USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 485 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 61 THR OG1 : rot 163:sc= -0.0227 USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -2.48! USER MOD Single : A 1 MET CE :methyl -174:sc= -2.1 (180deg=-2.22) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.0426 K(o=-0.043,f=0.97) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.19 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot -54:sc= 1.18 USER MOD Single : A 24 LYS NZ :NH3+ -106:sc= -1.2 (180deg=-4.19!) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.946! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -21:sc= 0.117 USER MOD Single : A 37 THR OG1 : rot 42:sc= 0.00503 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -147:sc= 0.2 (180deg=0.0103) USER MOD Single : A 51 SER OG : rot 180:sc= -0.148 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -5.5! C(o=-5.5!,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.578 12.380 -3.210 1.00 0.00 N ATOM 2 CA MET A 1 10.663 11.570 -2.355 1.00 0.00 C ATOM 3 C MET A 1 9.796 10.659 -3.228 1.00 0.00 C ATOM 4 O MET A 1 8.880 11.106 -3.888 1.00 0.00 O ATOM 5 CB MET A 1 9.797 12.594 -1.622 1.00 0.00 C ATOM 6 CG MET A 1 10.579 13.170 -0.439 1.00 0.00 C ATOM 7 SD MET A 1 9.420 13.764 0.818 1.00 0.00 S ATOM 8 CE MET A 1 8.955 12.144 1.479 1.00 0.00 C ATOM 0 H1 MET A 1 12.162 12.995 -2.608 1.00 0.00 H new ATOM 0 H2 MET A 1 12.194 11.746 -3.758 1.00 0.00 H new ATOM 0 H3 MET A 1 11.017 12.965 -3.861 1.00 0.00 H new ATOM 0 HA MET A 1 11.205 10.926 -1.663 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.506 13.394 -2.303 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.878 12.124 -1.270 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.232 12.407 -0.015 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.218 13.987 -0.775 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.155 12.265 2.209 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.611 11.504 0.666 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.819 11.686 1.960 1.00 0.00 H new ATOM 20 N LYS A 2 10.077 9.384 -3.237 1.00 0.00 N ATOM 21 CA LYS A 2 9.267 8.448 -4.069 1.00 0.00 C ATOM 22 C LYS A 2 8.766 7.277 -3.220 1.00 0.00 C ATOM 23 O LYS A 2 9.168 7.100 -2.087 1.00 0.00 O ATOM 24 CB LYS A 2 10.226 7.951 -5.152 1.00 0.00 C ATOM 25 CG LYS A 2 10.688 9.132 -6.008 1.00 0.00 C ATOM 26 CD LYS A 2 12.097 8.859 -6.537 1.00 0.00 C ATOM 27 CE LYS A 2 13.084 9.834 -5.889 1.00 0.00 C ATOM 28 NZ LYS A 2 14.423 9.211 -6.082 1.00 0.00 N ATOM 0 H LYS A 2 10.831 8.950 -2.705 1.00 0.00 H new ATOM 0 HA LYS A 2 8.386 8.931 -4.492 1.00 0.00 H new ATOM 0 HB2 LYS A 2 11.086 7.462 -4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.731 7.207 -5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.999 9.284 -6.839 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.681 10.048 -5.417 1.00 0.00 H new ATOM 0 HD2 LYS A 2 12.387 7.832 -6.317 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.118 8.971 -7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.034 10.816 -6.359 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.863 9.975 -4.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 15.154 9.822 -5.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 14.443 8.280 -5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 14.609 9.096 -7.099 1.00 0.00 H new ATOM 42 N CYS A 3 7.887 6.476 -3.760 1.00 0.00 N ATOM 43 CA CYS A 3 7.356 5.315 -2.989 1.00 0.00 C ATOM 44 C CYS A 3 7.512 4.030 -3.806 1.00 0.00 C ATOM 45 O CYS A 3 6.929 3.878 -4.860 1.00 0.00 O ATOM 46 CB CYS A 3 5.878 5.637 -2.763 1.00 0.00 C ATOM 47 SG CYS A 3 5.175 4.472 -1.570 1.00 0.00 S ATOM 0 H CYS A 3 7.513 6.576 -4.704 1.00 0.00 H new ATOM 0 HA CYS A 3 7.885 5.159 -2.049 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.770 6.658 -2.396 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.335 5.579 -3.706 1.00 0.00 H new ATOM 52 N LYS A 4 8.303 3.108 -3.330 1.00 0.00 N ATOM 53 CA LYS A 4 8.504 1.835 -4.081 1.00 0.00 C ATOM 54 C LYS A 4 7.370 0.851 -3.783 1.00 0.00 C ATOM 55 O LYS A 4 6.891 0.759 -2.670 1.00 0.00 O ATOM 56 CB LYS A 4 9.837 1.284 -3.576 1.00 0.00 C ATOM 57 CG LYS A 4 10.271 0.109 -4.454 1.00 0.00 C ATOM 58 CD LYS A 4 11.726 0.301 -4.882 1.00 0.00 C ATOM 59 CE LYS A 4 11.775 0.721 -6.353 1.00 0.00 C ATOM 60 NZ LYS A 4 12.361 -0.449 -7.065 1.00 0.00 N ATOM 0 H LYS A 4 8.819 3.180 -2.453 1.00 0.00 H new ATOM 0 HA LYS A 4 8.508 1.992 -5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.596 2.066 -3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.739 0.960 -2.540 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.163 -0.827 -3.906 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.629 0.041 -5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 4 12.202 1.059 -4.260 1.00 0.00 H new ATOM 0 HD3 LYS A 4 12.283 -0.625 -4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.780 0.956 -6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 4 12.386 1.613 -6.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.428 -0.239 -8.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 13.311 -0.644 -6.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.754 -1.282 -6.923 1.00 0.00 H new ATOM 74 N ILE A 5 6.941 0.113 -4.770 1.00 0.00 N ATOM 75 CA ILE A 5 5.841 -0.869 -4.545 1.00 0.00 C ATOM 76 C ILE A 5 6.221 -2.229 -5.134 1.00 0.00 C ATOM 77 O ILE A 5 6.591 -2.338 -6.287 1.00 0.00 O ATOM 78 CB ILE A 5 4.633 -0.286 -5.278 1.00 0.00 C ATOM 79 CG1 ILE A 5 4.279 1.074 -4.670 1.00 0.00 C ATOM 80 CG2 ILE A 5 3.441 -1.234 -5.132 1.00 0.00 C ATOM 81 CD1 ILE A 5 4.738 2.188 -5.611 1.00 0.00 C ATOM 0 H ILE A 5 7.304 0.147 -5.723 1.00 0.00 H new ATOM 0 HA ILE A 5 5.637 -1.026 -3.486 1.00 0.00 H new ATOM 0 HB ILE A 5 4.872 -0.163 -6.334 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.204 1.142 -4.506 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.758 1.185 -3.697 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.579 -0.818 -5.655 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.693 -2.204 -5.561 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.200 -1.356 -4.076 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.486 3.156 -5.179 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.817 2.123 -5.752 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.239 2.080 -6.574 1.00 0.00 H new ATOM 93 N CYS A 6 6.137 -3.268 -4.348 1.00 0.00 N ATOM 94 CA CYS A 6 6.497 -4.621 -4.862 1.00 0.00 C ATOM 95 C CYS A 6 5.259 -5.522 -4.912 1.00 0.00 C ATOM 96 O CYS A 6 4.546 -5.557 -5.894 1.00 0.00 O ATOM 97 CB CYS A 6 7.521 -5.159 -3.862 1.00 0.00 C ATOM 98 SG CYS A 6 9.190 -4.919 -4.518 1.00 0.00 S ATOM 0 H CYS A 6 5.835 -3.239 -3.374 1.00 0.00 H new ATOM 0 HA CYS A 6 6.896 -4.587 -5.876 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.417 -4.645 -2.907 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.341 -6.218 -3.675 1.00 0.00 H new ATOM 103 N ASN A 7 4.997 -6.252 -3.861 1.00 0.00 N ATOM 104 CA ASN A 7 3.805 -7.150 -3.855 1.00 0.00 C ATOM 105 C ASN A 7 3.543 -7.676 -2.441 1.00 0.00 C ATOM 106 O ASN A 7 3.867 -7.035 -1.461 1.00 0.00 O ATOM 107 CB ASN A 7 4.169 -8.299 -4.796 1.00 0.00 C ATOM 108 CG ASN A 7 3.080 -8.459 -5.858 1.00 0.00 C ATOM 109 OD1 ASN A 7 2.699 -7.502 -6.504 1.00 0.00 O ATOM 110 ND2 ASN A 7 2.559 -9.637 -6.068 1.00 0.00 N ATOM 0 H ASN A 7 5.556 -6.266 -3.008 1.00 0.00 H new ATOM 0 HA ASN A 7 2.899 -6.634 -4.173 1.00 0.00 H new ATOM 0 HB2 ASN A 7 5.129 -8.101 -5.273 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.278 -9.224 -4.231 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.832 -9.755 -6.774 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.879 -10.440 -5.526 1.00 0.00 H new ATOM 117 N PHE A 8 2.949 -8.833 -2.328 1.00 0.00 N ATOM 118 CA PHE A 8 2.656 -9.396 -0.976 1.00 0.00 C ATOM 119 C PHE A 8 3.859 -10.176 -0.440 1.00 0.00 C ATOM 120 O PHE A 8 4.186 -11.243 -0.923 1.00 0.00 O ATOM 121 CB PHE A 8 1.465 -10.332 -1.185 1.00 0.00 C ATOM 122 CG PHE A 8 1.254 -11.162 0.059 1.00 0.00 C ATOM 123 CD1 PHE A 8 0.826 -10.552 1.244 1.00 0.00 C ATOM 124 CD2 PHE A 8 1.487 -12.542 0.027 1.00 0.00 C ATOM 125 CE1 PHE A 8 0.630 -11.321 2.397 1.00 0.00 C ATOM 126 CE2 PHE A 8 1.290 -13.312 1.181 1.00 0.00 C ATOM 127 CZ PHE A 8 0.862 -12.702 2.365 1.00 0.00 C ATOM 0 H PHE A 8 2.653 -9.414 -3.113 1.00 0.00 H new ATOM 0 HA PHE A 8 2.442 -8.613 -0.249 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.568 -9.753 -1.406 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.645 -10.981 -2.042 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.647 -9.487 1.269 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.818 -13.013 -0.887 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.300 -10.850 3.311 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.469 -14.377 1.156 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.710 -13.296 3.254 1.00 0.00 H new ATOM 137 N ASP A 9 4.515 -9.657 0.562 1.00 0.00 N ATOM 138 CA ASP A 9 5.691 -10.371 1.140 1.00 0.00 C ATOM 139 C ASP A 9 6.657 -10.799 0.031 1.00 0.00 C ATOM 140 O ASP A 9 7.230 -11.869 0.074 1.00 0.00 O ATOM 141 CB ASP A 9 5.102 -11.596 1.841 1.00 0.00 C ATOM 142 CG ASP A 9 4.672 -11.215 3.258 1.00 0.00 C ATOM 143 OD1 ASP A 9 3.798 -10.372 3.384 1.00 0.00 O ATOM 144 OD2 ASP A 9 5.222 -11.771 4.193 1.00 0.00 O ATOM 0 H ASP A 9 4.287 -8.768 1.007 1.00 0.00 H new ATOM 0 HA ASP A 9 6.259 -9.741 1.824 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.248 -11.974 1.279 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.840 -12.398 1.877 1.00 0.00 H new ATOM 149 N THR A 10 6.844 -9.972 -0.960 1.00 0.00 N ATOM 150 CA THR A 10 7.776 -10.335 -2.066 1.00 0.00 C ATOM 151 C THR A 10 8.070 -9.107 -2.929 1.00 0.00 C ATOM 152 O THR A 10 7.570 -8.029 -2.681 1.00 0.00 O ATOM 153 CB THR A 10 7.033 -11.398 -2.877 1.00 0.00 C ATOM 154 OG1 THR A 10 7.854 -11.830 -3.952 1.00 0.00 O ATOM 155 CG2 THR A 10 5.737 -10.806 -3.430 1.00 0.00 C ATOM 0 H THR A 10 6.393 -9.062 -1.053 1.00 0.00 H new ATOM 0 HA THR A 10 8.734 -10.702 -1.698 1.00 0.00 H new ATOM 0 HB THR A 10 6.797 -12.247 -2.235 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.380 -12.512 -4.472 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.208 -11.564 -4.008 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.107 -10.474 -2.605 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.970 -9.957 -4.073 1.00 0.00 H new ATOM 163 N CYS A 11 8.882 -9.259 -3.940 1.00 0.00 N ATOM 164 CA CYS A 11 9.206 -8.095 -4.813 1.00 0.00 C ATOM 165 C CYS A 11 9.283 -8.533 -6.278 1.00 0.00 C ATOM 166 O CYS A 11 10.272 -8.316 -6.949 1.00 0.00 O ATOM 167 CB CYS A 11 10.570 -7.603 -4.327 1.00 0.00 C ATOM 168 SG CYS A 11 10.354 -6.091 -3.356 1.00 0.00 S ATOM 0 H CYS A 11 9.334 -10.136 -4.199 1.00 0.00 H new ATOM 0 HA CYS A 11 8.447 -7.315 -4.757 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.051 -8.371 -3.722 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.224 -7.411 -5.178 1.00 0.00 H new ATOM 173 N ARG A 12 8.245 -9.143 -6.779 1.00 0.00 N ATOM 174 CA ARG A 12 8.260 -9.589 -8.202 1.00 0.00 C ATOM 175 C ARG A 12 7.941 -8.411 -9.124 1.00 0.00 C ATOM 176 O ARG A 12 8.101 -8.488 -10.326 1.00 0.00 O ATOM 177 CB ARG A 12 7.170 -10.658 -8.293 1.00 0.00 C ATOM 178 CG ARG A 12 7.794 -12.039 -8.090 1.00 0.00 C ATOM 179 CD ARG A 12 7.085 -13.059 -8.986 1.00 0.00 C ATOM 180 NE ARG A 12 7.341 -14.376 -8.342 1.00 0.00 N ATOM 181 CZ ARG A 12 6.597 -15.405 -8.642 1.00 0.00 C ATOM 182 NH1 ARG A 12 5.298 -15.280 -8.691 1.00 0.00 N ATOM 183 NH2 ARG A 12 7.150 -16.560 -8.891 1.00 0.00 N ATOM 0 H ARG A 12 7.388 -9.352 -6.267 1.00 0.00 H new ATOM 0 HA ARG A 12 9.232 -9.976 -8.507 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.405 -10.478 -7.538 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.677 -10.609 -9.264 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.857 -12.008 -8.328 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.710 -12.337 -7.045 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.017 -12.852 -9.052 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.478 -13.033 -10.002 1.00 0.00 H new ATOM 0 HE ARG A 12 8.098 -14.474 -7.666 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.865 -14.378 -8.495 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.717 -16.085 -8.926 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.164 -16.659 -8.851 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.568 -17.364 -9.125 1.00 0.00 H new ATOM 197 N ALA A 13 7.493 -7.317 -8.570 1.00 0.00 N ATOM 198 CA ALA A 13 7.167 -6.132 -9.414 1.00 0.00 C ATOM 199 C ALA A 13 8.315 -5.121 -9.364 1.00 0.00 C ATOM 200 O ALA A 13 9.100 -5.012 -10.285 1.00 0.00 O ATOM 201 CB ALA A 13 5.904 -5.536 -8.793 1.00 0.00 C ATOM 0 H ALA A 13 7.339 -7.193 -7.569 1.00 0.00 H new ATOM 0 HA ALA A 13 7.019 -6.398 -10.461 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.600 -4.656 -9.360 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.104 -6.276 -8.814 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.106 -5.250 -7.761 1.00 0.00 H new ATOM 207 N GLY A 14 8.419 -4.382 -8.295 1.00 0.00 N ATOM 208 CA GLY A 14 9.517 -3.380 -8.186 1.00 0.00 C ATOM 209 C GLY A 14 9.102 -2.087 -8.889 1.00 0.00 C ATOM 210 O GLY A 14 9.889 -1.455 -9.562 1.00 0.00 O ATOM 0 H GLY A 14 7.792 -4.428 -7.492 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.739 -3.181 -7.138 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.429 -3.774 -8.635 1.00 0.00 H new ATOM 214 N GLU A 15 7.868 -1.689 -8.738 1.00 0.00 N ATOM 215 CA GLU A 15 7.405 -0.435 -9.399 1.00 0.00 C ATOM 216 C GLU A 15 7.260 0.684 -8.364 1.00 0.00 C ATOM 217 O GLU A 15 6.537 0.557 -7.397 1.00 0.00 O ATOM 218 CB GLU A 15 6.045 -0.785 -10.004 1.00 0.00 C ATOM 219 CG GLU A 15 6.246 -1.677 -11.232 1.00 0.00 C ATOM 220 CD GLU A 15 5.179 -1.354 -12.279 1.00 0.00 C ATOM 221 OE1 GLU A 15 4.134 -0.855 -11.895 1.00 0.00 O ATOM 222 OE2 GLU A 15 5.424 -1.612 -13.445 1.00 0.00 O ATOM 0 H GLU A 15 7.162 -2.177 -8.187 1.00 0.00 H new ATOM 0 HA GLU A 15 8.108 -0.081 -10.154 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.428 -1.298 -9.266 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.515 0.125 -10.285 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.240 -1.519 -11.650 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.184 -2.727 -10.946 1.00 0.00 H new ATOM 229 N LEU A 16 7.947 1.777 -8.557 1.00 0.00 N ATOM 230 CA LEU A 16 7.848 2.900 -7.581 1.00 0.00 C ATOM 231 C LEU A 16 7.131 4.095 -8.215 1.00 0.00 C ATOM 232 O LEU A 16 7.113 4.253 -9.420 1.00 0.00 O ATOM 233 CB LEU A 16 9.296 3.259 -7.243 1.00 0.00 C ATOM 234 CG LEU A 16 9.337 4.625 -6.556 1.00 0.00 C ATOM 235 CD1 LEU A 16 10.469 4.647 -5.528 1.00 0.00 C ATOM 236 CD2 LEU A 16 9.580 5.713 -7.604 1.00 0.00 C ATOM 0 H LEU A 16 8.571 1.941 -9.347 1.00 0.00 H new ATOM 0 HA LEU A 16 7.278 2.626 -6.694 1.00 0.00 H new ATOM 0 HB2 LEU A 16 9.727 2.499 -6.591 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.898 3.279 -8.151 1.00 0.00 H new ATOM 0 HG LEU A 16 8.387 4.807 -6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 16 10.498 5.621 -5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.298 3.871 -4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 16 11.419 4.465 -6.029 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.610 6.688 -7.117 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.530 5.529 -8.106 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.774 5.698 -8.337 1.00 0.00 H new ATOM 248 N LYS A 17 6.541 4.936 -7.412 1.00 0.00 N ATOM 249 CA LYS A 17 5.826 6.120 -7.964 1.00 0.00 C ATOM 250 C LYS A 17 6.079 7.340 -7.078 1.00 0.00 C ATOM 251 O LYS A 17 7.092 7.435 -6.413 1.00 0.00 O ATOM 252 CB LYS A 17 4.347 5.733 -7.940 1.00 0.00 C ATOM 253 CG LYS A 17 3.883 5.583 -6.490 1.00 0.00 C ATOM 254 CD LYS A 17 2.359 5.468 -6.451 1.00 0.00 C ATOM 255 CE LYS A 17 1.934 4.116 -7.029 1.00 0.00 C ATOM 256 NZ LYS A 17 0.824 4.432 -7.970 1.00 0.00 N ATOM 0 H LYS A 17 6.523 4.854 -6.395 1.00 0.00 H new ATOM 0 HA LYS A 17 6.160 6.380 -8.968 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.753 6.494 -8.446 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.196 4.798 -8.480 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.337 4.699 -6.042 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.209 6.441 -5.902 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.002 5.565 -5.426 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.908 6.278 -7.024 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.762 3.629 -7.544 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.604 3.437 -6.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.479 3.554 -8.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.048 4.889 -7.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.169 5.075 -8.711 1.00 0.00 H new ATOM 270 N VAL A 18 5.174 8.277 -7.064 1.00 0.00 N ATOM 271 CA VAL A 18 5.372 9.488 -6.223 1.00 0.00 C ATOM 272 C VAL A 18 4.129 9.751 -5.368 1.00 0.00 C ATOM 273 O VAL A 18 3.021 9.806 -5.864 1.00 0.00 O ATOM 274 CB VAL A 18 5.588 10.621 -7.222 1.00 0.00 C ATOM 275 CG1 VAL A 18 6.988 10.503 -7.827 1.00 0.00 C ATOM 276 CG2 VAL A 18 4.543 10.525 -8.335 1.00 0.00 C ATOM 0 H VAL A 18 4.306 8.256 -7.599 1.00 0.00 H new ATOM 0 HA VAL A 18 6.209 9.384 -5.533 1.00 0.00 H new ATOM 0 HB VAL A 18 5.490 11.580 -6.713 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.145 11.311 -8.541 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.734 10.569 -7.035 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.084 9.544 -8.337 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.697 11.334 -9.049 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.642 9.567 -8.845 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.545 10.605 -7.905 1.00 0.00 H new ATOM 286 N CYS A 19 4.307 9.916 -4.086 1.00 0.00 N ATOM 287 CA CYS A 19 3.138 10.177 -3.197 1.00 0.00 C ATOM 288 C CYS A 19 3.412 11.395 -2.312 1.00 0.00 C ATOM 289 O CYS A 19 2.823 12.444 -2.481 1.00 0.00 O ATOM 290 CB CYS A 19 2.997 8.918 -2.341 1.00 0.00 C ATOM 291 SG CYS A 19 2.609 7.500 -3.397 1.00 0.00 S ATOM 0 H CYS A 19 5.211 9.882 -3.615 1.00 0.00 H new ATOM 0 HA CYS A 19 2.230 10.388 -3.762 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.922 8.734 -1.794 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.210 9.057 -1.600 1.00 0.00 H new ATOM 296 N ALA A 20 4.302 11.261 -1.368 1.00 0.00 N ATOM 297 CA ALA A 20 4.615 12.409 -0.469 1.00 0.00 C ATOM 298 C ALA A 20 5.343 13.510 -1.245 1.00 0.00 C ATOM 299 O ALA A 20 6.514 13.758 -1.039 1.00 0.00 O ATOM 300 CB ALA A 20 5.524 11.826 0.613 1.00 0.00 C ATOM 0 H ALA A 20 4.826 10.407 -1.180 1.00 0.00 H new ATOM 0 HA ALA A 20 3.716 12.860 -0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.800 12.610 1.317 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.997 11.032 1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.424 11.419 0.152 1.00 0.00 H new ATOM 306 N SER A 21 4.655 14.175 -2.134 1.00 0.00 N ATOM 307 CA SER A 21 5.308 15.262 -2.920 1.00 0.00 C ATOM 308 C SER A 21 5.024 16.621 -2.273 1.00 0.00 C ATOM 309 O SER A 21 4.930 17.631 -2.941 1.00 0.00 O ATOM 310 CB SER A 21 4.672 15.186 -4.307 1.00 0.00 C ATOM 311 OG SER A 21 5.009 16.353 -5.043 1.00 0.00 O ATOM 0 H SER A 21 3.671 14.013 -2.350 1.00 0.00 H new ATOM 0 HA SER A 21 6.391 15.149 -2.963 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.022 14.297 -4.832 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.589 15.098 -4.219 1.00 0.00 H new ATOM 0 HG SER A 21 4.756 17.148 -4.529 1.00 0.00 H new ATOM 317 N GLY A 22 4.887 16.651 -0.975 1.00 0.00 N ATOM 318 CA GLY A 22 4.608 17.941 -0.282 1.00 0.00 C ATOM 319 C GLY A 22 3.796 17.670 0.986 1.00 0.00 C ATOM 320 O GLY A 22 4.032 18.257 2.023 1.00 0.00 O ATOM 0 H GLY A 22 4.956 15.837 -0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.543 18.440 -0.029 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.058 18.611 -0.943 1.00 0.00 H new ATOM 324 N GLU A 23 2.843 16.782 0.910 1.00 0.00 N ATOM 325 CA GLU A 23 2.016 16.467 2.109 1.00 0.00 C ATOM 326 C GLU A 23 1.170 15.218 1.849 1.00 0.00 C ATOM 327 O GLU A 23 -0.016 15.193 2.112 1.00 0.00 O ATOM 328 CB GLU A 23 1.119 17.689 2.311 1.00 0.00 C ATOM 329 CG GLU A 23 0.509 17.647 3.713 1.00 0.00 C ATOM 330 CD GLU A 23 -0.814 18.416 3.720 1.00 0.00 C ATOM 331 OE1 GLU A 23 -0.882 19.444 3.066 1.00 0.00 O ATOM 332 OE2 GLU A 23 -1.736 17.964 4.379 1.00 0.00 O ATOM 0 H GLU A 23 2.601 16.260 0.068 1.00 0.00 H new ATOM 0 HA GLU A 23 2.626 16.264 2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.698 18.604 2.182 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.330 17.702 1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.342 16.614 4.017 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.199 18.084 4.434 1.00 0.00 H new ATOM 339 N LYS A 24 1.770 14.180 1.331 1.00 0.00 N ATOM 340 CA LYS A 24 0.999 12.935 1.052 1.00 0.00 C ATOM 341 C LYS A 24 1.715 11.721 1.651 1.00 0.00 C ATOM 342 O LYS A 24 2.929 11.653 1.676 1.00 0.00 O ATOM 343 CB LYS A 24 0.952 12.832 -0.473 1.00 0.00 C ATOM 344 CG LYS A 24 -0.351 13.449 -0.987 1.00 0.00 C ATOM 345 CD LYS A 24 -1.532 12.566 -0.579 1.00 0.00 C ATOM 346 CE LYS A 24 -2.749 12.908 -1.443 1.00 0.00 C ATOM 347 NZ LYS A 24 -3.884 12.168 -0.824 1.00 0.00 N ATOM 0 H LYS A 24 2.760 14.141 1.089 1.00 0.00 H new ATOM 0 HA LYS A 24 0.001 12.961 1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.808 13.347 -0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.018 11.788 -0.780 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.476 14.452 -0.579 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.315 13.548 -2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.272 11.514 -0.699 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.766 12.718 0.475 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.937 13.982 -1.452 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.596 12.602 -2.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.132 11.352 -1.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.607 11.835 0.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.706 12.799 -0.741 1.00 0.00 H new ATOM 361 N TYR A 25 0.972 10.763 2.134 1.00 0.00 N ATOM 362 CA TYR A 25 1.604 9.552 2.735 1.00 0.00 C ATOM 363 C TYR A 25 1.284 8.316 1.890 1.00 0.00 C ATOM 364 O TYR A 25 0.178 8.150 1.417 1.00 0.00 O ATOM 365 CB TYR A 25 0.961 9.420 4.117 1.00 0.00 C ATOM 366 CG TYR A 25 1.841 10.072 5.157 1.00 0.00 C ATOM 367 CD1 TYR A 25 2.508 11.267 4.864 1.00 0.00 C ATOM 368 CD2 TYR A 25 1.985 9.482 6.419 1.00 0.00 C ATOM 369 CE1 TYR A 25 3.319 11.872 5.831 1.00 0.00 C ATOM 370 CE2 TYR A 25 2.797 10.085 7.386 1.00 0.00 C ATOM 371 CZ TYR A 25 3.464 11.281 7.092 1.00 0.00 C ATOM 372 OH TYR A 25 4.263 11.877 8.046 1.00 0.00 O ATOM 0 H TYR A 25 -0.048 10.766 2.139 1.00 0.00 H new ATOM 0 HA TYR A 25 2.689 9.637 2.788 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.024 9.888 4.116 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.814 8.368 4.360 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.397 11.723 3.891 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.469 8.561 6.646 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.833 12.795 5.605 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.909 9.629 8.358 1.00 0.00 H new ATOM 0 HH TYR A 25 4.253 11.338 8.864 1.00 0.00 H new ATOM 382 N CYS A 26 2.232 7.437 1.707 1.00 0.00 N ATOM 383 CA CYS A 26 1.946 6.213 0.904 1.00 0.00 C ATOM 384 C CYS A 26 1.137 5.231 1.755 1.00 0.00 C ATOM 385 O CYS A 26 1.537 4.859 2.841 1.00 0.00 O ATOM 386 CB CYS A 26 3.314 5.629 0.538 1.00 0.00 C ATOM 387 SG CYS A 26 3.315 5.182 -1.220 1.00 0.00 S ATOM 0 H CYS A 26 3.181 7.511 2.074 1.00 0.00 H new ATOM 0 HA CYS A 26 1.363 6.425 0.008 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.100 6.356 0.742 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.525 4.752 1.150 1.00 0.00 H new ATOM 392 N PHE A 27 -0.009 4.827 1.280 1.00 0.00 N ATOM 393 CA PHE A 27 -0.854 3.888 2.074 1.00 0.00 C ATOM 394 C PHE A 27 -0.798 2.474 1.487 1.00 0.00 C ATOM 395 O PHE A 27 -1.131 2.253 0.341 1.00 0.00 O ATOM 396 CB PHE A 27 -2.272 4.455 1.968 1.00 0.00 C ATOM 397 CG PHE A 27 -2.837 4.163 0.596 1.00 0.00 C ATOM 398 CD1 PHE A 27 -2.528 5.001 -0.483 1.00 0.00 C ATOM 399 CD2 PHE A 27 -3.671 3.054 0.405 1.00 0.00 C ATOM 400 CE1 PHE A 27 -3.052 4.729 -1.753 1.00 0.00 C ATOM 401 CE2 PHE A 27 -4.193 2.782 -0.865 1.00 0.00 C ATOM 402 CZ PHE A 27 -3.885 3.620 -1.944 1.00 0.00 C ATOM 0 H PHE A 27 -0.397 5.105 0.379 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.515 3.807 3.107 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.908 4.014 2.735 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.258 5.530 2.145 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.886 5.857 -0.336 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.911 2.409 1.237 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.813 5.375 -2.585 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.834 1.925 -1.013 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.290 3.411 -2.923 1.00 0.00 H new ATOM 412 N LYS A 28 -0.393 1.513 2.272 1.00 0.00 N ATOM 413 CA LYS A 28 -0.336 0.113 1.764 1.00 0.00 C ATOM 414 C LYS A 28 -1.656 -0.595 2.076 1.00 0.00 C ATOM 415 O LYS A 28 -2.174 -0.499 3.172 1.00 0.00 O ATOM 416 CB LYS A 28 0.819 -0.543 2.521 1.00 0.00 C ATOM 417 CG LYS A 28 1.141 -1.896 1.883 1.00 0.00 C ATOM 418 CD LYS A 28 1.145 -2.982 2.960 1.00 0.00 C ATOM 419 CE LYS A 28 2.361 -2.794 3.870 1.00 0.00 C ATOM 420 NZ LYS A 28 2.390 -4.011 4.730 1.00 0.00 N ATOM 0 H LYS A 28 -0.100 1.636 3.241 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.185 0.064 0.686 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.698 0.102 2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.552 -0.677 3.569 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.404 -2.133 1.116 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.112 -1.855 1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.227 -2.931 3.546 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.173 -3.968 2.497 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.278 -2.699 3.289 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.269 -1.889 4.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.198 -3.956 5.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.507 -4.071 5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.485 -4.857 4.132 1.00 0.00 H new ATOM 434 N GLU A 29 -2.210 -1.297 1.126 1.00 0.00 N ATOM 435 CA GLU A 29 -3.502 -1.998 1.378 1.00 0.00 C ATOM 436 C GLU A 29 -3.376 -3.491 1.063 1.00 0.00 C ATOM 437 O GLU A 29 -2.699 -3.886 0.135 1.00 0.00 O ATOM 438 CB GLU A 29 -4.501 -1.334 0.431 1.00 0.00 C ATOM 439 CG GLU A 29 -5.925 -1.591 0.927 1.00 0.00 C ATOM 440 CD GLU A 29 -6.830 -1.921 -0.264 1.00 0.00 C ATOM 441 OE1 GLU A 29 -6.400 -2.680 -1.115 1.00 0.00 O ATOM 442 OE2 GLU A 29 -7.936 -1.409 -0.300 1.00 0.00 O ATOM 0 H GLU A 29 -1.826 -1.416 0.189 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.811 -1.924 2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.311 -0.262 0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.379 -1.729 -0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.930 -2.415 1.640 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.302 -0.713 1.452 1.00 0.00 H new ATOM 449 N SER A 30 -4.031 -4.322 1.829 1.00 0.00 N ATOM 450 CA SER A 30 -3.959 -5.788 1.578 1.00 0.00 C ATOM 451 C SER A 30 -5.363 -6.396 1.631 1.00 0.00 C ATOM 452 O SER A 30 -6.036 -6.341 2.641 1.00 0.00 O ATOM 453 CB SER A 30 -3.090 -6.344 2.705 1.00 0.00 C ATOM 454 OG SER A 30 -2.149 -7.261 2.164 1.00 0.00 O ATOM 0 H SER A 30 -4.614 -4.047 2.619 1.00 0.00 H new ATOM 0 HA SER A 30 -3.545 -6.021 0.597 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.572 -5.532 3.215 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.713 -6.841 3.449 1.00 0.00 H new ATOM 0 HG SER A 30 -2.469 -7.584 1.296 1.00 0.00 H new ATOM 460 N TRP A 31 -5.812 -6.971 0.549 1.00 0.00 N ATOM 461 CA TRP A 31 -7.175 -7.577 0.538 1.00 0.00 C ATOM 462 C TRP A 31 -7.111 -9.041 0.980 1.00 0.00 C ATOM 463 O TRP A 31 -6.355 -9.828 0.446 1.00 0.00 O ATOM 464 CB TRP A 31 -7.641 -7.475 -0.914 1.00 0.00 C ATOM 465 CG TRP A 31 -9.039 -6.949 -0.951 1.00 0.00 C ATOM 466 CD1 TRP A 31 -10.116 -7.565 -0.413 1.00 0.00 C ATOM 467 CD2 TRP A 31 -9.531 -5.713 -1.547 1.00 0.00 C ATOM 468 NE1 TRP A 31 -11.237 -6.787 -0.640 1.00 0.00 N ATOM 469 CE2 TRP A 31 -10.927 -5.635 -1.335 1.00 0.00 C ATOM 470 CE3 TRP A 31 -8.906 -4.663 -2.245 1.00 0.00 C ATOM 471 CZ2 TRP A 31 -11.678 -4.554 -1.797 1.00 0.00 C ATOM 472 CZ3 TRP A 31 -9.659 -3.573 -2.712 1.00 0.00 C ATOM 473 CH2 TRP A 31 -11.042 -3.519 -2.488 1.00 0.00 C ATOM 0 H TRP A 31 -5.295 -7.048 -0.327 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.856 -7.071 1.222 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.978 -6.816 -1.475 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -7.596 -8.454 -1.391 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -10.103 -8.510 0.109 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -12.177 -7.034 -0.332 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -7.841 -4.695 -2.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -12.743 -4.517 -1.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -9.170 -2.772 -3.247 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -11.615 -2.678 -2.849 1.00 0.00 H new ATOM 484 N ARG A 32 -7.903 -9.412 1.948 1.00 0.00 N ATOM 485 CA ARG A 32 -7.891 -10.826 2.420 1.00 0.00 C ATOM 486 C ARG A 32 -8.958 -11.637 1.680 1.00 0.00 C ATOM 487 O ARG A 32 -9.935 -12.069 2.257 1.00 0.00 O ATOM 488 CB ARG A 32 -8.213 -10.750 3.913 1.00 0.00 C ATOM 489 CG ARG A 32 -7.699 -12.009 4.612 1.00 0.00 C ATOM 490 CD ARG A 32 -8.800 -12.584 5.505 1.00 0.00 C ATOM 491 NE ARG A 32 -8.146 -13.696 6.249 1.00 0.00 N ATOM 492 CZ ARG A 32 -8.875 -14.605 6.838 1.00 0.00 C ATOM 493 NH1 ARG A 32 -9.288 -15.645 6.167 1.00 0.00 N ATOM 494 NH2 ARG A 32 -9.188 -14.472 8.098 1.00 0.00 N ATOM 0 H ARG A 32 -8.558 -8.798 2.432 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.935 -11.315 2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.752 -9.865 4.350 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.289 -10.654 4.059 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.393 -12.749 3.872 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.819 -11.772 5.209 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.191 -11.829 6.187 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.641 -12.945 4.913 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.129 -13.747 6.298 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.041 -15.748 5.183 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.858 -16.355 6.627 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.863 -13.659 8.621 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.757 -15.181 8.560 1.00 0.00 H new ATOM 508 N GLU A 33 -8.777 -11.844 0.405 1.00 0.00 N ATOM 509 CA GLU A 33 -9.780 -12.624 -0.374 1.00 0.00 C ATOM 510 C GLU A 33 -9.708 -14.107 0.004 1.00 0.00 C ATOM 511 O GLU A 33 -8.645 -14.646 0.236 1.00 0.00 O ATOM 512 CB GLU A 33 -9.386 -12.423 -1.839 1.00 0.00 C ATOM 513 CG GLU A 33 -10.563 -11.826 -2.610 1.00 0.00 C ATOM 514 CD GLU A 33 -10.038 -10.989 -3.778 1.00 0.00 C ATOM 515 OE1 GLU A 33 -8.830 -10.903 -3.923 1.00 0.00 O ATOM 516 OE2 GLU A 33 -10.854 -10.449 -4.508 1.00 0.00 O ATOM 0 H GLU A 33 -7.978 -11.507 -0.132 1.00 0.00 H new ATOM 0 HA GLU A 33 -10.801 -12.297 -0.178 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.522 -11.762 -1.906 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.094 -13.375 -2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.209 -12.622 -2.981 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.168 -11.206 -1.948 1.00 0.00 H new ATOM 523 N ALA A 34 -10.831 -14.767 0.069 1.00 0.00 N ATOM 524 CA ALA A 34 -10.824 -16.213 0.434 1.00 0.00 C ATOM 525 C ALA A 34 -9.983 -17.006 -0.569 1.00 0.00 C ATOM 526 O ALA A 34 -9.588 -18.126 -0.313 1.00 0.00 O ATOM 527 CB ALA A 34 -12.289 -16.647 0.369 1.00 0.00 C ATOM 0 H ALA A 34 -11.752 -14.369 -0.114 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.392 -16.388 1.419 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.367 -17.703 0.626 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.875 -16.058 1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.671 -16.490 -0.640 1.00 0.00 H new ATOM 533 N ARG A 35 -9.707 -16.435 -1.709 1.00 0.00 N ATOM 534 CA ARG A 35 -8.891 -17.157 -2.727 1.00 0.00 C ATOM 535 C ARG A 35 -7.404 -16.862 -2.517 1.00 0.00 C ATOM 536 O ARG A 35 -6.562 -17.290 -3.281 1.00 0.00 O ATOM 537 CB ARG A 35 -9.362 -16.609 -4.074 1.00 0.00 C ATOM 538 CG ARG A 35 -10.869 -16.828 -4.217 1.00 0.00 C ATOM 539 CD ARG A 35 -11.167 -17.453 -5.582 1.00 0.00 C ATOM 540 NE ARG A 35 -10.854 -16.383 -6.570 1.00 0.00 N ATOM 541 CZ ARG A 35 -11.451 -16.371 -7.729 1.00 0.00 C ATOM 542 NH1 ARG A 35 -11.336 -17.394 -8.533 1.00 0.00 N ATOM 543 NH2 ARG A 35 -12.163 -15.338 -8.085 1.00 0.00 N ATOM 0 H ARG A 35 -10.011 -15.500 -1.980 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.012 -18.238 -2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.130 -15.547 -4.147 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.833 -17.108 -4.886 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.230 -17.479 -3.421 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.396 -15.879 -4.117 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.556 -18.339 -5.753 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.209 -17.765 -5.655 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.173 -15.660 -6.340 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.779 -18.202 -8.254 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.803 -17.385 -9.440 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.253 -14.539 -7.457 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.630 -15.329 -8.992 1.00 0.00 H new ATOM 557 N GLY A 36 -7.074 -16.134 -1.486 1.00 0.00 N ATOM 558 CA GLY A 36 -5.642 -15.813 -1.228 1.00 0.00 C ATOM 559 C GLY A 36 -5.537 -14.423 -0.599 1.00 0.00 C ATOM 560 O GLY A 36 -6.380 -14.016 0.175 1.00 0.00 O ATOM 0 H GLY A 36 -7.734 -15.748 -0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.205 -16.559 -0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.077 -15.846 -2.160 1.00 0.00 H new ATOM 564 N THR A 37 -4.506 -13.691 -0.926 1.00 0.00 N ATOM 565 CA THR A 37 -4.348 -12.328 -0.344 1.00 0.00 C ATOM 566 C THR A 37 -3.687 -11.389 -1.358 1.00 0.00 C ATOM 567 O THR A 37 -2.705 -11.732 -1.987 1.00 0.00 O ATOM 568 CB THR A 37 -3.444 -12.522 0.876 1.00 0.00 C ATOM 569 OG1 THR A 37 -2.434 -13.473 0.568 1.00 0.00 O ATOM 570 CG2 THR A 37 -4.276 -13.023 2.057 1.00 0.00 C ATOM 0 H THR A 37 -3.768 -13.977 -1.569 1.00 0.00 H new ATOM 0 HA THR A 37 -5.305 -11.880 -0.077 1.00 0.00 H new ATOM 0 HB THR A 37 -2.981 -11.571 1.140 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.099 -13.312 -0.339 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.631 -13.160 2.924 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.050 -12.293 2.293 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.741 -13.974 1.797 1.00 0.00 H new ATOM 578 N ARG A 38 -4.218 -10.207 -1.519 1.00 0.00 N ATOM 579 CA ARG A 38 -3.620 -9.245 -2.490 1.00 0.00 C ATOM 580 C ARG A 38 -3.112 -8.004 -1.750 1.00 0.00 C ATOM 581 O ARG A 38 -3.516 -7.726 -0.639 1.00 0.00 O ATOM 582 CB ARG A 38 -4.763 -8.873 -3.435 1.00 0.00 C ATOM 583 CG ARG A 38 -4.624 -9.656 -4.742 1.00 0.00 C ATOM 584 CD ARG A 38 -5.433 -8.963 -5.841 1.00 0.00 C ATOM 585 NE ARG A 38 -6.256 -10.043 -6.452 1.00 0.00 N ATOM 586 CZ ARG A 38 -6.414 -10.088 -7.745 1.00 0.00 C ATOM 587 NH1 ARG A 38 -5.456 -10.547 -8.503 1.00 0.00 N ATOM 588 NH2 ARG A 38 -7.530 -9.676 -8.282 1.00 0.00 N ATOM 0 H ARG A 38 -5.040 -9.866 -1.020 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.771 -9.670 -3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.722 -9.095 -2.967 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.747 -7.802 -3.637 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.575 -9.717 -5.032 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.977 -10.678 -4.605 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.061 -8.173 -5.430 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.779 -8.499 -6.580 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.696 -10.747 -5.859 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.584 -10.870 -8.084 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.579 -10.583 -9.515 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.279 -9.318 -7.690 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.653 -9.712 -9.294 1.00 0.00 H new ATOM 602 N ILE A 39 -2.227 -7.257 -2.353 1.00 0.00 N ATOM 603 CA ILE A 39 -1.700 -6.039 -1.674 1.00 0.00 C ATOM 604 C ILE A 39 -1.372 -4.954 -2.706 1.00 0.00 C ATOM 605 O ILE A 39 -0.798 -5.224 -3.744 1.00 0.00 O ATOM 606 CB ILE A 39 -0.435 -6.511 -0.953 1.00 0.00 C ATOM 607 CG1 ILE A 39 -0.051 -5.496 0.126 1.00 0.00 C ATOM 608 CG2 ILE A 39 0.715 -6.645 -1.953 1.00 0.00 C ATOM 609 CD1 ILE A 39 1.182 -5.997 0.881 1.00 0.00 C ATOM 0 H ILE A 39 -1.848 -7.437 -3.283 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.421 -5.601 -0.984 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.628 -7.480 -0.493 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.156 -4.527 -0.328 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.881 -5.353 0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.612 -6.981 -1.433 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.447 -7.371 -2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.907 -5.678 -2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.456 -5.275 1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.958 -6.956 1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.011 -6.118 0.184 1.00 0.00 H new ATOM 621 N GLU A 40 -1.730 -3.730 -2.429 1.00 0.00 N ATOM 622 CA GLU A 40 -1.437 -2.629 -3.392 1.00 0.00 C ATOM 623 C GLU A 40 -1.085 -1.344 -2.634 1.00 0.00 C ATOM 624 O GLU A 40 -1.475 -1.157 -1.500 1.00 0.00 O ATOM 625 CB GLU A 40 -2.729 -2.445 -4.189 1.00 0.00 C ATOM 626 CG GLU A 40 -2.679 -3.310 -5.451 1.00 0.00 C ATOM 627 CD GLU A 40 -1.501 -2.874 -6.323 1.00 0.00 C ATOM 628 OE1 GLU A 40 -1.473 -1.717 -6.712 1.00 0.00 O ATOM 629 OE2 GLU A 40 -0.645 -3.703 -6.589 1.00 0.00 O ATOM 0 H GLU A 40 -2.213 -3.444 -1.577 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.590 -2.859 -4.038 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.588 -2.723 -3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.856 -1.397 -4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.575 -4.361 -5.180 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.612 -3.215 -6.007 1.00 0.00 H new ATOM 636 N ARG A 41 -0.349 -0.460 -3.250 1.00 0.00 N ATOM 637 CA ARG A 41 0.026 0.808 -2.559 1.00 0.00 C ATOM 638 C ARG A 41 -0.531 2.013 -3.322 1.00 0.00 C ATOM 639 O ARG A 41 -1.368 1.877 -4.191 1.00 0.00 O ATOM 640 CB ARG A 41 1.555 0.826 -2.568 1.00 0.00 C ATOM 641 CG ARG A 41 2.081 0.143 -1.303 1.00 0.00 C ATOM 642 CD ARG A 41 3.581 -0.126 -1.452 1.00 0.00 C ATOM 643 NE ARG A 41 4.239 0.835 -0.526 1.00 0.00 N ATOM 644 CZ ARG A 41 4.108 0.691 0.765 1.00 0.00 C ATOM 645 NH1 ARG A 41 4.396 -0.451 1.326 1.00 0.00 N ATOM 646 NH2 ARG A 41 3.691 1.690 1.495 1.00 0.00 N ATOM 0 H ARG A 41 0.009 -0.560 -4.200 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.376 0.861 -1.547 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.930 0.313 -3.454 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.917 1.853 -2.617 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.899 0.775 -0.434 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.548 -0.793 -1.134 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.825 -1.156 -1.191 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.909 0.029 -2.480 1.00 0.00 H new ATOM 0 HE ARG A 41 4.792 1.606 -0.900 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.723 -1.231 0.756 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.294 -0.564 2.335 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.467 2.583 1.057 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.589 1.577 2.504 1.00 0.00 H new ATOM 660 N GLY A 42 -0.073 3.193 -3.002 1.00 0.00 N ATOM 661 CA GLY A 42 -0.577 4.405 -3.707 1.00 0.00 C ATOM 662 C GLY A 42 -0.204 5.655 -2.908 1.00 0.00 C ATOM 663 O GLY A 42 0.674 5.628 -2.068 1.00 0.00 O ATOM 0 H GLY A 42 0.628 3.370 -2.283 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.150 4.460 -4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.659 4.346 -3.825 1.00 0.00 H new ATOM 667 N CYS A 43 -0.863 6.754 -3.162 1.00 0.00 N ATOM 668 CA CYS A 43 -0.543 8.005 -2.414 1.00 0.00 C ATOM 669 C CYS A 43 -1.807 8.555 -1.744 1.00 0.00 C ATOM 670 O CYS A 43 -2.734 8.981 -2.403 1.00 0.00 O ATOM 671 CB CYS A 43 -0.032 8.990 -3.471 1.00 0.00 C ATOM 672 SG CYS A 43 1.120 8.156 -4.594 1.00 0.00 S ATOM 0 H CYS A 43 -1.608 6.840 -3.854 1.00 0.00 H new ATOM 0 HA CYS A 43 0.193 7.835 -1.628 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.871 9.398 -4.035 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.465 9.830 -2.986 1.00 0.00 H new ATOM 677 N ALA A 44 -1.852 8.551 -0.439 1.00 0.00 N ATOM 678 CA ALA A 44 -3.059 9.075 0.266 1.00 0.00 C ATOM 679 C ALA A 44 -2.673 9.641 1.636 1.00 0.00 C ATOM 680 O ALA A 44 -1.525 9.607 2.032 1.00 0.00 O ATOM 681 CB ALA A 44 -3.982 7.867 0.429 1.00 0.00 C ATOM 0 H ALA A 44 -1.108 8.209 0.169 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.537 9.883 -0.288 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.894 8.173 0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.234 7.466 -0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.477 7.100 1.015 1.00 0.00 H new ATOM 687 N ALA A 45 -3.625 10.160 2.361 1.00 0.00 N ATOM 688 CA ALA A 45 -3.312 10.727 3.706 1.00 0.00 C ATOM 689 C ALA A 45 -4.259 10.149 4.763 1.00 0.00 C ATOM 690 O ALA A 45 -4.062 10.329 5.948 1.00 0.00 O ATOM 691 CB ALA A 45 -3.527 12.234 3.559 1.00 0.00 C ATOM 0 H ALA A 45 -4.605 10.217 2.082 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.298 10.488 4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.317 12.726 4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.858 12.624 2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.560 12.428 3.271 1.00 0.00 H new ATOM 697 N THR A 46 -5.288 9.458 4.347 1.00 0.00 N ATOM 698 CA THR A 46 -6.242 8.876 5.335 1.00 0.00 C ATOM 699 C THR A 46 -6.441 7.379 5.073 1.00 0.00 C ATOM 700 O THR A 46 -6.992 6.669 5.891 1.00 0.00 O ATOM 701 CB THR A 46 -7.552 9.634 5.114 1.00 0.00 C ATOM 702 OG1 THR A 46 -7.327 11.026 5.288 1.00 0.00 O ATOM 703 CG2 THR A 46 -8.598 9.155 6.121 1.00 0.00 C ATOM 0 H THR A 46 -5.508 9.272 3.369 1.00 0.00 H new ATOM 0 HA THR A 46 -5.879 8.971 6.358 1.00 0.00 H new ATOM 0 HB THR A 46 -7.913 9.447 4.103 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.165 11.513 5.145 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.531 9.696 5.962 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.771 8.087 5.986 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.239 9.340 7.134 1.00 0.00 H new ATOM 711 N CYS A 47 -5.991 6.898 3.943 1.00 0.00 N ATOM 712 CA CYS A 47 -6.140 5.451 3.615 1.00 0.00 C ATOM 713 C CYS A 47 -7.485 4.923 4.125 1.00 0.00 C ATOM 714 O CYS A 47 -7.530 4.004 4.918 1.00 0.00 O ATOM 715 CB CYS A 47 -4.984 4.739 4.325 1.00 0.00 C ATOM 716 SG CYS A 47 -3.508 5.795 4.396 1.00 0.00 S ATOM 0 H CYS A 47 -5.522 7.453 3.227 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.115 5.280 2.539 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.288 4.465 5.335 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -4.747 3.813 3.801 1.00 0.00 H new ATOM 721 N PRO A 48 -8.539 5.529 3.651 1.00 0.00 N ATOM 722 CA PRO A 48 -9.904 5.121 4.065 1.00 0.00 C ATOM 723 C PRO A 48 -10.281 3.780 3.431 1.00 0.00 C ATOM 724 O PRO A 48 -10.537 3.692 2.246 1.00 0.00 O ATOM 725 CB PRO A 48 -10.790 6.243 3.533 1.00 0.00 C ATOM 726 CG PRO A 48 -10.024 6.835 2.392 1.00 0.00 C ATOM 727 CD PRO A 48 -8.560 6.640 2.693 1.00 0.00 C ATOM 0 HA PRO A 48 -10.000 4.982 5.142 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.756 5.860 3.203 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.989 6.988 4.304 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -10.293 6.349 1.454 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.257 7.894 2.280 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.996 6.400 1.792 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.116 7.541 3.117 1.00 0.00 H new ATOM 735 N LYS A 49 -10.322 2.734 4.211 1.00 0.00 N ATOM 736 CA LYS A 49 -10.685 1.400 3.651 1.00 0.00 C ATOM 737 C LYS A 49 -10.936 0.401 4.785 1.00 0.00 C ATOM 738 O LYS A 49 -11.185 0.776 5.913 1.00 0.00 O ATOM 739 CB LYS A 49 -9.475 0.979 2.816 1.00 0.00 C ATOM 740 CG LYS A 49 -9.840 1.025 1.331 1.00 0.00 C ATOM 741 CD LYS A 49 -9.016 2.110 0.633 1.00 0.00 C ATOM 742 CE LYS A 49 -8.549 1.596 -0.730 1.00 0.00 C ATOM 743 NZ LYS A 49 -7.679 2.677 -1.270 1.00 0.00 N ATOM 0 H LYS A 49 -10.120 2.745 5.211 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.597 1.435 3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.633 1.642 3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.161 -0.027 3.093 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.650 0.056 0.869 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.904 1.230 1.214 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.614 3.012 0.508 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.156 2.380 1.246 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.000 0.659 -0.632 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.395 1.403 -1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.769 2.711 -2.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.970 3.591 -0.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.689 2.486 -1.015 1.00 0.00 H new ATOM 757 N GLY A 50 -10.874 -0.871 4.494 1.00 0.00 N ATOM 758 CA GLY A 50 -11.113 -1.889 5.556 1.00 0.00 C ATOM 759 C GLY A 50 -12.607 -1.946 5.876 1.00 0.00 C ATOM 760 O GLY A 50 -13.260 -0.930 6.009 1.00 0.00 O ATOM 0 H GLY A 50 -10.669 -1.248 3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.763 -2.866 5.224 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.547 -1.636 6.452 1.00 0.00 H new ATOM 764 N SER A 51 -13.159 -3.125 6.001 1.00 0.00 N ATOM 765 CA SER A 51 -14.615 -3.228 6.311 1.00 0.00 C ATOM 766 C SER A 51 -14.902 -4.508 7.100 1.00 0.00 C ATOM 767 O SER A 51 -14.978 -4.497 8.312 1.00 0.00 O ATOM 768 CB SER A 51 -15.306 -3.272 4.948 1.00 0.00 C ATOM 769 OG SER A 51 -16.684 -3.566 5.130 1.00 0.00 O ATOM 0 H SER A 51 -12.669 -4.014 5.903 1.00 0.00 H new ATOM 0 HA SER A 51 -14.966 -2.396 6.921 1.00 0.00 H new ATOM 0 HB2 SER A 51 -15.191 -2.316 4.438 1.00 0.00 H new ATOM 0 HB3 SER A 51 -14.841 -4.029 4.316 1.00 0.00 H new ATOM 0 HG SER A 51 -17.131 -3.593 4.258 1.00 0.00 H new ATOM 775 N VAL A 52 -15.062 -5.609 6.420 1.00 0.00 N ATOM 776 CA VAL A 52 -15.345 -6.890 7.131 1.00 0.00 C ATOM 777 C VAL A 52 -14.037 -7.588 7.497 1.00 0.00 C ATOM 778 O VAL A 52 -13.948 -8.800 7.517 1.00 0.00 O ATOM 779 CB VAL A 52 -16.128 -7.726 6.128 1.00 0.00 C ATOM 780 CG1 VAL A 52 -16.674 -8.970 6.824 1.00 0.00 C ATOM 781 CG2 VAL A 52 -17.283 -6.893 5.576 1.00 0.00 C ATOM 0 H VAL A 52 -15.009 -5.679 5.404 1.00 0.00 H new ATOM 0 HA VAL A 52 -15.896 -6.737 8.059 1.00 0.00 H new ATOM 0 HB VAL A 52 -15.476 -8.030 5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -17.235 -9.571 6.108 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -15.846 -9.558 7.221 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -17.331 -8.671 7.641 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -17.848 -7.486 4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -17.938 -6.593 6.394 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -16.888 -6.005 5.083 1.00 0.00 H new ATOM 791 N TYR A 53 -13.022 -6.829 7.781 1.00 0.00 N ATOM 792 CA TYR A 53 -11.708 -7.434 8.141 1.00 0.00 C ATOM 793 C TYR A 53 -11.109 -8.137 6.922 1.00 0.00 C ATOM 794 O TYR A 53 -10.646 -9.257 7.005 1.00 0.00 O ATOM 795 CB TYR A 53 -12.021 -8.446 9.245 1.00 0.00 C ATOM 796 CG TYR A 53 -10.785 -8.681 10.081 1.00 0.00 C ATOM 797 CD1 TYR A 53 -10.127 -7.599 10.677 1.00 0.00 C ATOM 798 CD2 TYR A 53 -10.298 -9.981 10.261 1.00 0.00 C ATOM 799 CE1 TYR A 53 -8.982 -7.817 11.454 1.00 0.00 C ATOM 800 CE2 TYR A 53 -9.154 -10.199 11.037 1.00 0.00 C ATOM 801 CZ TYR A 53 -8.496 -9.117 11.634 1.00 0.00 C ATOM 802 OH TYR A 53 -7.368 -9.332 12.400 1.00 0.00 O ATOM 0 H TYR A 53 -13.042 -5.809 7.780 1.00 0.00 H new ATOM 0 HA TYR A 53 -10.984 -6.689 8.471 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -12.832 -8.076 9.872 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -12.360 -9.385 8.807 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -10.502 -6.596 10.538 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -10.805 -10.816 9.801 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -8.474 -6.982 11.914 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -8.779 -11.202 11.175 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.167 -10.291 12.424 1.00 0.00 H new ATOM 812 N GLY A 54 -11.118 -7.489 5.788 1.00 0.00 N ATOM 813 CA GLY A 54 -10.552 -8.127 4.566 1.00 0.00 C ATOM 814 C GLY A 54 -9.699 -7.114 3.802 1.00 0.00 C ATOM 815 O GLY A 54 -9.376 -7.307 2.647 1.00 0.00 O ATOM 0 H GLY A 54 -11.491 -6.549 5.656 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.947 -8.991 4.842 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.357 -8.492 3.929 1.00 0.00 H new ATOM 819 N LEU A 55 -9.333 -6.034 4.435 1.00 0.00 N ATOM 820 CA LEU A 55 -8.501 -5.011 3.739 1.00 0.00 C ATOM 821 C LEU A 55 -7.568 -4.317 4.736 1.00 0.00 C ATOM 822 O LEU A 55 -7.935 -3.350 5.375 1.00 0.00 O ATOM 823 CB LEU A 55 -9.506 -4.017 3.155 1.00 0.00 C ATOM 824 CG LEU A 55 -9.912 -4.469 1.751 1.00 0.00 C ATOM 825 CD1 LEU A 55 -11.343 -5.006 1.781 1.00 0.00 C ATOM 826 CD2 LEU A 55 -9.836 -3.277 0.794 1.00 0.00 C ATOM 0 H LEU A 55 -9.573 -5.815 5.402 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.866 -5.448 2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.385 -3.953 3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.067 -3.020 3.115 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.237 -5.255 1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.632 -5.328 0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.400 -5.853 2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.019 -4.221 2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.125 -3.596 -0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.513 -2.493 1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.816 -2.892 0.773 1.00 0.00 H new ATOM 838 N TYR A 56 -6.364 -4.801 4.871 1.00 0.00 N ATOM 839 CA TYR A 56 -5.405 -4.170 5.822 1.00 0.00 C ATOM 840 C TYR A 56 -4.791 -2.920 5.187 1.00 0.00 C ATOM 841 O TYR A 56 -4.109 -2.993 4.184 1.00 0.00 O ATOM 842 CB TYR A 56 -4.333 -5.233 6.062 1.00 0.00 C ATOM 843 CG TYR A 56 -3.512 -4.865 7.276 1.00 0.00 C ATOM 844 CD1 TYR A 56 -4.041 -5.048 8.560 1.00 0.00 C ATOM 845 CD2 TYR A 56 -2.223 -4.344 7.118 1.00 0.00 C ATOM 846 CE1 TYR A 56 -3.278 -4.711 9.685 1.00 0.00 C ATOM 847 CE2 TYR A 56 -1.461 -4.007 8.243 1.00 0.00 C ATOM 848 CZ TYR A 56 -1.988 -4.190 9.526 1.00 0.00 C ATOM 849 OH TYR A 56 -1.237 -3.859 10.635 1.00 0.00 O ATOM 0 H TYR A 56 -6.002 -5.608 4.363 1.00 0.00 H new ATOM 0 HA TYR A 56 -5.881 -3.857 6.751 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.800 -6.207 6.209 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.688 -5.317 5.187 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.036 -5.449 8.682 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.816 -4.202 6.128 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.685 -4.853 10.675 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.466 -3.606 8.120 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.366 -3.513 10.349 1.00 0.00 H new ATOM 859 N VAL A 57 -5.034 -1.771 5.756 1.00 0.00 N ATOM 860 CA VAL A 57 -4.468 -0.521 5.173 1.00 0.00 C ATOM 861 C VAL A 57 -3.541 0.170 6.175 1.00 0.00 C ATOM 862 O VAL A 57 -3.773 0.153 7.368 1.00 0.00 O ATOM 863 CB VAL A 57 -5.682 0.355 4.870 1.00 0.00 C ATOM 864 CG1 VAL A 57 -5.240 1.581 4.069 1.00 0.00 C ATOM 865 CG2 VAL A 57 -6.696 -0.448 4.051 1.00 0.00 C ATOM 0 H VAL A 57 -5.598 -1.644 6.596 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.871 -0.717 4.283 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.140 0.677 5.805 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.106 2.206 3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.516 2.153 4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.783 1.259 3.134 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.563 0.175 3.834 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.236 -0.769 3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.011 -1.323 4.619 1.00 0.00 H new ATOM 875 N LEU A 58 -2.492 0.781 5.697 1.00 0.00 N ATOM 876 CA LEU A 58 -1.545 1.479 6.614 1.00 0.00 C ATOM 877 C LEU A 58 -0.925 2.688 5.905 1.00 0.00 C ATOM 878 O LEU A 58 -0.493 2.599 4.773 1.00 0.00 O ATOM 879 CB LEU A 58 -0.472 0.440 6.942 1.00 0.00 C ATOM 880 CG LEU A 58 0.687 1.118 7.673 1.00 0.00 C ATOM 881 CD1 LEU A 58 1.305 0.138 8.671 1.00 0.00 C ATOM 882 CD2 LEU A 58 1.748 1.544 6.655 1.00 0.00 C ATOM 0 H LEU A 58 -2.249 0.827 4.708 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.036 1.852 7.513 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.894 -0.351 7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.113 -0.030 6.026 1.00 0.00 H new ATOM 0 HG LEU A 58 0.318 1.994 8.206 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.131 0.622 9.192 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.550 -0.169 9.395 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.675 -0.738 8.139 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.576 2.028 7.173 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.116 0.666 6.124 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.309 2.242 5.942 1.00 0.00 H new ATOM 894 N CYS A 59 -0.880 3.818 6.558 1.00 0.00 N ATOM 895 CA CYS A 59 -0.291 5.029 5.912 1.00 0.00 C ATOM 896 C CYS A 59 1.132 5.263 6.425 1.00 0.00 C ATOM 897 O CYS A 59 1.418 5.084 7.593 1.00 0.00 O ATOM 898 CB CYS A 59 -1.194 6.204 6.316 1.00 0.00 C ATOM 899 SG CYS A 59 -2.933 5.692 6.330 1.00 0.00 S ATOM 0 H CYS A 59 -1.224 3.956 7.508 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.236 4.917 4.829 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.908 6.568 7.303 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.058 7.031 5.619 1.00 0.00 H new ATOM 904 N CYS A 60 2.026 5.667 5.564 1.00 0.00 N ATOM 905 CA CYS A 60 3.429 5.919 6.011 1.00 0.00 C ATOM 906 C CYS A 60 4.114 6.925 5.079 1.00 0.00 C ATOM 907 O CYS A 60 3.581 7.301 4.053 1.00 0.00 O ATOM 908 CB CYS A 60 4.150 4.560 5.962 1.00 0.00 C ATOM 909 SG CYS A 60 3.502 3.531 4.615 1.00 0.00 S ATOM 0 H CYS A 60 1.848 5.833 4.574 1.00 0.00 H new ATOM 0 HA CYS A 60 3.455 6.342 7.015 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.220 4.716 5.823 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.024 4.043 6.913 1.00 0.00 H new ATOM 914 N THR A 61 5.292 7.365 5.433 1.00 0.00 N ATOM 915 CA THR A 61 6.014 8.345 4.580 1.00 0.00 C ATOM 916 C THR A 61 7.519 8.274 4.853 1.00 0.00 C ATOM 917 O THR A 61 7.972 7.495 5.668 1.00 0.00 O ATOM 918 CB THR A 61 5.457 9.712 4.981 1.00 0.00 C ATOM 919 OG1 THR A 61 5.921 10.697 4.067 1.00 0.00 O ATOM 920 CG2 THR A 61 5.928 10.062 6.394 1.00 0.00 C ATOM 0 H THR A 61 5.785 7.085 6.281 1.00 0.00 H new ATOM 0 HA THR A 61 5.875 8.148 3.517 1.00 0.00 H new ATOM 0 HB THR A 61 4.368 9.681 4.961 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.365 11.500 4.141 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.531 11.036 6.679 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.572 9.306 7.094 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.017 10.093 6.417 1.00 0.00 H new ATOM 928 N THR A 62 8.296 9.076 4.177 1.00 0.00 N ATOM 929 CA THR A 62 9.771 9.044 4.400 1.00 0.00 C ATOM 930 C THR A 62 10.298 7.628 4.154 1.00 0.00 C ATOM 931 O THR A 62 10.030 6.717 4.910 1.00 0.00 O ATOM 932 CB THR A 62 9.964 9.444 5.864 1.00 0.00 C ATOM 933 OG1 THR A 62 9.003 10.431 6.214 1.00 0.00 O ATOM 934 CG2 THR A 62 11.372 10.007 6.060 1.00 0.00 C ATOM 0 H THR A 62 7.975 9.750 3.482 1.00 0.00 H new ATOM 0 HA THR A 62 10.310 9.712 3.728 1.00 0.00 H new ATOM 0 HB THR A 62 9.834 8.569 6.500 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.124 10.687 7.152 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.508 10.292 7.103 1.00 0.00 H new ATOM 0 HG22 THR A 62 12.108 9.249 5.792 1.00 0.00 H new ATOM 0 HG23 THR A 62 11.505 10.883 5.425 1.00 0.00 H new ATOM 942 N ASP A 63 11.038 7.433 3.099 1.00 0.00 N ATOM 943 CA ASP A 63 11.566 6.071 2.808 1.00 0.00 C ATOM 944 C ASP A 63 10.403 5.098 2.594 1.00 0.00 C ATOM 945 O ASP A 63 9.478 5.042 3.381 1.00 0.00 O ATOM 946 CB ASP A 63 12.369 5.684 4.051 1.00 0.00 C ATOM 947 CG ASP A 63 13.495 4.727 3.656 1.00 0.00 C ATOM 948 OD1 ASP A 63 13.398 4.137 2.593 1.00 0.00 O ATOM 949 OD2 ASP A 63 14.434 4.600 4.425 1.00 0.00 O ATOM 0 H ASP A 63 11.300 8.155 2.428 1.00 0.00 H new ATOM 0 HA ASP A 63 12.178 6.044 1.906 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.784 6.576 4.521 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.717 5.211 4.785 1.00 0.00 H new ATOM 954 N ASP A 64 10.437 4.333 1.539 1.00 0.00 N ATOM 955 CA ASP A 64 9.325 3.366 1.282 1.00 0.00 C ATOM 956 C ASP A 64 8.014 4.105 0.965 1.00 0.00 C ATOM 957 O ASP A 64 7.571 4.123 -0.166 1.00 0.00 O ATOM 958 CB ASP A 64 9.185 2.571 2.582 1.00 0.00 C ATOM 959 CG ASP A 64 9.223 1.072 2.274 1.00 0.00 C ATOM 960 OD1 ASP A 64 10.015 0.681 1.433 1.00 0.00 O ATOM 961 OD2 ASP A 64 8.460 0.344 2.884 1.00 0.00 O ATOM 0 H ASP A 64 11.183 4.333 0.843 1.00 0.00 H new ATOM 0 HA ASP A 64 9.536 2.727 0.424 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.991 2.832 3.268 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.249 2.827 3.078 1.00 0.00 H new ATOM 966 N CYS A 65 7.382 4.715 1.943 1.00 0.00 N ATOM 967 CA CYS A 65 6.108 5.436 1.660 1.00 0.00 C ATOM 968 C CYS A 65 6.378 6.915 1.369 1.00 0.00 C ATOM 969 O CYS A 65 5.506 7.750 1.498 1.00 0.00 O ATOM 970 CB CYS A 65 5.282 5.285 2.933 1.00 0.00 C ATOM 971 SG CYS A 65 4.985 3.530 3.248 1.00 0.00 S ATOM 0 H CYS A 65 7.694 4.742 2.914 1.00 0.00 H new ATOM 0 HA CYS A 65 5.596 5.035 0.786 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.807 5.734 3.776 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.334 5.813 2.830 1.00 0.00 H new ATOM 976 N ASN A 66 7.576 7.245 0.974 1.00 0.00 N ATOM 977 CA ASN A 66 7.892 8.670 0.674 1.00 0.00 C ATOM 978 C ASN A 66 7.652 8.963 -0.808 1.00 0.00 C ATOM 979 O ASN A 66 8.037 10.033 -1.251 1.00 0.00 O ATOM 980 CB ASN A 66 9.371 8.829 1.022 1.00 0.00 C ATOM 981 CG ASN A 66 10.185 7.771 0.274 1.00 0.00 C ATOM 982 OD1 ASN A 66 9.904 6.594 0.366 1.00 0.00 O ATOM 983 ND2 ASN A 66 11.193 8.145 -0.467 1.00 0.00 N ATOM 984 OXT ASN A 66 7.084 8.113 -1.473 1.00 0.00 O ATOM 0 H ASN A 66 8.349 6.591 0.846 1.00 0.00 H new ATOM 0 HA ASN A 66 7.266 9.361 1.238 1.00 0.00 H new ATOM 0 HB2 ASN A 66 9.715 9.827 0.751 1.00 0.00 H new ATOM 0 HB3 ASN A 66 9.517 8.723 2.097 1.00 0.00 H new ATOM 0 HD21 ASN A 66 11.744 7.448 -0.968 1.00 0.00 H new ATOM 0 HD22 ASN A 66 11.430 9.134 -0.545 1.00 0.00 H new TER 991 ASN A 66