USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 599 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 35 HIS : no HE2:sc= 1.27 K(o=1.3,f=-6.5!) USER MOD Set 1.2: A 74 ASN : amide:sc= -0.0053 K(o=1.3,f=-0.012) USER MOD Set 2.1: A 23 ASN : amide:sc= 0.859 K(o=2.1,f=-4.1!) USER MOD Set 2.2: A 84 TYR OH : rot 8:sc= 1.28 USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.0474 (180deg=-0.0474) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl -159:sc= -0.268 (180deg=-0.943) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.11 K(o=-1.1,f=-7.5!) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 15 THR OG1 : rot -28:sc= 0.776 USER MOD Single : A 17 SER OG : rot 180:sc= 0.0186 USER MOD Single : A 21 LYS NZ :NH3+ 165:sc= -0.0545 (180deg=-0.263) USER MOD Single : A 22 GLN : amide:sc= 0.923 K(o=0.92,f=-0.35) USER MOD Single : A 25 ASN : amide:sc= 0.756 K(o=0.76,f=-6.3!) USER MOD Single : A 26 THR OG1 : rot -74:sc= -0.308 USER MOD Single : A 33 ASN : amide:sc= 0.144 X(o=0.14,f=0) USER MOD Single : A 37 MET CE :methyl 160:sc= -0.25 (180deg=-0.42) USER MOD Single : A 39 THR OG1 : rot -109:sc= 0.327 USER MOD Single : A 42 SER OG : rot 180:sc= -0.483 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.55) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0387 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 1.83 K(o=1.8,f=-3.2!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0895 USER MOD Single : A 76 ASN : amide:sc= -0.0504 K(o=-0.05,f=-1.2) USER MOD Single : A 77 THR OG1 : rot 76:sc= 0.929 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 88:sc= 1.74 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.141 -6.458 -6.791 1.00 0.00 N ATOM 2 CA GLY A 1 13.171 -7.049 -7.721 1.00 0.00 C ATOM 3 C GLY A 1 13.010 -6.249 -9.018 1.00 0.00 C ATOM 4 O GLY A 1 12.233 -6.648 -9.879 1.00 0.00 O ATOM 0 H1 GLY A 1 14.204 -7.045 -5.935 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.074 -6.410 -7.247 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.833 -5.499 -6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.484 -8.064 -7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.203 -7.124 -7.226 1.00 0.00 H new ATOM 7 N ASP A 2 13.748 -5.143 -9.194 1.00 0.00 N ATOM 8 CA ASP A 2 13.677 -4.181 -10.295 1.00 0.00 C ATOM 9 C ASP A 2 12.353 -3.418 -10.222 1.00 0.00 C ATOM 10 O ASP A 2 12.358 -2.203 -10.033 1.00 0.00 O ATOM 11 CB ASP A 2 13.966 -4.773 -11.685 1.00 0.00 C ATOM 12 CG ASP A 2 13.552 -3.793 -12.761 1.00 0.00 C ATOM 13 OD1 ASP A 2 14.045 -2.650 -12.683 1.00 0.00 O ATOM 14 OD2 ASP A 2 12.804 -4.179 -13.678 1.00 0.00 O ATOM 0 H ASP A 2 14.464 -4.881 -8.516 1.00 0.00 H new ATOM 0 HA ASP A 2 14.496 -3.474 -10.160 1.00 0.00 H new ATOM 0 HB2 ASP A 2 15.028 -5.001 -11.779 1.00 0.00 H new ATOM 0 HB3 ASP A 2 13.426 -5.712 -11.809 1.00 0.00 H new ATOM 19 N GLY A 3 11.227 -4.119 -10.283 1.00 0.00 N ATOM 20 CA GLY A 3 9.993 -3.557 -9.779 1.00 0.00 C ATOM 21 C GLY A 3 10.034 -3.524 -8.260 1.00 0.00 C ATOM 22 O GLY A 3 10.637 -4.395 -7.627 1.00 0.00 O ATOM 0 H GLY A 3 11.148 -5.060 -10.670 1.00 0.00 H new ATOM 0 HA2 GLY A 3 9.853 -2.550 -10.172 1.00 0.00 H new ATOM 0 HA3 GLY A 3 9.145 -4.152 -10.118 1.00 0.00 H new ATOM 26 N TYR A 4 9.372 -2.529 -7.682 1.00 0.00 N ATOM 27 CA TYR A 4 9.174 -2.358 -6.254 1.00 0.00 C ATOM 28 C TYR A 4 7.684 -2.160 -6.007 1.00 0.00 C ATOM 29 O TYR A 4 6.901 -1.987 -6.945 1.00 0.00 O ATOM 30 CB TYR A 4 9.937 -1.126 -5.752 1.00 0.00 C ATOM 31 CG TYR A 4 9.775 0.122 -6.604 1.00 0.00 C ATOM 32 CD1 TYR A 4 10.579 0.322 -7.742 1.00 0.00 C ATOM 33 CD2 TYR A 4 8.829 1.098 -6.239 1.00 0.00 C ATOM 34 CE1 TYR A 4 10.463 1.507 -8.489 1.00 0.00 C ATOM 35 CE2 TYR A 4 8.714 2.280 -6.987 1.00 0.00 C ATOM 36 CZ TYR A 4 9.547 2.494 -8.096 1.00 0.00 C ATOM 37 OH TYR A 4 9.404 3.637 -8.824 1.00 0.00 O ATOM 0 H TYR A 4 8.938 -1.784 -8.227 1.00 0.00 H new ATOM 0 HA TYR A 4 9.544 -3.235 -5.723 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.606 -0.901 -4.738 1.00 0.00 H new ATOM 0 HB3 TYR A 4 10.997 -1.373 -5.694 1.00 0.00 H new ATOM 0 HD1 TYR A 4 11.287 -0.437 -8.042 1.00 0.00 H new ATOM 0 HD2 TYR A 4 8.191 0.937 -5.383 1.00 0.00 H new ATOM 0 HE1 TYR A 4 11.078 1.657 -9.364 1.00 0.00 H new ATOM 0 HE2 TYR A 4 7.984 3.026 -6.709 1.00 0.00 H new ATOM 0 HH TYR A 4 8.725 4.208 -8.407 1.00 0.00 H new ATOM 47 N LEU A 5 7.308 -2.154 -4.732 1.00 0.00 N ATOM 48 CA LEU A 5 6.041 -1.605 -4.279 1.00 0.00 C ATOM 49 C LEU A 5 6.297 -0.963 -2.928 1.00 0.00 C ATOM 50 O LEU A 5 6.858 -1.610 -2.044 1.00 0.00 O ATOM 51 CB LEU A 5 4.945 -2.675 -4.200 1.00 0.00 C ATOM 52 CG LEU A 5 3.572 -2.033 -3.889 1.00 0.00 C ATOM 53 CD1 LEU A 5 2.473 -2.629 -4.765 1.00 0.00 C ATOM 54 CD2 LEU A 5 3.130 -2.242 -2.434 1.00 0.00 C ATOM 0 H LEU A 5 7.882 -2.534 -3.979 1.00 0.00 H new ATOM 0 HA LEU A 5 5.672 -0.867 -4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.892 -3.218 -5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.195 -3.402 -3.427 1.00 0.00 H new ATOM 0 HG LEU A 5 3.708 -0.969 -4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.520 -2.158 -4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.709 -2.453 -5.815 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.404 -3.702 -4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.160 -1.769 -2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.051 -3.309 -2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.864 -1.796 -1.763 1.00 0.00 H new ATOM 66 N ILE A 6 5.925 0.300 -2.802 1.00 0.00 N ATOM 67 CA ILE A 6 6.090 1.134 -1.623 1.00 0.00 C ATOM 68 C ILE A 6 4.830 1.981 -1.534 1.00 0.00 C ATOM 69 O ILE A 6 4.058 2.010 -2.499 1.00 0.00 O ATOM 70 CB ILE A 6 7.319 2.049 -1.808 1.00 0.00 C ATOM 71 CG1 ILE A 6 7.178 2.943 -3.062 1.00 0.00 C ATOM 72 CG2 ILE A 6 8.611 1.226 -1.841 1.00 0.00 C ATOM 73 CD1 ILE A 6 8.474 3.664 -3.436 1.00 0.00 C ATOM 0 H ILE A 6 5.472 0.801 -3.567 1.00 0.00 H new ATOM 0 HA ILE A 6 6.240 0.539 -0.722 1.00 0.00 H new ATOM 0 HB ILE A 6 7.372 2.716 -0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.855 2.330 -3.903 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.396 3.682 -2.888 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.464 1.892 -1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.718 0.680 -0.904 1.00 0.00 H new ATOM 0 HG23 ILE A 6 8.571 0.520 -2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.308 4.274 -4.324 1.00 0.00 H new ATOM 0 HD12 ILE A 6 8.786 4.303 -2.610 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.253 2.930 -3.641 1.00 0.00 H new ATOM 85 N MET A 7 4.623 2.714 -0.444 1.00 0.00 N ATOM 86 CA MET A 7 3.737 3.836 -0.472 1.00 0.00 C ATOM 87 C MET A 7 4.503 5.110 -0.173 1.00 0.00 C ATOM 88 O MET A 7 5.680 5.092 0.178 1.00 0.00 O ATOM 89 CB MET A 7 2.480 3.565 0.342 1.00 0.00 C ATOM 90 CG MET A 7 2.526 3.956 1.813 1.00 0.00 C ATOM 91 SD MET A 7 0.940 3.800 2.671 1.00 0.00 S ATOM 92 CE MET A 7 -0.160 4.798 1.637 1.00 0.00 C ATOM 0 H MET A 7 5.063 2.539 0.459 1.00 0.00 H new ATOM 0 HA MET A 7 3.339 3.999 -1.473 1.00 0.00 H new ATOM 0 HB2 MET A 7 1.650 4.094 -0.126 1.00 0.00 H new ATOM 0 HB3 MET A 7 2.255 2.500 0.279 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.264 3.334 2.320 1.00 0.00 H new ATOM 0 HG3 MET A 7 2.870 4.987 1.893 1.00 0.00 H new ATOM 0 HE1 MET A 7 -1.034 5.095 2.217 1.00 0.00 H new ATOM 0 HE2 MET A 7 0.369 5.688 1.296 1.00 0.00 H new ATOM 0 HE3 MET A 7 -0.479 4.213 0.775 1.00 0.00 H new ATOM 102 N CYS A 8 3.833 6.226 -0.407 1.00 0.00 N ATOM 103 CA CYS A 8 4.423 7.519 -0.631 1.00 0.00 C ATOM 104 C CYS A 8 3.407 8.573 -0.274 1.00 0.00 C ATOM 105 O CYS A 8 2.217 8.293 -0.120 1.00 0.00 O ATOM 106 CB CYS A 8 4.750 7.681 -2.118 1.00 0.00 C ATOM 107 SG CYS A 8 5.957 6.570 -2.860 1.00 0.00 S ATOM 0 H CYS A 8 2.814 6.247 -0.446 1.00 0.00 H new ATOM 0 HA CYS A 8 5.327 7.616 -0.030 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.819 7.578 -2.675 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.101 8.701 -2.271 1.00 0.00 H new ATOM 112 N LYS A 9 3.889 9.804 -0.155 1.00 0.00 N ATOM 113 CA LYS A 9 3.014 10.959 -0.007 1.00 0.00 C ATOM 114 C LYS A 9 2.504 11.569 -1.296 1.00 0.00 C ATOM 115 O LYS A 9 1.524 12.312 -1.302 1.00 0.00 O ATOM 116 CB LYS A 9 3.668 11.996 0.880 1.00 0.00 C ATOM 117 CG LYS A 9 5.060 12.393 0.406 1.00 0.00 C ATOM 118 CD LYS A 9 5.486 13.745 0.999 1.00 0.00 C ATOM 119 CE LYS A 9 6.389 14.539 0.038 1.00 0.00 C ATOM 120 NZ LYS A 9 6.551 15.941 0.469 1.00 0.00 N ATOM 0 H LYS A 9 4.884 10.028 -0.158 1.00 0.00 H new ATOM 0 HA LYS A 9 2.111 10.576 0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.036 12.884 0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.733 11.607 1.896 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.778 11.625 0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.074 12.450 -0.682 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.599 14.334 1.232 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.014 13.579 1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.367 14.061 -0.019 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.963 14.514 -0.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.166 16.442 -0.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.621 16.405 0.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.981 15.966 1.415 1.00 0.00 H new ATOM 134 N ASN A 10 3.199 11.292 -2.379 1.00 0.00 N ATOM 135 CA ASN A 10 2.747 11.660 -3.714 1.00 0.00 C ATOM 136 C ASN A 10 2.961 10.540 -4.710 1.00 0.00 C ATOM 137 O ASN A 10 3.372 9.439 -4.353 1.00 0.00 O ATOM 138 CB ASN A 10 3.370 12.978 -4.182 1.00 0.00 C ATOM 139 CG ASN A 10 4.839 12.904 -4.556 1.00 0.00 C ATOM 140 OD1 ASN A 10 5.405 11.835 -4.743 1.00 0.00 O ATOM 141 ND2 ASN A 10 5.476 14.058 -4.645 1.00 0.00 N ATOM 0 H ASN A 10 4.095 10.805 -2.364 1.00 0.00 H new ATOM 0 HA ASN A 10 1.671 11.825 -3.655 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.810 13.339 -5.045 1.00 0.00 H new ATOM 0 HB3 ASN A 10 3.250 13.719 -3.391 1.00 0.00 H new ATOM 0 HD21 ASN A 10 6.469 14.076 -4.876 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.974 14.931 -4.483 1.00 0.00 H new ATOM 148 N CYS A 11 2.660 10.841 -5.968 1.00 0.00 N ATOM 149 CA CYS A 11 2.596 9.870 -7.042 1.00 0.00 C ATOM 150 C CYS A 11 3.944 9.679 -7.733 1.00 0.00 C ATOM 151 O CYS A 11 4.054 8.905 -8.687 1.00 0.00 O ATOM 152 CB CYS A 11 1.572 10.434 -8.028 1.00 0.00 C ATOM 153 SG CYS A 11 1.077 9.390 -9.406 1.00 0.00 S ATOM 0 H CYS A 11 2.449 11.792 -6.272 1.00 0.00 H new ATOM 0 HA CYS A 11 2.319 8.888 -6.659 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.675 10.697 -7.467 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.975 11.361 -8.437 1.00 0.00 H new ATOM 158 N ASP A 12 4.988 10.345 -7.226 1.00 0.00 N ATOM 159 CA ASP A 12 6.313 10.349 -7.830 1.00 0.00 C ATOM 160 C ASP A 12 7.397 10.217 -6.768 1.00 0.00 C ATOM 161 O ASP A 12 7.832 11.239 -6.239 1.00 0.00 O ATOM 162 CB ASP A 12 6.514 11.671 -8.567 1.00 0.00 C ATOM 163 CG ASP A 12 7.841 11.702 -9.308 1.00 0.00 C ATOM 164 OD1 ASP A 12 8.592 10.702 -9.260 1.00 0.00 O ATOM 165 OD2 ASP A 12 8.115 12.749 -9.929 1.00 0.00 O ATOM 0 H ASP A 12 4.929 10.902 -6.373 1.00 0.00 H new ATOM 0 HA ASP A 12 6.386 9.504 -8.515 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.698 11.822 -9.274 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.475 12.495 -7.855 1.00 0.00 H new ATOM 170 N PRO A 13 7.884 9.005 -6.476 1.00 0.00 N ATOM 171 CA PRO A 13 8.971 8.782 -5.540 1.00 0.00 C ATOM 172 C PRO A 13 10.182 9.706 -5.732 1.00 0.00 C ATOM 173 O PRO A 13 10.898 9.951 -4.761 1.00 0.00 O ATOM 174 CB PRO A 13 9.337 7.303 -5.660 1.00 0.00 C ATOM 175 CG PRO A 13 8.041 6.654 -6.151 1.00 0.00 C ATOM 176 CD PRO A 13 7.380 7.749 -6.991 1.00 0.00 C ATOM 0 HA PRO A 13 8.639 9.034 -4.533 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.155 7.148 -6.363 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.656 6.889 -4.703 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.240 5.761 -6.743 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.406 6.350 -5.319 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.626 7.633 -8.047 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.294 7.701 -6.910 1.00 0.00 H new ATOM 184 N ASN A 14 10.398 10.281 -6.921 1.00 0.00 N ATOM 185 CA ASN A 14 11.498 11.221 -7.095 1.00 0.00 C ATOM 186 C ASN A 14 11.280 12.452 -6.220 1.00 0.00 C ATOM 187 O ASN A 14 12.204 12.919 -5.564 1.00 0.00 O ATOM 188 CB ASN A 14 11.646 11.644 -8.556 1.00 0.00 C ATOM 189 CG ASN A 14 12.847 12.566 -8.756 1.00 0.00 C ATOM 190 OD1 ASN A 14 13.781 12.582 -7.959 1.00 0.00 O ATOM 191 ND2 ASN A 14 12.862 13.339 -9.834 1.00 0.00 N ATOM 0 H ASN A 14 9.837 10.114 -7.756 1.00 0.00 H new ATOM 0 HA ASN A 14 12.417 10.718 -6.793 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.758 10.759 -9.182 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.738 12.152 -8.882 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.656 13.956 -10.008 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.080 13.317 -10.489 1.00 0.00 H new ATOM 198 N THR A 15 10.050 12.952 -6.143 1.00 0.00 N ATOM 199 CA THR A 15 9.678 14.060 -5.262 1.00 0.00 C ATOM 200 C THR A 15 8.750 13.574 -4.133 1.00 0.00 C ATOM 201 O THR A 15 8.120 14.370 -3.435 1.00 0.00 O ATOM 202 CB THR A 15 9.151 15.224 -6.128 1.00 0.00 C ATOM 203 OG1 THR A 15 8.621 16.270 -5.346 1.00 0.00 O ATOM 204 CG2 THR A 15 8.094 14.793 -7.144 1.00 0.00 C ATOM 0 H THR A 15 9.272 12.596 -6.697 1.00 0.00 H new ATOM 0 HA THR A 15 10.539 14.458 -4.725 1.00 0.00 H new ATOM 0 HB THR A 15 10.027 15.578 -6.672 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.278 15.907 -4.503 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.767 15.660 -7.719 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.519 14.050 -7.818 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.241 14.362 -6.621 1.00 0.00 H new ATOM 212 N GLY A 16 8.657 12.263 -3.934 1.00 0.00 N ATOM 213 CA GLY A 16 7.869 11.634 -2.899 1.00 0.00 C ATOM 214 C GLY A 16 8.783 11.015 -1.861 1.00 0.00 C ATOM 215 O GLY A 16 9.567 10.113 -2.155 1.00 0.00 O ATOM 0 H GLY A 16 9.152 11.589 -4.518 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.216 12.369 -2.429 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.226 10.868 -3.334 1.00 0.00 H new ATOM 219 N SER A 17 8.623 11.471 -0.627 1.00 0.00 N ATOM 220 CA SER A 17 9.071 10.723 0.529 1.00 0.00 C ATOM 221 C SER A 17 8.217 9.462 0.559 1.00 0.00 C ATOM 222 O SER A 17 6.987 9.569 0.508 1.00 0.00 O ATOM 223 CB SER A 17 8.869 11.557 1.796 1.00 0.00 C ATOM 224 OG SER A 17 9.256 12.899 1.546 1.00 0.00 O ATOM 0 H SER A 17 8.182 12.363 -0.404 1.00 0.00 H new ATOM 0 HA SER A 17 10.131 10.476 0.477 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.825 11.520 2.106 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.459 11.144 2.614 1.00 0.00 H new ATOM 0 HG SER A 17 9.125 13.434 2.357 1.00 0.00 H new ATOM 230 N CYS A 18 8.845 8.295 0.545 1.00 0.00 N ATOM 231 CA CYS A 18 8.162 7.036 0.407 1.00 0.00 C ATOM 232 C CYS A 18 8.746 6.059 1.404 1.00 0.00 C ATOM 233 O CYS A 18 9.882 6.246 1.843 1.00 0.00 O ATOM 234 CB CYS A 18 8.449 6.502 -0.984 1.00 0.00 C ATOM 235 SG CYS A 18 7.810 7.401 -2.406 1.00 0.00 S ATOM 0 H CYS A 18 9.857 8.205 0.631 1.00 0.00 H new ATOM 0 HA CYS A 18 7.092 7.161 0.572 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.531 6.435 -1.095 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.060 5.485 -1.034 1.00 0.00 H new ATOM 240 N ASP A 19 8.008 5.005 1.742 1.00 0.00 N ATOM 241 CA ASP A 19 8.560 3.902 2.497 1.00 0.00 C ATOM 242 C ASP A 19 9.083 2.842 1.544 1.00 0.00 C ATOM 243 O ASP A 19 8.460 1.817 1.287 1.00 0.00 O ATOM 244 CB ASP A 19 7.522 3.343 3.474 1.00 0.00 C ATOM 245 CG ASP A 19 6.096 3.244 2.966 1.00 0.00 C ATOM 246 OD1 ASP A 19 5.786 2.361 2.138 1.00 0.00 O ATOM 247 OD2 ASP A 19 5.306 4.076 3.464 1.00 0.00 O ATOM 0 H ASP A 19 7.023 4.899 1.500 1.00 0.00 H new ATOM 0 HA ASP A 19 9.399 4.254 3.097 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.844 2.348 3.781 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.523 3.968 4.367 1.00 0.00 H new ATOM 252 N TRP A 20 10.372 2.970 1.250 1.00 0.00 N ATOM 253 CA TRP A 20 11.197 1.915 0.685 1.00 0.00 C ATOM 254 C TRP A 20 11.706 1.042 1.829 1.00 0.00 C ATOM 255 O TRP A 20 12.881 0.677 1.869 1.00 0.00 O ATOM 256 CB TRP A 20 12.341 2.533 -0.123 1.00 0.00 C ATOM 257 CG TRP A 20 11.949 3.440 -1.249 1.00 0.00 C ATOM 258 CD1 TRP A 20 11.625 4.747 -1.135 1.00 0.00 C ATOM 259 CD2 TRP A 20 11.900 3.146 -2.676 1.00 0.00 C ATOM 260 NE1 TRP A 20 11.476 5.299 -2.390 1.00 0.00 N ATOM 261 CE2 TRP A 20 11.639 4.358 -3.381 1.00 0.00 C ATOM 262 CE3 TRP A 20 12.045 1.974 -3.442 1.00 0.00 C ATOM 263 CZ2 TRP A 20 11.579 4.413 -4.780 1.00 0.00 C ATOM 264 CZ3 TRP A 20 11.951 2.012 -4.843 1.00 0.00 C ATOM 265 CH2 TRP A 20 11.758 3.231 -5.514 1.00 0.00 C ATOM 0 H TRP A 20 10.885 3.838 1.404 1.00 0.00 H new ATOM 0 HA TRP A 20 10.622 1.290 0.001 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.978 3.094 0.561 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.946 1.724 -0.531 1.00 0.00 H new ATOM 0 HD1 TRP A 20 11.502 5.278 -0.203 1.00 0.00 H new ATOM 0 HE1 TRP A 20 11.270 6.283 -2.562 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.231 1.033 -2.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 11.398 5.350 -5.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 12.028 1.096 -5.409 1.00 0.00 H new ATOM 0 HH2 TRP A 20 11.747 3.258 -6.594 1.00 0.00 H new ATOM 276 N LYS A 21 10.834 0.730 2.781 1.00 0.00 N ATOM 277 CA LYS A 21 11.030 -0.329 3.751 1.00 0.00 C ATOM 278 C LYS A 21 10.171 -1.487 3.262 1.00 0.00 C ATOM 279 O LYS A 21 9.311 -1.307 2.398 1.00 0.00 O ATOM 280 CB LYS A 21 10.582 0.129 5.150 1.00 0.00 C ATOM 281 CG LYS A 21 11.791 0.304 6.074 1.00 0.00 C ATOM 282 CD LYS A 21 12.699 1.453 5.616 1.00 0.00 C ATOM 283 CE LYS A 21 12.077 2.840 5.838 1.00 0.00 C ATOM 284 NZ LYS A 21 11.759 3.092 7.258 1.00 0.00 N ATOM 0 H LYS A 21 9.949 1.223 2.898 1.00 0.00 H new ATOM 0 HA LYS A 21 12.079 -0.612 3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.037 1.070 5.073 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.895 -0.603 5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.447 0.496 7.090 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.364 -0.623 6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.646 1.396 6.153 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.926 1.329 4.557 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.766 3.606 5.481 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.168 2.927 5.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.585 4.107 7.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.909 2.555 7.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.559 2.792 7.851 1.00 0.00 H new ATOM 298 N GLN A 22 10.374 -2.668 3.835 1.00 0.00 N ATOM 299 CA GLN A 22 9.535 -3.796 3.507 1.00 0.00 C ATOM 300 C GLN A 22 8.102 -3.506 3.950 1.00 0.00 C ATOM 301 O GLN A 22 7.861 -2.956 5.027 1.00 0.00 O ATOM 302 CB GLN A 22 10.069 -5.042 4.212 1.00 0.00 C ATOM 303 CG GLN A 22 9.438 -6.337 3.702 1.00 0.00 C ATOM 304 CD GLN A 22 10.253 -7.565 4.087 1.00 0.00 C ATOM 305 OE1 GLN A 22 11.466 -7.588 3.891 1.00 0.00 O ATOM 306 NE2 GLN A 22 9.613 -8.599 4.619 1.00 0.00 N ATOM 0 H GLN A 22 11.105 -2.860 4.520 1.00 0.00 H new ATOM 0 HA GLN A 22 9.543 -3.967 2.431 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.149 -5.094 4.077 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.886 -4.953 5.283 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.430 -6.431 4.105 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.344 -6.291 2.617 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.605 -8.552 4.770 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.129 -9.440 4.876 1.00 0.00 H new ATOM 315 N ASN A 23 7.168 -3.989 3.143 1.00 0.00 N ATOM 316 CA ASN A 23 5.734 -4.105 3.407 1.00 0.00 C ATOM 317 C ASN A 23 5.292 -5.564 3.268 1.00 0.00 C ATOM 318 O ASN A 23 4.155 -5.897 3.602 1.00 0.00 O ATOM 319 CB ASN A 23 4.894 -3.147 2.540 1.00 0.00 C ATOM 320 CG ASN A 23 5.307 -3.115 1.073 1.00 0.00 C ATOM 321 OD1 ASN A 23 5.132 -4.084 0.339 1.00 0.00 O ATOM 322 ND2 ASN A 23 5.931 -2.034 0.635 1.00 0.00 N ATOM 0 H ASN A 23 7.408 -4.338 2.215 1.00 0.00 H new ATOM 0 HA ASN A 23 5.553 -3.794 4.436 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.846 -3.439 2.605 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.971 -2.140 2.950 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.275 -1.997 -0.325 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.069 -1.237 1.257 1.00 0.00 H new ATOM 329 N TRP A 24 6.170 -6.454 2.782 1.00 0.00 N ATOM 330 CA TRP A 24 5.965 -7.896 2.799 1.00 0.00 C ATOM 331 C TRP A 24 5.775 -8.383 4.237 1.00 0.00 C ATOM 332 O TRP A 24 6.750 -8.657 4.933 1.00 0.00 O ATOM 333 CB TRP A 24 7.138 -8.613 2.102 1.00 0.00 C ATOM 334 CG TRP A 24 6.875 -9.154 0.733 1.00 0.00 C ATOM 335 CD1 TRP A 24 7.629 -8.908 -0.360 1.00 0.00 C ATOM 336 CD2 TRP A 24 5.814 -10.057 0.292 1.00 0.00 C ATOM 337 NE1 TRP A 24 7.106 -9.580 -1.440 1.00 0.00 N ATOM 338 CE2 TRP A 24 5.993 -10.313 -1.099 1.00 0.00 C ATOM 339 CE3 TRP A 24 4.695 -10.653 0.914 1.00 0.00 C ATOM 340 CZ2 TRP A 24 5.114 -11.114 -1.837 1.00 0.00 C ATOM 341 CZ3 TRP A 24 3.805 -11.462 0.184 1.00 0.00 C ATOM 342 CH2 TRP A 24 4.019 -11.699 -1.185 1.00 0.00 C ATOM 0 H TRP A 24 7.057 -6.179 2.360 1.00 0.00 H new ATOM 0 HA TRP A 24 5.058 -8.137 2.244 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.973 -7.916 2.038 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.459 -9.438 2.738 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.507 -8.280 -0.383 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.497 -9.540 -2.381 1.00 0.00 H new ATOM 0 HE3 TRP A 24 4.520 -10.485 1.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.276 -11.279 -2.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.952 -11.904 0.678 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.339 -12.332 -1.735 1.00 0.00 H new ATOM 353 N ASN A 25 4.512 -8.483 4.657 1.00 0.00 N ATOM 354 CA ASN A 25 4.096 -8.891 5.993 1.00 0.00 C ATOM 355 C ASN A 25 4.980 -8.263 7.067 1.00 0.00 C ATOM 356 O ASN A 25 5.539 -8.923 7.944 1.00 0.00 O ATOM 357 CB ASN A 25 3.928 -10.413 6.099 1.00 0.00 C ATOM 358 CG ASN A 25 2.537 -10.826 5.630 1.00 0.00 C ATOM 359 OD1 ASN A 25 1.530 -10.383 6.194 1.00 0.00 O ATOM 360 ND2 ASN A 25 2.453 -11.651 4.591 1.00 0.00 N ATOM 0 H ASN A 25 3.722 -8.272 4.048 1.00 0.00 H new ATOM 0 HA ASN A 25 3.099 -8.495 6.183 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.686 -10.912 5.495 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.081 -10.732 7.130 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.539 -11.935 4.238 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.302 -12.000 4.147 1.00 0.00 H new ATOM 367 N THR A 26 5.044 -6.941 7.020 1.00 0.00 N ATOM 368 CA THR A 26 5.735 -6.067 7.936 1.00 0.00 C ATOM 369 C THR A 26 4.738 -4.927 8.120 1.00 0.00 C ATOM 370 O THR A 26 4.205 -4.415 7.140 1.00 0.00 O ATOM 371 CB THR A 26 7.055 -5.630 7.289 1.00 0.00 C ATOM 372 OG1 THR A 26 6.867 -5.366 5.917 1.00 0.00 O ATOM 373 CG2 THR A 26 8.106 -6.736 7.381 1.00 0.00 C ATOM 0 H THR A 26 4.575 -6.418 6.280 1.00 0.00 H new ATOM 0 HA THR A 26 6.013 -6.504 8.895 1.00 0.00 H new ATOM 0 HB THR A 26 7.387 -4.739 7.822 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.767 -6.212 5.432 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.031 -6.398 6.914 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.293 -6.974 8.428 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.744 -7.626 6.866 1.00 0.00 H new ATOM 381 N CYS A 27 4.359 -4.636 9.355 1.00 0.00 N ATOM 382 CA CYS A 27 3.227 -3.798 9.694 1.00 0.00 C ATOM 383 C CYS A 27 3.589 -2.333 9.446 1.00 0.00 C ATOM 384 O CYS A 27 4.020 -1.630 10.362 1.00 0.00 O ATOM 385 CB CYS A 27 2.866 -4.076 11.156 1.00 0.00 C ATOM 386 SG CYS A 27 1.300 -3.417 11.745 1.00 0.00 S ATOM 0 H CYS A 27 4.851 -4.991 10.175 1.00 0.00 H new ATOM 0 HA CYS A 27 2.358 -4.018 9.074 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.857 -5.156 11.304 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.661 -3.675 11.784 1.00 0.00 H new ATOM 391 N VAL A 28 3.450 -1.844 8.214 1.00 0.00 N ATOM 392 CA VAL A 28 3.960 -0.525 7.866 1.00 0.00 C ATOM 393 C VAL A 28 2.918 0.505 8.279 1.00 0.00 C ATOM 394 O VAL A 28 1.769 0.417 7.850 1.00 0.00 O ATOM 395 CB VAL A 28 4.271 -0.429 6.363 1.00 0.00 C ATOM 396 CG1 VAL A 28 4.635 1.011 5.980 1.00 0.00 C ATOM 397 CG2 VAL A 28 5.435 -1.359 6.011 1.00 0.00 C ATOM 0 H VAL A 28 2.992 -2.339 7.449 1.00 0.00 H new ATOM 0 HA VAL A 28 4.896 -0.338 8.391 1.00 0.00 H new ATOM 0 HB VAL A 28 3.383 -0.729 5.807 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.852 1.060 4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.799 1.671 6.211 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.513 1.327 6.544 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.650 -1.286 4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.318 -1.068 6.580 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.167 -2.386 6.257 1.00 0.00 H new ATOM 407 N GLY A 29 3.312 1.442 9.140 1.00 0.00 N ATOM 408 CA GLY A 29 2.499 2.568 9.554 1.00 0.00 C ATOM 409 C GLY A 29 2.384 3.607 8.439 1.00 0.00 C ATOM 410 O GLY A 29 3.251 3.689 7.566 1.00 0.00 O ATOM 0 H GLY A 29 4.233 1.432 9.577 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.505 2.219 9.833 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.936 3.029 10.440 1.00 0.00 H new ATOM 414 N ILE A 30 1.304 4.383 8.467 1.00 0.00 N ATOM 415 CA ILE A 30 0.956 5.417 7.508 1.00 0.00 C ATOM 416 C ILE A 30 0.666 6.688 8.303 1.00 0.00 C ATOM 417 O ILE A 30 0.059 6.625 9.376 1.00 0.00 O ATOM 418 CB ILE A 30 -0.297 4.990 6.712 1.00 0.00 C ATOM 419 CG1 ILE A 30 -0.069 3.624 6.042 1.00 0.00 C ATOM 420 CG2 ILE A 30 -0.658 6.062 5.672 1.00 0.00 C ATOM 421 CD1 ILE A 30 -1.292 3.102 5.281 1.00 0.00 C ATOM 0 H ILE A 30 0.608 4.298 9.208 1.00 0.00 H new ATOM 0 HA ILE A 30 1.767 5.583 6.799 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.135 4.890 7.402 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.771 3.703 5.352 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.212 2.897 6.804 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.543 5.748 5.118 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.862 7.006 6.178 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.175 6.194 4.981 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.058 2.135 4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.129 2.990 5.970 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.561 3.808 4.496 1.00 0.00 H new ATOM 433 N GLY A 31 1.069 7.841 7.775 1.00 0.00 N ATOM 434 CA GLY A 31 0.662 9.135 8.275 1.00 0.00 C ATOM 435 C GLY A 31 1.456 10.232 7.581 1.00 0.00 C ATOM 436 O GLY A 31 2.439 9.958 6.895 1.00 0.00 O ATOM 0 H GLY A 31 1.698 7.894 6.974 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.404 9.282 8.103 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.821 9.185 9.352 1.00 0.00 H new ATOM 440 N ALA A 32 1.029 11.476 7.772 1.00 0.00 N ATOM 441 CA ALA A 32 1.726 12.677 7.342 1.00 0.00 C ATOM 442 C ALA A 32 1.940 12.795 5.839 1.00 0.00 C ATOM 443 O ALA A 32 3.050 12.734 5.323 1.00 0.00 O ATOM 444 CB ALA A 32 3.005 12.908 8.156 1.00 0.00 C ATOM 0 H ALA A 32 0.152 11.680 8.250 1.00 0.00 H new ATOM 0 HA ALA A 32 1.045 13.499 7.563 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.500 13.814 7.807 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.751 13.016 9.210 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.675 12.058 8.030 1.00 0.00 H new ATOM 450 N ASN A 33 0.835 13.076 5.150 1.00 0.00 N ATOM 451 CA ASN A 33 0.684 13.220 3.706 1.00 0.00 C ATOM 452 C ASN A 33 0.857 11.890 3.000 1.00 0.00 C ATOM 453 O ASN A 33 0.733 11.851 1.783 1.00 0.00 O ATOM 454 CB ASN A 33 1.718 14.172 3.067 1.00 0.00 C ATOM 455 CG ASN A 33 1.910 15.505 3.760 1.00 0.00 C ATOM 456 OD1 ASN A 33 1.257 16.490 3.426 1.00 0.00 O ATOM 457 ND2 ASN A 33 2.827 15.568 4.721 1.00 0.00 N ATOM 0 H ASN A 33 -0.053 13.221 5.631 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.320 13.627 3.582 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.680 13.661 3.032 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.420 14.361 2.036 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.003 16.451 5.201 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.355 14.734 4.978 1.00 0.00 H new ATOM 464 N VAL A 34 1.054 10.793 3.721 1.00 0.00 N ATOM 465 CA VAL A 34 1.347 9.518 3.062 1.00 0.00 C ATOM 466 C VAL A 34 0.012 8.893 2.651 1.00 0.00 C ATOM 467 O VAL A 34 -0.675 8.315 3.492 1.00 0.00 O ATOM 468 CB VAL A 34 2.215 8.628 3.964 1.00 0.00 C ATOM 469 CG1 VAL A 34 2.431 7.240 3.354 1.00 0.00 C ATOM 470 CG2 VAL A 34 3.602 9.269 4.134 1.00 0.00 C ATOM 0 H VAL A 34 1.018 10.755 4.740 1.00 0.00 H new ATOM 0 HA VAL A 34 1.943 9.656 2.160 1.00 0.00 H new ATOM 0 HB VAL A 34 1.694 8.530 4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.050 6.641 4.022 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.467 6.750 3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.930 7.340 2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.219 8.638 4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.078 9.371 3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.495 10.253 4.590 1.00 0.00 H new ATOM 480 N HIS A 35 -0.404 9.059 1.392 1.00 0.00 N ATOM 481 CA HIS A 35 -1.625 8.441 0.879 1.00 0.00 C ATOM 482 C HIS A 35 -1.527 8.049 -0.594 1.00 0.00 C ATOM 483 O HIS A 35 -2.513 8.122 -1.327 1.00 0.00 O ATOM 484 CB HIS A 35 -2.843 9.319 1.189 1.00 0.00 C ATOM 485 CG HIS A 35 -3.093 10.500 0.290 1.00 0.00 C ATOM 486 ND1 HIS A 35 -4.176 10.605 -0.548 1.00 0.00 N ATOM 487 CD2 HIS A 35 -2.374 11.660 0.196 1.00 0.00 C ATOM 488 CE1 HIS A 35 -4.119 11.812 -1.134 1.00 0.00 C ATOM 489 NE2 HIS A 35 -3.030 12.487 -0.724 1.00 0.00 N ATOM 0 H HIS A 35 0.095 9.623 0.704 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.760 7.496 1.405 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.729 8.685 1.167 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.741 9.688 2.209 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -4.893 9.895 -0.698 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.467 11.895 0.733 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.847 12.189 -1.837 1.00 0.00 H new ATOM 497 N TRP A 36 -0.349 7.632 -1.045 1.00 0.00 N ATOM 498 CA TRP A 36 -0.180 7.175 -2.421 1.00 0.00 C ATOM 499 C TRP A 36 0.640 5.902 -2.437 1.00 0.00 C ATOM 500 O TRP A 36 1.814 5.928 -2.103 1.00 0.00 O ATOM 501 CB TRP A 36 0.525 8.257 -3.221 1.00 0.00 C ATOM 502 CG TRP A 36 -0.312 9.477 -3.408 1.00 0.00 C ATOM 503 CD1 TRP A 36 -0.616 10.391 -2.462 1.00 0.00 C ATOM 504 CD2 TRP A 36 -1.123 9.811 -4.564 1.00 0.00 C ATOM 505 NE1 TRP A 36 -1.571 11.252 -2.947 1.00 0.00 N ATOM 506 CE2 TRP A 36 -1.904 10.961 -4.253 1.00 0.00 C ATOM 507 CE3 TRP A 36 -1.323 9.204 -5.819 1.00 0.00 C ATOM 508 CZ2 TRP A 36 -2.809 11.511 -5.170 1.00 0.00 C ATOM 509 CZ3 TRP A 36 -2.236 9.740 -6.743 1.00 0.00 C ATOM 510 CH2 TRP A 36 -2.948 10.915 -6.436 1.00 0.00 C ATOM 0 H TRP A 36 0.500 7.601 -0.481 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.155 6.973 -2.865 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.451 8.531 -2.715 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.801 7.859 -4.197 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.177 10.438 -1.477 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.983 12.013 -2.407 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.767 8.314 -6.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.392 12.381 -4.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.392 9.249 -7.692 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.601 11.359 -7.173 1.00 0.00 H new ATOM 521 N MET A 37 0.042 4.793 -2.836 1.00 0.00 N ATOM 522 CA MET A 37 0.772 3.553 -3.038 1.00 0.00 C ATOM 523 C MET A 37 1.326 3.584 -4.455 1.00 0.00 C ATOM 524 O MET A 37 0.604 3.959 -5.375 1.00 0.00 O ATOM 525 CB MET A 37 -0.120 2.352 -2.730 1.00 0.00 C ATOM 526 CG MET A 37 0.662 1.032 -2.709 1.00 0.00 C ATOM 527 SD MET A 37 -0.110 -0.280 -1.736 1.00 0.00 S ATOM 528 CE MET A 37 -1.718 -0.370 -2.542 1.00 0.00 C ATOM 0 H MET A 37 -0.957 4.726 -3.028 1.00 0.00 H new ATOM 0 HA MET A 37 1.612 3.451 -2.351 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.603 2.500 -1.764 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.912 2.290 -3.477 1.00 0.00 H new ATOM 0 HG2 MET A 37 0.787 0.682 -3.734 1.00 0.00 H new ATOM 0 HG3 MET A 37 1.660 1.222 -2.313 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.182 -1.332 -2.323 1.00 0.00 H new ATOM 0 HE2 MET A 37 -2.356 0.433 -2.172 1.00 0.00 H new ATOM 0 HE3 MET A 37 -1.591 -0.266 -3.620 1.00 0.00 H new ATOM 538 N VAL A 38 2.602 3.261 -4.646 1.00 0.00 N ATOM 539 CA VAL A 38 3.262 3.383 -5.935 1.00 0.00 C ATOM 540 C VAL A 38 3.954 2.050 -6.214 1.00 0.00 C ATOM 541 O VAL A 38 4.596 1.480 -5.330 1.00 0.00 O ATOM 542 CB VAL A 38 4.193 4.611 -5.951 1.00 0.00 C ATOM 543 CG1 VAL A 38 4.570 4.948 -7.395 1.00 0.00 C ATOM 544 CG2 VAL A 38 3.511 5.854 -5.357 1.00 0.00 C ATOM 0 H VAL A 38 3.207 2.906 -3.905 1.00 0.00 H new ATOM 0 HA VAL A 38 2.558 3.570 -6.746 1.00 0.00 H new ATOM 0 HB VAL A 38 5.069 4.357 -5.353 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.228 5.817 -7.406 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.083 4.098 -7.845 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.667 5.170 -7.964 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.201 6.697 -5.387 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.620 6.093 -5.938 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.227 5.654 -4.324 1.00 0.00 H new ATOM 554 N THR A 39 3.717 1.493 -7.400 1.00 0.00 N ATOM 555 CA THR A 39 3.928 0.084 -7.670 1.00 0.00 C ATOM 556 C THR A 39 4.431 -0.087 -9.091 1.00 0.00 C ATOM 557 O THR A 39 3.785 0.401 -10.020 1.00 0.00 O ATOM 558 CB THR A 39 2.601 -0.661 -7.433 1.00 0.00 C ATOM 559 OG1 THR A 39 2.586 -1.948 -8.022 1.00 0.00 O ATOM 560 CG2 THR A 39 1.333 0.061 -7.887 1.00 0.00 C ATOM 0 H THR A 39 3.370 2.017 -8.203 1.00 0.00 H new ATOM 0 HA THR A 39 4.682 -0.335 -7.004 1.00 0.00 H new ATOM 0 HB THR A 39 2.574 -0.720 -6.345 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.982 -1.947 -8.794 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.463 -0.559 -7.669 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.245 1.009 -7.357 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.385 0.249 -8.959 1.00 0.00 H new ATOM 568 N GLY A 40 5.537 -0.805 -9.278 1.00 0.00 N ATOM 569 CA GLY A 40 6.033 -1.166 -10.592 1.00 0.00 C ATOM 570 C GLY A 40 7.524 -0.957 -10.707 1.00 0.00 C ATOM 571 O GLY A 40 8.226 -0.888 -9.701 1.00 0.00 O ATOM 0 H GLY A 40 6.114 -1.152 -8.512 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.796 -2.210 -10.795 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.523 -0.570 -11.349 1.00 0.00 H new ATOM 575 N GLY A 41 7.970 -0.872 -11.958 1.00 0.00 N ATOM 576 CA GLY A 41 9.342 -0.684 -12.368 1.00 0.00 C ATOM 577 C GLY A 41 9.571 -1.686 -13.486 1.00 0.00 C ATOM 578 O GLY A 41 9.706 -1.299 -14.648 1.00 0.00 O ATOM 0 H GLY A 41 7.337 -0.938 -12.755 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.512 0.336 -12.714 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.027 -0.858 -11.538 1.00 0.00 H new ATOM 582 N SER A 42 9.528 -2.970 -13.132 1.00 0.00 N ATOM 583 CA SER A 42 9.650 -4.080 -14.055 1.00 0.00 C ATOM 584 C SER A 42 8.423 -4.124 -14.953 1.00 0.00 C ATOM 585 O SER A 42 7.324 -3.813 -14.505 1.00 0.00 O ATOM 586 CB SER A 42 9.714 -5.376 -13.245 1.00 0.00 C ATOM 587 OG SER A 42 8.871 -5.283 -12.112 1.00 0.00 O ATOM 0 H SER A 42 9.403 -3.267 -12.164 1.00 0.00 H new ATOM 0 HA SER A 42 10.547 -3.964 -14.664 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.409 -6.218 -13.867 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.740 -5.567 -12.930 1.00 0.00 H new ATOM 0 HG SER A 42 8.917 -6.118 -11.601 1.00 0.00 H new ATOM 593 N THR A 43 8.585 -4.608 -16.178 1.00 0.00 N ATOM 594 CA THR A 43 7.500 -4.753 -17.129 1.00 0.00 C ATOM 595 C THR A 43 6.690 -5.954 -16.635 1.00 0.00 C ATOM 596 O THR A 43 5.461 -5.920 -16.611 1.00 0.00 O ATOM 597 CB THR A 43 8.106 -4.922 -18.546 1.00 0.00 C ATOM 598 OG1 THR A 43 7.781 -3.797 -19.344 1.00 0.00 O ATOM 599 CG2 THR A 43 7.599 -6.144 -19.319 1.00 0.00 C ATOM 0 H THR A 43 9.488 -4.914 -16.540 1.00 0.00 H new ATOM 0 HA THR A 43 6.837 -3.890 -17.199 1.00 0.00 H new ATOM 0 HB THR A 43 9.176 -5.041 -18.373 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.167 -3.907 -20.238 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.078 -6.180 -20.298 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.839 -7.051 -18.764 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.519 -6.072 -19.446 1.00 0.00 H new ATOM 607 N ASP A 44 7.374 -7.020 -16.218 1.00 0.00 N ATOM 608 CA ASP A 44 6.750 -8.174 -15.592 1.00 0.00 C ATOM 609 C ASP A 44 6.927 -8.056 -14.082 1.00 0.00 C ATOM 610 O ASP A 44 8.007 -8.370 -13.582 1.00 0.00 O ATOM 611 CB ASP A 44 7.373 -9.460 -16.145 1.00 0.00 C ATOM 612 CG ASP A 44 6.545 -10.656 -15.741 1.00 0.00 C ATOM 613 OD1 ASP A 44 5.966 -10.645 -14.639 1.00 0.00 O ATOM 614 OD2 ASP A 44 6.392 -11.557 -16.588 1.00 0.00 O ATOM 0 H ASP A 44 8.387 -7.102 -16.309 1.00 0.00 H new ATOM 0 HA ASP A 44 5.684 -8.210 -15.815 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.437 -9.403 -17.232 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.391 -9.570 -15.771 1.00 0.00 H new ATOM 619 N GLY A 45 5.920 -7.532 -13.383 1.00 0.00 N ATOM 620 CA GLY A 45 5.949 -7.318 -11.944 1.00 0.00 C ATOM 621 C GLY A 45 4.888 -8.110 -11.179 1.00 0.00 C ATOM 622 O GLY A 45 5.084 -8.407 -10.001 1.00 0.00 O ATOM 0 H GLY A 45 5.044 -7.239 -13.815 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.934 -7.590 -11.566 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.812 -6.256 -11.742 1.00 0.00 H new ATOM 626 N LYS A 46 3.772 -8.427 -11.846 1.00 0.00 N ATOM 627 CA LYS A 46 2.488 -8.812 -11.287 1.00 0.00 C ATOM 628 C LYS A 46 1.904 -7.680 -10.438 1.00 0.00 C ATOM 629 O LYS A 46 2.624 -7.045 -9.667 1.00 0.00 O ATOM 630 CB LYS A 46 2.580 -10.095 -10.472 1.00 0.00 C ATOM 631 CG LYS A 46 3.280 -11.253 -11.190 1.00 0.00 C ATOM 632 CD LYS A 46 3.072 -12.491 -10.306 1.00 0.00 C ATOM 633 CE LYS A 46 3.742 -13.772 -10.811 1.00 0.00 C ATOM 634 NZ LYS A 46 5.209 -13.664 -10.910 1.00 0.00 N ATOM 0 H LYS A 46 3.750 -8.418 -12.866 1.00 0.00 H new ATOM 0 HA LYS A 46 1.819 -9.005 -12.125 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.112 -9.884 -9.544 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.573 -10.409 -10.198 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.858 -11.408 -12.183 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.341 -11.044 -11.324 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.449 -12.272 -9.307 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.002 -12.673 -10.210 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.490 -14.594 -10.141 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.336 -14.024 -11.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.601 -14.563 -11.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.457 -12.900 -11.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.606 -13.453 -9.972 1.00 0.00 H new ATOM 648 N GLN A 47 0.600 -7.411 -10.569 1.00 0.00 N ATOM 649 CA GLN A 47 -0.024 -6.396 -9.743 1.00 0.00 C ATOM 650 C GLN A 47 0.276 -6.631 -8.271 1.00 0.00 C ATOM 651 O GLN A 47 0.298 -7.777 -7.817 1.00 0.00 O ATOM 652 CB GLN A 47 -1.536 -6.340 -9.987 1.00 0.00 C ATOM 653 CG GLN A 47 -2.339 -7.619 -9.712 1.00 0.00 C ATOM 654 CD GLN A 47 -3.791 -7.272 -9.396 1.00 0.00 C ATOM 655 OE1 GLN A 47 -4.395 -7.849 -8.499 1.00 0.00 O ATOM 656 NE2 GLN A 47 -4.355 -6.282 -10.083 1.00 0.00 N ATOM 0 H GLN A 47 -0.025 -7.876 -11.227 1.00 0.00 H new ATOM 0 HA GLN A 47 0.399 -5.432 -10.025 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.949 -5.543 -9.369 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.700 -6.055 -11.026 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.295 -8.278 -10.579 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.897 -8.162 -8.877 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.834 -5.815 -10.826 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.308 -5.990 -9.867 1.00 0.00 H new ATOM 665 N GLY A 48 0.460 -5.545 -7.528 1.00 0.00 N ATOM 666 CA GLY A 48 0.707 -5.666 -6.116 1.00 0.00 C ATOM 667 C GLY A 48 -0.619 -5.539 -5.412 1.00 0.00 C ATOM 668 O GLY A 48 -1.383 -4.618 -5.713 1.00 0.00 O ATOM 0 H GLY A 48 0.441 -4.589 -7.883 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.171 -6.626 -5.889 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.396 -4.891 -5.779 1.00 0.00 H new ATOM 672 N CYS A 49 -0.905 -6.427 -4.468 1.00 0.00 N ATOM 673 CA CYS A 49 -2.066 -6.316 -3.628 1.00 0.00 C ATOM 674 C CYS A 49 -1.630 -6.205 -2.198 1.00 0.00 C ATOM 675 O CYS A 49 -0.617 -6.765 -1.791 1.00 0.00 O ATOM 676 CB CYS A 49 -2.982 -7.523 -3.749 1.00 0.00 C ATOM 677 SG CYS A 49 -3.676 -7.963 -5.357 1.00 0.00 S ATOM 0 H CYS A 49 -0.328 -7.245 -4.271 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.616 -5.432 -3.950 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.429 -8.389 -3.385 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.817 -7.368 -3.066 1.00 0.00 H new ATOM 682 N ALA A 50 -2.413 -5.464 -1.439 1.00 0.00 N ATOM 683 CA ALA A 50 -2.095 -5.104 -0.079 1.00 0.00 C ATOM 684 C ALA A 50 -3.369 -5.035 0.716 1.00 0.00 C ATOM 685 O ALA A 50 -4.379 -4.544 0.222 1.00 0.00 O ATOM 686 CB ALA A 50 -1.384 -3.749 -0.029 1.00 0.00 C ATOM 0 H ALA A 50 -3.306 -5.090 -1.761 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.428 -5.857 0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.153 -3.497 1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.460 -3.802 -0.604 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.032 -2.982 -0.453 1.00 0.00 H new ATOM 692 N THR A 51 -3.307 -5.509 1.949 1.00 0.00 N ATOM 693 CA THR A 51 -4.341 -5.254 2.916 1.00 0.00 C ATOM 694 C THR A 51 -3.906 -3.980 3.631 1.00 0.00 C ATOM 695 O THR A 51 -2.866 -3.952 4.290 1.00 0.00 O ATOM 696 CB THR A 51 -4.470 -6.473 3.832 1.00 0.00 C ATOM 697 OG1 THR A 51 -4.576 -7.634 3.026 1.00 0.00 O ATOM 698 CG2 THR A 51 -5.707 -6.381 4.725 1.00 0.00 C ATOM 0 H THR A 51 -2.537 -6.079 2.299 1.00 0.00 H new ATOM 0 HA THR A 51 -5.333 -5.105 2.490 1.00 0.00 H new ATOM 0 HB THR A 51 -3.590 -6.514 4.474 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.658 -8.424 3.600 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.764 -7.265 5.360 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.640 -5.489 5.348 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.601 -6.323 4.104 1.00 0.00 H new ATOM 706 N ILE A 52 -4.667 -2.914 3.428 1.00 0.00 N ATOM 707 CA ILE A 52 -4.499 -1.638 4.091 1.00 0.00 C ATOM 708 C ILE A 52 -5.468 -1.662 5.279 1.00 0.00 C ATOM 709 O ILE A 52 -6.548 -2.245 5.145 1.00 0.00 O ATOM 710 CB ILE A 52 -4.818 -0.525 3.074 1.00 0.00 C ATOM 711 CG1 ILE A 52 -3.899 -0.603 1.839 1.00 0.00 C ATOM 712 CG2 ILE A 52 -4.717 0.850 3.733 1.00 0.00 C ATOM 713 CD1 ILE A 52 -4.203 0.477 0.797 1.00 0.00 C ATOM 0 H ILE A 52 -5.447 -2.919 2.771 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.488 -1.453 4.454 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.842 -0.675 2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.861 -0.509 2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.003 -1.585 1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.946 1.623 2.999 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.427 0.911 4.558 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.706 0.998 4.113 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.523 0.369 -0.048 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.231 0.370 0.451 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.072 1.462 1.245 1.00 0.00 H new ATOM 725 N TRP A 53 -5.101 -1.076 6.424 1.00 0.00 N ATOM 726 CA TRP A 53 -5.880 -1.080 7.659 1.00 0.00 C ATOM 727 C TRP A 53 -6.150 0.328 8.204 1.00 0.00 C ATOM 728 O TRP A 53 -5.347 1.255 8.032 1.00 0.00 O ATOM 729 CB TRP A 53 -5.174 -1.880 8.762 1.00 0.00 C ATOM 730 CG TRP A 53 -5.232 -3.375 8.682 1.00 0.00 C ATOM 731 CD1 TRP A 53 -6.180 -4.171 9.230 1.00 0.00 C ATOM 732 CD2 TRP A 53 -4.268 -4.277 8.076 1.00 0.00 C ATOM 733 NE1 TRP A 53 -5.910 -5.491 8.927 1.00 0.00 N ATOM 734 CE2 TRP A 53 -4.722 -5.618 8.242 1.00 0.00 C ATOM 735 CE3 TRP A 53 -3.040 -4.091 7.415 1.00 0.00 C ATOM 736 CZ2 TRP A 53 -4.006 -6.717 7.749 1.00 0.00 C ATOM 737 CZ3 TRP A 53 -2.288 -5.188 6.968 1.00 0.00 C ATOM 738 CH2 TRP A 53 -2.773 -6.498 7.116 1.00 0.00 C ATOM 0 H TRP A 53 -4.221 -0.569 6.515 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.830 -1.544 7.394 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.125 -1.585 8.771 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.599 -1.578 9.720 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -7.020 -3.826 9.815 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.514 -6.273 9.179 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.671 -3.090 7.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.397 -7.718 7.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -1.326 -5.023 6.505 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.199 -7.334 6.744 1.00 0.00 H new ATOM 749 N GLU A 54 -7.265 0.428 8.930 1.00 0.00 N ATOM 750 CA GLU A 54 -7.724 1.569 9.697 1.00 0.00 C ATOM 751 C GLU A 54 -7.014 1.605 11.041 1.00 0.00 C ATOM 752 O GLU A 54 -6.701 2.674 11.558 1.00 0.00 O ATOM 753 CB GLU A 54 -9.236 1.384 9.885 1.00 0.00 C ATOM 754 CG GLU A 54 -9.900 2.243 10.974 1.00 0.00 C ATOM 755 CD GLU A 54 -9.977 1.522 12.310 1.00 0.00 C ATOM 756 OE1 GLU A 54 -10.371 0.335 12.312 1.00 0.00 O ATOM 757 OE2 GLU A 54 -9.730 2.160 13.353 1.00 0.00 O ATOM 0 H GLU A 54 -7.917 -0.354 8.997 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.510 2.509 9.189 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.727 1.597 8.935 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.426 0.335 10.114 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.339 3.169 11.095 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.905 2.519 10.654 1.00 0.00 H new ATOM 764 N GLY A 55 -6.803 0.446 11.647 1.00 0.00 N ATOM 765 CA GLY A 55 -6.190 0.389 12.956 1.00 0.00 C ATOM 766 C GLY A 55 -4.704 0.717 12.887 1.00 0.00 C ATOM 767 O GLY A 55 -3.981 0.236 12.009 1.00 0.00 O ATOM 0 H GLY A 55 -7.048 -0.462 11.251 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.689 1.091 13.624 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.326 -0.606 13.380 1.00 0.00 H new ATOM 771 N SER A 56 -4.250 1.527 13.838 1.00 0.00 N ATOM 772 CA SER A 56 -2.859 1.781 14.123 1.00 0.00 C ATOM 773 C SER A 56 -2.239 0.445 14.499 1.00 0.00 C ATOM 774 O SER A 56 -2.689 -0.215 15.432 1.00 0.00 O ATOM 775 CB SER A 56 -2.735 2.829 15.236 1.00 0.00 C ATOM 776 OG SER A 56 -3.716 3.836 15.056 1.00 0.00 O ATOM 0 H SER A 56 -4.878 2.043 14.454 1.00 0.00 H new ATOM 0 HA SER A 56 -2.331 2.193 13.263 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.860 2.356 16.210 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.739 3.272 15.223 1.00 0.00 H new ATOM 0 HG SER A 56 -3.635 4.503 15.770 1.00 0.00 H new ATOM 782 N GLY A 57 -1.248 0.033 13.733 1.00 0.00 N ATOM 783 CA GLY A 57 -0.564 -1.226 13.900 1.00 0.00 C ATOM 784 C GLY A 57 -1.346 -2.378 13.275 1.00 0.00 C ATOM 785 O GLY A 57 -1.447 -3.454 13.857 1.00 0.00 O ATOM 0 H GLY A 57 -0.889 0.585 12.954 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.424 -1.167 13.444 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.414 -1.421 14.962 1.00 0.00 H new ATOM 789 N CYS A 58 -1.831 -2.174 12.046 1.00 0.00 N ATOM 790 CA CYS A 58 -2.424 -3.187 11.169 1.00 0.00 C ATOM 791 C CYS A 58 -3.407 -4.111 11.893 1.00 0.00 C ATOM 792 O CYS A 58 -3.341 -5.336 11.776 1.00 0.00 O ATOM 793 CB CYS A 58 -1.375 -3.956 10.344 1.00 0.00 C ATOM 794 SG CYS A 58 -0.127 -4.882 11.256 1.00 0.00 S ATOM 0 H CYS A 58 -1.820 -1.250 11.614 1.00 0.00 H new ATOM 0 HA CYS A 58 -3.022 -2.632 10.446 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.902 -4.652 9.692 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.862 -3.242 9.700 1.00 0.00 H new ATOM 799 N VAL A 59 -4.352 -3.483 12.591 1.00 0.00 N ATOM 800 CA VAL A 59 -5.520 -4.043 13.236 1.00 0.00 C ATOM 801 C VAL A 59 -6.723 -3.265 12.704 1.00 0.00 C ATOM 802 O VAL A 59 -6.561 -2.358 11.889 1.00 0.00 O ATOM 803 CB VAL A 59 -5.378 -3.947 14.764 1.00 0.00 C ATOM 804 CG1 VAL A 59 -4.346 -4.946 15.286 1.00 0.00 C ATOM 805 CG2 VAL A 59 -4.996 -2.553 15.270 1.00 0.00 C ATOM 0 H VAL A 59 -4.307 -2.473 12.727 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.644 -5.103 13.015 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.371 -4.179 15.148 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.267 -4.855 16.369 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.657 -5.958 15.029 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.377 -4.738 14.833 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.916 -2.570 16.357 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.038 -2.260 14.840 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.762 -1.836 14.974 1.00 0.00 H new ATOM 815 N GLY A 60 -7.934 -3.634 13.100 1.00 0.00 N ATOM 816 CA GLY A 60 -9.094 -2.801 12.819 1.00 0.00 C ATOM 817 C GLY A 60 -9.615 -3.067 11.418 1.00 0.00 C ATOM 818 O GLY A 60 -9.397 -4.152 10.874 1.00 0.00 O ATOM 0 H GLY A 60 -8.137 -4.494 13.610 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.878 -3.002 13.549 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.826 -1.749 12.920 1.00 0.00 H new ATOM 822 N ARG A 61 -10.332 -2.109 10.834 1.00 0.00 N ATOM 823 CA ARG A 61 -10.945 -2.318 9.530 1.00 0.00 C ATOM 824 C ARG A 61 -9.858 -2.425 8.489 1.00 0.00 C ATOM 825 O ARG A 61 -8.765 -1.914 8.708 1.00 0.00 O ATOM 826 CB ARG A 61 -12.019 -1.260 9.223 1.00 0.00 C ATOM 827 CG ARG A 61 -12.704 -1.572 7.885 1.00 0.00 C ATOM 828 CD ARG A 61 -13.996 -0.793 7.638 1.00 0.00 C ATOM 829 NE ARG A 61 -14.528 -1.159 6.312 1.00 0.00 N ATOM 830 CZ ARG A 61 -15.616 -1.900 6.043 1.00 0.00 C ATOM 831 NH1 ARG A 61 -16.560 -2.125 6.958 1.00 0.00 N ATOM 832 NH2 ARG A 61 -15.730 -2.431 4.832 1.00 0.00 N ATOM 0 H ARG A 61 -10.500 -1.189 11.241 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.494 -3.260 9.522 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.759 -1.240 10.023 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.564 -0.270 9.185 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.006 -1.359 7.075 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.924 -2.639 7.844 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.727 -1.020 8.414 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.805 0.279 7.685 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.010 -0.809 5.506 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.468 -1.730 7.894 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -17.374 -2.692 6.722 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.003 -2.272 4.135 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.545 -2.998 4.599 1.00 0.00 H new ATOM 846 N SER A 62 -10.131 -3.120 7.385 1.00 0.00 N ATOM 847 CA SER A 62 -9.191 -3.179 6.294 1.00 0.00 C ATOM 848 C SER A 62 -9.866 -3.135 4.930 1.00 0.00 C ATOM 849 O SER A 62 -11.083 -3.290 4.828 1.00 0.00 O ATOM 850 CB SER A 62 -8.251 -4.378 6.448 1.00 0.00 C ATOM 851 OG SER A 62 -8.891 -5.471 7.087 1.00 0.00 O ATOM 0 H SER A 62 -10.993 -3.643 7.234 1.00 0.00 H new ATOM 0 HA SER A 62 -8.582 -2.277 6.343 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.895 -4.689 5.466 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.375 -4.081 7.025 1.00 0.00 H new ATOM 0 HG SER A 62 -8.261 -6.218 7.167 1.00 0.00 H new ATOM 857 N THR A 63 -9.069 -2.892 3.892 1.00 0.00 N ATOM 858 CA THR A 63 -9.458 -3.006 2.494 1.00 0.00 C ATOM 859 C THR A 63 -8.296 -3.693 1.771 1.00 0.00 C ATOM 860 O THR A 63 -7.138 -3.401 2.076 1.00 0.00 O ATOM 861 CB THR A 63 -9.805 -1.617 1.922 1.00 0.00 C ATOM 862 OG1 THR A 63 -10.369 -1.723 0.628 1.00 0.00 O ATOM 863 CG2 THR A 63 -8.606 -0.672 1.850 1.00 0.00 C ATOM 0 H THR A 63 -8.099 -2.600 4.009 1.00 0.00 H new ATOM 0 HA THR A 63 -10.360 -3.604 2.362 1.00 0.00 H new ATOM 0 HB THR A 63 -10.528 -1.194 2.620 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.581 -0.828 0.289 1.00 0.00 H new ATOM 0 HG21 THR A 63 -8.922 0.286 1.438 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.201 -0.521 2.851 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.838 -1.106 1.210 1.00 0.00 H new ATOM 871 N THR A 64 -8.583 -4.617 0.858 1.00 0.00 N ATOM 872 CA THR A 64 -7.593 -5.257 0.016 1.00 0.00 C ATOM 873 C THR A 64 -7.434 -4.387 -1.232 1.00 0.00 C ATOM 874 O THR A 64 -8.220 -4.493 -2.175 1.00 0.00 O ATOM 875 CB THR A 64 -8.008 -6.696 -0.322 1.00 0.00 C ATOM 876 OG1 THR A 64 -8.485 -7.368 0.836 1.00 0.00 O ATOM 877 CG2 THR A 64 -6.795 -7.448 -0.883 1.00 0.00 C ATOM 0 H THR A 64 -9.533 -4.944 0.684 1.00 0.00 H new ATOM 0 HA THR A 64 -6.635 -5.340 0.529 1.00 0.00 H new ATOM 0 HB THR A 64 -8.809 -6.667 -1.061 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.746 -8.283 0.599 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.082 -8.471 -1.126 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.441 -6.947 -1.784 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.999 -7.461 -0.139 1.00 0.00 H new ATOM 885 N MET A 65 -6.448 -3.496 -1.222 1.00 0.00 N ATOM 886 CA MET A 65 -6.125 -2.670 -2.372 1.00 0.00 C ATOM 887 C MET A 65 -5.164 -3.437 -3.281 1.00 0.00 C ATOM 888 O MET A 65 -3.970 -3.540 -2.983 1.00 0.00 O ATOM 889 CB MET A 65 -5.540 -1.332 -1.905 1.00 0.00 C ATOM 890 CG MET A 65 -5.079 -0.452 -3.079 1.00 0.00 C ATOM 891 SD MET A 65 -6.264 -0.154 -4.415 1.00 0.00 S ATOM 892 CE MET A 65 -7.528 0.784 -3.535 1.00 0.00 C ATOM 0 H MET A 65 -5.851 -3.329 -0.412 1.00 0.00 H new ATOM 0 HA MET A 65 -7.024 -2.444 -2.945 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.289 -0.794 -1.324 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.696 -1.519 -1.242 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.776 0.514 -2.676 1.00 0.00 H new ATOM 0 HG3 MET A 65 -4.190 -0.909 -3.513 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.332 1.045 -4.223 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.929 0.180 -2.721 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.088 1.695 -3.129 1.00 0.00 H new ATOM 902 N CYS A 66 -5.673 -3.949 -4.398 1.00 0.00 N ATOM 903 CA CYS A 66 -4.860 -4.452 -5.502 1.00 0.00 C ATOM 904 C CYS A 66 -4.662 -3.327 -6.499 1.00 0.00 C ATOM 905 O CYS A 66 -5.599 -2.574 -6.765 1.00 0.00 O ATOM 906 CB CYS A 66 -5.506 -5.626 -6.223 1.00 0.00 C ATOM 907 SG CYS A 66 -5.622 -7.193 -5.340 1.00 0.00 S ATOM 0 H CYS A 66 -6.676 -4.027 -4.564 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.916 -4.802 -5.085 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.514 -5.328 -6.511 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.950 -5.801 -7.144 1.00 0.00 H new ATOM 912 N CYS A 67 -3.451 -3.191 -7.026 1.00 0.00 N ATOM 913 CA CYS A 67 -3.038 -2.112 -7.909 1.00 0.00 C ATOM 914 C CYS A 67 -1.889 -2.588 -8.810 1.00 0.00 C ATOM 915 O CYS A 67 -0.975 -3.237 -8.302 1.00 0.00 O ATOM 916 CB CYS A 67 -2.569 -0.972 -7.019 1.00 0.00 C ATOM 917 SG CYS A 67 -2.200 0.547 -7.912 1.00 0.00 S ATOM 0 H CYS A 67 -2.701 -3.857 -6.841 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.858 -1.791 -8.552 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.337 -0.766 -6.274 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -1.678 -1.290 -6.478 1.00 0.00 H new ATOM 922 N PRO A 68 -1.930 -2.360 -10.134 1.00 0.00 N ATOM 923 CA PRO A 68 -1.014 -3.006 -11.067 1.00 0.00 C ATOM 924 C PRO A 68 0.461 -2.669 -10.881 1.00 0.00 C ATOM 925 O PRO A 68 0.819 -1.678 -10.251 1.00 0.00 O ATOM 926 CB PRO A 68 -1.492 -2.648 -12.468 1.00 0.00 C ATOM 927 CG PRO A 68 -2.468 -1.492 -12.280 1.00 0.00 C ATOM 928 CD PRO A 68 -2.993 -1.681 -10.857 1.00 0.00 C ATOM 0 HA PRO A 68 -1.045 -4.079 -10.878 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.657 -2.357 -13.106 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.978 -3.498 -12.947 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.973 -0.528 -12.398 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.275 -1.528 -13.012 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.230 -0.722 -10.396 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.909 -2.272 -10.853 1.00 0.00 H new ATOM 936 N ALA A 69 1.328 -3.488 -11.480 1.00 0.00 N ATOM 937 CA ALA A 69 2.731 -3.155 -11.602 1.00 0.00 C ATOM 938 C ALA A 69 2.838 -2.118 -12.711 1.00 0.00 C ATOM 939 O ALA A 69 2.417 -2.358 -13.844 1.00 0.00 O ATOM 940 CB ALA A 69 3.581 -4.385 -11.927 1.00 0.00 C ATOM 0 H ALA A 69 1.072 -4.388 -11.887 1.00 0.00 H new ATOM 0 HA ALA A 69 3.110 -2.766 -10.657 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.628 -4.092 -12.010 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.473 -5.123 -11.132 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.249 -4.818 -12.871 1.00 0.00 H new ATOM 946 N ASN A 70 3.407 -0.973 -12.368 1.00 0.00 N ATOM 947 CA ASN A 70 3.599 0.211 -13.187 1.00 0.00 C ATOM 948 C ASN A 70 2.313 1.002 -13.146 1.00 0.00 C ATOM 949 O ASN A 70 1.629 1.167 -14.156 1.00 0.00 O ATOM 950 CB ASN A 70 4.082 -0.058 -14.616 1.00 0.00 C ATOM 951 CG ASN A 70 5.290 -0.975 -14.644 1.00 0.00 C ATOM 952 OD1 ASN A 70 6.416 -0.552 -14.381 1.00 0.00 O ATOM 953 ND2 ASN A 70 5.059 -2.253 -14.899 1.00 0.00 N ATOM 0 H ASN A 70 3.778 -0.838 -11.427 1.00 0.00 H new ATOM 0 HA ASN A 70 4.423 0.787 -12.766 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.273 -0.506 -15.194 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.333 0.887 -15.098 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.827 -2.924 -14.881 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.113 -2.567 -15.113 1.00 0.00 H new ATOM 960 N THR A 71 1.962 1.452 -11.948 1.00 0.00 N ATOM 961 CA THR A 71 1.060 2.553 -11.757 1.00 0.00 C ATOM 962 C THR A 71 1.314 3.198 -10.401 1.00 0.00 C ATOM 963 O THR A 71 2.229 2.831 -9.655 1.00 0.00 O ATOM 964 CB THR A 71 -0.392 2.122 -11.997 1.00 0.00 C ATOM 965 OG1 THR A 71 -1.130 3.231 -12.466 1.00 0.00 O ATOM 966 CG2 THR A 71 -1.103 1.532 -10.781 1.00 0.00 C ATOM 0 H THR A 71 2.307 1.049 -11.077 1.00 0.00 H new ATOM 0 HA THR A 71 1.248 3.326 -12.502 1.00 0.00 H new ATOM 0 HB THR A 71 -0.343 1.318 -12.731 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.059 2.963 -12.623 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.123 1.259 -11.053 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.568 0.645 -10.441 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.127 2.270 -9.980 1.00 0.00 H new ATOM 974 N CYS A 72 0.473 4.182 -10.129 1.00 0.00 N ATOM 975 CA CYS A 72 0.414 5.025 -8.963 1.00 0.00 C ATOM 976 C CYS A 72 -1.045 5.049 -8.522 1.00 0.00 C ATOM 977 O CYS A 72 -1.921 5.341 -9.336 1.00 0.00 O ATOM 978 CB CYS A 72 0.866 6.398 -9.421 1.00 0.00 C ATOM 979 SG CYS A 72 0.236 7.751 -8.442 1.00 0.00 S ATOM 0 H CYS A 72 -0.259 4.429 -10.795 1.00 0.00 H new ATOM 0 HA CYS A 72 1.036 4.687 -8.135 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.955 6.432 -9.405 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.557 6.541 -10.457 1.00 0.00 H new ATOM 984 N CYS A 73 -1.315 4.656 -7.281 1.00 0.00 N ATOM 985 CA CYS A 73 -2.630 4.431 -6.711 1.00 0.00 C ATOM 986 C CYS A 73 -2.831 5.479 -5.623 1.00 0.00 C ATOM 987 O CYS A 73 -2.153 5.449 -4.596 1.00 0.00 O ATOM 988 CB CYS A 73 -2.753 3.018 -6.092 1.00 0.00 C ATOM 989 SG CYS A 73 -1.461 1.787 -6.404 1.00 0.00 S ATOM 0 H CYS A 73 -0.570 4.476 -6.607 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.385 4.507 -7.494 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.832 3.141 -5.012 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.697 2.594 -6.434 1.00 0.00 H new ATOM 994 N ASN A 74 -3.766 6.400 -5.826 1.00 0.00 N ATOM 995 CA ASN A 74 -4.236 7.286 -4.775 1.00 0.00 C ATOM 996 C ASN A 74 -4.965 6.452 -3.732 1.00 0.00 C ATOM 997 O ASN A 74 -6.013 5.880 -4.030 1.00 0.00 O ATOM 998 CB ASN A 74 -5.229 8.306 -5.350 1.00 0.00 C ATOM 999 CG ASN A 74 -5.955 9.054 -4.238 1.00 0.00 C ATOM 1000 OD1 ASN A 74 -7.179 9.082 -4.186 1.00 0.00 O ATOM 1001 ND2 ASN A 74 -5.220 9.653 -3.311 1.00 0.00 N ATOM 0 H ASN A 74 -4.219 6.551 -6.727 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.386 7.809 -4.338 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.699 9.017 -5.984 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.955 7.795 -5.982 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.673 10.146 -2.541 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.202 9.621 -3.368 1.00 0.00 H new ATOM 1008 N ILE A 75 -4.440 6.384 -2.516 1.00 0.00 N ATOM 1009 CA ILE A 75 -5.185 5.900 -1.380 1.00 0.00 C ATOM 1010 C ILE A 75 -6.122 7.032 -0.955 1.00 0.00 C ATOM 1011 O ILE A 75 -5.683 8.141 -0.638 1.00 0.00 O ATOM 1012 CB ILE A 75 -4.182 5.444 -0.307 1.00 0.00 C ATOM 1013 CG1 ILE A 75 -3.777 3.989 -0.535 1.00 0.00 C ATOM 1014 CG2 ILE A 75 -4.706 5.549 1.116 1.00 0.00 C ATOM 1015 CD1 ILE A 75 -3.157 3.757 -1.904 1.00 0.00 C ATOM 0 H ILE A 75 -3.484 6.665 -2.298 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.806 5.029 -1.590 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.336 6.123 -0.410 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.067 3.689 0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.654 3.351 -0.426 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.939 5.209 1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.960 6.586 1.335 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.595 4.927 1.223 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.889 2.706 -2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.874 4.028 -2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.262 4.371 -2.007 1.00 0.00 H new ATOM 1027 N ASN A 76 -7.421 6.755 -0.973 1.00 0.00 N ATOM 1028 CA ASN A 76 -8.454 7.614 -0.418 1.00 0.00 C ATOM 1029 C ASN A 76 -9.567 6.673 0.016 1.00 0.00 C ATOM 1030 O ASN A 76 -10.611 6.562 -0.629 1.00 0.00 O ATOM 1031 CB ASN A 76 -8.931 8.638 -1.451 1.00 0.00 C ATOM 1032 CG ASN A 76 -10.062 9.496 -0.893 1.00 0.00 C ATOM 1033 OD1 ASN A 76 -10.207 9.647 0.314 1.00 0.00 O ATOM 1034 ND2 ASN A 76 -10.865 10.096 -1.765 1.00 0.00 N ATOM 0 H ASN A 76 -7.793 5.900 -1.387 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.091 8.204 0.423 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -8.098 9.276 -1.746 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.271 8.122 -2.349 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.620 10.696 -1.434 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -10.726 9.956 -2.766 1.00 0.00 H new ATOM 1041 N THR A 77 -9.258 5.871 1.027 1.00 0.00 N ATOM 1042 CA THR A 77 -10.058 4.739 1.430 1.00 0.00 C ATOM 1043 C THR A 77 -11.271 5.199 2.240 1.00 0.00 C ATOM 1044 O THR A 77 -11.291 6.307 2.770 1.00 0.00 O ATOM 1045 CB THR A 77 -9.141 3.787 2.208 1.00 0.00 C ATOM 1046 OG1 THR A 77 -8.265 4.541 3.016 1.00 0.00 O ATOM 1047 CG2 THR A 77 -8.248 3.007 1.241 1.00 0.00 C ATOM 0 H THR A 77 -8.423 5.999 1.598 1.00 0.00 H new ATOM 0 HA THR A 77 -10.466 4.211 0.568 1.00 0.00 H new ATOM 0 HB THR A 77 -9.770 3.118 2.795 1.00 0.00 H new ATOM 0 HG1 THR A 77 -8.752 4.886 3.793 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.601 2.335 1.805 1.00 0.00 H new ATOM 0 HG22 THR A 77 -8.870 2.426 0.560 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.636 3.704 0.669 1.00 0.00 H new ATOM 1055 N GLY A 78 -12.280 4.333 2.352 1.00 0.00 N ATOM 1056 CA GLY A 78 -13.469 4.608 3.149 1.00 0.00 C ATOM 1057 C GLY A 78 -13.143 5.021 4.590 1.00 0.00 C ATOM 1058 O GLY A 78 -13.912 5.750 5.210 1.00 0.00 O ATOM 0 H GLY A 78 -12.292 3.423 1.892 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.044 5.401 2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.102 3.721 3.166 1.00 0.00 H new ATOM 1062 N PHE A 79 -12.033 4.527 5.143 1.00 0.00 N ATOM 1063 CA PHE A 79 -11.512 4.922 6.441 1.00 0.00 C ATOM 1064 C PHE A 79 -10.226 5.691 6.267 1.00 0.00 C ATOM 1065 O PHE A 79 -9.546 5.561 5.251 1.00 0.00 O ATOM 1066 CB PHE A 79 -11.241 3.684 7.297 1.00 0.00 C ATOM 1067 CG PHE A 79 -10.524 2.562 6.561 1.00 0.00 C ATOM 1068 CD1 PHE A 79 -9.122 2.593 6.426 1.00 0.00 C ATOM 1069 CD2 PHE A 79 -11.252 1.505 5.986 1.00 0.00 C ATOM 1070 CE1 PHE A 79 -8.445 1.524 5.823 1.00 0.00 C ATOM 1071 CE2 PHE A 79 -10.573 0.434 5.379 1.00 0.00 C ATOM 1072 CZ PHE A 79 -9.168 0.426 5.334 1.00 0.00 C ATOM 0 H PHE A 79 -11.460 3.821 4.681 1.00 0.00 H new ATOM 0 HA PHE A 79 -12.252 5.552 6.935 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -10.644 3.977 8.161 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -12.189 3.305 7.679 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.566 3.445 6.789 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -12.332 1.516 6.011 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -7.369 1.546 5.735 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -11.131 -0.383 4.947 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.645 -0.425 4.923 1.00 0.00 H new ATOM 1082 N TYR A 80 -9.875 6.452 7.302 1.00 0.00 N ATOM 1083 CA TYR A 80 -8.579 7.084 7.322 1.00 0.00 C ATOM 1084 C TYR A 80 -7.512 6.020 7.577 1.00 0.00 C ATOM 1085 O TYR A 80 -7.719 5.107 8.374 1.00 0.00 O ATOM 1086 CB TYR A 80 -8.502 8.229 8.329 1.00 0.00 C ATOM 1087 CG TYR A 80 -7.140 8.900 8.298 1.00 0.00 C ATOM 1088 CD1 TYR A 80 -6.668 9.464 7.096 1.00 0.00 C ATOM 1089 CD2 TYR A 80 -6.239 8.680 9.355 1.00 0.00 C ATOM 1090 CE1 TYR A 80 -5.296 9.719 6.926 1.00 0.00 C ATOM 1091 CE2 TYR A 80 -4.879 8.999 9.208 1.00 0.00 C ATOM 1092 CZ TYR A 80 -4.397 9.464 7.975 1.00 0.00 C ATOM 1093 OH TYR A 80 -3.078 9.775 7.845 1.00 0.00 O ATOM 0 H TYR A 80 -10.462 6.637 8.115 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.399 7.544 6.350 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.277 8.963 8.108 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.700 7.849 9.331 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -7.362 9.701 6.303 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.595 8.263 10.286 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -4.933 10.111 5.988 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -4.204 8.886 10.044 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.602 9.532 8.666 1.00 0.00 H new ATOM 1103 N ILE A 81 -6.393 6.127 6.873 1.00 0.00 N ATOM 1104 CA ILE A 81 -5.417 5.069 6.728 1.00 0.00 C ATOM 1105 C ILE A 81 -4.375 5.161 7.828 1.00 0.00 C ATOM 1106 O ILE A 81 -3.853 6.242 8.087 1.00 0.00 O ATOM 1107 CB ILE A 81 -4.734 5.126 5.351 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -4.809 6.484 4.623 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -5.250 3.966 4.507 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -6.145 6.768 3.917 1.00 0.00 C ATOM 0 H ILE A 81 -6.137 6.979 6.375 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.941 4.117 6.809 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.662 5.020 5.519 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.621 7.278 5.346 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.008 6.529 3.885 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -4.776 3.991 3.526 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.014 3.023 5.001 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.330 4.053 4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.101 7.744 3.435 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.330 6.000 3.166 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.952 6.761 4.649 1.00 0.00 H new ATOM 1122 N ARG A 82 -4.066 4.024 8.448 1.00 0.00 N ATOM 1123 CA ARG A 82 -3.109 3.929 9.539 1.00 0.00 C ATOM 1124 C ARG A 82 -1.992 2.954 9.217 1.00 0.00 C ATOM 1125 O ARG A 82 -0.857 3.198 9.621 1.00 0.00 O ATOM 1126 CB ARG A 82 -3.811 3.415 10.788 1.00 0.00 C ATOM 1127 CG ARG A 82 -4.281 4.527 11.723 1.00 0.00 C ATOM 1128 CD ARG A 82 -5.272 5.509 11.083 1.00 0.00 C ATOM 1129 NE ARG A 82 -5.854 6.432 12.070 1.00 0.00 N ATOM 1130 CZ ARG A 82 -6.820 6.129 12.946 1.00 0.00 C ATOM 1131 NH1 ARG A 82 -7.271 4.880 13.032 1.00 0.00 N ATOM 1132 NH2 ARG A 82 -7.326 7.095 13.705 1.00 0.00 N ATOM 0 H ARG A 82 -4.484 3.128 8.198 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.692 4.924 9.693 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.670 2.813 10.491 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.133 2.756 11.331 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.747 4.077 12.599 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.412 5.083 12.075 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.764 6.082 10.307 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.071 4.950 10.595 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.490 7.385 12.088 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.881 4.154 12.431 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.007 4.648 13.699 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -6.978 8.050 13.615 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.063 6.882 14.378 1.00 0.00 H new ATOM 1146 N SER A 83 -2.313 1.813 8.605 1.00 0.00 N ATOM 1147 CA SER A 83 -1.289 0.812 8.297 1.00 0.00 C ATOM 1148 C SER A 83 -1.506 0.124 6.947 1.00 0.00 C ATOM 1149 O SER A 83 -2.609 0.191 6.412 1.00 0.00 O ATOM 1150 CB SER A 83 -1.216 -0.238 9.406 1.00 0.00 C ATOM 1151 OG SER A 83 -1.556 0.294 10.679 1.00 0.00 O ATOM 0 H SER A 83 -3.258 1.561 8.316 1.00 0.00 H new ATOM 0 HA SER A 83 -0.344 1.352 8.233 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.889 -1.061 9.168 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.208 -0.651 9.445 1.00 0.00 H new ATOM 0 HG SER A 83 -2.524 0.225 10.815 1.00 0.00 H new ATOM 1157 N TYR A 84 -0.510 -0.612 6.441 1.00 0.00 N ATOM 1158 CA TYR A 84 -0.699 -1.586 5.369 1.00 0.00 C ATOM 1159 C TYR A 84 0.369 -2.676 5.397 1.00 0.00 C ATOM 1160 O TYR A 84 1.421 -2.495 6.010 1.00 0.00 O ATOM 1161 CB TYR A 84 -0.747 -0.928 3.982 1.00 0.00 C ATOM 1162 CG TYR A 84 0.591 -0.614 3.332 1.00 0.00 C ATOM 1163 CD1 TYR A 84 1.432 0.382 3.861 1.00 0.00 C ATOM 1164 CD2 TYR A 84 0.973 -1.291 2.158 1.00 0.00 C ATOM 1165 CE1 TYR A 84 2.630 0.712 3.203 1.00 0.00 C ATOM 1166 CE2 TYR A 84 2.164 -0.950 1.498 1.00 0.00 C ATOM 1167 CZ TYR A 84 2.991 0.058 2.014 1.00 0.00 C ATOM 1168 OH TYR A 84 4.118 0.399 1.336 1.00 0.00 O ATOM 0 H TYR A 84 0.454 -0.546 6.768 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.669 -2.049 5.552 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.306 -1.583 3.313 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -1.312 0.000 4.064 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.158 0.893 4.772 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.346 -2.077 1.763 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.276 1.473 3.615 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.444 -1.465 0.591 1.00 0.00 H new ATOM 0 HH TYR A 84 4.641 1.033 1.869 1.00 0.00 H new ATOM 1178 N ARG A 85 0.085 -3.799 4.731 1.00 0.00 N ATOM 1179 CA ARG A 85 1.015 -4.838 4.347 1.00 0.00 C ATOM 1180 C ARG A 85 0.680 -5.283 2.929 1.00 0.00 C ATOM 1181 O ARG A 85 -0.504 -5.344 2.592 1.00 0.00 O ATOM 1182 CB ARG A 85 0.795 -6.026 5.274 1.00 0.00 C ATOM 1183 CG ARG A 85 1.673 -5.877 6.510 1.00 0.00 C ATOM 1184 CD ARG A 85 1.092 -6.473 7.782 1.00 0.00 C ATOM 1185 NE ARG A 85 0.856 -7.925 7.732 1.00 0.00 N ATOM 1186 CZ ARG A 85 0.268 -8.592 8.739 1.00 0.00 C ATOM 1187 NH1 ARG A 85 -0.381 -7.907 9.683 1.00 0.00 N ATOM 1188 NH2 ARG A 85 0.358 -9.917 8.793 1.00 0.00 N ATOM 0 H ARG A 85 -0.867 -4.010 4.431 1.00 0.00 H new ATOM 0 HA ARG A 85 2.042 -4.477 4.405 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.254 -6.084 5.565 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.034 -6.954 4.755 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.636 -6.347 6.313 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.864 -4.817 6.677 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.768 -6.257 8.609 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.149 -5.973 8.003 1.00 0.00 H new ATOM 0 HE ARG A 85 1.149 -8.443 6.904 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.426 -6.889 9.634 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.832 -8.401 10.453 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.872 -10.423 8.072 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.087 -10.428 9.556 1.00 0.00 H new ATOM 1202 N ARG A 86 1.685 -5.648 2.129 1.00 0.00 N ATOM 1203 CA ARG A 86 1.415 -6.349 0.882 1.00 0.00 C ATOM 1204 C ARG A 86 1.090 -7.811 1.169 1.00 0.00 C ATOM 1205 O ARG A 86 1.569 -8.369 2.158 1.00 0.00 O ATOM 1206 CB ARG A 86 2.535 -6.217 -0.154 1.00 0.00 C ATOM 1207 CG ARG A 86 3.858 -6.872 0.237 1.00 0.00 C ATOM 1208 CD ARG A 86 4.855 -6.978 -0.926 1.00 0.00 C ATOM 1209 NE ARG A 86 4.592 -5.993 -1.983 1.00 0.00 N ATOM 1210 CZ ARG A 86 4.392 -6.350 -3.260 1.00 0.00 C ATOM 1211 NH1 ARG A 86 5.004 -7.418 -3.769 1.00 0.00 N ATOM 1212 NH2 ARG A 86 3.546 -5.664 -4.014 1.00 0.00 N ATOM 0 H ARG A 86 2.671 -5.472 2.321 1.00 0.00 H new ATOM 0 HA ARG A 86 0.549 -5.868 0.429 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.194 -6.654 -1.093 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.713 -5.158 -0.341 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.313 -6.299 1.045 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.659 -7.870 0.627 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.867 -6.838 -0.547 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.809 -7.981 -1.349 1.00 0.00 H new ATOM 0 HE ARG A 86 4.560 -5.004 -1.737 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.631 -7.972 -3.186 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.845 -7.681 -4.742 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.047 -4.865 -3.623 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.393 -5.935 -4.985 1.00 0.00 H new ATOM 1226 N VAL A 87 0.321 -8.414 0.269 1.00 0.00 N ATOM 1227 CA VAL A 87 0.127 -9.847 0.141 1.00 0.00 C ATOM 1228 C VAL A 87 0.684 -10.347 -1.203 1.00 0.00 C ATOM 1229 O VAL A 87 0.916 -11.544 -1.345 1.00 0.00 O ATOM 1230 CB VAL A 87 -1.354 -10.212 0.350 1.00 0.00 C ATOM 1231 CG1 VAL A 87 -1.823 -9.812 1.756 1.00 0.00 C ATOM 1232 CG2 VAL A 87 -2.288 -9.578 -0.687 1.00 0.00 C ATOM 0 H VAL A 87 -0.209 -7.886 -0.424 1.00 0.00 H new ATOM 0 HA VAL A 87 0.688 -10.359 0.923 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.410 -11.294 0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.872 -10.080 1.880 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.225 -10.335 2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.706 -8.736 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.316 -9.876 -0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.208 -8.492 -0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.006 -9.914 -1.685 1.00 0.00 H new ATOM 1242 N GLU A 88 0.909 -9.462 -2.181 1.00 0.00 N ATOM 1243 CA GLU A 88 1.711 -9.699 -3.372 1.00 0.00 C ATOM 1244 C GLU A 88 1.993 -8.336 -3.988 1.00 0.00 C ATOM 1245 CB GLU A 88 0.997 -10.588 -4.395 1.00 0.00 C ATOM 1246 CG GLU A 88 1.887 -11.782 -4.748 1.00 0.00 C ATOM 1247 CD GLU A 88 1.308 -12.540 -5.908 1.00 0.00 C ATOM 1248 OE1 GLU A 88 0.125 -12.934 -5.794 1.00 0.00 O ATOM 1249 OE2 GLU A 88 2.005 -12.698 -6.930 1.00 0.00 O ATOM 0 H GLU A 88 0.516 -8.521 -2.156 1.00 0.00 H new ATOM 0 HA GLU A 88 2.625 -10.224 -3.093 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.048 -10.937 -3.989 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.768 -10.014 -5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.890 -11.435 -4.996 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.982 -12.441 -3.885 1.00 0.00 H new TER 1256 GLU A 88