USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=24 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 23 ASN : amide:sc= 0.815 K(o=0.81,f=-0.6) USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -105:sc= 1.3 (180deg=-0.144) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl -143:sc= -0.622 (180deg=-1.83) USER MOD Single : A 9 LYS NZ :NH3+ -158:sc= -0.126 (180deg=-0.317) USER MOD Single : A 10 ASN : amide:sc= -0.0446 K(o=-0.045,f=-7.9!) USER MOD Single : A 14 ASN : amide:sc= -0.3 K(o=-0.3,f=-0.87) USER MOD Single : A 15 THR OG1 : rot -60:sc= 0.456 USER MOD Single : A 17 SER OG : rot 180:sc= 0.207 USER MOD Single : A 21 LYS NZ :NH3+ -164:sc= -0.026 (180deg=-0.255) USER MOD Single : A 22 GLN : amide:sc= 0.866 K(o=0.87,f=-1.2) USER MOD Single : A 25 ASN : amide:sc= -0.282 K(o=-0.28,f=-3.1!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc=-0.00211 X(o=-0.0021,f=-0.0021) USER MOD Single : A 35 HIS : no HE2:sc= 0.835 K(o=0.83,f=-5.6!) USER MOD Single : A 37 MET CE :methyl 167:sc= -0.145 (180deg=-0.383) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0776 USER MOD Single : A 42 SER OG : rot 180:sc= 0 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 X(o=0,f=-0.35) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.00489 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 173:sc= 0 (180deg=-0.0772) USER MOD Single : A 70 ASN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00524 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.211 K(o=-0.21,f=-1.5) USER MOD Single : A 77 THR OG1 : rot 65:sc= 1.09 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 110:sc= 1.38 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.527 -8.631 -13.688 1.00 0.00 N ATOM 2 CA GLY A 1 11.919 -9.204 -12.483 1.00 0.00 C ATOM 3 C GLY A 1 12.450 -8.498 -11.252 1.00 0.00 C ATOM 4 O GLY A 1 13.202 -9.074 -10.462 1.00 0.00 O ATOM 0 H1 GLY A 1 11.833 -8.028 -14.174 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.355 -8.061 -13.422 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.825 -9.398 -14.325 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.835 -9.105 -12.530 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.140 -10.270 -12.425 1.00 0.00 H new ATOM 7 N ASP A 2 12.117 -7.220 -11.150 1.00 0.00 N ATOM 8 CA ASP A 2 12.807 -6.223 -10.349 1.00 0.00 C ATOM 9 C ASP A 2 12.127 -4.870 -10.529 1.00 0.00 C ATOM 10 O ASP A 2 12.091 -4.313 -11.624 1.00 0.00 O ATOM 11 CB ASP A 2 14.293 -6.106 -10.737 1.00 0.00 C ATOM 12 CG ASP A 2 14.532 -6.050 -12.233 1.00 0.00 C ATOM 13 OD1 ASP A 2 14.608 -7.149 -12.826 1.00 0.00 O ATOM 14 OD2 ASP A 2 14.655 -4.946 -12.797 1.00 0.00 O ATOM 0 H ASP A 2 11.317 -6.832 -11.650 1.00 0.00 H new ATOM 0 HA ASP A 2 12.757 -6.537 -9.306 1.00 0.00 H new ATOM 0 HB2 ASP A 2 14.709 -5.209 -10.278 1.00 0.00 H new ATOM 0 HB3 ASP A 2 14.835 -6.956 -10.323 1.00 0.00 H new ATOM 19 N GLY A 3 11.603 -4.335 -9.438 1.00 0.00 N ATOM 20 CA GLY A 3 11.168 -2.958 -9.311 1.00 0.00 C ATOM 21 C GLY A 3 10.931 -2.699 -7.835 1.00 0.00 C ATOM 22 O GLY A 3 11.464 -3.432 -7.003 1.00 0.00 O ATOM 0 H GLY A 3 11.464 -4.873 -8.582 1.00 0.00 H new ATOM 0 HA2 GLY A 3 11.923 -2.278 -9.705 1.00 0.00 H new ATOM 0 HA3 GLY A 3 10.256 -2.788 -9.883 1.00 0.00 H new ATOM 26 N TYR A 4 10.121 -1.701 -7.499 1.00 0.00 N ATOM 27 CA TYR A 4 9.775 -1.374 -6.119 1.00 0.00 C ATOM 28 C TYR A 4 8.266 -1.447 -5.921 1.00 0.00 C ATOM 29 O TYR A 4 7.513 -1.582 -6.892 1.00 0.00 O ATOM 30 CB TYR A 4 10.291 0.025 -5.774 1.00 0.00 C ATOM 31 CG TYR A 4 10.000 1.084 -6.821 1.00 0.00 C ATOM 32 CD1 TYR A 4 8.760 1.752 -6.827 1.00 0.00 C ATOM 33 CD2 TYR A 4 10.908 1.287 -7.875 1.00 0.00 C ATOM 34 CE1 TYR A 4 8.421 2.600 -7.896 1.00 0.00 C ATOM 35 CE2 TYR A 4 10.556 2.116 -8.949 1.00 0.00 C ATOM 36 CZ TYR A 4 9.321 2.781 -8.960 1.00 0.00 C ATOM 37 OH TYR A 4 8.974 3.512 -10.051 1.00 0.00 O ATOM 0 H TYR A 4 9.680 -1.088 -8.185 1.00 0.00 H new ATOM 0 HA TYR A 4 10.245 -2.098 -5.453 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.849 0.338 -4.828 1.00 0.00 H new ATOM 0 HB3 TYR A 4 11.369 -0.028 -5.620 1.00 0.00 H new ATOM 0 HD1 TYR A 4 8.069 1.613 -6.009 1.00 0.00 H new ATOM 0 HD2 TYR A 4 11.874 0.805 -7.857 1.00 0.00 H new ATOM 0 HE1 TYR A 4 7.470 3.112 -7.899 1.00 0.00 H new ATOM 0 HE2 TYR A 4 11.241 2.244 -9.774 1.00 0.00 H new ATOM 0 HH TYR A 4 9.722 3.530 -10.684 1.00 0.00 H new ATOM 47 N LEU A 5 7.850 -1.320 -4.664 1.00 0.00 N ATOM 48 CA LEU A 5 6.485 -1.179 -4.193 1.00 0.00 C ATOM 49 C LEU A 5 6.523 -0.501 -2.830 1.00 0.00 C ATOM 50 O LEU A 5 6.474 -1.147 -1.784 1.00 0.00 O ATOM 51 CB LEU A 5 5.776 -2.531 -4.156 1.00 0.00 C ATOM 52 CG LEU A 5 4.249 -2.365 -4.112 1.00 0.00 C ATOM 53 CD1 LEU A 5 3.631 -3.517 -4.909 1.00 0.00 C ATOM 54 CD2 LEU A 5 3.687 -2.308 -2.688 1.00 0.00 C ATOM 0 H LEU A 5 8.516 -1.313 -3.891 1.00 0.00 H new ATOM 0 HA LEU A 5 5.907 -0.560 -4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.055 -3.113 -5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 5 6.107 -3.093 -3.283 1.00 0.00 H new ATOM 0 HG LEU A 5 3.988 -1.404 -4.556 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.545 -3.427 -4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.986 -3.479 -5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.921 -4.467 -4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.604 -2.190 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.932 -3.231 -2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.124 -1.462 -2.158 1.00 0.00 H new ATOM 66 N ILE A 6 6.626 0.818 -2.880 1.00 0.00 N ATOM 67 CA ILE A 6 6.672 1.705 -1.729 1.00 0.00 C ATOM 68 C ILE A 6 5.354 2.456 -1.674 1.00 0.00 C ATOM 69 O ILE A 6 4.543 2.340 -2.603 1.00 0.00 O ATOM 70 CB ILE A 6 7.825 2.706 -1.913 1.00 0.00 C ATOM 71 CG1 ILE A 6 7.665 3.537 -3.205 1.00 0.00 C ATOM 72 CG2 ILE A 6 9.152 1.952 -1.854 1.00 0.00 C ATOM 73 CD1 ILE A 6 8.945 4.258 -3.612 1.00 0.00 C ATOM 0 H ILE A 6 6.682 1.322 -3.765 1.00 0.00 H new ATOM 0 HA ILE A 6 6.830 1.142 -0.809 1.00 0.00 H new ATOM 0 HB ILE A 6 7.806 3.432 -1.101 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.351 2.880 -4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.871 4.270 -3.063 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.976 2.654 -1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.246 1.457 -0.888 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.182 1.206 -2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.769 4.824 -4.526 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.248 4.939 -2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.735 3.527 -3.785 1.00 0.00 H new ATOM 85 N MET A 7 5.155 3.268 -0.639 1.00 0.00 N ATOM 86 CA MET A 7 4.202 4.327 -0.704 1.00 0.00 C ATOM 87 C MET A 7 4.850 5.663 -0.385 1.00 0.00 C ATOM 88 O MET A 7 6.028 5.741 -0.050 1.00 0.00 O ATOM 89 CB MET A 7 2.947 3.952 0.065 1.00 0.00 C ATOM 90 CG MET A 7 3.032 3.836 1.582 1.00 0.00 C ATOM 91 SD MET A 7 1.457 3.410 2.380 1.00 0.00 S ATOM 92 CE MET A 7 0.282 4.546 1.604 1.00 0.00 C ATOM 0 H MET A 7 5.652 3.197 0.249 1.00 0.00 H new ATOM 0 HA MET A 7 3.843 4.474 -1.723 1.00 0.00 H new ATOM 0 HB2 MET A 7 2.181 4.692 -0.169 1.00 0.00 H new ATOM 0 HB3 MET A 7 2.595 2.996 -0.321 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.773 3.079 1.837 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.390 4.782 1.989 1.00 0.00 H new ATOM 0 HE1 MET A 7 -0.449 4.874 2.343 1.00 0.00 H new ATOM 0 HE2 MET A 7 0.817 5.412 1.214 1.00 0.00 H new ATOM 0 HE3 MET A 7 -0.230 4.038 0.787 1.00 0.00 H new ATOM 102 N CYS A 8 4.093 6.723 -0.633 1.00 0.00 N ATOM 103 CA CYS A 8 4.583 8.062 -0.840 1.00 0.00 C ATOM 104 C CYS A 8 3.492 9.047 -0.496 1.00 0.00 C ATOM 105 O CYS A 8 2.313 8.708 -0.394 1.00 0.00 O ATOM 106 CB CYS A 8 4.923 8.270 -2.321 1.00 0.00 C ATOM 107 SG CYS A 8 6.113 7.170 -3.115 1.00 0.00 S ATOM 0 H CYS A 8 3.077 6.661 -0.696 1.00 0.00 H new ATOM 0 HA CYS A 8 5.465 8.210 -0.217 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.991 8.206 -2.883 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.293 9.289 -2.432 1.00 0.00 H new ATOM 112 N LYS A 9 3.892 10.295 -0.309 1.00 0.00 N ATOM 113 CA LYS A 9 2.948 11.378 -0.054 1.00 0.00 C ATOM 114 C LYS A 9 2.309 11.980 -1.295 1.00 0.00 C ATOM 115 O LYS A 9 1.199 12.501 -1.229 1.00 0.00 O ATOM 116 CB LYS A 9 3.590 12.417 0.845 1.00 0.00 C ATOM 117 CG LYS A 9 4.974 12.860 0.387 1.00 0.00 C ATOM 118 CD LYS A 9 5.434 14.146 1.086 1.00 0.00 C ATOM 119 CE LYS A 9 4.587 15.410 0.835 1.00 0.00 C ATOM 120 NZ LYS A 9 3.921 15.422 -0.483 1.00 0.00 N ATOM 0 H LYS A 9 4.869 10.587 -0.329 1.00 0.00 H new ATOM 0 HA LYS A 9 2.099 10.935 0.466 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.939 13.290 0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.664 12.013 1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.692 12.064 0.585 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.964 13.019 -0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.458 13.960 2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.458 14.355 0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.831 15.492 1.616 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.227 16.289 0.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.691 16.401 -0.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.556 15.011 -1.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.046 14.862 -0.435 1.00 0.00 H new ATOM 134 N ASN A 10 3.021 11.939 -2.406 1.00 0.00 N ATOM 135 CA ASN A 10 2.455 12.264 -3.717 1.00 0.00 C ATOM 136 C ASN A 10 2.609 11.071 -4.645 1.00 0.00 C ATOM 137 O ASN A 10 3.178 10.055 -4.266 1.00 0.00 O ATOM 138 CB ASN A 10 3.049 13.550 -4.316 1.00 0.00 C ATOM 139 CG ASN A 10 4.541 13.467 -4.610 1.00 0.00 C ATOM 140 OD1 ASN A 10 5.067 12.385 -4.817 1.00 0.00 O ATOM 141 ND2 ASN A 10 5.237 14.598 -4.572 1.00 0.00 N ATOM 0 H ASN A 10 4.007 11.681 -2.433 1.00 0.00 H new ATOM 0 HA ASN A 10 1.393 12.472 -3.589 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.520 13.786 -5.239 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.871 14.375 -3.627 1.00 0.00 H new ATOM 0 HD21 ASN A 10 6.246 14.581 -4.719 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.762 15.483 -4.396 1.00 0.00 H new ATOM 148 N CYS A 11 2.098 11.211 -5.864 1.00 0.00 N ATOM 149 CA CYS A 11 2.051 10.146 -6.862 1.00 0.00 C ATOM 150 C CYS A 11 3.404 9.893 -7.526 1.00 0.00 C ATOM 151 O CYS A 11 3.520 9.042 -8.405 1.00 0.00 O ATOM 152 CB CYS A 11 1.049 10.624 -7.920 1.00 0.00 C ATOM 153 SG CYS A 11 0.685 9.566 -9.343 1.00 0.00 S ATOM 0 H CYS A 11 1.695 12.088 -6.194 1.00 0.00 H new ATOM 0 HA CYS A 11 1.767 9.206 -6.389 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.106 10.823 -7.411 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.410 11.577 -8.305 1.00 0.00 H new ATOM 158 N ASP A 12 4.441 10.599 -7.078 1.00 0.00 N ATOM 159 CA ASP A 12 5.673 10.765 -7.834 1.00 0.00 C ATOM 160 C ASP A 12 6.891 10.434 -6.964 1.00 0.00 C ATOM 161 O ASP A 12 7.360 11.279 -6.203 1.00 0.00 O ATOM 162 CB ASP A 12 5.722 12.205 -8.338 1.00 0.00 C ATOM 163 CG ASP A 12 6.893 12.396 -9.266 1.00 0.00 C ATOM 164 OD1 ASP A 12 8.021 12.455 -8.756 1.00 0.00 O ATOM 165 OD2 ASP A 12 6.667 12.552 -10.484 1.00 0.00 O ATOM 0 H ASP A 12 4.446 11.073 -6.175 1.00 0.00 H new ATOM 0 HA ASP A 12 5.696 10.079 -8.681 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.795 12.447 -8.857 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.803 12.890 -7.494 1.00 0.00 H new ATOM 170 N PRO A 13 7.423 9.207 -7.032 1.00 0.00 N ATOM 171 CA PRO A 13 8.493 8.793 -6.144 1.00 0.00 C ATOM 172 C PRO A 13 9.819 9.504 -6.416 1.00 0.00 C ATOM 173 O PRO A 13 10.754 9.403 -5.621 1.00 0.00 O ATOM 174 CB PRO A 13 8.617 7.281 -6.304 1.00 0.00 C ATOM 175 CG PRO A 13 7.917 6.949 -7.622 1.00 0.00 C ATOM 176 CD PRO A 13 6.962 8.118 -7.872 1.00 0.00 C ATOM 0 HA PRO A 13 8.251 9.069 -5.118 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.662 6.974 -6.327 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.149 6.759 -5.469 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.636 6.846 -8.435 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.376 6.005 -7.554 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.969 8.408 -8.923 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.937 7.843 -7.624 1.00 0.00 H new ATOM 184 N ASN A 14 9.943 10.202 -7.538 1.00 0.00 N ATOM 185 CA ASN A 14 11.076 11.074 -7.791 1.00 0.00 C ATOM 186 C ASN A 14 10.997 12.295 -6.882 1.00 0.00 C ATOM 187 O ASN A 14 11.965 12.618 -6.198 1.00 0.00 O ATOM 188 CB ASN A 14 11.109 11.458 -9.268 1.00 0.00 C ATOM 189 CG ASN A 14 12.139 12.529 -9.588 1.00 0.00 C ATOM 190 OD1 ASN A 14 13.160 12.662 -8.914 1.00 0.00 O ATOM 191 ND2 ASN A 14 11.884 13.304 -10.630 1.00 0.00 N ATOM 0 H ASN A 14 9.260 10.178 -8.295 1.00 0.00 H new ATOM 0 HA ASN A 14 12.007 10.555 -7.565 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.322 10.570 -9.863 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.122 11.812 -9.566 1.00 0.00 H new ATOM 0 HD21 ASN A 14 12.543 14.036 -10.894 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.029 13.169 -11.169 1.00 0.00 H new ATOM 198 N THR A 15 9.853 12.969 -6.851 1.00 0.00 N ATOM 199 CA THR A 15 9.678 14.255 -6.189 1.00 0.00 C ATOM 200 C THR A 15 8.769 14.147 -4.960 1.00 0.00 C ATOM 201 O THR A 15 8.204 15.148 -4.513 1.00 0.00 O ATOM 202 CB THR A 15 9.213 15.303 -7.217 1.00 0.00 C ATOM 203 OG1 THR A 15 7.965 14.964 -7.792 1.00 0.00 O ATOM 204 CG2 THR A 15 10.224 15.403 -8.362 1.00 0.00 C ATOM 0 H THR A 15 9.001 12.627 -7.296 1.00 0.00 H new ATOM 0 HA THR A 15 10.636 14.592 -5.793 1.00 0.00 H new ATOM 0 HB THR A 15 9.124 16.247 -6.679 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.040 14.101 -8.251 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.885 16.147 -9.083 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.195 15.699 -7.965 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.313 14.435 -8.855 1.00 0.00 H new ATOM 212 N GLY A 16 8.641 12.958 -4.376 1.00 0.00 N ATOM 213 CA GLY A 16 7.929 12.728 -3.136 1.00 0.00 C ATOM 214 C GLY A 16 8.744 11.845 -2.204 1.00 0.00 C ATOM 215 O GLY A 16 9.313 10.840 -2.625 1.00 0.00 O ATOM 0 H GLY A 16 9.044 12.108 -4.769 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.718 13.681 -2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.969 12.256 -3.344 1.00 0.00 H new ATOM 219 N SER A 17 8.766 12.208 -0.923 1.00 0.00 N ATOM 220 CA SER A 17 9.288 11.373 0.139 1.00 0.00 C ATOM 221 C SER A 17 8.410 10.123 0.231 1.00 0.00 C ATOM 222 O SER A 17 7.179 10.238 0.254 1.00 0.00 O ATOM 223 CB SER A 17 9.268 12.173 1.452 1.00 0.00 C ATOM 224 OG SER A 17 8.854 13.520 1.236 1.00 0.00 O ATOM 0 H SER A 17 8.414 13.108 -0.596 1.00 0.00 H new ATOM 0 HA SER A 17 10.316 11.069 -0.057 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.594 11.693 2.162 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.262 12.164 1.900 1.00 0.00 H new ATOM 0 HG SER A 17 8.850 14.002 2.089 1.00 0.00 H new ATOM 230 N CYS A 18 9.021 8.941 0.239 1.00 0.00 N ATOM 231 CA CYS A 18 8.337 7.673 0.160 1.00 0.00 C ATOM 232 C CYS A 18 8.947 6.727 1.180 1.00 0.00 C ATOM 233 O CYS A 18 10.140 6.862 1.465 1.00 0.00 O ATOM 234 CB CYS A 18 8.612 7.086 -1.218 1.00 0.00 C ATOM 235 SG CYS A 18 7.980 7.970 -2.652 1.00 0.00 S ATOM 0 H CYS A 18 10.035 8.847 0.303 1.00 0.00 H new ATOM 0 HA CYS A 18 7.270 7.804 0.340 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.692 6.993 -1.332 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.201 6.077 -1.240 1.00 0.00 H new ATOM 240 N ASP A 19 8.187 5.766 1.712 1.00 0.00 N ATOM 241 CA ASP A 19 8.758 4.733 2.558 1.00 0.00 C ATOM 242 C ASP A 19 9.285 3.571 1.718 1.00 0.00 C ATOM 243 O ASP A 19 8.588 2.607 1.412 1.00 0.00 O ATOM 244 CB ASP A 19 7.828 4.314 3.695 1.00 0.00 C ATOM 245 CG ASP A 19 6.442 3.841 3.333 1.00 0.00 C ATOM 246 OD1 ASP A 19 5.789 4.552 2.542 1.00 0.00 O ATOM 247 OD2 ASP A 19 5.916 2.988 4.085 1.00 0.00 O ATOM 0 H ASP A 19 7.180 5.688 1.569 1.00 0.00 H new ATOM 0 HA ASP A 19 9.622 5.159 3.068 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.319 3.516 4.252 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.726 5.161 4.374 1.00 0.00 H new ATOM 252 N TRP A 20 10.586 3.635 1.441 1.00 0.00 N ATOM 253 CA TRP A 20 11.413 2.590 0.862 1.00 0.00 C ATOM 254 C TRP A 20 11.841 1.680 2.006 1.00 0.00 C ATOM 255 O TRP A 20 13.028 1.502 2.287 1.00 0.00 O ATOM 256 CB TRP A 20 12.629 3.210 0.160 1.00 0.00 C ATOM 257 CG TRP A 20 12.360 4.068 -1.040 1.00 0.00 C ATOM 258 CD1 TRP A 20 12.122 5.397 -1.024 1.00 0.00 C ATOM 259 CD2 TRP A 20 12.361 3.684 -2.447 1.00 0.00 C ATOM 260 NE1 TRP A 20 12.017 5.864 -2.316 1.00 0.00 N ATOM 261 CE2 TRP A 20 12.118 4.847 -3.236 1.00 0.00 C ATOM 262 CE3 TRP A 20 12.551 2.470 -3.137 1.00 0.00 C ATOM 263 CZ2 TRP A 20 12.027 4.806 -4.634 1.00 0.00 C ATOM 264 CZ3 TRP A 20 12.506 2.426 -4.541 1.00 0.00 C ATOM 265 CH2 TRP A 20 12.208 3.577 -5.287 1.00 0.00 C ATOM 0 H TRP A 20 11.124 4.481 1.631 1.00 0.00 H new ATOM 0 HA TRP A 20 10.866 2.020 0.111 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.172 3.810 0.890 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.293 2.401 -0.144 1.00 0.00 H new ATOM 0 HD1 TRP A 20 12.028 6.002 -0.134 1.00 0.00 H new ATOM 0 HE1 TRP A 20 11.881 6.845 -2.560 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.733 1.563 -2.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 11.821 5.704 -5.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 12.703 1.495 -5.052 1.00 0.00 H new ATOM 0 HH2 TRP A 20 12.118 3.517 -6.362 1.00 0.00 H new ATOM 276 N LYS A 21 10.841 1.137 2.686 1.00 0.00 N ATOM 277 CA LYS A 21 10.989 0.153 3.742 1.00 0.00 C ATOM 278 C LYS A 21 10.154 -1.069 3.377 1.00 0.00 C ATOM 279 O LYS A 21 9.260 -0.989 2.531 1.00 0.00 O ATOM 280 CB LYS A 21 10.550 0.792 5.067 1.00 0.00 C ATOM 281 CG LYS A 21 11.022 0.067 6.335 1.00 0.00 C ATOM 282 CD LYS A 21 12.552 -0.101 6.348 1.00 0.00 C ATOM 283 CE LYS A 21 13.122 -0.330 7.754 1.00 0.00 C ATOM 284 NZ LYS A 21 12.948 0.843 8.631 1.00 0.00 N ATOM 0 H LYS A 21 9.867 1.382 2.508 1.00 0.00 H new ATOM 0 HA LYS A 21 12.023 -0.171 3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.919 1.817 5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.461 0.844 5.083 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.708 0.628 7.215 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.546 -0.912 6.395 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.824 -0.942 5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.012 0.788 5.916 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.632 -1.193 8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.183 -0.569 7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.571 0.753 9.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.191 1.708 8.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.959 0.897 8.947 1.00 0.00 H new ATOM 298 N GLN A 22 10.441 -2.214 3.998 1.00 0.00 N ATOM 299 CA GLN A 22 9.645 -3.398 3.752 1.00 0.00 C ATOM 300 C GLN A 22 8.225 -3.151 4.237 1.00 0.00 C ATOM 301 O GLN A 22 7.994 -2.501 5.254 1.00 0.00 O ATOM 302 CB GLN A 22 10.225 -4.619 4.466 1.00 0.00 C ATOM 303 CG GLN A 22 9.362 -5.869 4.238 1.00 0.00 C ATOM 304 CD GLN A 22 10.046 -7.163 4.641 1.00 0.00 C ATOM 305 OE1 GLN A 22 11.259 -7.215 4.819 1.00 0.00 O ATOM 306 NE2 GLN A 22 9.280 -8.242 4.768 1.00 0.00 N ATOM 0 H GLN A 22 11.206 -2.338 4.661 1.00 0.00 H new ATOM 0 HA GLN A 22 9.650 -3.601 2.681 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.237 -4.804 4.107 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.298 -4.416 5.534 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.435 -5.767 4.802 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.090 -5.925 3.184 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.274 -8.174 4.615 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.698 -9.138 5.018 1.00 0.00 H new ATOM 315 N ASN A 23 7.297 -3.755 3.513 1.00 0.00 N ATOM 316 CA ASN A 23 5.867 -3.736 3.777 1.00 0.00 C ATOM 317 C ASN A 23 5.218 -5.060 3.375 1.00 0.00 C ATOM 318 O ASN A 23 3.996 -5.188 3.422 1.00 0.00 O ATOM 319 CB ASN A 23 5.204 -2.559 3.055 1.00 0.00 C ATOM 320 CG ASN A 23 5.305 -2.676 1.538 1.00 0.00 C ATOM 321 OD1 ASN A 23 4.522 -3.378 0.908 1.00 0.00 O ATOM 322 ND2 ASN A 23 6.243 -1.954 0.936 1.00 0.00 N ATOM 0 H ASN A 23 7.532 -4.299 2.683 1.00 0.00 H new ATOM 0 HA ASN A 23 5.720 -3.606 4.849 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.154 -2.504 3.343 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.672 -1.629 3.377 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.328 -1.973 -0.080 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.879 -1.380 1.490 1.00 0.00 H new ATOM 329 N TRP A 24 5.999 -6.081 3.007 1.00 0.00 N ATOM 330 CA TRP A 24 5.463 -7.360 2.658 1.00 0.00 C ATOM 331 C TRP A 24 5.377 -8.128 3.965 1.00 0.00 C ATOM 332 O TRP A 24 6.390 -8.292 4.647 1.00 0.00 O ATOM 333 CB TRP A 24 6.387 -7.984 1.611 1.00 0.00 C ATOM 334 CG TRP A 24 6.223 -9.448 1.432 1.00 0.00 C ATOM 335 CD1 TRP A 24 6.730 -10.349 2.287 1.00 0.00 C ATOM 336 CD2 TRP A 24 5.436 -10.191 0.464 1.00 0.00 C ATOM 337 NE1 TRP A 24 6.306 -11.615 1.921 1.00 0.00 N ATOM 338 CE2 TRP A 24 5.489 -11.574 0.802 1.00 0.00 C ATOM 339 CE3 TRP A 24 4.651 -9.829 -0.643 1.00 0.00 C ATOM 340 CZ2 TRP A 24 4.778 -12.546 0.074 1.00 0.00 C ATOM 341 CZ3 TRP A 24 3.872 -10.777 -1.322 1.00 0.00 C ATOM 342 CH2 TRP A 24 3.952 -12.137 -0.990 1.00 0.00 C ATOM 0 H TRP A 24 7.016 -6.024 2.949 1.00 0.00 H new ATOM 0 HA TRP A 24 4.471 -7.339 2.206 1.00 0.00 H new ATOM 0 HB2 TRP A 24 6.213 -7.493 0.654 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.421 -7.780 1.890 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.368 -10.122 3.128 1.00 0.00 H new ATOM 0 HE1 TRP A 24 6.563 -12.471 2.413 1.00 0.00 H new ATOM 0 HE3 TRP A 24 4.647 -8.802 -0.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 4.865 -13.592 0.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.204 -10.457 -2.108 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.383 -12.866 -1.547 1.00 0.00 H new ATOM 353 N ASN A 25 4.170 -8.569 4.311 1.00 0.00 N ATOM 354 CA ASN A 25 3.920 -9.532 5.374 1.00 0.00 C ATOM 355 C ASN A 25 4.539 -9.077 6.699 1.00 0.00 C ATOM 356 O ASN A 25 5.021 -9.886 7.494 1.00 0.00 O ATOM 357 CB ASN A 25 4.376 -10.934 4.938 1.00 0.00 C ATOM 358 CG ASN A 25 3.618 -11.447 3.711 1.00 0.00 C ATOM 359 OD1 ASN A 25 3.221 -10.688 2.828 1.00 0.00 O ATOM 360 ND2 ASN A 25 3.369 -12.745 3.625 1.00 0.00 N ATOM 0 H ASN A 25 3.318 -8.256 3.846 1.00 0.00 H new ATOM 0 HA ASN A 25 2.847 -9.589 5.557 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.443 -10.912 4.718 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.235 -11.631 5.764 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.849 -13.113 2.828 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.697 -13.377 4.356 1.00 0.00 H new ATOM 367 N THR A 26 4.476 -7.772 6.960 1.00 0.00 N ATOM 368 CA THR A 26 4.895 -7.128 8.189 1.00 0.00 C ATOM 369 C THR A 26 3.816 -6.120 8.568 1.00 0.00 C ATOM 370 O THR A 26 3.115 -5.596 7.703 1.00 0.00 O ATOM 371 CB THR A 26 6.270 -6.480 7.998 1.00 0.00 C ATOM 372 OG1 THR A 26 6.673 -5.801 9.159 1.00 0.00 O ATOM 373 CG2 THR A 26 6.341 -5.523 6.806 1.00 0.00 C ATOM 0 H THR A 26 4.111 -7.106 6.279 1.00 0.00 H new ATOM 0 HA THR A 26 5.006 -7.846 9.001 1.00 0.00 H new ATOM 0 HB THR A 26 6.950 -7.306 7.790 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.554 -5.397 9.013 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.345 -5.104 6.735 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.109 -6.066 5.890 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.620 -4.717 6.943 1.00 0.00 H new ATOM 381 N CYS A 27 3.635 -5.909 9.863 1.00 0.00 N ATOM 382 CA CYS A 27 2.650 -5.008 10.419 1.00 0.00 C ATOM 383 C CYS A 27 3.253 -3.603 10.426 1.00 0.00 C ATOM 384 O CYS A 27 4.092 -3.329 11.282 1.00 0.00 O ATOM 385 CB CYS A 27 2.279 -5.480 11.832 1.00 0.00 C ATOM 386 SG CYS A 27 0.825 -4.725 12.595 1.00 0.00 S ATOM 0 H CYS A 27 4.192 -6.379 10.576 1.00 0.00 H new ATOM 0 HA CYS A 27 1.735 -4.995 9.826 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.122 -6.558 11.799 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.134 -5.302 12.484 1.00 0.00 H new ATOM 391 N VAL A 28 2.914 -2.723 9.478 1.00 0.00 N ATOM 392 CA VAL A 28 3.578 -1.427 9.300 1.00 0.00 C ATOM 393 C VAL A 28 2.535 -0.304 9.314 1.00 0.00 C ATOM 394 O VAL A 28 1.558 -0.370 8.565 1.00 0.00 O ATOM 395 CB VAL A 28 4.408 -1.465 8.000 1.00 0.00 C ATOM 396 CG1 VAL A 28 4.901 -0.090 7.531 1.00 0.00 C ATOM 397 CG2 VAL A 28 5.643 -2.349 8.215 1.00 0.00 C ATOM 0 H VAL A 28 2.165 -2.892 8.807 1.00 0.00 H new ATOM 0 HA VAL A 28 4.265 -1.225 10.122 1.00 0.00 H new ATOM 0 HB VAL A 28 3.740 -1.856 7.232 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.476 -0.204 6.612 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.045 0.560 7.346 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.533 0.352 8.301 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.233 -2.379 7.299 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.248 -1.938 9.023 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.327 -3.359 8.476 1.00 0.00 H new ATOM 407 N GLY A 29 2.744 0.700 10.178 1.00 0.00 N ATOM 408 CA GLY A 29 1.898 1.859 10.393 1.00 0.00 C ATOM 409 C GLY A 29 2.403 3.080 9.614 1.00 0.00 C ATOM 410 O GLY A 29 3.610 3.297 9.511 1.00 0.00 O ATOM 0 H GLY A 29 3.567 0.715 10.780 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.878 1.627 10.086 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.865 2.094 11.457 1.00 0.00 H new ATOM 414 N ILE A 30 1.484 3.862 9.050 1.00 0.00 N ATOM 415 CA ILE A 30 1.665 4.870 8.007 1.00 0.00 C ATOM 416 C ILE A 30 1.263 6.240 8.564 1.00 0.00 C ATOM 417 O ILE A 30 0.392 6.337 9.435 1.00 0.00 O ATOM 418 CB ILE A 30 0.758 4.469 6.815 1.00 0.00 C ATOM 419 CG1 ILE A 30 1.355 3.380 5.906 1.00 0.00 C ATOM 420 CG2 ILE A 30 0.353 5.634 5.898 1.00 0.00 C ATOM 421 CD1 ILE A 30 2.211 2.324 6.596 1.00 0.00 C ATOM 0 H ILE A 30 0.507 3.801 9.337 1.00 0.00 H new ATOM 0 HA ILE A 30 2.702 4.928 7.678 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.121 4.086 7.334 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.537 2.876 5.392 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.961 3.866 5.141 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.280 5.260 5.093 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.196 6.378 6.476 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.247 6.091 5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.576 1.611 5.856 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.058 2.805 7.085 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.612 1.799 7.340 1.00 0.00 H new ATOM 433 N GLY A 31 1.843 7.318 8.037 1.00 0.00 N ATOM 434 CA GLY A 31 1.388 8.667 8.294 1.00 0.00 C ATOM 435 C GLY A 31 2.181 9.684 7.481 1.00 0.00 C ATOM 436 O GLY A 31 2.922 9.343 6.564 1.00 0.00 O ATOM 0 H GLY A 31 2.650 7.269 7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.329 8.749 8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.488 8.890 9.356 1.00 0.00 H new ATOM 440 N ALA A 32 2.020 10.945 7.848 1.00 0.00 N ATOM 441 CA ALA A 32 2.707 12.104 7.308 1.00 0.00 C ATOM 442 C ALA A 32 2.520 12.331 5.827 1.00 0.00 C ATOM 443 O ALA A 32 3.452 12.319 5.027 1.00 0.00 O ATOM 444 CB ALA A 32 4.158 12.200 7.769 1.00 0.00 C ATOM 0 H ALA A 32 1.360 11.202 8.582 1.00 0.00 H new ATOM 0 HA ALA A 32 2.192 12.955 7.754 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.620 13.086 7.333 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.190 12.271 8.856 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.702 11.312 7.447 1.00 0.00 H new ATOM 450 N ASN A 33 1.273 12.610 5.490 1.00 0.00 N ATOM 451 CA ASN A 33 0.762 12.910 4.171 1.00 0.00 C ATOM 452 C ASN A 33 0.902 11.707 3.248 1.00 0.00 C ATOM 453 O ASN A 33 0.496 11.799 2.094 1.00 0.00 O ATOM 454 CB ASN A 33 1.477 14.118 3.531 1.00 0.00 C ATOM 455 CG ASN A 33 1.683 15.306 4.459 1.00 0.00 C ATOM 456 OD1 ASN A 33 2.814 15.733 4.669 1.00 0.00 O ATOM 457 ND2 ASN A 33 0.619 15.845 5.038 1.00 0.00 N ATOM 0 H ASN A 33 0.534 12.633 6.193 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.292 13.159 4.297 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.449 13.792 3.161 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.900 14.447 2.666 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.730 16.634 5.675 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.310 15.471 4.846 1.00 0.00 H new ATOM 464 N VAL A 34 1.378 10.566 3.752 1.00 0.00 N ATOM 465 CA VAL A 34 1.672 9.410 2.897 1.00 0.00 C ATOM 466 C VAL A 34 0.366 8.703 2.517 1.00 0.00 C ATOM 467 O VAL A 34 -0.247 8.055 3.366 1.00 0.00 O ATOM 468 CB VAL A 34 2.701 8.486 3.566 1.00 0.00 C ATOM 469 CG1 VAL A 34 2.910 7.208 2.758 1.00 0.00 C ATOM 470 CG2 VAL A 34 4.059 9.196 3.683 1.00 0.00 C ATOM 0 H VAL A 34 1.568 10.416 4.743 1.00 0.00 H new ATOM 0 HA VAL A 34 2.134 9.742 1.967 1.00 0.00 H new ATOM 0 HB VAL A 34 2.312 8.235 4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.644 6.577 3.259 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.965 6.671 2.676 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.271 7.463 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.778 8.529 4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.416 9.465 2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.947 10.098 4.284 1.00 0.00 H new ATOM 480 N HIS A 35 -0.086 8.848 1.266 1.00 0.00 N ATOM 481 CA HIS A 35 -1.304 8.203 0.775 1.00 0.00 C ATOM 482 C HIS A 35 -1.225 7.802 -0.696 1.00 0.00 C ATOM 483 O HIS A 35 -2.240 7.760 -1.389 1.00 0.00 O ATOM 484 CB HIS A 35 -2.535 9.060 1.101 1.00 0.00 C ATOM 485 CG HIS A 35 -2.898 10.176 0.158 1.00 0.00 C ATOM 486 ND1 HIS A 35 -4.053 10.211 -0.588 1.00 0.00 N ATOM 487 CD2 HIS A 35 -2.262 11.374 -0.002 1.00 0.00 C ATOM 488 CE1 HIS A 35 -4.121 11.419 -1.169 1.00 0.00 C ATOM 489 NE2 HIS A 35 -3.050 12.166 -0.845 1.00 0.00 N ATOM 0 H HIS A 35 0.386 9.419 0.565 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.410 7.258 1.308 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.394 8.393 1.174 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.385 9.495 2.089 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -4.733 9.457 -0.682 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.320 11.659 0.442 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.926 11.747 -1.810 1.00 0.00 H new ATOM 497 N TRP A 36 -0.031 7.492 -1.186 1.00 0.00 N ATOM 498 CA TRP A 36 0.123 7.055 -2.568 1.00 0.00 C ATOM 499 C TRP A 36 1.063 5.879 -2.634 1.00 0.00 C ATOM 500 O TRP A 36 2.250 6.038 -2.407 1.00 0.00 O ATOM 501 CB TRP A 36 0.725 8.190 -3.371 1.00 0.00 C ATOM 502 CG TRP A 36 -0.210 9.331 -3.521 1.00 0.00 C ATOM 503 CD1 TRP A 36 -0.535 10.233 -2.574 1.00 0.00 C ATOM 504 CD2 TRP A 36 -1.092 9.577 -4.637 1.00 0.00 C ATOM 505 NE1 TRP A 36 -1.565 11.017 -3.036 1.00 0.00 N ATOM 506 CE2 TRP A 36 -1.929 10.681 -4.322 1.00 0.00 C ATOM 507 CE3 TRP A 36 -1.300 8.924 -5.863 1.00 0.00 C ATOM 508 CZ2 TRP A 36 -2.889 11.160 -5.221 1.00 0.00 C ATOM 509 CZ3 TRP A 36 -2.231 9.418 -6.790 1.00 0.00 C ATOM 510 CH2 TRP A 36 -2.987 10.564 -6.489 1.00 0.00 C ATOM 0 H TRP A 36 0.837 7.534 -0.653 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.851 6.769 -2.966 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.638 8.533 -2.884 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.009 7.824 -4.358 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.062 10.325 -1.607 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.007 11.758 -2.492 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.737 8.032 -6.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.543 11.974 -4.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.367 8.916 -7.737 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.644 10.987 -7.234 1.00 0.00 H new ATOM 521 N MET A 37 0.565 4.716 -3.004 1.00 0.00 N ATOM 522 CA MET A 37 1.423 3.577 -3.252 1.00 0.00 C ATOM 523 C MET A 37 1.907 3.713 -4.686 1.00 0.00 C ATOM 524 O MET A 37 1.147 4.159 -5.543 1.00 0.00 O ATOM 525 CB MET A 37 0.667 2.280 -2.969 1.00 0.00 C ATOM 526 CG MET A 37 1.528 1.025 -3.141 1.00 0.00 C ATOM 527 SD MET A 37 0.613 -0.523 -2.975 1.00 0.00 S ATOM 528 CE MET A 37 -0.442 -0.453 -4.439 1.00 0.00 C ATOM 0 H MET A 37 -0.430 4.536 -3.139 1.00 0.00 H new ATOM 0 HA MET A 37 2.289 3.546 -2.591 1.00 0.00 H new ATOM 0 HB2 MET A 37 0.279 2.309 -1.951 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.193 2.216 -3.636 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.000 1.053 -4.123 1.00 0.00 H new ATOM 0 HG3 MET A 37 2.329 1.043 -2.402 1.00 0.00 H new ATOM 0 HE1 MET A 37 -0.896 -1.429 -4.607 1.00 0.00 H new ATOM 0 HE2 MET A 37 -1.225 0.290 -4.288 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.157 -0.177 -5.307 1.00 0.00 H new ATOM 538 N VAL A 38 3.155 3.359 -4.959 1.00 0.00 N ATOM 539 CA VAL A 38 3.688 3.411 -6.307 1.00 0.00 C ATOM 540 C VAL A 38 4.464 2.117 -6.501 1.00 0.00 C ATOM 541 O VAL A 38 5.387 1.838 -5.733 1.00 0.00 O ATOM 542 CB VAL A 38 4.533 4.683 -6.519 1.00 0.00 C ATOM 543 CG1 VAL A 38 4.640 4.964 -8.022 1.00 0.00 C ATOM 544 CG2 VAL A 38 3.915 5.926 -5.857 1.00 0.00 C ATOM 0 H VAL A 38 3.819 3.031 -4.257 1.00 0.00 H new ATOM 0 HA VAL A 38 2.904 3.481 -7.061 1.00 0.00 H new ATOM 0 HB VAL A 38 5.506 4.499 -6.063 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.236 5.862 -8.183 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.117 4.118 -8.517 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.643 5.111 -8.436 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.553 6.791 -6.039 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.927 6.109 -6.278 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.827 5.760 -4.783 1.00 0.00 H new ATOM 554 N THR A 39 4.048 1.291 -7.462 1.00 0.00 N ATOM 555 CA THR A 39 4.743 0.059 -7.781 1.00 0.00 C ATOM 556 C THR A 39 5.483 0.243 -9.095 1.00 0.00 C ATOM 557 O THR A 39 4.871 0.410 -10.147 1.00 0.00 O ATOM 558 CB THR A 39 3.835 -1.183 -7.741 1.00 0.00 C ATOM 559 OG1 THR A 39 4.454 -2.281 -8.394 1.00 0.00 O ATOM 560 CG2 THR A 39 2.405 -1.020 -8.254 1.00 0.00 C ATOM 0 H THR A 39 3.222 1.463 -8.035 1.00 0.00 H new ATOM 0 HA THR A 39 5.476 -0.147 -7.001 1.00 0.00 H new ATOM 0 HB THR A 39 3.718 -1.365 -6.673 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.861 -3.061 -8.356 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.877 -1.970 -8.169 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.890 -0.264 -7.661 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.426 -0.709 -9.299 1.00 0.00 H new ATOM 568 N GLY A 40 6.808 0.121 -9.025 1.00 0.00 N ATOM 569 CA GLY A 40 7.697 0.046 -10.173 1.00 0.00 C ATOM 570 C GLY A 40 7.809 -1.311 -10.829 1.00 0.00 C ATOM 571 O GLY A 40 8.732 -1.622 -11.571 1.00 0.00 O ATOM 0 H GLY A 40 7.304 0.070 -8.135 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.357 0.763 -10.920 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.692 0.361 -9.859 1.00 0.00 H new ATOM 575 N GLY A 41 6.894 -2.158 -10.435 1.00 0.00 N ATOM 576 CA GLY A 41 6.857 -3.565 -10.748 1.00 0.00 C ATOM 577 C GLY A 41 7.851 -4.336 -9.899 1.00 0.00 C ATOM 578 O GLY A 41 8.534 -5.219 -10.408 1.00 0.00 O ATOM 0 H GLY A 41 6.108 -1.868 -9.853 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.852 -3.952 -10.580 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.083 -3.713 -11.804 1.00 0.00 H new ATOM 582 N SER A 42 7.859 -4.014 -8.599 1.00 0.00 N ATOM 583 CA SER A 42 8.362 -4.797 -7.467 1.00 0.00 C ATOM 584 C SER A 42 9.194 -6.031 -7.834 1.00 0.00 C ATOM 585 O SER A 42 10.391 -6.109 -7.557 1.00 0.00 O ATOM 586 CB SER A 42 7.175 -5.180 -6.572 1.00 0.00 C ATOM 587 OG SER A 42 7.594 -5.315 -5.222 1.00 0.00 O ATOM 0 H SER A 42 7.480 -3.120 -8.287 1.00 0.00 H new ATOM 0 HA SER A 42 9.068 -4.156 -6.939 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.398 -4.419 -6.643 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.738 -6.116 -6.919 1.00 0.00 H new ATOM 0 HG SER A 42 6.826 -5.558 -4.664 1.00 0.00 H new ATOM 593 N THR A 43 8.536 -7.028 -8.410 1.00 0.00 N ATOM 594 CA THR A 43 9.124 -8.302 -8.757 1.00 0.00 C ATOM 595 C THR A 43 8.260 -8.870 -9.873 1.00 0.00 C ATOM 596 O THR A 43 8.733 -9.139 -10.980 1.00 0.00 O ATOM 597 CB THR A 43 9.214 -9.168 -7.482 1.00 0.00 C ATOM 598 OG1 THR A 43 9.905 -10.380 -7.701 1.00 0.00 O ATOM 599 CG2 THR A 43 7.892 -9.497 -6.781 1.00 0.00 C ATOM 0 H THR A 43 7.548 -6.964 -8.654 1.00 0.00 H new ATOM 0 HA THR A 43 10.147 -8.243 -9.128 1.00 0.00 H new ATOM 0 HB THR A 43 9.768 -8.511 -6.811 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.938 -10.893 -6.867 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.089 -10.109 -5.901 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.401 -8.572 -6.477 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.243 -10.044 -7.465 1.00 0.00 H new ATOM 607 N ASP A 44 6.966 -8.993 -9.581 1.00 0.00 N ATOM 608 CA ASP A 44 6.034 -9.590 -10.502 1.00 0.00 C ATOM 609 C ASP A 44 5.479 -8.538 -11.451 1.00 0.00 C ATOM 610 O ASP A 44 5.285 -7.388 -11.059 1.00 0.00 O ATOM 611 CB ASP A 44 4.957 -10.389 -9.766 1.00 0.00 C ATOM 612 CG ASP A 44 4.947 -11.783 -10.345 1.00 0.00 C ATOM 613 OD1 ASP A 44 4.358 -11.971 -11.426 1.00 0.00 O ATOM 614 OD2 ASP A 44 5.606 -12.649 -9.732 1.00 0.00 O ATOM 0 H ASP A 44 6.549 -8.681 -8.704 1.00 0.00 H new ATOM 0 HA ASP A 44 6.559 -10.317 -11.121 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.167 -10.420 -8.697 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.982 -9.918 -9.886 1.00 0.00 H new ATOM 619 N GLY A 45 5.263 -8.935 -12.700 1.00 0.00 N ATOM 620 CA GLY A 45 4.799 -8.062 -13.771 1.00 0.00 C ATOM 621 C GLY A 45 3.288 -7.846 -13.721 1.00 0.00 C ATOM 622 O GLY A 45 2.782 -6.852 -14.237 1.00 0.00 O ATOM 0 H GLY A 45 5.410 -9.898 -13.003 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.305 -7.099 -13.699 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.072 -8.494 -14.734 1.00 0.00 H new ATOM 626 N LYS A 46 2.556 -8.789 -13.123 1.00 0.00 N ATOM 627 CA LYS A 46 1.115 -8.671 -12.922 1.00 0.00 C ATOM 628 C LYS A 46 0.811 -7.611 -11.853 1.00 0.00 C ATOM 629 O LYS A 46 1.721 -6.982 -11.323 1.00 0.00 O ATOM 630 CB LYS A 46 0.474 -10.037 -12.644 1.00 0.00 C ATOM 631 CG LYS A 46 1.184 -10.719 -11.487 1.00 0.00 C ATOM 632 CD LYS A 46 0.557 -12.068 -11.138 1.00 0.00 C ATOM 633 CE LYS A 46 1.236 -12.579 -9.864 1.00 0.00 C ATOM 634 NZ LYS A 46 0.678 -13.861 -9.408 1.00 0.00 N ATOM 0 H LYS A 46 2.951 -9.658 -12.764 1.00 0.00 H new ATOM 0 HA LYS A 46 0.652 -8.321 -13.844 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.583 -9.911 -12.409 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.530 -10.662 -13.535 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.234 -10.864 -11.742 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.155 -10.070 -10.612 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.517 -11.963 -10.984 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.693 -12.776 -11.955 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.304 -12.695 -10.046 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.126 -11.836 -9.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.169 -14.166 -8.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.336 -13.747 -9.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.806 -14.579 -10.150 1.00 0.00 H new ATOM 648 N GLN A 47 -0.462 -7.359 -11.551 1.00 0.00 N ATOM 649 CA GLN A 47 -0.827 -6.476 -10.449 1.00 0.00 C ATOM 650 C GLN A 47 -0.293 -7.026 -9.128 1.00 0.00 C ATOM 651 O GLN A 47 -0.009 -8.222 -9.047 1.00 0.00 O ATOM 652 CB GLN A 47 -2.353 -6.283 -10.410 1.00 0.00 C ATOM 653 CG GLN A 47 -3.152 -7.510 -9.947 1.00 0.00 C ATOM 654 CD GLN A 47 -4.623 -7.156 -9.744 1.00 0.00 C ATOM 655 OE1 GLN A 47 -5.175 -6.312 -10.443 1.00 0.00 O ATOM 656 NE2 GLN A 47 -5.286 -7.762 -8.773 1.00 0.00 N ATOM 0 H GLN A 47 -1.256 -7.754 -12.055 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.371 -5.498 -10.606 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.581 -5.448 -9.747 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.694 -6.001 -11.406 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.064 -8.307 -10.686 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.734 -7.891 -9.016 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.819 -8.462 -8.197 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.264 -7.529 -8.601 1.00 0.00 H new ATOM 665 N GLY A 48 -0.209 -6.202 -8.082 1.00 0.00 N ATOM 666 CA GLY A 48 0.019 -6.737 -6.741 1.00 0.00 C ATOM 667 C GLY A 48 -0.845 -5.996 -5.727 1.00 0.00 C ATOM 668 O GLY A 48 -1.219 -4.846 -5.976 1.00 0.00 O ATOM 0 H GLY A 48 -0.293 -5.187 -8.134 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.215 -7.801 -6.721 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.071 -6.637 -6.475 1.00 0.00 H new ATOM 672 N CYS A 49 -1.119 -6.568 -4.551 1.00 0.00 N ATOM 673 CA CYS A 49 -2.132 -6.065 -3.652 1.00 0.00 C ATOM 674 C CYS A 49 -1.706 -6.211 -2.207 1.00 0.00 C ATOM 675 O CYS A 49 -0.774 -6.948 -1.893 1.00 0.00 O ATOM 676 CB CYS A 49 -3.421 -6.867 -3.826 1.00 0.00 C ATOM 677 SG CYS A 49 -4.026 -7.208 -5.492 1.00 0.00 S ATOM 0 H CYS A 49 -0.635 -7.397 -4.205 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.283 -5.012 -3.889 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.282 -7.825 -3.325 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.211 -6.339 -3.291 1.00 0.00 H new ATOM 682 N ALA A 50 -2.401 -5.507 -1.321 1.00 0.00 N ATOM 683 CA ALA A 50 -2.149 -5.514 0.112 1.00 0.00 C ATOM 684 C ALA A 50 -3.460 -5.544 0.868 1.00 0.00 C ATOM 685 O ALA A 50 -4.487 -5.138 0.334 1.00 0.00 O ATOM 686 CB ALA A 50 -1.413 -4.236 0.522 1.00 0.00 C ATOM 0 H ALA A 50 -3.176 -4.900 -1.588 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.550 -6.394 0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.229 -4.251 1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.462 -4.178 -0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.023 -3.368 0.270 1.00 0.00 H new ATOM 692 N THR A 51 -3.409 -5.970 2.124 1.00 0.00 N ATOM 693 CA THR A 51 -4.445 -5.631 3.078 1.00 0.00 C ATOM 694 C THR A 51 -4.049 -4.256 3.616 1.00 0.00 C ATOM 695 O THR A 51 -2.895 -4.067 3.996 1.00 0.00 O ATOM 696 CB THR A 51 -4.491 -6.675 4.200 1.00 0.00 C ATOM 697 OG1 THR A 51 -4.752 -7.963 3.673 1.00 0.00 O ATOM 698 CG2 THR A 51 -5.598 -6.341 5.201 1.00 0.00 C ATOM 0 H THR A 51 -2.660 -6.550 2.501 1.00 0.00 H new ATOM 0 HA THR A 51 -5.439 -5.615 2.631 1.00 0.00 H new ATOM 0 HB THR A 51 -3.521 -6.664 4.697 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.776 -8.616 4.403 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.615 -7.093 5.990 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.409 -5.361 5.639 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.560 -6.331 4.689 1.00 0.00 H new ATOM 706 N ILE A 52 -4.975 -3.305 3.632 1.00 0.00 N ATOM 707 CA ILE A 52 -4.825 -2.011 4.277 1.00 0.00 C ATOM 708 C ILE A 52 -5.692 -2.046 5.538 1.00 0.00 C ATOM 709 O ILE A 52 -6.713 -2.737 5.524 1.00 0.00 O ATOM 710 CB ILE A 52 -5.288 -0.921 3.291 1.00 0.00 C ATOM 711 CG1 ILE A 52 -4.262 -0.782 2.153 1.00 0.00 C ATOM 712 CG2 ILE A 52 -5.494 0.424 3.987 1.00 0.00 C ATOM 713 CD1 ILE A 52 -4.476 0.467 1.290 1.00 0.00 C ATOM 0 H ILE A 52 -5.882 -3.420 3.180 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.794 -1.792 4.553 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.251 -1.225 2.880 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.259 -0.753 2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.313 -1.666 1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.820 1.165 3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.253 0.320 4.762 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.556 0.748 4.438 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.718 0.503 0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.466 0.430 0.835 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.396 1.358 1.913 1.00 0.00 H new ATOM 725 N TRP A 53 -5.322 -1.309 6.596 1.00 0.00 N ATOM 726 CA TRP A 53 -6.139 -1.159 7.800 1.00 0.00 C ATOM 727 C TRP A 53 -6.405 0.299 8.172 1.00 0.00 C ATOM 728 O TRP A 53 -5.604 1.190 7.863 1.00 0.00 O ATOM 729 CB TRP A 53 -5.491 -1.816 9.022 1.00 0.00 C ATOM 730 CG TRP A 53 -5.462 -3.306 9.088 1.00 0.00 C ATOM 731 CD1 TRP A 53 -6.298 -4.094 9.800 1.00 0.00 C ATOM 732 CD2 TRP A 53 -4.544 -4.207 8.423 1.00 0.00 C ATOM 733 NE1 TRP A 53 -5.940 -5.415 9.643 1.00 0.00 N ATOM 734 CE2 TRP A 53 -4.851 -5.546 8.807 1.00 0.00 C ATOM 735 CE3 TRP A 53 -3.479 -4.017 7.527 1.00 0.00 C ATOM 736 CZ2 TRP A 53 -4.114 -6.643 8.340 1.00 0.00 C ATOM 737 CZ3 TRP A 53 -2.758 -5.111 7.032 1.00 0.00 C ATOM 738 CH2 TRP A 53 -3.056 -6.419 7.450 1.00 0.00 C ATOM 0 H TRP A 53 -4.440 -0.798 6.636 1.00 0.00 H new ATOM 0 HA TRP A 53 -7.078 -1.650 7.546 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.463 -1.460 9.086 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -6.010 -1.453 9.909 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -7.123 -3.741 10.402 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.420 -6.197 10.089 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -3.213 -3.017 7.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.358 -7.645 8.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -1.963 -4.947 6.320 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.470 -7.250 7.086 1.00 0.00 H new ATOM 749 N GLU A 54 -7.504 0.489 8.911 1.00 0.00 N ATOM 750 CA GLU A 54 -7.880 1.730 9.571 1.00 0.00 C ATOM 751 C GLU A 54 -7.174 1.833 10.929 1.00 0.00 C ATOM 752 O GLU A 54 -6.872 2.930 11.406 1.00 0.00 O ATOM 753 CB GLU A 54 -9.407 1.712 9.742 1.00 0.00 C ATOM 754 CG GLU A 54 -10.001 3.030 10.257 1.00 0.00 C ATOM 755 CD GLU A 54 -11.518 3.025 10.212 1.00 0.00 C ATOM 756 OE1 GLU A 54 -12.124 1.938 10.163 1.00 0.00 O ATOM 757 OE2 GLU A 54 -12.113 4.121 10.209 1.00 0.00 O ATOM 0 H GLU A 54 -8.182 -0.257 9.068 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.581 2.596 8.981 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.865 1.471 8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.674 0.912 10.433 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.669 3.202 11.281 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.623 3.857 9.656 1.00 0.00 H new ATOM 764 N GLY A 55 -6.973 0.693 11.595 1.00 0.00 N ATOM 765 CA GLY A 55 -6.417 0.657 12.933 1.00 0.00 C ATOM 766 C GLY A 55 -4.897 0.747 12.930 1.00 0.00 C ATOM 767 O GLY A 55 -4.223 0.248 12.024 1.00 0.00 O ATOM 0 H GLY A 55 -7.194 -0.227 11.214 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.826 1.482 13.516 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.723 -0.265 13.427 1.00 0.00 H new ATOM 771 N SER A 56 -4.379 1.414 13.957 1.00 0.00 N ATOM 772 CA SER A 56 -3.043 1.966 14.020 1.00 0.00 C ATOM 773 C SER A 56 -1.974 0.896 14.267 1.00 0.00 C ATOM 774 O SER A 56 -1.576 0.652 15.405 1.00 0.00 O ATOM 775 CB SER A 56 -3.032 3.017 15.143 1.00 0.00 C ATOM 776 OG SER A 56 -4.239 3.771 15.181 1.00 0.00 O ATOM 0 H SER A 56 -4.913 1.589 14.808 1.00 0.00 H new ATOM 0 HA SER A 56 -2.795 2.416 13.059 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.884 2.521 16.102 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.188 3.691 15.000 1.00 0.00 H new ATOM 0 HG SER A 56 -4.193 4.426 15.909 1.00 0.00 H new ATOM 782 N GLY A 57 -1.497 0.252 13.212 1.00 0.00 N ATOM 783 CA GLY A 57 -0.407 -0.688 13.231 1.00 0.00 C ATOM 784 C GLY A 57 -0.613 -1.700 12.117 1.00 0.00 C ATOM 785 O GLY A 57 0.295 -1.949 11.325 1.00 0.00 O ATOM 0 H GLY A 57 -1.885 0.384 12.278 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.542 -0.168 13.098 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.361 -1.193 14.196 1.00 0.00 H new ATOM 789 N CYS A 58 -1.826 -2.256 12.097 1.00 0.00 N ATOM 790 CA CYS A 58 -2.444 -3.199 11.172 1.00 0.00 C ATOM 791 C CYS A 58 -3.611 -3.868 11.903 1.00 0.00 C ATOM 792 O CYS A 58 -3.777 -5.085 11.853 1.00 0.00 O ATOM 793 CB CYS A 58 -1.477 -4.216 10.538 1.00 0.00 C ATOM 794 SG CYS A 58 -0.812 -5.538 11.576 1.00 0.00 S ATOM 0 H CYS A 58 -2.487 -2.018 12.836 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.802 -2.642 10.306 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.991 -4.682 9.697 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.634 -3.660 10.128 1.00 0.00 H new ATOM 799 N VAL A 59 -4.426 -3.066 12.600 1.00 0.00 N ATOM 800 CA VAL A 59 -5.477 -3.526 13.492 1.00 0.00 C ATOM 801 C VAL A 59 -6.781 -2.867 13.050 1.00 0.00 C ATOM 802 O VAL A 59 -6.781 -2.084 12.103 1.00 0.00 O ATOM 803 CB VAL A 59 -5.075 -3.233 14.949 1.00 0.00 C ATOM 804 CG1 VAL A 59 -4.019 -4.235 15.430 1.00 0.00 C ATOM 805 CG2 VAL A 59 -4.560 -1.811 15.198 1.00 0.00 C ATOM 0 H VAL A 59 -4.363 -2.049 12.551 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.626 -4.605 13.443 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.999 -3.334 15.518 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.748 -4.011 16.462 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.423 -5.246 15.372 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.134 -4.162 14.798 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.301 -1.697 16.251 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.676 -1.632 14.586 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.336 -1.092 14.935 1.00 0.00 H new ATOM 815 N GLY A 60 -7.904 -3.194 13.674 1.00 0.00 N ATOM 816 CA GLY A 60 -9.163 -2.554 13.321 1.00 0.00 C ATOM 817 C GLY A 60 -9.689 -3.078 11.993 1.00 0.00 C ATOM 818 O GLY A 60 -9.506 -4.254 11.661 1.00 0.00 O ATOM 0 H GLY A 60 -7.970 -3.889 14.417 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.899 -2.735 14.104 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.022 -1.475 13.260 1.00 0.00 H new ATOM 822 N ARG A 61 -10.373 -2.204 11.258 1.00 0.00 N ATOM 823 CA ARG A 61 -10.997 -2.507 9.979 1.00 0.00 C ATOM 824 C ARG A 61 -9.908 -2.683 8.957 1.00 0.00 C ATOM 825 O ARG A 61 -8.853 -2.063 9.084 1.00 0.00 O ATOM 826 CB ARG A 61 -11.950 -1.369 9.581 1.00 0.00 C ATOM 827 CG ARG A 61 -12.607 -1.546 8.202 1.00 0.00 C ATOM 828 CD ARG A 61 -13.516 -0.349 7.925 1.00 0.00 C ATOM 829 NE ARG A 61 -14.175 -0.443 6.609 1.00 0.00 N ATOM 830 CZ ARG A 61 -15.296 0.232 6.307 1.00 0.00 C ATOM 831 NH1 ARG A 61 -15.768 1.138 7.162 1.00 0.00 N ATOM 832 NH2 ARG A 61 -15.934 0.009 5.163 1.00 0.00 N ATOM 0 H ARG A 61 -10.511 -1.236 11.548 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.584 -3.423 10.045 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.733 -1.286 10.335 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.398 -0.429 9.589 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.843 -1.625 7.429 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.184 -2.470 8.176 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.274 -0.282 8.705 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.930 0.569 7.971 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.762 -1.046 5.898 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.278 1.315 8.039 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -16.619 1.655 6.939 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.573 -0.681 4.504 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.785 0.528 4.944 1.00 0.00 H new ATOM 846 N SER A 62 -10.189 -3.495 7.941 1.00 0.00 N ATOM 847 CA SER A 62 -9.312 -3.603 6.809 1.00 0.00 C ATOM 848 C SER A 62 -10.069 -3.860 5.519 1.00 0.00 C ATOM 849 O SER A 62 -11.196 -4.355 5.540 1.00 0.00 O ATOM 850 CB SER A 62 -8.258 -4.678 7.066 1.00 0.00 C ATOM 851 OG SER A 62 -8.807 -5.789 7.756 1.00 0.00 O ATOM 0 H SER A 62 -11.021 -4.083 7.891 1.00 0.00 H new ATOM 0 HA SER A 62 -8.808 -2.645 6.681 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.836 -5.010 6.117 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.439 -4.255 7.648 1.00 0.00 H new ATOM 0 HG SER A 62 -8.108 -6.460 7.904 1.00 0.00 H new ATOM 857 N THR A 63 -9.422 -3.552 4.399 1.00 0.00 N ATOM 858 CA THR A 63 -9.888 -3.898 3.067 1.00 0.00 C ATOM 859 C THR A 63 -8.666 -4.340 2.269 1.00 0.00 C ATOM 860 O THR A 63 -7.547 -3.948 2.608 1.00 0.00 O ATOM 861 CB THR A 63 -10.614 -2.693 2.443 1.00 0.00 C ATOM 862 OG1 THR A 63 -11.444 -3.116 1.384 1.00 0.00 O ATOM 863 CG2 THR A 63 -9.661 -1.613 1.921 1.00 0.00 C ATOM 0 H THR A 63 -8.538 -3.043 4.396 1.00 0.00 H new ATOM 0 HA THR A 63 -10.612 -4.712 3.080 1.00 0.00 H new ATOM 0 HB THR A 63 -11.205 -2.251 3.245 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.901 -2.340 0.997 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.239 -0.793 1.494 1.00 0.00 H new ATOM 0 HG22 THR A 63 -9.051 -1.238 2.743 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.014 -2.039 1.154 1.00 0.00 H new ATOM 871 N THR A 64 -8.853 -5.151 1.231 1.00 0.00 N ATOM 872 CA THR A 64 -7.774 -5.473 0.316 1.00 0.00 C ATOM 873 C THR A 64 -7.696 -4.349 -0.718 1.00 0.00 C ATOM 874 O THR A 64 -8.696 -4.064 -1.378 1.00 0.00 O ATOM 875 CB THR A 64 -8.011 -6.856 -0.303 1.00 0.00 C ATOM 876 OG1 THR A 64 -8.444 -7.750 0.708 1.00 0.00 O ATOM 877 CG2 THR A 64 -6.726 -7.392 -0.939 1.00 0.00 C ATOM 0 H THR A 64 -9.744 -5.595 1.007 1.00 0.00 H new ATOM 0 HA THR A 64 -6.813 -5.536 0.826 1.00 0.00 H new ATOM 0 HB THR A 64 -8.772 -6.769 -1.078 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.599 -8.635 0.317 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.917 -8.374 -1.372 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.395 -6.709 -1.721 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.951 -7.476 -0.178 1.00 0.00 H new ATOM 885 N MET A 65 -6.551 -3.680 -0.827 1.00 0.00 N ATOM 886 CA MET A 65 -6.276 -2.676 -1.844 1.00 0.00 C ATOM 887 C MET A 65 -5.362 -3.306 -2.888 1.00 0.00 C ATOM 888 O MET A 65 -4.247 -3.708 -2.550 1.00 0.00 O ATOM 889 CB MET A 65 -5.604 -1.463 -1.191 1.00 0.00 C ATOM 890 CG MET A 65 -5.289 -0.346 -2.201 1.00 0.00 C ATOM 891 SD MET A 65 -6.665 0.246 -3.216 1.00 0.00 S ATOM 892 CE MET A 65 -7.815 0.772 -1.927 1.00 0.00 C ATOM 0 H MET A 65 -5.768 -3.828 -0.190 1.00 0.00 H new ATOM 0 HA MET A 65 -7.196 -2.338 -2.321 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.254 -1.069 -0.410 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.681 -1.781 -0.707 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.881 0.503 -1.653 1.00 0.00 H new ATOM 0 HG3 MET A 65 -4.503 -0.702 -2.868 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.666 1.278 -2.383 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.165 -0.100 -1.373 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.309 1.456 -1.245 1.00 0.00 H new ATOM 902 N CYS A 66 -5.811 -3.389 -4.137 1.00 0.00 N ATOM 903 CA CYS A 66 -5.028 -3.917 -5.249 1.00 0.00 C ATOM 904 C CYS A 66 -4.641 -2.768 -6.167 1.00 0.00 C ATOM 905 O CYS A 66 -5.360 -1.772 -6.232 1.00 0.00 O ATOM 906 CB CYS A 66 -5.860 -4.902 -6.076 1.00 0.00 C ATOM 907 SG CYS A 66 -6.006 -6.577 -5.434 1.00 0.00 S ATOM 0 H CYS A 66 -6.746 -3.086 -4.409 1.00 0.00 H new ATOM 0 HA CYS A 66 -4.151 -4.421 -4.844 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.864 -4.491 -6.185 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.428 -4.957 -7.075 1.00 0.00 H new ATOM 912 N CYS A 67 -3.526 -2.905 -6.886 1.00 0.00 N ATOM 913 CA CYS A 67 -3.119 -1.971 -7.929 1.00 0.00 C ATOM 914 C CYS A 67 -2.276 -2.704 -8.978 1.00 0.00 C ATOM 915 O CYS A 67 -1.515 -3.596 -8.583 1.00 0.00 O ATOM 916 CB CYS A 67 -2.276 -0.881 -7.284 1.00 0.00 C ATOM 917 SG CYS A 67 -2.112 0.590 -8.311 1.00 0.00 S ATOM 0 H CYS A 67 -2.874 -3.679 -6.756 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.997 -1.543 -8.413 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.723 -0.602 -6.330 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -1.284 -1.278 -7.068 1.00 0.00 H new ATOM 922 N PRO A 68 -2.383 -2.389 -10.282 1.00 0.00 N ATOM 923 CA PRO A 68 -1.461 -2.879 -11.300 1.00 0.00 C ATOM 924 C PRO A 68 -0.006 -2.599 -10.926 1.00 0.00 C ATOM 925 O PRO A 68 0.271 -1.838 -10.006 1.00 0.00 O ATOM 926 CB PRO A 68 -1.839 -2.172 -12.605 1.00 0.00 C ATOM 927 CG PRO A 68 -3.300 -1.792 -12.385 1.00 0.00 C ATOM 928 CD PRO A 68 -3.340 -1.484 -10.891 1.00 0.00 C ATOM 0 HA PRO A 68 -1.542 -3.961 -11.400 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.217 -1.295 -12.782 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.719 -2.828 -13.468 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.590 -0.929 -12.985 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.975 -2.606 -12.650 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.075 -0.445 -10.698 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.340 -1.639 -10.485 1.00 0.00 H new ATOM 936 N ALA A 69 0.928 -3.211 -11.649 1.00 0.00 N ATOM 937 CA ALA A 69 2.343 -2.881 -11.550 1.00 0.00 C ATOM 938 C ALA A 69 2.645 -1.706 -12.474 1.00 0.00 C ATOM 939 O ALA A 69 1.845 -1.395 -13.351 1.00 0.00 O ATOM 940 CB ALA A 69 3.202 -4.088 -11.933 1.00 0.00 C ATOM 0 H ALA A 69 0.723 -3.951 -12.321 1.00 0.00 H new ATOM 0 HA ALA A 69 2.579 -2.608 -10.521 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.257 -3.824 -11.854 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.984 -4.918 -11.261 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.978 -4.383 -12.958 1.00 0.00 H new ATOM 946 N ASN A 70 3.823 -1.098 -12.310 1.00 0.00 N ATOM 947 CA ASN A 70 4.302 -0.012 -13.164 1.00 0.00 C ATOM 948 C ASN A 70 3.284 1.124 -13.150 1.00 0.00 C ATOM 949 O ASN A 70 2.882 1.627 -14.197 1.00 0.00 O ATOM 950 CB ASN A 70 4.609 -0.500 -14.595 1.00 0.00 C ATOM 951 CG ASN A 70 5.980 -1.145 -14.722 1.00 0.00 C ATOM 952 OD1 ASN A 70 6.785 -0.748 -15.559 1.00 0.00 O ATOM 953 ND2 ASN A 70 6.284 -2.152 -13.906 1.00 0.00 N ATOM 0 H ASN A 70 4.478 -1.351 -11.570 1.00 0.00 H new ATOM 0 HA ASN A 70 5.246 0.361 -12.767 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.847 -1.217 -14.900 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.546 0.344 -15.282 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.196 -2.604 -13.972 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.605 -2.471 -13.215 1.00 0.00 H new ATOM 960 N THR A 71 2.818 1.509 -11.964 1.00 0.00 N ATOM 961 CA THR A 71 1.856 2.582 -11.827 1.00 0.00 C ATOM 962 C THR A 71 1.917 3.212 -10.438 1.00 0.00 C ATOM 963 O THR A 71 2.593 2.720 -9.527 1.00 0.00 O ATOM 964 CB THR A 71 0.460 2.054 -12.181 1.00 0.00 C ATOM 965 OG1 THR A 71 -0.424 3.126 -12.445 1.00 0.00 O ATOM 966 CG2 THR A 71 -0.116 1.202 -11.055 1.00 0.00 C ATOM 0 H THR A 71 3.099 1.084 -11.080 1.00 0.00 H new ATOM 0 HA THR A 71 2.101 3.384 -12.524 1.00 0.00 H new ATOM 0 HB THR A 71 0.566 1.435 -13.072 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.309 2.772 -12.671 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.106 0.844 -11.339 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.539 0.350 -10.872 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.194 1.802 -10.148 1.00 0.00 H new ATOM 974 N CYS A 72 1.160 4.295 -10.305 1.00 0.00 N ATOM 975 CA CYS A 72 0.908 5.092 -9.119 1.00 0.00 C ATOM 976 C CYS A 72 -0.533 4.847 -8.686 1.00 0.00 C ATOM 977 O CYS A 72 -1.387 4.605 -9.534 1.00 0.00 O ATOM 978 CB CYS A 72 1.118 6.557 -9.495 1.00 0.00 C ATOM 979 SG CYS A 72 0.177 7.722 -8.516 1.00 0.00 S ATOM 0 H CYS A 72 0.658 4.671 -11.110 1.00 0.00 H new ATOM 0 HA CYS A 72 1.576 4.829 -8.298 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.177 6.794 -9.399 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.856 6.690 -10.545 1.00 0.00 H new ATOM 984 N CYS A 73 -0.793 4.825 -7.379 1.00 0.00 N ATOM 985 CA CYS A 73 -1.986 4.258 -6.788 1.00 0.00 C ATOM 986 C CYS A 73 -2.405 5.154 -5.623 1.00 0.00 C ATOM 987 O CYS A 73 -1.849 5.066 -4.529 1.00 0.00 O ATOM 988 CB CYS A 73 -1.652 2.860 -6.252 1.00 0.00 C ATOM 989 SG CYS A 73 -0.700 1.725 -7.287 1.00 0.00 S ATOM 0 H CYS A 73 -0.153 5.216 -6.688 1.00 0.00 H new ATOM 0 HA CYS A 73 -2.788 4.188 -7.523 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -1.106 2.988 -5.317 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.594 2.369 -6.006 1.00 0.00 H new ATOM 994 N ASN A 74 -3.376 6.037 -5.832 1.00 0.00 N ATOM 995 CA ASN A 74 -3.954 6.866 -4.780 1.00 0.00 C ATOM 996 C ASN A 74 -4.579 5.989 -3.702 1.00 0.00 C ATOM 997 O ASN A 74 -5.659 5.442 -3.922 1.00 0.00 O ATOM 998 CB ASN A 74 -5.056 7.733 -5.406 1.00 0.00 C ATOM 999 CG ASN A 74 -5.932 8.463 -4.398 1.00 0.00 C ATOM 1000 OD1 ASN A 74 -7.154 8.481 -4.547 1.00 0.00 O ATOM 1001 ND2 ASN A 74 -5.345 9.085 -3.387 1.00 0.00 N ATOM 0 H ASN A 74 -3.790 6.199 -6.750 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.175 7.483 -4.331 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.593 8.467 -6.065 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.689 7.101 -6.028 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.908 9.596 -2.707 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.330 9.053 -3.289 1.00 0.00 H new ATOM 1008 N ILE A 75 -3.949 5.852 -2.541 1.00 0.00 N ATOM 1009 CA ILE A 75 -4.597 5.316 -1.368 1.00 0.00 C ATOM 1010 C ILE A 75 -5.533 6.408 -0.855 1.00 0.00 C ATOM 1011 O ILE A 75 -5.107 7.521 -0.550 1.00 0.00 O ATOM 1012 CB ILE A 75 -3.531 4.896 -0.343 1.00 0.00 C ATOM 1013 CG1 ILE A 75 -3.085 3.454 -0.589 1.00 0.00 C ATOM 1014 CG2 ILE A 75 -4.037 4.966 1.095 1.00 0.00 C ATOM 1015 CD1 ILE A 75 -2.388 3.284 -1.926 1.00 0.00 C ATOM 0 H ILE A 75 -2.974 6.112 -2.395 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.181 4.420 -1.577 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.707 5.597 -0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.412 3.143 0.210 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.953 2.796 -0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.243 4.659 1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.337 5.988 1.326 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.893 4.301 1.212 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.091 2.243 -2.052 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.068 3.567 -2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.503 3.920 -1.958 1.00 0.00 H new ATOM 1027 N ASN A 76 -6.818 6.092 -0.767 1.00 0.00 N ATOM 1028 CA ASN A 76 -7.811 6.942 -0.138 1.00 0.00 C ATOM 1029 C ASN A 76 -9.066 6.105 0.020 1.00 0.00 C ATOM 1030 O ASN A 76 -9.985 6.192 -0.792 1.00 0.00 O ATOM 1031 CB ASN A 76 -8.077 8.205 -0.965 1.00 0.00 C ATOM 1032 CG ASN A 76 -9.180 9.060 -0.351 1.00 0.00 C ATOM 1033 OD1 ASN A 76 -9.597 8.857 0.788 1.00 0.00 O ATOM 1034 ND2 ASN A 76 -9.659 10.050 -1.088 1.00 0.00 N ATOM 0 H ASN A 76 -7.202 5.223 -1.138 1.00 0.00 H new ATOM 0 HA ASN A 76 -7.458 7.292 0.832 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.161 8.791 -1.039 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -8.358 7.923 -1.980 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -10.386 10.659 -0.713 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.301 10.203 -2.031 1.00 0.00 H new ATOM 1041 N THR A 77 -9.083 5.255 1.038 1.00 0.00 N ATOM 1042 CA THR A 77 -10.243 4.459 1.368 1.00 0.00 C ATOM 1043 C THR A 77 -11.279 5.393 2.000 1.00 0.00 C ATOM 1044 O THR A 77 -10.966 6.528 2.357 1.00 0.00 O ATOM 1045 CB THR A 77 -9.774 3.368 2.346 1.00 0.00 C ATOM 1046 OG1 THR A 77 -8.791 3.904 3.212 1.00 0.00 O ATOM 1047 CG2 THR A 77 -9.108 2.214 1.590 1.00 0.00 C ATOM 0 H THR A 77 -8.286 5.102 1.656 1.00 0.00 H new ATOM 0 HA THR A 77 -10.699 3.981 0.501 1.00 0.00 H new ATOM 0 HB THR A 77 -10.647 3.014 2.894 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.193 4.601 3.772 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.784 1.453 2.300 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.821 1.777 0.891 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.245 2.589 1.041 1.00 0.00 H new ATOM 1055 N GLY A 78 -12.519 4.932 2.139 1.00 0.00 N ATOM 1056 CA GLY A 78 -13.553 5.731 2.776 1.00 0.00 C ATOM 1057 C GLY A 78 -13.146 6.076 4.209 1.00 0.00 C ATOM 1058 O GLY A 78 -13.422 7.175 4.694 1.00 0.00 O ATOM 0 H GLY A 78 -12.828 4.014 1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.718 6.646 2.207 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.495 5.183 2.780 1.00 0.00 H new ATOM 1062 N PHE A 79 -12.490 5.136 4.892 1.00 0.00 N ATOM 1063 CA PHE A 79 -11.837 5.381 6.168 1.00 0.00 C ATOM 1064 C PHE A 79 -10.484 6.014 5.965 1.00 0.00 C ATOM 1065 O PHE A 79 -9.874 5.889 4.901 1.00 0.00 O ATOM 1066 CB PHE A 79 -11.672 4.083 6.959 1.00 0.00 C ATOM 1067 CG PHE A 79 -11.084 2.912 6.194 1.00 0.00 C ATOM 1068 CD1 PHE A 79 -11.926 2.016 5.509 1.00 0.00 C ATOM 1069 CD2 PHE A 79 -9.698 2.677 6.229 1.00 0.00 C ATOM 1070 CE1 PHE A 79 -11.391 0.856 4.923 1.00 0.00 C ATOM 1071 CE2 PHE A 79 -9.166 1.513 5.655 1.00 0.00 C ATOM 1072 CZ PHE A 79 -10.014 0.590 5.022 1.00 0.00 C ATOM 0 H PHE A 79 -12.399 4.174 4.566 1.00 0.00 H new ATOM 0 HA PHE A 79 -12.472 6.063 6.733 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.037 4.284 7.822 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -12.648 3.788 7.343 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.984 2.220 5.434 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -9.042 3.394 6.699 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -12.037 0.169 4.397 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.103 1.326 5.700 1.00 0.00 H new ATOM 0 HZ PHE A 79 -9.609 -0.323 4.612 1.00 0.00 H new ATOM 1082 N TYR A 80 -10.009 6.669 7.019 1.00 0.00 N ATOM 1083 CA TYR A 80 -8.663 7.167 7.031 1.00 0.00 C ATOM 1084 C TYR A 80 -7.722 5.983 7.210 1.00 0.00 C ATOM 1085 O TYR A 80 -7.937 5.123 8.060 1.00 0.00 O ATOM 1086 CB TYR A 80 -8.450 8.199 8.137 1.00 0.00 C ATOM 1087 CG TYR A 80 -7.012 8.679 8.214 1.00 0.00 C ATOM 1088 CD1 TYR A 80 -6.371 9.161 7.058 1.00 0.00 C ATOM 1089 CD2 TYR A 80 -6.258 8.455 9.380 1.00 0.00 C ATOM 1090 CE1 TYR A 80 -4.987 9.388 7.061 1.00 0.00 C ATOM 1091 CE2 TYR A 80 -4.872 8.685 9.380 1.00 0.00 C ATOM 1092 CZ TYR A 80 -4.229 9.087 8.201 1.00 0.00 C ATOM 1093 OH TYR A 80 -2.894 9.363 8.200 1.00 0.00 O ATOM 0 H TYR A 80 -10.543 6.860 7.867 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.459 7.675 6.088 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.106 9.052 7.965 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.737 7.765 9.095 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.947 9.357 6.165 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.746 8.105 10.278 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -4.505 9.795 6.184 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -4.302 8.552 10.288 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.505 9.100 9.060 1.00 0.00 H new ATOM 1103 N ILE A 81 -6.675 5.952 6.404 1.00 0.00 N ATOM 1104 CA ILE A 81 -5.719 4.869 6.374 1.00 0.00 C ATOM 1105 C ILE A 81 -4.755 5.011 7.537 1.00 0.00 C ATOM 1106 O ILE A 81 -4.309 6.123 7.818 1.00 0.00 O ATOM 1107 CB ILE A 81 -4.928 4.865 5.053 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -4.951 6.184 4.256 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -5.366 3.660 4.230 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -6.221 6.398 3.412 1.00 0.00 C ATOM 0 H ILE A 81 -6.465 6.697 5.740 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.264 3.929 6.453 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.873 4.778 5.311 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.848 7.016 4.952 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.083 6.211 3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -4.815 3.642 3.290 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.163 2.746 4.787 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.434 3.729 4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.152 7.350 2.885 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.317 5.589 2.688 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.094 6.407 4.064 1.00 0.00 H new ATOM 1122 N ARG A 82 -4.378 3.896 8.164 1.00 0.00 N ATOM 1123 CA ARG A 82 -3.282 3.902 9.119 1.00 0.00 C ATOM 1124 C ARG A 82 -2.240 2.829 8.873 1.00 0.00 C ATOM 1125 O ARG A 82 -1.123 3.017 9.336 1.00 0.00 O ATOM 1126 CB ARG A 82 -3.785 3.824 10.555 1.00 0.00 C ATOM 1127 CG ARG A 82 -4.570 5.091 10.891 1.00 0.00 C ATOM 1128 CD ARG A 82 -4.680 5.238 12.405 1.00 0.00 C ATOM 1129 NE ARG A 82 -5.174 6.573 12.752 1.00 0.00 N ATOM 1130 CZ ARG A 82 -6.461 6.942 12.768 1.00 0.00 C ATOM 1131 NH1 ARG A 82 -7.416 6.068 12.445 1.00 0.00 N ATOM 1132 NH2 ARG A 82 -6.775 8.200 13.064 1.00 0.00 N ATOM 0 H ARG A 82 -4.816 2.985 8.025 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.784 4.859 8.964 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.419 2.947 10.682 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.945 3.712 11.240 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.072 5.963 10.466 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -5.564 5.043 10.447 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.353 4.479 12.803 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -3.706 5.072 12.865 1.00 0.00 H new ATOM 0 HE ARG A 82 -4.481 7.279 13.002 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.167 5.114 12.184 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.395 6.354 12.459 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -6.039 8.873 13.276 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -7.752 8.492 13.079 1.00 0.00 H new ATOM 1146 N SER A 83 -2.542 1.722 8.194 1.00 0.00 N ATOM 1147 CA SER A 83 -1.529 0.678 8.044 1.00 0.00 C ATOM 1148 C SER A 83 -1.710 -0.107 6.751 1.00 0.00 C ATOM 1149 O SER A 83 -2.777 -0.016 6.140 1.00 0.00 O ATOM 1150 CB SER A 83 -1.604 -0.269 9.242 1.00 0.00 C ATOM 1151 OG SER A 83 -1.943 0.387 10.460 1.00 0.00 O ATOM 0 H SER A 83 -3.442 1.528 7.755 1.00 0.00 H new ATOM 0 HA SER A 83 -0.551 1.156 8.001 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.342 -1.044 9.038 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.643 -0.768 9.362 1.00 0.00 H new ATOM 0 HG SER A 83 -2.851 0.132 10.727 1.00 0.00 H new ATOM 1157 N TYR A 84 -0.711 -0.894 6.340 1.00 0.00 N ATOM 1158 CA TYR A 84 -0.865 -1.860 5.260 1.00 0.00 C ATOM 1159 C TYR A 84 0.178 -2.968 5.337 1.00 0.00 C ATOM 1160 O TYR A 84 1.226 -2.792 5.952 1.00 0.00 O ATOM 1161 CB TYR A 84 -0.847 -1.201 3.873 1.00 0.00 C ATOM 1162 CG TYR A 84 0.522 -0.906 3.287 1.00 0.00 C ATOM 1163 CD1 TYR A 84 1.316 0.101 3.854 1.00 0.00 C ATOM 1164 CD2 TYR A 84 0.980 -1.586 2.140 1.00 0.00 C ATOM 1165 CE1 TYR A 84 2.544 0.450 3.267 1.00 0.00 C ATOM 1166 CE2 TYR A 84 2.195 -1.215 1.536 1.00 0.00 C ATOM 1167 CZ TYR A 84 2.974 -0.189 2.097 1.00 0.00 C ATOM 1168 OH TYR A 84 4.099 0.255 1.475 1.00 0.00 O ATOM 0 H TYR A 84 0.223 -0.876 6.749 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.849 -2.308 5.397 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.384 -1.848 3.180 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -1.403 -0.265 3.931 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.982 0.611 4.746 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.396 -2.394 1.724 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.159 1.214 3.720 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.529 -1.719 0.641 1.00 0.00 H new ATOM 0 HH TYR A 84 4.269 -0.290 0.678 1.00 0.00 H new ATOM 1178 N ARG A 85 -0.140 -4.104 4.717 1.00 0.00 N ATOM 1179 CA ARG A 85 0.693 -5.284 4.622 1.00 0.00 C ATOM 1180 C ARG A 85 0.432 -5.951 3.274 1.00 0.00 C ATOM 1181 O ARG A 85 -0.720 -6.259 2.967 1.00 0.00 O ATOM 1182 CB ARG A 85 0.221 -6.182 5.752 1.00 0.00 C ATOM 1183 CG ARG A 85 1.094 -7.382 6.070 1.00 0.00 C ATOM 1184 CD ARG A 85 0.630 -7.779 7.471 1.00 0.00 C ATOM 1185 NE ARG A 85 1.513 -8.768 8.102 1.00 0.00 N ATOM 1186 CZ ARG A 85 1.761 -8.843 9.418 1.00 0.00 C ATOM 1187 NH1 ARG A 85 0.900 -8.304 10.278 1.00 0.00 N ATOM 1188 NH2 ARG A 85 2.867 -9.456 9.835 1.00 0.00 N ATOM 0 H ARG A 85 -1.036 -4.224 4.245 1.00 0.00 H new ATOM 0 HA ARG A 85 1.759 -5.069 4.696 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.130 -5.577 6.654 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.778 -6.542 5.508 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.948 -8.189 5.352 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.154 -7.127 6.052 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.581 -6.889 8.099 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.380 -8.184 7.413 1.00 0.00 H new ATOM 0 HE ARG A 85 1.971 -9.448 7.495 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.060 -7.839 9.934 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.080 -8.356 11.281 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.512 -9.861 9.157 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.069 -9.521 10.833 1.00 0.00 H new ATOM 1202 N ARG A 86 1.465 -6.169 2.462 1.00 0.00 N ATOM 1203 CA ARG A 86 1.298 -6.798 1.156 1.00 0.00 C ATOM 1204 C ARG A 86 0.684 -8.194 1.298 1.00 0.00 C ATOM 1205 O ARG A 86 0.876 -8.847 2.328 1.00 0.00 O ATOM 1206 CB ARG A 86 2.646 -6.903 0.434 1.00 0.00 C ATOM 1207 CG ARG A 86 2.507 -6.702 -1.075 1.00 0.00 C ATOM 1208 CD ARG A 86 2.585 -5.213 -1.432 1.00 0.00 C ATOM 1209 NE ARG A 86 1.331 -4.664 -1.962 1.00 0.00 N ATOM 1210 CZ ARG A 86 1.030 -4.711 -3.264 1.00 0.00 C ATOM 1211 NH1 ARG A 86 1.627 -5.618 -4.033 1.00 0.00 N ATOM 1212 NH2 ARG A 86 0.174 -3.833 -3.789 1.00 0.00 N ATOM 0 H ARG A 86 2.428 -5.918 2.687 1.00 0.00 H new ATOM 0 HA ARG A 86 0.624 -6.174 0.569 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.332 -6.158 0.837 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.087 -7.880 0.630 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.295 -7.247 -1.594 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.557 -7.114 -1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.870 -4.650 -0.543 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.375 -5.067 -2.169 1.00 0.00 H new ATOM 0 HE ARG A 86 0.669 -4.233 -1.317 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.304 -6.265 -3.627 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.408 -5.667 -5.028 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.254 -3.122 -3.197 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.052 -3.873 -4.783 1.00 0.00 H new ATOM 1226 N VAL A 87 -0.011 -8.665 0.259 1.00 0.00 N ATOM 1227 CA VAL A 87 -0.486 -10.039 0.171 1.00 0.00 C ATOM 1228 C VAL A 87 0.003 -10.704 -1.120 1.00 0.00 C ATOM 1229 O VAL A 87 0.381 -11.879 -1.077 1.00 0.00 O ATOM 1230 CB VAL A 87 -2.007 -10.141 0.400 1.00 0.00 C ATOM 1231 CG1 VAL A 87 -2.382 -9.612 1.790 1.00 0.00 C ATOM 1232 CG2 VAL A 87 -2.849 -9.404 -0.645 1.00 0.00 C ATOM 0 H VAL A 87 -0.259 -8.094 -0.549 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.046 -10.611 0.988 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.236 -11.203 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -3.460 -9.693 1.932 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.871 -10.199 2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.082 -8.567 1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.907 -9.525 -0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.595 -8.344 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.646 -9.817 -1.633 1.00 0.00 H new ATOM 1242 N GLU A 88 0.058 -9.972 -2.237 1.00 0.00 N ATOM 1243 CA GLU A 88 0.640 -10.452 -3.478 1.00 0.00 C ATOM 1244 C GLU A 88 1.519 -9.344 -4.067 1.00 0.00 C ATOM 1245 CB GLU A 88 -0.457 -10.917 -4.456 1.00 0.00 C ATOM 1246 CG GLU A 88 -1.604 -9.925 -4.675 1.00 0.00 C ATOM 1247 CD GLU A 88 -2.654 -10.438 -5.637 1.00 0.00 C ATOM 1248 OE1 GLU A 88 -3.341 -11.429 -5.322 1.00 0.00 O ATOM 1249 OE2 GLU A 88 -2.794 -9.846 -6.725 1.00 0.00 O ATOM 0 H GLU A 88 -0.306 -9.021 -2.298 1.00 0.00 H new ATOM 0 HA GLU A 88 1.265 -11.324 -3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.005 -11.130 -5.420 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.875 -11.854 -4.088 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.074 -9.704 -3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.198 -8.987 -5.055 1.00 0.00 H new TER 1256 GLU A 88