USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 406 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 43 SER OG : rot -83:sc= 0.0286 USER MOD Set 1.2: A 45 SER OG : rot 180:sc= 0.0299 USER MOD Set 2.1: A 16 ASN : amide:sc= 1.1 K(o=0.91,f=-3.5!) USER MOD Set 2.2: A 22 SER OG : rot 180:sc= -0.196 USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0.015 USER MOD Set 3.2: A 7 GLN : amide:sc= 0.454 K(o=0.47,f=-0.18) USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.119 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= 0.0605 (180deg=0.0118) USER MOD Single : A 14 TYR OH : rot 5:sc= 1.26 USER MOD Single : A 21 SER OG : rot 180:sc=-0.000934 USER MOD Single : A 24 TYR OH : rot 30:sc= -0.0011 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= 0.676 (180deg=0.563) USER MOD Single : A 50 THR OG1 : rot 180:sc=-0.00682 USER MOD Single : A 52 ASN : amide:sc= 0.866 K(o=0.87,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.235 -5.059 -4.311 1.00 25.00 N ATOM 2 CA GLY A 1 -5.298 -5.306 -5.426 1.00 25.00 C ATOM 3 C GLY A 1 -4.073 -4.450 -5.311 1.00 25.00 C ATOM 4 O GLY A 1 -3.882 -3.824 -4.280 1.00 25.00 O ATOM 0 H1 GLY A 1 -6.632 -5.963 -3.984 1.00 25.00 H new ATOM 0 H2 GLY A 1 -5.729 -4.600 -3.527 1.00 25.00 H new ATOM 0 H3 GLY A 1 -7.005 -4.440 -4.635 1.00 25.00 H new ATOM 0 HA2 GLY A 1 -5.010 -6.357 -5.435 1.00 25.00 H new ATOM 0 HA3 GLY A 1 -5.797 -5.104 -6.374 1.00 25.00 H new ATOM 10 N SER A 2 -3.242 -4.399 -6.341 1.00 25.00 N ATOM 11 CA SER A 2 -2.045 -3.561 -6.319 1.00 25.00 C ATOM 12 C SER A 2 -2.466 -2.114 -6.542 1.00 25.00 C ATOM 13 O SER A 2 -3.521 -1.867 -7.130 1.00 25.00 O ATOM 14 CB SER A 2 -1.095 -3.993 -7.434 1.00 25.00 C ATOM 15 OG SER A 2 -1.806 -4.148 -8.653 1.00 25.00 O ATOM 0 H SER A 2 -3.371 -4.927 -7.204 1.00 25.00 H new ATOM 0 HA SER A 2 -1.536 -3.662 -5.360 1.00 25.00 H new ATOM 0 HB2 SER A 2 -0.306 -3.251 -7.557 1.00 25.00 H new ATOM 0 HB3 SER A 2 -0.611 -4.932 -7.165 1.00 25.00 H new ATOM 0 HG SER A 2 -1.186 -4.423 -9.360 1.00 25.00 H new ATOM 21 N PRO A 3 -1.673 -1.140 -6.061 1.00 25.00 N ATOM 22 CA PRO A 3 -2.099 0.244 -6.287 1.00 25.00 C ATOM 23 C PRO A 3 -1.972 0.677 -7.752 1.00 25.00 C ATOM 24 O PRO A 3 -0.973 0.414 -8.409 1.00 25.00 O ATOM 25 CB PRO A 3 -1.145 1.037 -5.390 1.00 25.00 C ATOM 26 CG PRO A 3 0.096 0.212 -5.343 1.00 25.00 C ATOM 27 CD PRO A 3 -0.411 -1.202 -5.296 1.00 25.00 C ATOM 0 HA PRO A 3 -3.154 0.396 -6.059 1.00 25.00 H new ATOM 0 HB2 PRO A 3 -0.948 2.028 -5.799 1.00 25.00 H new ATOM 0 HB3 PRO A 3 -1.564 1.181 -4.394 1.00 25.00 H new ATOM 0 HG2 PRO A 3 0.723 0.383 -6.218 1.00 25.00 H new ATOM 0 HG3 PRO A 3 0.700 0.449 -4.467 1.00 25.00 H new ATOM 0 HD2 PRO A 3 0.297 -1.898 -5.746 1.00 25.00 H new ATOM 0 HD3 PRO A 3 -0.578 -1.535 -4.272 1.00 25.00 H new ATOM 35 N THR A 4 -3.000 1.329 -8.258 1.00 25.00 N ATOM 36 CA THR A 4 -3.081 1.710 -9.671 1.00 25.00 C ATOM 37 C THR A 4 -2.830 3.198 -9.893 1.00 25.00 C ATOM 38 O THR A 4 -3.041 3.717 -10.979 1.00 25.00 O ATOM 39 CB THR A 4 -4.499 1.380 -10.199 1.00 25.00 C ATOM 40 OG1 THR A 4 -5.449 1.943 -9.290 1.00 25.00 O ATOM 41 CG2 THR A 4 -4.730 -0.119 -10.247 1.00 25.00 C ATOM 0 H THR A 4 -3.809 1.614 -7.707 1.00 25.00 H new ATOM 0 HA THR A 4 -2.309 1.152 -10.201 1.00 25.00 H new ATOM 0 HB THR A 4 -4.605 1.786 -11.205 1.00 25.00 H new ATOM 0 HG1 THR A 4 -6.357 1.749 -9.604 1.00 25.00 H new ATOM 0 HG21 THR A 4 -5.734 -0.321 -10.621 1.00 25.00 H new ATOM 0 HG22 THR A 4 -3.996 -0.579 -10.909 1.00 25.00 H new ATOM 0 HG23 THR A 4 -4.626 -0.535 -9.245 1.00 25.00 H new ATOM 49 N PHE A 5 -2.370 3.890 -8.856 1.00 25.00 N ATOM 50 CA PHE A 5 -2.194 5.349 -8.908 1.00 25.00 C ATOM 51 C PHE A 5 -1.329 5.857 -10.065 1.00 25.00 C ATOM 52 O PHE A 5 -1.608 6.922 -10.617 1.00 25.00 O ATOM 53 CB PHE A 5 -1.569 5.814 -7.586 1.00 25.00 C ATOM 54 CG PHE A 5 -1.435 7.313 -7.464 1.00 25.00 C ATOM 55 CD1 PHE A 5 -0.226 7.947 -7.802 1.00 25.00 C ATOM 56 CD2 PHE A 5 -2.507 8.094 -6.993 1.00 25.00 C ATOM 57 CE1 PHE A 5 -0.069 9.344 -7.646 1.00 25.00 C ATOM 58 CE2 PHE A 5 -2.364 9.498 -6.842 1.00 25.00 C ATOM 59 CZ PHE A 5 -1.136 10.115 -7.169 1.00 25.00 C ATOM 0 H PHE A 5 -2.110 3.469 -7.964 1.00 25.00 H new ATOM 0 HA PHE A 5 -3.188 5.766 -9.073 1.00 25.00 H new ATOM 0 HB2 PHE A 5 -2.176 5.445 -6.759 1.00 25.00 H new ATOM 0 HB3 PHE A 5 -0.583 5.362 -7.483 1.00 25.00 H new ATOM 0 HD1 PHE A 5 0.594 7.359 -8.186 1.00 25.00 H new ATOM 0 HD2 PHE A 5 -3.446 7.621 -6.745 1.00 25.00 H new ATOM 0 HE1 PHE A 5 0.871 9.815 -7.894 1.00 25.00 H new ATOM 0 HE2 PHE A 5 -3.190 10.092 -6.479 1.00 25.00 H new ATOM 0 HZ PHE A 5 -1.020 11.182 -7.051 1.00 25.00 H new ATOM 69 N CYS A 6 -0.273 5.131 -10.412 1.00 25.00 N ATOM 70 CA CYS A 6 0.619 5.539 -11.512 1.00 25.00 C ATOM 71 C CYS A 6 0.567 4.560 -12.687 1.00 25.00 C ATOM 72 O CYS A 6 1.317 4.689 -13.649 1.00 25.00 O ATOM 73 CB CYS A 6 2.065 5.659 -11.014 1.00 25.00 C ATOM 74 SG CYS A 6 2.729 7.349 -11.146 1.00 25.00 S ATOM 0 H CYS A 6 -0.007 4.259 -9.955 1.00 25.00 H new ATOM 0 HA CYS A 6 0.268 6.509 -11.863 1.00 25.00 H new ATOM 0 HB2 CYS A 6 2.112 5.337 -9.974 1.00 25.00 H new ATOM 0 HB3 CYS A 6 2.698 4.981 -11.587 1.00 25.00 H new ATOM 79 N GLN A 7 -0.293 3.560 -12.608 1.00 25.00 N ATOM 80 CA GLN A 7 -0.384 2.563 -13.652 1.00 25.00 C ATOM 81 C GLN A 7 -1.022 3.171 -14.891 1.00 25.00 C ATOM 82 O GLN A 7 -2.128 3.693 -14.831 1.00 25.00 O ATOM 83 CB GLN A 7 -1.203 1.393 -13.158 1.00 25.00 C ATOM 84 CG GLN A 7 -0.410 0.378 -12.337 1.00 25.00 C ATOM 85 CD GLN A 7 -1.209 -0.860 -12.042 1.00 25.00 C ATOM 86 OE1 GLN A 7 -1.780 -1.462 -12.927 1.00 25.00 O ATOM 87 NE2 GLN A 7 -1.260 -1.248 -10.790 1.00 25.00 N ATOM 0 H GLN A 7 -0.937 3.420 -11.830 1.00 25.00 H new ATOM 0 HA GLN A 7 0.615 2.213 -13.912 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -2.027 1.770 -12.552 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -1.645 0.885 -14.015 1.00 25.00 H new ATOM 0 HG2 GLN A 7 0.496 0.104 -12.878 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -0.095 0.837 -11.400 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -0.768 -0.718 -10.071 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -1.792 -2.080 -10.535 1.00 25.00 H new ATOM 96 N GLY A 8 -0.305 3.123 -16.011 1.00 25.00 N ATOM 97 CA GLY A 8 -0.829 3.652 -17.262 1.00 25.00 C ATOM 98 C GLY A 8 -0.700 5.157 -17.387 1.00 25.00 C ATOM 99 O GLY A 8 -1.082 5.732 -18.397 1.00 25.00 O ATOM 0 H GLY A 8 0.632 2.726 -16.076 1.00 25.00 H new ATOM 0 HA2 GLY A 8 -0.305 3.181 -18.094 1.00 25.00 H new ATOM 0 HA3 GLY A 8 -1.880 3.377 -17.351 1.00 25.00 H new ATOM 103 N LYS A 9 -0.166 5.809 -16.357 1.00 25.00 N ATOM 104 CA LYS A 9 -0.008 7.254 -16.402 1.00 25.00 C ATOM 105 C LYS A 9 1.243 7.653 -17.143 1.00 25.00 C ATOM 106 O LYS A 9 2.284 7.019 -17.010 1.00 25.00 O ATOM 107 CB LYS A 9 0.050 7.846 -15.006 1.00 25.00 C ATOM 108 CG LYS A 9 -1.321 8.148 -14.452 1.00 25.00 C ATOM 109 CD LYS A 9 -1.176 8.983 -13.245 1.00 25.00 C ATOM 110 CE LYS A 9 -2.491 9.221 -12.568 1.00 25.00 C ATOM 111 NZ LYS A 9 -2.244 9.881 -11.247 1.00 25.00 N ATOM 0 H LYS A 9 0.158 5.367 -15.497 1.00 25.00 H new ATOM 0 HA LYS A 9 -0.879 7.643 -16.929 1.00 25.00 H new ATOM 0 HB2 LYS A 9 0.563 7.151 -14.341 1.00 25.00 H new ATOM 0 HB3 LYS A 9 0.640 8.762 -15.027 1.00 25.00 H new ATOM 0 HG2 LYS A 9 -1.923 8.666 -15.198 1.00 25.00 H new ATOM 0 HG3 LYS A 9 -1.842 7.222 -14.209 1.00 25.00 H new ATOM 0 HD2 LYS A 9 -0.492 8.498 -12.549 1.00 25.00 H new ATOM 0 HD3 LYS A 9 -0.729 9.939 -13.517 1.00 25.00 H new ATOM 0 HE2 LYS A 9 -3.127 9.850 -13.191 1.00 25.00 H new ATOM 0 HE3 LYS A 9 -3.018 8.277 -12.425 1.00 25.00 H new ATOM 0 HZ1 LYS A 9 -3.123 10.322 -10.909 1.00 25.00 H new ATOM 0 HZ2 LYS A 9 -1.926 9.170 -10.558 1.00 25.00 H new ATOM 0 HZ3 LYS A 9 -1.511 10.610 -11.355 1.00 25.00 H new ATOM 125 N ALA A 10 1.140 8.757 -17.868 1.00 25.00 N ATOM 126 CA ALA A 10 2.283 9.386 -18.509 1.00 25.00 C ATOM 127 C ALA A 10 3.184 9.937 -17.405 1.00 25.00 C ATOM 128 O ALA A 10 2.741 10.165 -16.264 1.00 25.00 O ATOM 129 CB ALA A 10 1.800 10.521 -19.441 1.00 25.00 C ATOM 0 H ALA A 10 0.258 9.243 -18.028 1.00 25.00 H new ATOM 0 HA ALA A 10 2.835 8.669 -19.117 1.00 25.00 H new ATOM 0 HB1 ALA A 10 2.660 10.990 -19.919 1.00 25.00 H new ATOM 0 HB2 ALA A 10 1.140 10.109 -20.204 1.00 25.00 H new ATOM 0 HB3 ALA A 10 1.259 11.266 -18.857 1.00 25.00 H new ATOM 135 N ASP A 11 4.446 10.142 -17.739 1.00 25.00 N ATOM 136 CA ASP A 11 5.412 10.722 -16.822 1.00 25.00 C ATOM 137 C ASP A 11 5.081 12.193 -16.514 1.00 25.00 C ATOM 138 O ASP A 11 4.136 12.761 -17.060 1.00 25.00 O ATOM 139 CB ASP A 11 6.823 10.593 -17.409 1.00 25.00 C ATOM 140 CG ASP A 11 6.976 11.305 -18.732 1.00 25.00 C ATOM 141 OD1 ASP A 11 7.776 12.264 -18.808 1.00 25.00 O ATOM 142 OD2 ASP A 11 6.342 10.866 -19.716 1.00 25.00 O ATOM 0 H ASP A 11 4.831 9.911 -18.655 1.00 25.00 H new ATOM 0 HA ASP A 11 5.366 10.175 -15.880 1.00 25.00 H new ATOM 0 HB2 ASP A 11 7.545 10.997 -16.699 1.00 25.00 H new ATOM 0 HB3 ASP A 11 7.061 9.538 -17.540 1.00 25.00 H new ATOM 147 N GLY A 12 5.845 12.787 -15.613 1.00 25.00 N ATOM 148 CA GLY A 12 5.603 14.152 -15.186 1.00 25.00 C ATOM 149 C GLY A 12 5.148 14.189 -13.748 1.00 25.00 C ATOM 150 O GLY A 12 5.086 13.151 -13.084 1.00 25.00 O ATOM 0 H GLY A 12 6.643 12.341 -15.161 1.00 25.00 H new ATOM 0 HA2 GLY A 12 6.513 14.741 -15.300 1.00 25.00 H new ATOM 0 HA3 GLY A 12 4.846 14.609 -15.824 1.00 25.00 H new ATOM 154 N LEU A 13 4.868 15.387 -13.237 1.00 25.00 N ATOM 155 CA LEU A 13 4.466 15.562 -11.840 1.00 25.00 C ATOM 156 C LEU A 13 2.957 15.738 -11.692 1.00 25.00 C ATOM 157 O LEU A 13 2.294 16.304 -12.561 1.00 25.00 O ATOM 158 CB LEU A 13 5.153 16.786 -11.244 1.00 25.00 C ATOM 159 CG LEU A 13 6.683 16.880 -11.263 1.00 25.00 C ATOM 160 CD1 LEU A 13 7.119 18.090 -10.471 1.00 25.00 C ATOM 161 CD2 LEU A 13 7.349 15.646 -10.714 1.00 25.00 C ATOM 0 H LEU A 13 4.912 16.255 -13.771 1.00 25.00 H new ATOM 0 HA LEU A 13 4.765 14.657 -11.311 1.00 25.00 H new ATOM 0 HB2 LEU A 13 4.766 17.663 -11.764 1.00 25.00 H new ATOM 0 HB3 LEU A 13 4.834 16.865 -10.205 1.00 25.00 H new ATOM 0 HG LEU A 13 6.992 16.972 -12.304 1.00 25.00 H new ATOM 0 HD11 LEU A 13 8.207 18.160 -10.482 1.00 25.00 H new ATOM 0 HD12 LEU A 13 6.693 18.989 -10.916 1.00 25.00 H new ATOM 0 HD13 LEU A 13 6.772 17.996 -9.442 1.00 25.00 H new ATOM 0 HD21 LEU A 13 8.431 15.769 -10.752 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.037 15.494 -9.681 1.00 25.00 H new ATOM 0 HD23 LEU A 13 7.061 14.781 -11.311 1.00 25.00 H new ATOM 173 N TYR A 14 2.422 15.288 -10.565 1.00 25.00 N ATOM 174 CA TYR A 14 0.995 15.362 -10.268 1.00 25.00 C ATOM 175 C TYR A 14 0.787 15.974 -8.867 1.00 25.00 C ATOM 176 O TYR A 14 1.670 15.861 -8.013 1.00 25.00 O ATOM 177 CB TYR A 14 0.391 13.950 -10.366 1.00 25.00 C ATOM 178 CG TYR A 14 0.445 13.366 -11.764 1.00 25.00 C ATOM 179 CD1 TYR A 14 1.591 12.689 -12.205 1.00 25.00 C ATOM 180 CD2 TYR A 14 -0.641 13.490 -12.652 1.00 25.00 C ATOM 181 CE1 TYR A 14 1.673 12.158 -13.527 1.00 25.00 C ATOM 182 CE2 TYR A 14 -0.568 12.947 -13.966 1.00 25.00 C ATOM 183 CZ TYR A 14 0.594 12.295 -14.394 1.00 25.00 C ATOM 184 OH TYR A 14 0.640 11.790 -15.672 1.00 25.00 O ATOM 0 H TYR A 14 2.972 14.856 -9.822 1.00 25.00 H new ATOM 0 HA TYR A 14 0.489 16.005 -10.988 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.923 13.288 -9.683 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -0.647 13.983 -10.034 1.00 25.00 H new ATOM 0 HD1 TYR A 14 2.427 12.567 -11.532 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -1.537 14.002 -12.333 1.00 25.00 H new ATOM 0 HE1 TYR A 14 2.569 11.652 -13.853 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -1.412 13.038 -14.634 1.00 25.00 H new ATOM 0 HH TYR A 14 1.472 11.287 -15.795 1.00 25.00 H new ATOM 194 N PRO A 15 -0.360 16.651 -8.633 1.00 25.00 N ATOM 195 CA PRO A 15 -0.518 17.346 -7.340 1.00 25.00 C ATOM 196 C PRO A 15 -0.669 16.435 -6.132 1.00 25.00 C ATOM 197 O PRO A 15 -1.240 15.355 -6.208 1.00 25.00 O ATOM 198 CB PRO A 15 -1.783 18.186 -7.552 1.00 25.00 C ATOM 199 CG PRO A 15 -2.556 17.419 -8.540 1.00 25.00 C ATOM 200 CD PRO A 15 -1.522 16.895 -9.504 1.00 25.00 C ATOM 0 HA PRO A 15 0.378 17.918 -7.099 1.00 25.00 H new ATOM 0 HB2 PRO A 15 -2.338 18.314 -6.623 1.00 25.00 H new ATOM 0 HB3 PRO A 15 -1.543 19.184 -7.920 1.00 25.00 H new ATOM 0 HG2 PRO A 15 -3.107 16.605 -8.068 1.00 25.00 H new ATOM 0 HG3 PRO A 15 -3.288 18.048 -9.046 1.00 25.00 H new ATOM 0 HD2 PRO A 15 -1.855 15.983 -9.999 1.00 25.00 H new ATOM 0 HD3 PRO A 15 -1.296 17.618 -10.287 1.00 25.00 H new ATOM 208 N ASN A 16 -0.137 16.905 -5.017 1.00 25.00 N ATOM 209 CA ASN A 16 -0.104 16.170 -3.754 1.00 25.00 C ATOM 210 C ASN A 16 -1.357 16.483 -2.907 1.00 25.00 C ATOM 211 O ASN A 16 -1.999 17.511 -3.100 1.00 25.00 O ATOM 212 CB ASN A 16 1.178 16.554 -3.006 1.00 25.00 C ATOM 213 CG ASN A 16 1.145 17.978 -2.503 1.00 25.00 C ATOM 214 OD1 ASN A 16 0.782 18.899 -3.205 1.00 25.00 O ATOM 215 ND2 ASN A 16 1.506 18.149 -1.275 1.00 25.00 N ATOM 0 H ASN A 16 0.295 17.827 -4.958 1.00 25.00 H new ATOM 0 HA ASN A 16 -0.107 15.097 -3.947 1.00 25.00 H new ATOM 0 HB2 ASN A 16 1.321 15.877 -2.164 1.00 25.00 H new ATOM 0 HB3 ASN A 16 2.034 16.425 -3.668 1.00 25.00 H new ATOM 0 HD21 ASN A 16 1.492 19.083 -0.865 1.00 25.00 H new ATOM 0 HD22 ASN A 16 1.805 17.350 -0.715 1.00 25.00 H new ATOM 222 N PRO A 17 -1.751 15.573 -1.987 1.00 25.00 N ATOM 223 CA PRO A 17 -3.018 15.777 -1.270 1.00 25.00 C ATOM 224 C PRO A 17 -2.976 16.573 0.047 1.00 25.00 C ATOM 225 O PRO A 17 -4.026 16.918 0.582 1.00 25.00 O ATOM 226 CB PRO A 17 -3.418 14.352 -0.939 1.00 25.00 C ATOM 227 CG PRO A 17 -2.126 13.693 -0.638 1.00 25.00 C ATOM 228 CD PRO A 17 -1.138 14.278 -1.624 1.00 25.00 C ATOM 0 HA PRO A 17 -3.683 16.374 -1.893 1.00 25.00 H new ATOM 0 HB2 PRO A 17 -4.097 14.313 -0.087 1.00 25.00 H new ATOM 0 HB3 PRO A 17 -3.928 13.873 -1.775 1.00 25.00 H new ATOM 0 HG2 PRO A 17 -1.817 13.885 0.389 1.00 25.00 H new ATOM 0 HG3 PRO A 17 -2.201 12.611 -0.751 1.00 25.00 H new ATOM 0 HD2 PRO A 17 -0.153 14.410 -1.177 1.00 25.00 H new ATOM 0 HD3 PRO A 17 -1.009 13.635 -2.495 1.00 25.00 H new ATOM 236 N ARG A 18 -1.798 16.713 0.645 1.00 25.00 N ATOM 237 CA ARG A 18 -1.699 17.231 2.030 1.00 25.00 C ATOM 238 C ARG A 18 -0.605 18.248 2.318 1.00 25.00 C ATOM 239 O ARG A 18 -0.854 19.256 2.971 1.00 25.00 O ATOM 240 CB ARG A 18 -1.504 16.039 2.991 1.00 25.00 C ATOM 241 CG ARG A 18 -1.623 16.377 4.483 1.00 25.00 C ATOM 242 CD ARG A 18 -1.305 15.156 5.341 1.00 25.00 C ATOM 243 NE ARG A 18 -1.458 15.453 6.768 1.00 25.00 N ATOM 244 CZ ARG A 18 -1.159 14.618 7.763 1.00 25.00 C ATOM 245 NH1 ARG A 18 -0.663 13.425 7.550 1.00 25.00 N ATOM 246 NH2 ARG A 18 -1.364 15.004 8.992 1.00 25.00 N ATOM 0 H ARG A 18 -0.904 16.483 0.212 1.00 25.00 H new ATOM 0 HA ARG A 18 -2.632 17.774 2.177 1.00 25.00 H new ATOM 0 HB2 ARG A 18 -2.241 15.273 2.748 1.00 25.00 H new ATOM 0 HB3 ARG A 18 -0.521 15.604 2.811 1.00 25.00 H new ATOM 0 HG2 ARG A 18 -0.941 17.190 4.732 1.00 25.00 H new ATOM 0 HG3 ARG A 18 -2.631 16.728 4.702 1.00 25.00 H new ATOM 0 HD2 ARG A 18 -1.965 14.334 5.066 1.00 25.00 H new ATOM 0 HD3 ARG A 18 -0.285 14.826 5.143 1.00 25.00 H new ATOM 0 HE ARG A 18 -1.822 16.372 7.020 1.00 25.00 H new ATOM 0 HH11 ARG A 18 -0.493 13.106 6.596 1.00 25.00 H new ATOM 0 HH12 ARG A 18 -0.447 12.814 8.338 1.00 25.00 H new ATOM 0 HH21 ARG A 18 -1.747 15.931 9.178 1.00 25.00 H new ATOM 0 HH22 ARG A 18 -1.141 14.379 9.767 1.00 25.00 H new ATOM 260 N GLU A 19 0.618 17.939 1.927 1.00 25.00 N ATOM 261 CA GLU A 19 1.764 18.764 2.314 1.00 25.00 C ATOM 262 C GLU A 19 1.824 20.073 1.547 1.00 25.00 C ATOM 263 O GLU A 19 1.185 20.233 0.520 1.00 25.00 O ATOM 264 CB GLU A 19 3.068 17.991 2.135 1.00 25.00 C ATOM 265 CG GLU A 19 3.105 16.684 2.916 1.00 25.00 C ATOM 266 CD GLU A 19 2.767 16.904 4.381 1.00 25.00 C ATOM 267 OE1 GLU A 19 1.907 16.166 4.914 1.00 25.00 O ATOM 268 OE2 GLU A 19 3.312 17.857 4.985 1.00 25.00 O ATOM 0 H GLU A 19 0.849 17.132 1.347 1.00 25.00 H new ATOM 0 HA GLU A 19 1.632 19.011 3.367 1.00 25.00 H new ATOM 0 HB2 GLU A 19 3.214 17.778 1.076 1.00 25.00 H new ATOM 0 HB3 GLU A 19 3.901 18.619 2.451 1.00 25.00 H new ATOM 0 HG2 GLU A 19 2.398 15.978 2.480 1.00 25.00 H new ATOM 0 HG3 GLU A 19 4.095 16.236 2.833 1.00 25.00 H new ATOM 275 N ARG A 20 2.616 21.017 2.043 1.00 25.00 N ATOM 276 CA ARG A 20 2.682 22.342 1.430 1.00 25.00 C ATOM 277 C ARG A 20 3.269 22.382 0.016 1.00 25.00 C ATOM 278 O ARG A 20 2.746 23.086 -0.840 1.00 25.00 O ATOM 279 CB ARG A 20 3.488 23.276 2.337 1.00 25.00 C ATOM 280 CG ARG A 20 3.459 24.754 1.923 1.00 25.00 C ATOM 281 CD ARG A 20 2.038 25.297 1.950 1.00 25.00 C ATOM 282 NE ARG A 20 1.994 26.759 1.833 1.00 25.00 N ATOM 283 CZ ARG A 20 1.995 27.616 2.852 1.00 25.00 C ATOM 284 NH1 ARG A 20 2.050 27.236 4.108 1.00 25.00 N ATOM 285 NH2 ARG A 20 1.955 28.888 2.601 1.00 25.00 N ATOM 0 H ARG A 20 3.216 20.894 2.859 1.00 25.00 H new ATOM 0 HA ARG A 20 1.647 22.666 1.324 1.00 25.00 H new ATOM 0 HB2 ARG A 20 3.107 23.190 3.355 1.00 25.00 H new ATOM 0 HB3 ARG A 20 4.524 22.938 2.355 1.00 25.00 H new ATOM 0 HG2 ARG A 20 4.088 25.337 2.596 1.00 25.00 H new ATOM 0 HG3 ARG A 20 3.876 24.864 0.922 1.00 25.00 H new ATOM 0 HD2 ARG A 20 1.467 24.853 1.135 1.00 25.00 H new ATOM 0 HD3 ARG A 20 1.554 24.995 2.879 1.00 25.00 H new ATOM 0 HE ARG A 20 1.960 27.152 0.892 1.00 25.00 H new ATOM 0 HH11 ARG A 20 2.095 26.244 4.339 1.00 25.00 H new ATOM 0 HH12 ARG A 20 2.048 27.933 4.852 1.00 25.00 H new ATOM 0 HH21 ARG A 20 1.923 29.217 1.636 1.00 25.00 H new ATOM 0 HH22 ARG A 20 1.955 29.560 3.369 1.00 25.00 H new ATOM 299 N SER A 21 4.367 21.669 -0.203 1.00 25.00 N ATOM 300 CA SER A 21 5.083 21.727 -1.487 1.00 25.00 C ATOM 301 C SER A 21 5.685 20.399 -1.954 1.00 25.00 C ATOM 302 O SER A 21 6.754 20.376 -2.555 1.00 25.00 O ATOM 303 CB SER A 21 6.215 22.748 -1.403 1.00 25.00 C ATOM 304 OG SER A 21 5.755 23.982 -0.872 1.00 25.00 O ATOM 0 H SER A 21 4.786 21.043 0.485 1.00 25.00 H new ATOM 0 HA SER A 21 4.323 22.006 -2.217 1.00 25.00 H new ATOM 0 HB2 SER A 21 7.016 22.356 -0.777 1.00 25.00 H new ATOM 0 HB3 SER A 21 6.636 22.910 -2.395 1.00 25.00 H new ATOM 0 HG SER A 21 6.500 24.617 -0.828 1.00 25.00 H new ATOM 310 N SER A 22 5.015 19.291 -1.684 1.00 25.00 N ATOM 311 CA SER A 22 5.499 17.997 -2.186 1.00 25.00 C ATOM 312 C SER A 22 4.710 17.696 -3.447 1.00 25.00 C ATOM 313 O SER A 22 3.773 18.404 -3.781 1.00 25.00 O ATOM 314 CB SER A 22 5.352 16.882 -1.139 1.00 25.00 C ATOM 315 OG SER A 22 3.990 16.580 -0.874 1.00 25.00 O ATOM 0 H SER A 22 4.156 19.250 -1.136 1.00 25.00 H new ATOM 0 HA SER A 22 6.566 18.046 -2.403 1.00 25.00 H new ATOM 0 HB2 SER A 22 5.861 15.985 -1.491 1.00 25.00 H new ATOM 0 HB3 SER A 22 5.843 17.185 -0.214 1.00 25.00 H new ATOM 0 HG SER A 22 3.937 15.866 -0.205 1.00 25.00 H new ATOM 321 N PHE A 23 5.098 16.664 -4.169 1.00 25.00 N ATOM 322 CA PHE A 23 4.396 16.269 -5.382 1.00 25.00 C ATOM 323 C PHE A 23 4.471 14.769 -5.549 1.00 25.00 C ATOM 324 O PHE A 23 5.241 14.084 -4.873 1.00 25.00 O ATOM 325 CB PHE A 23 5.004 16.948 -6.606 1.00 25.00 C ATOM 326 CG PHE A 23 6.490 16.742 -6.749 1.00 25.00 C ATOM 327 CD1 PHE A 23 7.359 17.802 -6.470 1.00 25.00 C ATOM 328 CD2 PHE A 23 7.035 15.523 -7.189 1.00 25.00 C ATOM 329 CE1 PHE A 23 8.764 17.656 -6.615 1.00 25.00 C ATOM 330 CE2 PHE A 23 8.434 15.364 -7.349 1.00 25.00 C ATOM 331 CZ PHE A 23 9.296 16.434 -7.053 1.00 25.00 C ATOM 0 H PHE A 23 5.900 16.078 -3.938 1.00 25.00 H new ATOM 0 HA PHE A 23 3.355 16.578 -5.293 1.00 25.00 H new ATOM 0 HB2 PHE A 23 4.508 16.572 -7.501 1.00 25.00 H new ATOM 0 HB3 PHE A 23 4.800 18.017 -6.554 1.00 25.00 H new ATOM 0 HD1 PHE A 23 6.955 18.747 -6.139 1.00 25.00 H new ATOM 0 HD2 PHE A 23 6.377 14.695 -7.408 1.00 25.00 H new ATOM 0 HE1 PHE A 23 9.421 18.483 -6.389 1.00 25.00 H new ATOM 0 HE2 PHE A 23 8.836 14.424 -7.697 1.00 25.00 H new ATOM 0 HZ PHE A 23 10.364 16.316 -7.162 1.00 25.00 H new ATOM 341 N TYR A 24 3.737 14.293 -6.536 1.00 25.00 N ATOM 342 CA TYR A 24 3.854 12.913 -6.983 1.00 25.00 C ATOM 343 C TYR A 24 4.593 13.022 -8.296 1.00 25.00 C ATOM 344 O TYR A 24 4.431 14.009 -9.003 1.00 25.00 O ATOM 345 CB TYR A 24 2.488 12.294 -7.272 1.00 25.00 C ATOM 346 CG TYR A 24 1.614 12.019 -6.082 1.00 25.00 C ATOM 347 CD1 TYR A 24 1.845 10.911 -5.254 1.00 25.00 C ATOM 348 CD2 TYR A 24 0.511 12.841 -5.810 1.00 25.00 C ATOM 349 CE1 TYR A 24 0.972 10.615 -4.175 1.00 25.00 C ATOM 350 CE2 TYR A 24 -0.366 12.546 -4.731 1.00 25.00 C ATOM 351 CZ TYR A 24 -0.128 11.429 -3.928 1.00 25.00 C ATOM 352 OH TYR A 24 -0.971 11.113 -2.902 1.00 25.00 O ATOM 0 H TYR A 24 3.048 14.844 -7.048 1.00 25.00 H new ATOM 0 HA TYR A 24 4.342 12.295 -6.229 1.00 25.00 H new ATOM 0 HB2 TYR A 24 1.948 12.958 -7.946 1.00 25.00 H new ATOM 0 HB3 TYR A 24 2.644 11.356 -7.805 1.00 25.00 H new ATOM 0 HD1 TYR A 24 2.698 10.275 -5.440 1.00 25.00 H new ATOM 0 HD2 TYR A 24 0.326 13.708 -6.427 1.00 25.00 H new ATOM 0 HE1 TYR A 24 1.162 9.758 -3.546 1.00 25.00 H new ATOM 0 HE2 TYR A 24 -1.214 13.184 -4.533 1.00 25.00 H new ATOM 0 HH TYR A 24 -0.470 10.654 -2.196 1.00 25.00 H new ATOM 362 N SER A 25 5.385 12.023 -8.626 1.00 25.00 N ATOM 363 CA SER A 25 6.113 11.994 -9.880 1.00 25.00 C ATOM 364 C SER A 25 5.917 10.603 -10.440 1.00 25.00 C ATOM 365 O SER A 25 5.902 9.631 -9.681 1.00 25.00 O ATOM 366 CB SER A 25 7.596 12.265 -9.626 1.00 25.00 C ATOM 367 OG SER A 25 8.359 12.158 -10.818 1.00 25.00 O ATOM 0 H SER A 25 5.543 11.208 -8.033 1.00 25.00 H new ATOM 0 HA SER A 25 5.757 12.754 -10.575 1.00 25.00 H new ATOM 0 HB2 SER A 25 7.717 13.263 -9.204 1.00 25.00 H new ATOM 0 HB3 SER A 25 7.974 11.559 -8.887 1.00 25.00 H new ATOM 0 HG SER A 25 9.302 12.339 -10.620 1.00 25.00 H new ATOM 373 N CYS A 26 5.722 10.494 -11.746 1.00 25.00 N ATOM 374 CA CYS A 26 5.541 9.196 -12.380 1.00 25.00 C ATOM 375 C CYS A 26 6.694 8.963 -13.335 1.00 25.00 C ATOM 376 O CYS A 26 7.016 9.832 -14.135 1.00 25.00 O ATOM 377 CB CYS A 26 4.189 9.142 -13.112 1.00 25.00 C ATOM 378 SG CYS A 26 3.397 7.502 -13.059 1.00 25.00 S ATOM 0 H CYS A 26 5.685 11.287 -12.386 1.00 25.00 H new ATOM 0 HA CYS A 26 5.534 8.407 -11.627 1.00 25.00 H new ATOM 0 HB2 CYS A 26 3.516 9.876 -12.669 1.00 25.00 H new ATOM 0 HB3 CYS A 26 4.337 9.432 -14.152 1.00 25.00 H new ATOM 383 N ALA A 27 7.334 7.809 -13.229 1.00 25.00 N ATOM 384 CA ALA A 27 8.456 7.460 -14.100 1.00 25.00 C ATOM 385 C ALA A 27 8.307 5.996 -14.487 1.00 25.00 C ATOM 386 O ALA A 27 8.343 5.127 -13.624 1.00 25.00 O ATOM 387 CB ALA A 27 9.792 7.703 -13.373 1.00 25.00 C ATOM 0 H ALA A 27 7.097 7.091 -12.545 1.00 25.00 H new ATOM 0 HA ALA A 27 8.453 8.083 -14.995 1.00 25.00 H new ATOM 0 HB1 ALA A 27 10.619 7.439 -14.033 1.00 25.00 H new ATOM 0 HB2 ALA A 27 9.870 8.754 -13.097 1.00 25.00 H new ATOM 0 HB3 ALA A 27 9.834 7.088 -12.474 1.00 25.00 H new ATOM 393 N ALA A 28 8.080 5.741 -15.773 1.00 25.00 N ATOM 394 CA ALA A 28 7.882 4.379 -16.304 1.00 25.00 C ATOM 395 C ALA A 28 6.772 3.611 -15.544 1.00 25.00 C ATOM 396 O ALA A 28 6.893 2.421 -15.271 1.00 25.00 O ATOM 397 CB ALA A 28 9.210 3.595 -16.283 1.00 25.00 C ATOM 0 H ALA A 28 8.027 6.470 -16.485 1.00 25.00 H new ATOM 0 HA ALA A 28 7.549 4.476 -17.337 1.00 25.00 H new ATOM 0 HB1 ALA A 28 9.047 2.592 -16.678 1.00 25.00 H new ATOM 0 HB2 ALA A 28 9.947 4.112 -16.898 1.00 25.00 H new ATOM 0 HB3 ALA A 28 9.576 3.526 -15.259 1.00 25.00 H new ATOM 403 N GLY A 29 5.709 4.315 -15.183 1.00 25.00 N ATOM 404 CA GLY A 29 4.602 3.696 -14.450 1.00 25.00 C ATOM 405 C GLY A 29 4.858 3.449 -12.977 1.00 25.00 C ATOM 406 O GLY A 29 3.999 2.915 -12.264 1.00 25.00 O ATOM 0 H GLY A 29 5.585 5.308 -15.381 1.00 25.00 H new ATOM 0 HA2 GLY A 29 3.723 4.333 -14.547 1.00 25.00 H new ATOM 0 HA3 GLY A 29 4.361 2.745 -14.924 1.00 25.00 H new ATOM 410 N ARG A 30 6.025 3.846 -12.491 1.00 25.00 N ATOM 411 CA ARG A 30 6.374 3.706 -11.078 1.00 25.00 C ATOM 412 C ARG A 30 6.125 5.041 -10.412 1.00 25.00 C ATOM 413 O ARG A 30 6.272 6.078 -11.048 1.00 25.00 O ATOM 414 CB ARG A 30 7.842 3.315 -10.921 1.00 25.00 C ATOM 415 CG ARG A 30 8.226 2.037 -11.656 1.00 25.00 C ATOM 416 CD ARG A 30 7.569 0.789 -11.030 1.00 25.00 C ATOM 417 NE ARG A 30 7.987 -0.443 -11.722 1.00 25.00 N ATOM 418 CZ ARG A 30 7.767 -1.680 -11.290 1.00 25.00 C ATOM 419 NH1 ARG A 30 8.176 -2.686 -12.010 1.00 25.00 N ATOM 420 NH2 ARG A 30 7.149 -1.928 -10.157 1.00 25.00 N ATOM 0 H ARG A 30 6.756 4.273 -13.059 1.00 25.00 H new ATOM 0 HA ARG A 30 5.770 2.923 -10.619 1.00 25.00 H new ATOM 0 HB2 ARG A 30 8.466 4.132 -11.284 1.00 25.00 H new ATOM 0 HB3 ARG A 30 8.063 3.192 -9.861 1.00 25.00 H new ATOM 0 HG2 ARG A 30 7.929 2.117 -12.702 1.00 25.00 H new ATOM 0 HG3 ARG A 30 9.310 1.922 -11.641 1.00 25.00 H new ATOM 0 HD2 ARG A 30 7.838 0.725 -9.976 1.00 25.00 H new ATOM 0 HD3 ARG A 30 6.484 0.885 -11.077 1.00 25.00 H new ATOM 0 HE ARG A 30 8.486 -0.337 -12.605 1.00 25.00 H new ATOM 0 HH11 ARG A 30 8.658 -2.518 -12.893 1.00 25.00 H new ATOM 0 HH12 ARG A 30 8.014 -3.641 -11.691 1.00 25.00 H new ATOM 0 HH21 ARG A 30 6.820 -1.157 -9.576 1.00 25.00 H new ATOM 0 HH22 ARG A 30 6.998 -2.892 -9.858 1.00 25.00 H new ATOM 434 N LEU A 31 5.743 5.002 -9.146 1.00 25.00 N ATOM 435 CA LEU A 31 5.403 6.214 -8.414 1.00 25.00 C ATOM 436 C LEU A 31 6.540 6.658 -7.513 1.00 25.00 C ATOM 437 O LEU A 31 7.067 5.883 -6.735 1.00 25.00 O ATOM 438 CB LEU A 31 4.172 5.958 -7.536 1.00 25.00 C ATOM 439 CG LEU A 31 3.686 7.170 -6.722 1.00 25.00 C ATOM 440 CD1 LEU A 31 3.306 8.316 -7.649 1.00 25.00 C ATOM 441 CD2 LEU A 31 2.486 6.748 -5.866 1.00 25.00 C ATOM 0 H LEU A 31 5.660 4.143 -8.602 1.00 25.00 H new ATOM 0 HA LEU A 31 5.204 6.995 -9.148 1.00 25.00 H new ATOM 0 HB2 LEU A 31 3.356 5.617 -8.173 1.00 25.00 H new ATOM 0 HB3 LEU A 31 4.400 5.145 -6.847 1.00 25.00 H new ATOM 0 HG LEU A 31 4.489 7.518 -6.072 1.00 25.00 H new ATOM 0 HD11 LEU A 31 2.964 9.165 -7.057 1.00 25.00 H new ATOM 0 HD12 LEU A 31 4.174 8.610 -8.238 1.00 25.00 H new ATOM 0 HD13 LEU A 31 2.507 7.994 -8.317 1.00 25.00 H new ATOM 0 HD21 LEU A 31 2.135 7.601 -5.286 1.00 25.00 H new ATOM 0 HD22 LEU A 31 1.683 6.395 -6.513 1.00 25.00 H new ATOM 0 HD23 LEU A 31 2.785 5.947 -5.189 1.00 25.00 H new ATOM 453 N PHE A 32 6.845 7.939 -7.582 1.00 25.00 N ATOM 454 CA PHE A 32 7.761 8.578 -6.645 1.00 25.00 C ATOM 455 C PHE A 32 6.970 9.675 -5.938 1.00 25.00 C ATOM 456 O PHE A 32 6.121 10.311 -6.552 1.00 25.00 O ATOM 457 CB PHE A 32 8.955 9.180 -7.375 1.00 25.00 C ATOM 458 CG PHE A 32 9.953 8.159 -7.830 1.00 25.00 C ATOM 459 CD1 PHE A 32 9.730 7.410 -8.991 1.00 25.00 C ATOM 460 CD2 PHE A 32 11.128 7.953 -7.089 1.00 25.00 C ATOM 461 CE1 PHE A 32 10.688 6.450 -9.428 1.00 25.00 C ATOM 462 CE2 PHE A 32 12.089 7.007 -7.506 1.00 25.00 C ATOM 463 CZ PHE A 32 11.871 6.254 -8.683 1.00 25.00 C ATOM 0 H PHE A 32 6.467 8.570 -8.288 1.00 25.00 H new ATOM 0 HA PHE A 32 8.152 7.849 -5.935 1.00 25.00 H new ATOM 0 HB2 PHE A 32 8.598 9.739 -8.240 1.00 25.00 H new ATOM 0 HB3 PHE A 32 9.451 9.894 -6.717 1.00 25.00 H new ATOM 0 HD1 PHE A 32 8.825 7.561 -9.560 1.00 25.00 H new ATOM 0 HD2 PHE A 32 11.298 8.525 -6.189 1.00 25.00 H new ATOM 0 HE1 PHE A 32 10.510 5.875 -10.325 1.00 25.00 H new ATOM 0 HE2 PHE A 32 12.989 6.859 -6.927 1.00 25.00 H new ATOM 0 HZ PHE A 32 12.605 5.533 -9.010 1.00 25.00 H new ATOM 473 N GLN A 33 7.228 9.867 -4.656 1.00 25.00 N ATOM 474 CA GLN A 33 6.633 10.964 -3.898 1.00 25.00 C ATOM 475 C GLN A 33 7.817 11.753 -3.347 1.00 25.00 C ATOM 476 O GLN A 33 8.652 11.198 -2.623 1.00 25.00 O ATOM 477 CB GLN A 33 5.716 10.422 -2.800 1.00 25.00 C ATOM 478 CG GLN A 33 4.405 9.840 -3.355 1.00 25.00 C ATOM 479 CD GLN A 33 3.735 8.877 -2.388 1.00 25.00 C ATOM 480 OE1 GLN A 33 3.740 7.676 -2.603 1.00 25.00 O ATOM 481 NE2 GLN A 33 3.156 9.396 -1.335 1.00 25.00 N ATOM 0 H GLN A 33 7.852 9.273 -4.110 1.00 25.00 H new ATOM 0 HA GLN A 33 5.997 11.605 -4.508 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.243 9.650 -2.240 1.00 25.00 H new ATOM 0 HB3 GLN A 33 5.485 11.223 -2.098 1.00 25.00 H new ATOM 0 HG2 GLN A 33 3.718 10.655 -3.584 1.00 25.00 H new ATOM 0 HG3 GLN A 33 4.610 9.323 -4.293 1.00 25.00 H new ATOM 0 HE21 GLN A 33 3.173 10.405 -1.189 1.00 25.00 H new ATOM 0 HE22 GLN A 33 2.688 8.791 -0.660 1.00 25.00 H new ATOM 490 N GLN A 34 7.963 12.995 -3.777 1.00 25.00 N ATOM 491 CA GLN A 34 9.165 13.786 -3.462 1.00 25.00 C ATOM 492 C GLN A 34 8.765 15.222 -3.146 1.00 25.00 C ATOM 493 O GLN A 34 7.608 15.592 -3.316 1.00 25.00 O ATOM 494 CB GLN A 34 10.126 13.758 -4.655 1.00 25.00 C ATOM 495 CG GLN A 34 10.665 12.381 -5.010 1.00 25.00 C ATOM 496 CD GLN A 34 11.426 12.395 -6.304 1.00 25.00 C ATOM 497 OE1 GLN A 34 10.866 12.634 -7.365 1.00 25.00 O ATOM 498 NE2 GLN A 34 12.701 12.136 -6.230 1.00 25.00 N ATOM 0 H GLN A 34 7.272 13.486 -4.344 1.00 25.00 H new ATOM 0 HA GLN A 34 9.665 13.358 -2.593 1.00 25.00 H new ATOM 0 HB2 GLN A 34 9.613 14.167 -5.526 1.00 25.00 H new ATOM 0 HB3 GLN A 34 10.967 14.417 -4.441 1.00 25.00 H new ATOM 0 HG2 GLN A 34 11.316 12.028 -4.210 1.00 25.00 H new ATOM 0 HG3 GLN A 34 9.838 11.675 -5.083 1.00 25.00 H new ATOM 0 HE21 GLN A 34 13.130 11.942 -5.325 1.00 25.00 H new ATOM 0 HE22 GLN A 34 13.270 12.128 -7.077 1.00 25.00 H new ATOM 507 N SER A 35 9.716 16.022 -2.662 1.00 25.00 N ATOM 508 CA SER A 35 9.442 17.407 -2.275 1.00 25.00 C ATOM 509 C SER A 35 10.091 18.440 -3.206 1.00 25.00 C ATOM 510 O SER A 35 11.124 18.185 -3.811 1.00 25.00 O ATOM 511 CB SER A 35 9.946 17.640 -0.848 1.00 25.00 C ATOM 512 OG SER A 35 11.323 17.315 -0.756 1.00 25.00 O ATOM 0 H SER A 35 10.685 15.734 -2.528 1.00 25.00 H new ATOM 0 HA SER A 35 8.363 17.546 -2.345 1.00 25.00 H new ATOM 0 HB2 SER A 35 9.791 18.681 -0.565 1.00 25.00 H new ATOM 0 HB3 SER A 35 9.374 17.031 -0.148 1.00 25.00 H new ATOM 0 HG SER A 35 11.635 17.469 0.160 1.00 25.00 H new ATOM 518 N CYS A 36 9.505 19.632 -3.233 1.00 25.00 N ATOM 519 CA CYS A 36 10.073 20.806 -3.897 1.00 25.00 C ATOM 520 C CYS A 36 10.361 21.806 -2.773 1.00 25.00 C ATOM 521 O CYS A 36 9.461 22.513 -2.336 1.00 25.00 O ATOM 522 CB CYS A 36 9.085 21.390 -4.908 1.00 25.00 C ATOM 523 SG CYS A 36 9.636 21.129 -6.617 1.00 25.00 S ATOM 0 H CYS A 36 8.606 19.816 -2.787 1.00 25.00 H new ATOM 0 HA CYS A 36 10.974 20.558 -4.458 1.00 25.00 H new ATOM 0 HB2 CYS A 36 8.107 20.930 -4.767 1.00 25.00 H new ATOM 0 HB3 CYS A 36 8.965 22.458 -4.724 1.00 25.00 H new ATOM 528 N PRO A 37 11.567 21.759 -2.186 1.00 25.00 N ATOM 529 CA PRO A 37 11.731 22.492 -0.919 1.00 25.00 C ATOM 530 C PRO A 37 11.972 24.012 -0.966 1.00 25.00 C ATOM 531 O PRO A 37 11.341 24.746 -0.222 1.00 25.00 O ATOM 532 CB PRO A 37 12.924 21.776 -0.272 1.00 25.00 C ATOM 533 CG PRO A 37 13.750 21.340 -1.434 1.00 25.00 C ATOM 534 CD PRO A 37 12.746 20.930 -2.490 1.00 25.00 C ATOM 0 HA PRO A 37 10.784 22.466 -0.379 1.00 25.00 H new ATOM 0 HB2 PRO A 37 13.481 22.442 0.387 1.00 25.00 H new ATOM 0 HB3 PRO A 37 12.602 20.927 0.331 1.00 25.00 H new ATOM 0 HG2 PRO A 37 14.390 22.147 -1.789 1.00 25.00 H new ATOM 0 HG3 PRO A 37 14.403 20.510 -1.166 1.00 25.00 H new ATOM 0 HD2 PRO A 37 13.121 21.120 -3.496 1.00 25.00 H new ATOM 0 HD3 PRO A 37 12.514 19.866 -2.432 1.00 25.00 H new ATOM 542 N THR A 38 12.955 24.470 -1.733 1.00 25.00 N ATOM 543 CA THR A 38 13.375 25.875 -1.673 1.00 25.00 C ATOM 544 C THR A 38 12.910 26.746 -2.838 1.00 25.00 C ATOM 545 O THR A 38 13.452 26.663 -3.938 1.00 25.00 O ATOM 546 CB THR A 38 14.866 25.958 -1.560 1.00 25.00 C ATOM 547 OG1 THR A 38 15.318 24.974 -0.620 1.00 25.00 O ATOM 548 CG2 THR A 38 15.325 27.325 -1.082 1.00 25.00 C ATOM 0 H THR A 38 13.475 23.899 -2.399 1.00 25.00 H new ATOM 0 HA THR A 38 12.883 26.278 -0.788 1.00 25.00 H new ATOM 0 HB THR A 38 15.285 25.783 -2.551 1.00 25.00 H new ATOM 0 HG1 THR A 38 16.294 25.021 -0.541 1.00 25.00 H new ATOM 0 HG21 THR A 38 16.413 27.340 -1.014 1.00 25.00 H new ATOM 0 HG22 THR A 38 14.994 28.087 -1.788 1.00 25.00 H new ATOM 0 HG23 THR A 38 14.898 27.530 -0.100 1.00 25.00 H new ATOM 556 N GLY A 39 11.937 27.614 -2.582 1.00 25.00 N ATOM 557 CA GLY A 39 11.473 28.576 -3.587 1.00 25.00 C ATOM 558 C GLY A 39 10.675 27.961 -4.717 1.00 25.00 C ATOM 559 O GLY A 39 10.173 28.662 -5.594 1.00 25.00 O ATOM 0 H GLY A 39 11.451 27.675 -1.687 1.00 25.00 H new ATOM 0 HA2 GLY A 39 10.860 29.331 -3.094 1.00 25.00 H new ATOM 0 HA3 GLY A 39 12.337 29.091 -4.007 1.00 25.00 H new ATOM 563 N LEU A 40 10.590 26.640 -4.702 1.00 25.00 N ATOM 564 CA LEU A 40 9.954 25.870 -5.760 1.00 25.00 C ATOM 565 C LEU A 40 8.488 25.579 -5.418 1.00 25.00 C ATOM 566 O LEU A 40 8.170 25.183 -4.298 1.00 25.00 O ATOM 567 CB LEU A 40 10.699 24.544 -5.908 1.00 25.00 C ATOM 568 CG LEU A 40 12.089 24.600 -6.561 1.00 25.00 C ATOM 569 CD1 LEU A 40 12.880 23.356 -6.203 1.00 25.00 C ATOM 570 CD2 LEU A 40 11.963 24.696 -8.073 1.00 25.00 C ATOM 0 H LEU A 40 10.965 26.066 -3.947 1.00 25.00 H new ATOM 0 HA LEU A 40 9.988 26.443 -6.686 1.00 25.00 H new ATOM 0 HB2 LEU A 40 10.806 24.102 -4.917 1.00 25.00 H new ATOM 0 HB3 LEU A 40 10.076 23.867 -6.493 1.00 25.00 H new ATOM 0 HG LEU A 40 12.608 25.484 -6.189 1.00 25.00 H new ATOM 0 HD11 LEU A 40 13.864 23.404 -6.670 1.00 25.00 H new ATOM 0 HD12 LEU A 40 12.994 23.296 -5.121 1.00 25.00 H new ATOM 0 HD13 LEU A 40 12.351 22.473 -6.561 1.00 25.00 H new ATOM 0 HD21 LEU A 40 12.957 24.735 -8.519 1.00 25.00 H new ATOM 0 HD22 LEU A 40 11.430 23.823 -8.450 1.00 25.00 H new ATOM 0 HD23 LEU A 40 11.412 25.599 -8.336 1.00 25.00 H new ATOM 582 N VAL A 41 7.612 25.736 -6.401 1.00 25.00 N ATOM 583 CA VAL A 41 6.192 25.436 -6.242 1.00 25.00 C ATOM 584 C VAL A 41 5.742 24.576 -7.423 1.00 25.00 C ATOM 585 O VAL A 41 6.299 24.672 -8.525 1.00 25.00 O ATOM 586 CB VAL A 41 5.342 26.740 -6.161 1.00 25.00 C ATOM 587 CG1 VAL A 41 5.684 27.528 -4.882 1.00 25.00 C ATOM 588 CG2 VAL A 41 5.563 27.643 -7.412 1.00 25.00 C ATOM 0 H VAL A 41 7.863 26.074 -7.330 1.00 25.00 H new ATOM 0 HA VAL A 41 6.042 24.896 -5.307 1.00 25.00 H new ATOM 0 HB VAL A 41 4.293 26.447 -6.133 1.00 25.00 H new ATOM 0 HG11 VAL A 41 5.081 28.435 -4.842 1.00 25.00 H new ATOM 0 HG12 VAL A 41 5.472 26.912 -4.008 1.00 25.00 H new ATOM 0 HG13 VAL A 41 6.741 27.794 -4.890 1.00 25.00 H new ATOM 0 HG21 VAL A 41 4.955 28.543 -7.323 1.00 25.00 H new ATOM 0 HG22 VAL A 41 6.615 27.920 -7.479 1.00 25.00 H new ATOM 0 HG23 VAL A 41 5.273 27.098 -8.310 1.00 25.00 H new ATOM 598 N PHE A 42 4.760 23.718 -7.194 1.00 25.00 N ATOM 599 CA PHE A 42 4.238 22.869 -8.252 1.00 25.00 C ATOM 600 C PHE A 42 3.255 23.666 -9.114 1.00 25.00 C ATOM 601 O PHE A 42 2.427 24.414 -8.599 1.00 25.00 O ATOM 602 CB PHE A 42 3.529 21.649 -7.662 1.00 25.00 C ATOM 603 CG PHE A 42 2.875 20.791 -8.709 1.00 25.00 C ATOM 604 CD1 PHE A 42 3.630 20.260 -9.770 1.00 25.00 C ATOM 605 CD2 PHE A 42 1.495 20.539 -8.673 1.00 25.00 C ATOM 606 CE1 PHE A 42 3.007 19.513 -10.795 1.00 25.00 C ATOM 607 CE2 PHE A 42 0.870 19.776 -9.690 1.00 25.00 C ATOM 608 CZ PHE A 42 1.635 19.264 -10.751 1.00 25.00 C ATOM 0 H PHE A 42 4.310 23.592 -6.287 1.00 25.00 H new ATOM 0 HA PHE A 42 5.071 22.527 -8.866 1.00 25.00 H new ATOM 0 HB2 PHE A 42 4.250 21.049 -7.106 1.00 25.00 H new ATOM 0 HB3 PHE A 42 2.775 21.982 -6.949 1.00 25.00 H new ATOM 0 HD1 PHE A 42 4.697 20.425 -9.802 1.00 25.00 H new ATOM 0 HD2 PHE A 42 0.902 20.932 -7.860 1.00 25.00 H new ATOM 0 HE1 PHE A 42 3.596 19.133 -11.617 1.00 25.00 H new ATOM 0 HE2 PHE A 42 -0.193 19.588 -9.650 1.00 25.00 H new ATOM 0 HZ PHE A 42 1.164 18.681 -11.528 1.00 25.00 H new ATOM 618 N SER A 43 3.327 23.479 -10.419 1.00 25.00 N ATOM 619 CA SER A 43 2.408 24.124 -11.342 1.00 25.00 C ATOM 620 C SER A 43 1.621 23.072 -12.119 1.00 25.00 C ATOM 621 O SER A 43 2.168 22.305 -12.923 1.00 25.00 O ATOM 622 CB SER A 43 3.173 25.029 -12.298 1.00 25.00 C ATOM 623 OG SER A 43 2.303 25.581 -13.274 1.00 25.00 O ATOM 0 H SER A 43 4.019 22.880 -10.868 1.00 25.00 H new ATOM 0 HA SER A 43 1.706 24.734 -10.773 1.00 25.00 H new ATOM 0 HB2 SER A 43 3.655 25.831 -11.739 1.00 25.00 H new ATOM 0 HB3 SER A 43 3.964 24.462 -12.789 1.00 25.00 H new ATOM 0 HG SER A 43 2.180 24.938 -14.003 1.00 25.00 H new ATOM 629 N ASN A 44 0.322 23.027 -11.869 1.00 25.00 N ATOM 630 CA ASN A 44 -0.558 22.033 -12.494 1.00 25.00 C ATOM 631 C ASN A 44 -0.645 22.178 -14.013 1.00 25.00 C ATOM 632 O ASN A 44 -1.067 21.237 -14.698 1.00 25.00 O ATOM 633 CB ASN A 44 -1.980 22.157 -11.933 1.00 25.00 C ATOM 634 CG ASN A 44 -2.105 21.669 -10.519 1.00 25.00 C ATOM 635 OD1 ASN A 44 -1.366 22.090 -9.643 1.00 25.00 O ATOM 636 ND2 ASN A 44 -3.041 20.793 -10.278 1.00 25.00 N ATOM 0 H ASN A 44 -0.155 23.668 -11.235 1.00 25.00 H new ATOM 0 HA ASN A 44 -0.120 21.062 -12.264 1.00 25.00 H new ATOM 0 HB2 ASN A 44 -2.291 23.201 -11.979 1.00 25.00 H new ATOM 0 HB3 ASN A 44 -2.664 21.592 -12.567 1.00 25.00 H new ATOM 0 HD21 ASN A 44 -3.175 20.437 -9.332 1.00 25.00 H new ATOM 0 HD22 ASN A 44 -3.639 20.464 -11.036 1.00 25.00 H new ATOM 643 N SER A 45 -0.299 23.341 -14.552 1.00 25.00 N ATOM 644 CA SER A 45 -0.401 23.567 -15.997 1.00 25.00 C ATOM 645 C SER A 45 0.720 22.858 -16.762 1.00 25.00 C ATOM 646 O SER A 45 0.492 22.341 -17.842 1.00 25.00 O ATOM 647 CB SER A 45 -0.342 25.062 -16.295 1.00 25.00 C ATOM 648 OG SER A 45 0.827 25.639 -15.732 1.00 25.00 O ATOM 0 H SER A 45 0.052 24.138 -14.020 1.00 25.00 H new ATOM 0 HA SER A 45 -1.355 23.155 -16.327 1.00 25.00 H new ATOM 0 HB2 SER A 45 -0.351 25.224 -17.373 1.00 25.00 H new ATOM 0 HB3 SER A 45 -1.227 25.554 -15.892 1.00 25.00 H new ATOM 0 HG SER A 45 0.849 26.598 -15.934 1.00 25.00 H new ATOM 654 N CYS A 46 1.917 22.804 -16.187 1.00 25.00 N ATOM 655 CA CYS A 46 3.072 22.206 -16.868 1.00 25.00 C ATOM 656 C CYS A 46 3.407 20.802 -16.383 1.00 25.00 C ATOM 657 O CYS A 46 4.289 20.164 -16.947 1.00 25.00 O ATOM 658 CB CYS A 46 4.310 23.090 -16.688 1.00 25.00 C ATOM 659 SG CYS A 46 4.792 23.260 -14.936 1.00 25.00 S ATOM 0 H CYS A 46 2.118 23.164 -15.254 1.00 25.00 H new ATOM 0 HA CYS A 46 2.790 22.133 -17.918 1.00 25.00 H new ATOM 0 HB2 CYS A 46 5.141 22.666 -17.252 1.00 25.00 H new ATOM 0 HB3 CYS A 46 4.112 24.077 -17.105 1.00 25.00 H new ATOM 664 N LYS A 47 2.738 20.355 -15.316 1.00 25.00 N ATOM 665 CA LYS A 47 3.019 19.051 -14.676 1.00 25.00 C ATOM 666 C LYS A 47 4.480 19.065 -14.263 1.00 25.00 C ATOM 667 O LYS A 47 5.195 18.075 -14.376 1.00 25.00 O ATOM 668 CB LYS A 47 2.706 17.855 -15.607 1.00 25.00 C ATOM 669 CG LYS A 47 1.230 17.408 -15.621 1.00 25.00 C ATOM 670 CD LYS A 47 0.311 18.521 -16.052 1.00 25.00 C ATOM 671 CE LYS A 47 -1.114 18.059 -16.266 1.00 25.00 C ATOM 672 NZ LYS A 47 -1.962 19.226 -16.679 1.00 25.00 N ATOM 0 H LYS A 47 1.987 20.880 -14.867 1.00 25.00 H new ATOM 0 HA LYS A 47 2.371 18.917 -13.810 1.00 25.00 H new ATOM 0 HB2 LYS A 47 3.000 18.118 -16.623 1.00 25.00 H new ATOM 0 HB3 LYS A 47 3.323 17.009 -15.306 1.00 25.00 H new ATOM 0 HG2 LYS A 47 1.114 16.559 -16.295 1.00 25.00 H new ATOM 0 HG3 LYS A 47 0.945 17.066 -14.626 1.00 25.00 H new ATOM 0 HD2 LYS A 47 0.323 19.308 -15.298 1.00 25.00 H new ATOM 0 HD3 LYS A 47 0.688 18.959 -16.976 1.00 25.00 H new ATOM 0 HE2 LYS A 47 -1.145 17.284 -17.032 1.00 25.00 H new ATOM 0 HE3 LYS A 47 -1.506 17.617 -15.350 1.00 25.00 H new ATOM 0 HZ1 LYS A 47 -2.967 18.971 -16.597 1.00 25.00 H new ATOM 0 HZ2 LYS A 47 -1.759 20.038 -16.062 1.00 25.00 H new ATOM 0 HZ3 LYS A 47 -1.748 19.479 -17.665 1.00 25.00 H new ATOM 686 N CYS A 48 4.923 20.231 -13.826 1.00 25.00 N ATOM 687 CA CYS A 48 6.320 20.469 -13.491 1.00 25.00 C ATOM 688 C CYS A 48 6.386 21.347 -12.246 1.00 25.00 C ATOM 689 O CYS A 48 5.371 21.916 -11.826 1.00 25.00 O ATOM 690 CB CYS A 48 7.033 21.133 -14.680 1.00 25.00 C ATOM 691 SG CYS A 48 6.805 22.937 -14.877 1.00 25.00 S ATOM 0 H CYS A 48 4.322 21.045 -13.692 1.00 25.00 H new ATOM 0 HA CYS A 48 6.825 19.526 -13.282 1.00 25.00 H new ATOM 0 HB2 CYS A 48 8.101 20.934 -14.590 1.00 25.00 H new ATOM 0 HB3 CYS A 48 6.694 20.646 -15.594 1.00 25.00 H new ATOM 696 N CYS A 49 7.559 21.434 -11.646 1.00 25.00 N ATOM 697 CA CYS A 49 7.760 22.260 -10.466 1.00 25.00 C ATOM 698 C CYS A 49 8.715 23.367 -10.906 1.00 25.00 C ATOM 699 O CYS A 49 9.639 23.103 -11.665 1.00 25.00 O ATOM 700 CB CYS A 49 8.364 21.425 -9.334 1.00 25.00 C ATOM 701 SG CYS A 49 8.381 22.270 -7.731 1.00 25.00 S ATOM 0 H CYS A 49 8.394 20.939 -11.958 1.00 25.00 H new ATOM 0 HA CYS A 49 6.826 22.672 -10.084 1.00 25.00 H new ATOM 0 HB2 CYS A 49 7.800 20.497 -9.239 1.00 25.00 H new ATOM 0 HB3 CYS A 49 9.385 21.152 -9.601 1.00 25.00 H new ATOM 706 N THR A 50 8.453 24.598 -10.500 1.00 25.00 N ATOM 707 CA THR A 50 9.226 25.750 -10.966 1.00 25.00 C ATOM 708 C THR A 50 9.441 26.721 -9.819 1.00 25.00 C ATOM 709 O THR A 50 8.722 26.699 -8.827 1.00 25.00 O ATOM 710 CB THR A 50 8.508 26.465 -12.150 1.00 25.00 C ATOM 711 OG1 THR A 50 9.350 27.493 -12.673 1.00 25.00 O ATOM 712 CG2 THR A 50 7.177 27.105 -11.710 1.00 25.00 C ATOM 0 H THR A 50 7.707 24.832 -9.845 1.00 25.00 H new ATOM 0 HA THR A 50 10.192 25.395 -11.324 1.00 25.00 H new ATOM 0 HB THR A 50 8.300 25.710 -12.908 1.00 25.00 H new ATOM 0 HG1 THR A 50 8.897 27.940 -13.418 1.00 25.00 H new ATOM 0 HG21 THR A 50 6.708 27.593 -12.564 1.00 25.00 H new ATOM 0 HG22 THR A 50 6.512 26.333 -11.323 1.00 25.00 H new ATOM 0 HG23 THR A 50 7.368 27.843 -10.931 1.00 25.00 H new ATOM 720 N TRP A 51 10.432 27.584 -9.957 1.00 25.00 N ATOM 721 CA TRP A 51 10.693 28.597 -8.941 1.00 25.00 C ATOM 722 C TRP A 51 9.619 29.662 -9.056 1.00 25.00 C ATOM 723 O TRP A 51 9.234 30.048 -10.156 1.00 25.00 O ATOM 724 CB TRP A 51 12.065 29.224 -9.154 1.00 25.00 C ATOM 725 CG TRP A 51 13.183 28.280 -8.853 1.00 25.00 C ATOM 726 CD1 TRP A 51 13.708 27.990 -7.634 1.00 25.00 C ATOM 727 CD2 TRP A 51 13.934 27.473 -9.788 1.00 25.00 C ATOM 728 NE1 TRP A 51 14.716 27.079 -7.718 1.00 25.00 N ATOM 729 CE2 TRP A 51 14.888 26.730 -9.032 1.00 25.00 C ATOM 730 CE3 TRP A 51 13.889 27.305 -11.184 1.00 25.00 C ATOM 731 CZ2 TRP A 51 15.789 25.825 -9.632 1.00 25.00 C ATOM 732 CZ3 TRP A 51 14.793 26.388 -11.799 1.00 25.00 C ATOM 733 CH2 TRP A 51 15.734 25.661 -11.004 1.00 25.00 C ATOM 0 H TRP A 51 11.067 27.607 -10.755 1.00 25.00 H new ATOM 0 HA TRP A 51 10.678 28.142 -7.951 1.00 25.00 H new ATOM 0 HB2 TRP A 51 12.149 29.563 -10.187 1.00 25.00 H new ATOM 0 HB3 TRP A 51 12.159 30.106 -8.521 1.00 25.00 H new ATOM 0 HD1 TRP A 51 13.366 28.430 -6.709 1.00 25.00 H new ATOM 0 HE1 TRP A 51 15.255 26.716 -6.932 1.00 25.00 H new ATOM 0 HE3 TRP A 51 13.181 27.861 -11.781 1.00 25.00 H new ATOM 0 HZ2 TRP A 51 16.502 25.275 -9.036 1.00 25.00 H new ATOM 0 HZ3 TRP A 51 14.767 26.242 -12.869 1.00 25.00 H new ATOM 0 HH2 TRP A 51 16.413 24.972 -11.484 1.00 25.00 H new ATOM 744 N ASN A 52 9.131 30.143 -7.922 1.00 25.00 N ATOM 745 CA ASN A 52 8.121 31.192 -7.926 1.00 25.00 C ATOM 746 C ASN A 52 8.750 32.533 -8.273 1.00 25.00 C ATOM 747 O ASN A 52 9.665 32.993 -7.600 1.00 25.00 O ATOM 748 CB ASN A 52 7.472 31.318 -6.556 1.00 25.00 C ATOM 749 CG ASN A 52 6.527 32.479 -6.493 1.00 25.00 C ATOM 750 OD1 ASN A 52 5.780 32.726 -7.421 1.00 25.00 O ATOM 751 ND2 ASN A 52 6.587 33.226 -5.427 1.00 25.00 N ATOM 0 H ASN A 52 9.415 29.827 -6.995 1.00 25.00 H new ATOM 0 HA ASN A 52 7.371 30.923 -8.670 1.00 25.00 H new ATOM 0 HB2 ASN A 52 6.935 30.399 -6.322 1.00 25.00 H new ATOM 0 HB3 ASN A 52 8.245 31.437 -5.797 1.00 25.00 H new ATOM 0 HD21 ASN A 52 5.994 34.052 -5.349 1.00 25.00 H new ATOM 0 HD22 ASN A 52 7.227 32.985 -4.670 1.00 25.00 H new ATOM 758 N GLY A 53 8.220 33.177 -9.298 1.00 25.00 N ATOM 759 CA GLY A 53 8.717 34.476 -9.727 1.00 25.00 C ATOM 760 C GLY A 53 7.840 35.647 -9.315 1.00 25.00 C ATOM 761 O GLY A 53 8.149 36.792 -9.617 1.00 25.00 O ATOM 0 H GLY A 53 7.441 32.821 -9.852 1.00 25.00 H new ATOM 0 HA2 GLY A 53 9.716 34.623 -9.317 1.00 25.00 H new ATOM 0 HA3 GLY A 53 8.815 34.474 -10.813 1.00 25.00 H new ATOM 765 N LEU A 54 6.730 35.372 -8.643 1.00 25.00 N ATOM 766 CA LEU A 54 5.802 36.437 -8.247 1.00 25.00 C ATOM 767 C LEU A 54 5.971 36.796 -6.772 1.00 25.00 C ATOM 768 O LEU A 54 5.744 35.969 -5.898 1.00 25.00 O ATOM 769 CB LEU A 54 4.356 36.023 -8.537 1.00 25.00 C ATOM 770 CG LEU A 54 3.337 37.172 -8.455 1.00 25.00 C ATOM 771 CD1 LEU A 54 2.256 36.948 -9.509 1.00 25.00 C ATOM 772 CD2 LEU A 54 2.700 37.294 -7.058 1.00 25.00 C ATOM 0 H LEU A 54 6.447 34.434 -8.361 1.00 25.00 H new ATOM 0 HA LEU A 54 6.036 37.323 -8.837 1.00 25.00 H new ATOM 0 HB2 LEU A 54 4.310 35.583 -9.533 1.00 25.00 H new ATOM 0 HB3 LEU A 54 4.065 35.245 -7.831 1.00 25.00 H new ATOM 0 HG LEU A 54 3.864 38.107 -8.642 1.00 25.00 H new ATOM 0 HD11 LEU A 54 1.527 37.757 -9.460 1.00 25.00 H new ATOM 0 HD12 LEU A 54 2.712 36.929 -10.499 1.00 25.00 H new ATOM 0 HD13 LEU A 54 1.756 35.998 -9.321 1.00 25.00 H new ATOM 0 HD21 LEU A 54 1.988 38.120 -7.053 1.00 25.00 H new ATOM 0 HD22 LEU A 54 2.182 36.367 -6.812 1.00 25.00 H new ATOM 0 HD23 LEU A 54 3.478 37.482 -6.318 1.00 25.00 H new ATOM 784 N VAL A 55 6.339 38.042 -6.505 1.00 25.00 N ATOM 785 CA VAL A 55 6.459 38.539 -5.129 1.00 25.00 C ATOM 786 C VAL A 55 5.319 39.539 -4.882 1.00 25.00 C ATOM 787 O VAL A 55 5.255 40.575 -5.526 1.00 25.00 O ATOM 788 CB VAL A 55 7.850 39.204 -4.901 1.00 25.00 C ATOM 789 CG1 VAL A 55 7.983 39.746 -3.463 1.00 25.00 C ATOM 790 CG2 VAL A 55 8.962 38.171 -5.168 1.00 25.00 C ATOM 0 H VAL A 55 6.561 38.733 -7.221 1.00 25.00 H new ATOM 0 HA VAL A 55 6.382 37.712 -4.423 1.00 25.00 H new ATOM 0 HB VAL A 55 7.945 40.043 -5.590 1.00 25.00 H new ATOM 0 HG11 VAL A 55 8.964 40.204 -3.336 1.00 25.00 H new ATOM 0 HG12 VAL A 55 7.209 40.492 -3.282 1.00 25.00 H new ATOM 0 HG13 VAL A 55 7.870 38.926 -2.753 1.00 25.00 H new ATOM 0 HG21 VAL A 55 9.935 38.635 -5.009 1.00 25.00 H new ATOM 0 HG22 VAL A 55 8.846 37.328 -4.487 1.00 25.00 H new ATOM 0 HG23 VAL A 55 8.892 37.819 -6.197 1.00 25.00 H new ATOM 800 N PRO A 56 4.375 39.210 -3.976 1.00 25.00 N ATOM 801 CA PRO A 56 3.224 40.087 -3.705 1.00 25.00 C ATOM 802 C PRO A 56 3.486 41.076 -2.558 1.00 25.00 C ATOM 803 O PRO A 56 2.552 41.532 -1.885 1.00 25.00 O ATOM 804 CB PRO A 56 2.153 39.077 -3.298 1.00 25.00 C ATOM 805 CG PRO A 56 2.915 38.072 -2.507 1.00 25.00 C ATOM 806 CD PRO A 56 4.291 37.980 -3.154 1.00 25.00 C ATOM 0 HA PRO A 56 2.966 40.717 -4.556 1.00 25.00 H new ATOM 0 HB2 PRO A 56 1.365 39.542 -2.705 1.00 25.00 H new ATOM 0 HB3 PRO A 56 1.674 38.626 -4.167 1.00 25.00 H new ATOM 0 HG2 PRO A 56 2.995 38.377 -1.463 1.00 25.00 H new ATOM 0 HG3 PRO A 56 2.413 37.105 -2.519 1.00 25.00 H new ATOM 0 HD2 PRO A 56 5.083 37.943 -2.406 1.00 25.00 H new ATOM 0 HD3 PRO A 56 4.387 37.083 -3.765 1.00 25.00 H new ATOM 814 N ARG A 57 4.761 41.328 -2.283 1.00 25.00 N ATOM 815 CA ARG A 57 5.173 42.207 -1.189 1.00 25.00 C ATOM 816 C ARG A 57 6.006 43.340 -1.736 1.00 25.00 C ATOM 817 O ARG A 57 6.484 43.197 -2.871 1.00 25.00 O ATOM 818 CB ARG A 57 6.008 41.437 -0.159 1.00 25.00 C ATOM 819 CG ARG A 57 5.267 40.320 0.549 1.00 25.00 C ATOM 820 CD ARG A 57 4.099 40.849 1.370 1.00 25.00 C ATOM 821 NE ARG A 57 3.493 39.794 2.191 1.00 25.00 N ATOM 822 CZ ARG A 57 2.421 39.950 2.958 1.00 25.00 C ATOM 823 NH1 ARG A 57 1.786 41.093 3.048 1.00 25.00 N ATOM 824 NH2 ARG A 57 1.990 38.932 3.653 1.00 25.00 N ATOM 825 OXT ARG A 57 6.220 44.305 -0.992 1.00 25.00 O ATOM 0 H ARG A 57 5.539 40.931 -2.810 1.00 25.00 H new ATOM 0 HA ARG A 57 4.276 42.595 -0.706 1.00 25.00 H new ATOM 0 HB2 ARG A 57 6.880 41.016 -0.660 1.00 25.00 H new ATOM 0 HB3 ARG A 57 6.378 42.140 0.588 1.00 25.00 H new ATOM 0 HG2 ARG A 57 4.900 39.604 -0.186 1.00 25.00 H new ATOM 0 HG3 ARG A 57 5.956 39.783 1.201 1.00 25.00 H new ATOM 0 HD2 ARG A 57 4.443 41.659 2.013 1.00 25.00 H new ATOM 0 HD3 ARG A 57 3.346 41.270 0.703 1.00 25.00 H new ATOM 0 HE ARG A 57 3.928 38.872 2.171 1.00 25.00 H new ATOM 0 HH11 ARG A 57 2.112 41.901 2.518 1.00 25.00 H new ATOM 0 HH12 ARG A 57 0.965 41.175 3.648 1.00 25.00 H new ATOM 0 HH21 ARG A 57 2.476 38.037 3.601 1.00 25.00 H new ATOM 0 HH22 ARG A 57 1.168 39.032 4.248 1.00 25.00 H new TER 839 ARG A 57