ATOM 937 CD GLU A 59 -16.598 16.213 6.988 1.00 1.00 C ATOM 938 OE1 GLU A 59 -15.889 17.218 6.832 1.00 1.00 O ATOM 939 OE2 GLU A 59 -16.235 15.003 6.726 1.00 1.00 O ATOM 0 H GLU A 59 -20.126 17.865 4.555 1.00 1.00 H new ATOM 0 HA GLU A 59 -17.473 17.706 5.419 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -19.705 17.420 6.704 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -19.612 15.740 6.215 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -18.054 17.171 8.258 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -18.305 15.448 8.061 1.00 1.00 H new ATOM 946 N CYS A 60 -18.593 15.022 3.777 1.00 1.00 N ATOM 947 CA CYS A 60 -18.174 13.832 3.057 1.00 1.00 C ATOM 948 C CYS A 60 -17.152 14.222 1.987 1.00 1.00 C ATOM 949 O CYS A 60 -16.280 13.397 1.676 1.00 1.00 O ATOM 950 CB CYS A 60 -19.375 13.098 2.458 1.00 1.00 C ATOM 951 SG CYS A 60 -18.961 11.878 1.177 1.00 1.00 S ATOM 0 H CYS A 60 -19.600 15.186 3.765 1.00 1.00 H new ATOM 0 HA CYS A 60 -17.700 13.138 3.752 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -19.912 12.593 3.261 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -20.057 13.834 2.032 1.00 1.00 H new ATOM 957 N LYS A 61 -17.277 15.450 1.454 1.00 1.00 N ATOM 958 CA LYS A 61 -16.371 15.941 0.429 1.00 1.00 C ATOM 959 C LYS A 61 -15.070 16.406 1.086 1.00 1.00 C ATOM 960 O LYS A 61 -13.995 16.034 0.593 1.00 1.00 O ATOM 961 CB LYS A 61 -17.053 17.019 -0.416 1.00 1.00 C ATOM 962 CG LYS A 61 -18.003 16.394 -1.439 1.00 1.00 C ATOM 963 CD LYS A 61 -18.547 17.453 -2.401 1.00 1.00 C ATOM 964 CE LYS A 61 -19.621 16.862 -3.316 1.00 1.00 C ATOM 965 NZ LYS A 61 -20.762 17.785 -3.434 1.00 1.00 N ATOM 0 H LYS A 61 -18.002 16.114 1.724 1.00 1.00 H new ATOM 0 HA LYS A 61 -16.110 15.142 -0.265 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -17.607 17.698 0.232 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -16.299 17.614 -0.931 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -17.480 15.621 -2.002 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -18.830 15.907 -0.922 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -18.965 18.285 -1.834 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -17.732 17.855 -3.003 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -19.200 16.667 -4.302 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -19.959 15.905 -2.919 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -21.566 17.289 -3.869 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -21.034 18.123 -2.489 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -20.493 18.595 -4.028 1.00 1.00 H new ATOM 979 N ASN A 62 -15.189 17.198 2.166 1.00 1.00 N ATOM 980 CA ASN A 62 -14.031 17.707 2.880 1.00 1.00 C ATOM 981 C ASN A 62 -13.099 16.544 3.227 1.00 1.00 C ATOM 982 O ASN A 62 -11.882 16.690 3.045 1.00 1.00 O ATOM 983 CB ASN A 62 -14.444 18.388 4.187 1.00 1.00 C ATOM 984 CG ASN A 62 -13.288 19.203 4.770 1.00 1.00 C ATOM 985 OD1 ASN A 62 -12.434 18.698 5.480 1.00 1.00 O ATOM 986 ND2 ASN A 62 -13.309 20.489 4.432 1.00 1.00 N ATOM 0 H ASN A 62 -16.084 17.494 2.556 1.00 1.00 H new ATOM 0 HA ASN A 62 -13.532 18.432 2.238 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -15.299 19.040 4.007 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -14.763 17.636 4.908 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -12.581 21.117 4.771 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -14.054 20.847 3.834 1.00 1.00 H new ATOM 993 N ILE A 63 -13.679 15.432 3.711 1.00 1.00 N ATOM 994 CA ILE A 63 -12.906 14.258 4.079 1.00 1.00 C ATOM 995 C ILE A 63 -12.515 13.493 2.812 1.00 1.00 C ATOM 996 O ILE A 63 -11.326 13.176 2.659 1.00 1.00 O ATOM 997 CB ILE A 63 -13.671 13.410 5.097 1.00 1.00 C ATOM 998 CG1 ILE A 63 -13.510 13.973 6.510 1.00 1.00 C ATOM 999 CG2 ILE A 63 -13.250 11.941 5.014 1.00 1.00 C ATOM 1000 CD1 ILE A 63 -13.457 15.502 6.489 1.00 1.00 C ATOM 0 H ILE A 63 -14.684 15.333 3.853 1.00 1.00 H new ATOM 0 HA ILE A 63 -11.980 14.551 4.574 1.00 1.00 H new ATOM 0 HB ILE A 63 -14.732 13.455 4.851 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -14.341 13.643 7.134 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -12.598 13.580 6.960 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -13.809 11.360 5.748 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -13.458 11.559 4.015 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -12.183 11.856 5.220 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -13.342 15.876 7.506 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -12.611 15.828 5.885 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -14.380 15.892 6.061 1.00 1.00 H new ATOM 1012 N CYS A 64 -13.505 13.218 1.945 1.00 1.00 N ATOM 1013 CA CYS A 64 -13.266 12.498 0.706 1.00 1.00 C ATOM 1014 C CYS A 64 -12.721 13.468 -0.345 1.00 1.00 C ATOM 1015 O CYS A 64 -11.492 13.565 -0.477 1.00 1.00 O ATOM 1016 CB CYS A 64 -14.533 11.789 0.225 1.00 1.00 C ATOM 1017 SG CYS A 64 -15.282 10.662 1.438 1.00 1.00 S ATOM 0 H CYS A 64 -14.477 13.489 2.091 1.00 1.00 H new ATOM 0 HA CYS A 64 -12.522 11.720 0.879 1.00 1.00 H new ATOM 0 HB2 CYS A 64 -15.270 12.542 -0.054 1.00 1.00 H new ATOM 0 HB3 CYS A 64 -14.297 11.225 -0.677 1.00 1.00 H new ATOM 1023 N GLU A 65 -13.630 14.155 -1.059 1.00 1.00 N ATOM 1024 CA GLU A 65 -13.243 15.107 -2.087 1.00 1.00 C ATOM 1025 C GLU A 65 -11.942 15.797 -1.673 1.00 1.00 C ATOM 1026 O GLU A 65 -11.132 16.108 -2.558 1.00 1.00 O ATOM 1027 CB GLU A 65 -14.348 16.132 -2.348 1.00 1.00 C ATOM 1028 CG GLU A 65 -15.084 15.825 -3.654 1.00 1.00 C ATOM 1029 CD GLU A 65 -14.960 16.989 -4.640 1.00 1.00 C ATOM 1030 OE1 GLU A 65 -13.752 17.377 -4.876 1.00 1.00 O ATOM 1031 OE2 GLU A 65 -15.978 17.486 -5.144 1.00 1.00 O ATOM 0 H GLU A 65 -14.638 14.060 -0.934 1.00 1.00 H new ATOM 0 HA GLU A 65 -13.083 14.568 -3.021 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -15.055 16.129 -1.519 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -13.917 17.132 -2.396 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -14.675 14.919 -4.102 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -16.136 15.631 -3.446 1.00 1.00 H new ATOM 1038 N ASP A 66 -11.770 16.019 -0.357 1.00 1.00 N ATOM 1039 CA ASP A 66 -10.578 16.665 0.165 1.00 1.00 C ATOM 1040 C ASP A 66 -10.280 17.919 -0.659 1.00 1.00 C ATOM 1041 O ASP A 66 -9.640 17.793 -1.713 1.00 1.00 O ATOM 1042 CB ASP A 66 -9.364 15.739 0.073 1.00 1.00 C ATOM 1043 CG ASP A 66 -8.984 15.309 -1.346 1.00 1.00 C ATOM 1044 OD1 ASP A 66 -9.570 14.371 -1.907 1.00 1.00 O ATOM 1045 OD2 ASP A 66 -8.031 15.991 -1.885 1.00 1.00 O ATOM 0 H ASP A 66 -12.450 15.755 0.356 1.00 1.00 H new ATOM 0 HA ASP A 66 -10.761 16.916 1.210 1.00 1.00 H new ATOM 0 HB2 ASP A 66 -8.509 16.240 0.526 1.00 1.00 H new ATOM 0 HB3 ASP A 66 -9.561 14.846 0.666 1.00 1.00 H new ATOM 1050 N GLY A 67 -10.743 19.084 -0.172 1.00 1.00 N ATOM 1051 CA GLY A 67 -10.527 20.346 -0.859 1.00 1.00 C ATOM 1052 C GLY A 67 -9.079 20.414 -1.349 1.00 1.00 C ATOM 1053 O GLY A 67 -8.830 20.045 -2.506 1.00 1.00 O ATOM 0 H GLY A 67 -11.269 19.166 0.698 1.00 1.00 H new ATOM 0 HA2 GLY A 67 -11.213 20.437 -1.701 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -10.735 21.179 -0.188 1.00 1.00 H new ATOM 1057 N PRO A 68 -8.168 20.876 -0.474 1.00 1.00 N ATOM 1058 CA PRO A 68 -6.753 21.003 -0.780 1.00 1.00 C ATOM 1059 C PRO A 68 -6.071 19.634 -0.800 1.00 1.00 C ATOM 1060 O PRO A 68 -6.513 18.744 -0.058 1.00 1.00 O ATOM 1061 CB PRO A 68 -6.200 21.927 0.292 1.00 1.00 C ATOM 1062 CG PRO A 68 -7.216 21.911 1.422 1.00 1.00 C ATOM 1063 CD PRO A 68 -8.495 21.285 0.889 1.00 1.00 C ATOM 0 HA PRO A 68 -6.573 21.415 -1.773 1.00 1.00 H new ATOM 0 HB2 PRO A 68 -5.225 21.584 0.639 1.00 1.00 H new ATOM 0 HB3 PRO A 68 -6.063 22.937 -0.096 1.00 1.00 H new ATOM 0 HG2 PRO A 68 -6.836 21.340 2.269 1.00 1.00 H new ATOM 0 HG3 PRO A 68 -7.406 22.923 1.779 1.00 1.00 H new ATOM 0 HD2 PRO A 68 -8.801 20.433 1.495 1.00 1.00 H new ATOM 0 HD3 PRO A 68 -9.320 21.998 0.901 1.00 1.00 H new ATOM 1071 N ASN A 69 -5.026 19.493 -1.635 1.00 1.00 N ATOM 1072 CA ASN A 69 -4.293 18.244 -1.747 1.00 1.00 C ATOM 1073 C ASN A 69 -3.258 18.162 -0.623 1.00 1.00 C ATOM 1074 O ASN A 69 -2.069 17.985 -0.928 1.00 1.00 O ATOM 1075 CB ASN A 69 -3.549 18.160 -3.082 1.00 1.00 C ATOM 1076 CG ASN A 69 -4.484 17.701 -4.202 1.00 1.00 C ATOM 1077 OD1 ASN A 69 -5.195 16.716 -4.088 1.00 1.00 O ATOM 1078 ND2 ASN A 69 -4.443 18.466 -5.289 1.00 1.00 N ATOM 0 H ASN A 69 -4.678 20.238 -2.239 1.00 1.00 H new ATOM 0 HA ASN A 69 -5.010 17.425 -1.681 1.00 1.00 H new ATOM 0 HB2 ASN A 69 -3.129 19.135 -3.330 1.00 1.00 H new ATOM 0 HB3 ASN A 69 -2.713 17.466 -2.994 1.00 1.00 H new ATOM 0 HD21 ASN A 69 -5.030 18.242 -6.093 1.00 1.00 H new ATOM 0 HD22 ASN A 69 -3.825 19.277 -5.319 1.00 1.00 H new ATOM 1085 N GLY A 70 -3.722 18.290 0.633 1.00 1.00 N ATOM 1086 CA GLY A 70 -2.843 18.230 1.788 1.00 1.00 C ATOM 1087 C GLY A 70 -3.527 17.438 2.904 1.00 1.00 C ATOM 1088 O GLY A 70 -3.189 17.658 4.076 1.00 1.00 O ATOM 0 H GLY A 70 -4.705 18.436 0.862 1.00 1.00 H new ATOM 0 HA2 GLY A 70 -1.899 17.757 1.517 1.00 1.00 H new ATOM 0 HA3 GLY A 70 -2.608 19.237 2.133 1.00 1.00 H new ATOM 1092 N PHE A 71 -4.459 16.545 2.524 1.00 1.00 N ATOM 1093 CA PHE A 71 -5.181 15.729 3.486 1.00 1.00 C ATOM 1094 C PHE A 71 -6.162 14.821 2.742 1.00 1.00 C ATOM 1095 O PHE A 71 -6.874 14.033 3.364 1.00 1.00 O ATOM 1096 CB PHE A 71 -5.926 16.649 4.472 1.00 1.00 C ATOM 1097 CG PHE A 71 -7.221 17.242 3.933 1.00 1.00 C ATOM 1098 CD1 PHE A 71 -7.334 17.567 2.562 1.00 1.00 C ATOM 1099 CD2 PHE A 71 -8.319 17.465 4.797 1.00 1.00 C ATOM 1100 CE1 PHE A 71 -8.534 18.113 2.058 1.00 1.00 C ATOM 1101 CE2 PHE A 71 -9.519 18.011 4.292 1.00 1.00 C ATOM 1102 CZ PHE A 71 -9.626 18.336 2.923 1.00 1.00 C ATOM 0 H PHE A 71 -4.722 16.379 1.553 1.00 1.00 H new ATOM 0 HA PHE A 71 -4.487 15.104 4.048 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -6.150 16.084 5.377 1.00 1.00 H new ATOM 0 HB3 PHE A 71 -5.262 17.463 4.761 1.00 1.00 H new ATOM 0 HD1 PHE A 71 -6.499 17.397 1.898 1.00 1.00 H new ATOM 0 HD2 PHE A 71 -8.239 17.217 5.845 1.00 1.00 H new ATOM 0 HE1 PHE A 71 -8.616 18.360 1.010 1.00 1.00 H new ATOM 0 HE2 PHE A 71 -10.356 18.180 4.954 1.00 1.00 H new ATOM 0 HZ PHE A 71 -10.544 18.755 2.538 1.00 1.00 H new TER 1112 PHE A 71