USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 577 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 64 THR OG1 : rot -88:sc= -1.82! USER MOD Set 1.2: A 69 LYS NZ :NH3+ 164:sc= -6.53! (180deg=-6.9!) USER MOD Set 2.1: A 5 ASN : amide:sc= -2! C(o=-2.3!,f=-13!) USER MOD Set 2.2: A 42 SER OG : rot 46:sc= -0.275 USER MOD Single : A 1 CYS N :NH3+ 167:sc= -6.87! (180deg=-7.29!) USER MOD Single : A 2 LYS NZ :NH3+ 167:sc= 0.902 (180deg=0.639) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.156 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.686! C(o=-0.69!,f=-3.4!) USER MOD Single : A 9 TYR OH : rot 70:sc= 0.263 USER MOD Single : A 12 THR OG1 : rot -138:sc= 1.29 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -101:sc= 0.0308! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -119:sc= -5.82! USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.286) USER MOD Single : A 18 ASN : amide:sc= 0.128 K(o=0.13,f=-0.82) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 23 GLN : amide:sc= -21.3! C(o=-21!,f=-19!) USER MOD Single : A 24 LYS NZ :NH3+ -126:sc= -0.0721 (180deg=-3.74!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 160:sc= -0.708 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -81:sc= 0.79 USER MOD Single : A 31 HIS : no HE2:sc= -10.1! C(o=-10!,f=-9.2!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -58:sc= 1.12 USER MOD Single : A 40 HIS : no HD1:sc= -10! C(o=-10!,f=-11!) USER MOD Single : A 48 ASN : amide:sc= -6.67! C(o=-6.7!,f=-0.58!) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.534 USER MOD Single : A 52 ASN : amide:sc= -3.02! C(o=-3!,f=-4.4!) USER MOD Single : A 55 ASN : amide:sc= 0.28 X(o=0.28,f=-0.055) USER MOD Single : A 58 GLN : amide:sc= -2.16! C(o=-2.2!,f=-7.2!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.01 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= -0.854 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 13.370 3.506 -1.119 1.00 0.00 N ATOM 2 CA CYS A 1 11.917 3.341 -1.363 1.00 0.00 C ATOM 3 C CYS A 1 11.685 2.651 -2.695 1.00 0.00 C ATOM 4 O CYS A 1 12.198 3.080 -3.696 1.00 0.00 O ATOM 5 CB CYS A 1 11.260 4.721 -1.422 1.00 0.00 C ATOM 6 SG CYS A 1 12.358 6.156 -1.289 1.00 0.00 S ATOM 0 H1 CYS A 1 13.517 4.164 -0.327 1.00 0.00 H new ATOM 0 H2 CYS A 1 13.790 2.584 -0.885 1.00 0.00 H new ATOM 0 H3 CYS A 1 13.825 3.886 -1.974 1.00 0.00 H new ATOM 0 HA CYS A 1 11.491 2.742 -0.558 1.00 0.00 H new ATOM 0 HB2 CYS A 1 10.714 4.797 -2.362 1.00 0.00 H new ATOM 0 HB3 CYS A 1 10.524 4.781 -0.620 1.00 0.00 H new ATOM 13 N LYS A 2 10.924 1.592 -2.693 1.00 0.00 N ATOM 14 CA LYS A 2 10.676 0.897 -3.981 1.00 0.00 C ATOM 15 C LYS A 2 9.569 1.602 -4.750 1.00 0.00 C ATOM 16 O LYS A 2 8.532 1.035 -5.025 1.00 0.00 O ATOM 17 CB LYS A 2 10.264 -0.564 -3.717 1.00 0.00 C ATOM 18 CG LYS A 2 9.193 -0.619 -2.602 1.00 0.00 C ATOM 19 CD LYS A 2 7.885 -1.194 -3.178 1.00 0.00 C ATOM 20 CE LYS A 2 7.094 -1.895 -2.069 1.00 0.00 C ATOM 21 NZ LYS A 2 6.771 -0.935 -0.968 1.00 0.00 N ATOM 0 H LYS A 2 10.473 1.186 -1.873 1.00 0.00 H new ATOM 0 HA LYS A 2 11.592 0.915 -4.571 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.873 -1.011 -4.631 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.136 -1.149 -3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.543 -1.238 -1.776 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.019 0.379 -2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.287 -0.394 -3.614 1.00 0.00 H new ATOM 0 HD3 LYS A 2 8.108 -1.899 -3.979 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.173 -2.311 -2.478 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.673 -2.730 -1.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.058 -1.356 -0.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.633 -0.727 -0.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 6.397 -0.054 -1.374 1.00 0.00 H new ATOM 35 N THR A 3 9.812 2.845 -5.064 1.00 0.00 N ATOM 36 CA THR A 3 8.803 3.643 -5.822 1.00 0.00 C ATOM 37 C THR A 3 8.863 3.205 -7.286 1.00 0.00 C ATOM 38 O THR A 3 8.845 3.999 -8.208 1.00 0.00 O ATOM 39 CB THR A 3 9.177 5.136 -5.692 1.00 0.00 C ATOM 40 OG1 THR A 3 10.530 5.160 -5.273 1.00 0.00 O ATOM 41 CG2 THR A 3 8.415 5.786 -4.527 1.00 0.00 C ATOM 0 H THR A 3 10.669 3.345 -4.828 1.00 0.00 H new ATOM 0 HA THR A 3 7.795 3.489 -5.437 1.00 0.00 H new ATOM 0 HB THR A 3 8.967 5.646 -6.632 1.00 0.00 H new ATOM 0 HG1 THR A 3 10.825 6.089 -5.174 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.692 6.837 -4.452 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.342 5.705 -4.704 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.669 5.277 -3.597 1.00 0.00 H new ATOM 49 N GLY A 4 8.936 1.913 -7.430 1.00 0.00 N ATOM 50 CA GLY A 4 9.008 1.259 -8.742 1.00 0.00 C ATOM 51 C GLY A 4 9.925 0.052 -8.559 1.00 0.00 C ATOM 52 O GLY A 4 9.556 -0.910 -7.923 1.00 0.00 O ATOM 0 H GLY A 4 8.949 1.262 -6.645 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.019 0.950 -9.079 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.404 1.939 -9.496 1.00 0.00 H new ATOM 56 N ASN A 5 11.100 0.150 -9.094 1.00 0.00 N ATOM 57 CA ASN A 5 12.083 -0.969 -8.976 1.00 0.00 C ATOM 58 C ASN A 5 13.237 -0.744 -9.934 1.00 0.00 C ATOM 59 O ASN A 5 13.753 -1.663 -10.543 1.00 0.00 O ATOM 60 CB ASN A 5 11.395 -2.316 -9.284 1.00 0.00 C ATOM 61 CG ASN A 5 11.594 -3.245 -8.101 1.00 0.00 C ATOM 62 OD1 ASN A 5 12.405 -4.145 -8.127 1.00 0.00 O ATOM 63 ND2 ASN A 5 10.884 -3.052 -7.053 1.00 0.00 N ATOM 0 H ASN A 5 11.432 0.962 -9.615 1.00 0.00 H new ATOM 0 HA ASN A 5 12.467 -0.997 -7.956 1.00 0.00 H new ATOM 0 HB2 ASN A 5 10.332 -2.164 -9.470 1.00 0.00 H new ATOM 0 HB3 ASN A 5 11.817 -2.758 -10.187 1.00 0.00 H new ATOM 0 HD21 ASN A 5 11.001 -3.656 -6.239 1.00 0.00 H new ATOM 0 HD22 ASN A 5 10.202 -2.294 -7.032 1.00 0.00 H new ATOM 70 N GLY A 6 13.626 0.493 -10.033 1.00 0.00 N ATOM 71 CA GLY A 6 14.751 0.849 -10.941 1.00 0.00 C ATOM 72 C GLY A 6 16.038 0.992 -10.144 1.00 0.00 C ATOM 73 O GLY A 6 16.866 0.107 -10.146 1.00 0.00 O ATOM 0 H GLY A 6 13.214 1.275 -9.524 1.00 0.00 H new ATOM 0 HA2 GLY A 6 14.870 0.080 -11.705 1.00 0.00 H new ATOM 0 HA3 GLY A 6 14.529 1.782 -11.460 1.00 0.00 H new ATOM 77 N LYS A 7 16.173 2.102 -9.462 1.00 0.00 N ATOM 78 CA LYS A 7 17.402 2.328 -8.653 1.00 0.00 C ATOM 79 C LYS A 7 17.286 3.612 -7.821 1.00 0.00 C ATOM 80 O LYS A 7 17.972 4.586 -8.074 1.00 0.00 O ATOM 81 CB LYS A 7 18.601 2.459 -9.619 1.00 0.00 C ATOM 82 CG LYS A 7 19.900 2.160 -8.862 1.00 0.00 C ATOM 83 CD LYS A 7 21.096 2.550 -9.744 1.00 0.00 C ATOM 84 CE LYS A 7 22.387 2.469 -8.924 1.00 0.00 C ATOM 85 NZ LYS A 7 22.682 3.790 -8.292 1.00 0.00 N ATOM 0 H LYS A 7 15.487 2.856 -9.432 1.00 0.00 H new ATOM 0 HA LYS A 7 17.539 1.489 -7.970 1.00 0.00 H new ATOM 0 HB2 LYS A 7 18.487 1.768 -10.454 1.00 0.00 H new ATOM 0 HB3 LYS A 7 18.635 3.464 -10.039 1.00 0.00 H new ATOM 0 HG2 LYS A 7 19.926 2.717 -7.925 1.00 0.00 H new ATOM 0 HG3 LYS A 7 19.951 1.102 -8.606 1.00 0.00 H new ATOM 0 HD2 LYS A 7 21.158 1.885 -10.605 1.00 0.00 H new ATOM 0 HD3 LYS A 7 20.962 3.560 -10.131 1.00 0.00 H new ATOM 0 HE2 LYS A 7 22.290 1.703 -8.154 1.00 0.00 H new ATOM 0 HE3 LYS A 7 23.216 2.172 -9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 23.560 3.722 -7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 22.795 4.512 -9.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 21.897 4.058 -7.664 1.00 0.00 H new ATOM 99 N ASN A 8 16.424 3.591 -6.841 1.00 0.00 N ATOM 100 CA ASN A 8 16.252 4.800 -5.986 1.00 0.00 C ATOM 101 C ASN A 8 15.841 4.409 -4.566 1.00 0.00 C ATOM 102 O ASN A 8 14.676 4.204 -4.284 1.00 0.00 O ATOM 103 CB ASN A 8 15.143 5.682 -6.610 1.00 0.00 C ATOM 104 CG ASN A 8 14.134 4.808 -7.376 1.00 0.00 C ATOM 105 OD1 ASN A 8 13.931 3.647 -7.075 1.00 0.00 O ATOM 106 ND2 ASN A 8 13.485 5.328 -8.372 1.00 0.00 N ATOM 0 H ASN A 8 15.835 2.795 -6.596 1.00 0.00 H new ATOM 0 HA ASN A 8 17.197 5.340 -5.934 1.00 0.00 H new ATOM 0 HB2 ASN A 8 14.630 6.241 -5.827 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.587 6.413 -7.285 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.813 4.764 -8.893 1.00 0.00 H new ATOM 0 HD22 ASN A 8 13.647 6.300 -8.634 1.00 0.00 H new ATOM 113 N TYR A 9 16.798 4.308 -3.685 1.00 0.00 N ATOM 114 CA TYR A 9 16.446 3.930 -2.294 1.00 0.00 C ATOM 115 C TYR A 9 17.655 4.051 -1.345 1.00 0.00 C ATOM 116 O TYR A 9 18.772 4.247 -1.784 1.00 0.00 O ATOM 117 CB TYR A 9 15.960 2.471 -2.310 1.00 0.00 C ATOM 118 CG TYR A 9 16.562 1.719 -3.508 1.00 0.00 C ATOM 119 CD1 TYR A 9 17.919 1.488 -3.586 1.00 0.00 C ATOM 120 CD2 TYR A 9 15.747 1.249 -4.520 1.00 0.00 C ATOM 121 CE1 TYR A 9 18.452 0.797 -4.654 1.00 0.00 C ATOM 122 CE2 TYR A 9 16.282 0.559 -5.587 1.00 0.00 C ATOM 123 CZ TYR A 9 17.636 0.328 -5.661 1.00 0.00 C ATOM 124 OH TYR A 9 18.173 -0.372 -6.725 1.00 0.00 O ATOM 0 H TYR A 9 17.789 4.468 -3.865 1.00 0.00 H new ATOM 0 HA TYR A 9 15.672 4.605 -1.929 1.00 0.00 H new ATOM 0 HB2 TYR A 9 16.245 1.976 -1.381 1.00 0.00 H new ATOM 0 HB3 TYR A 9 14.872 2.444 -2.365 1.00 0.00 H new ATOM 0 HD1 TYR A 9 18.570 1.851 -2.804 1.00 0.00 H new ATOM 0 HD2 TYR A 9 14.682 1.424 -4.475 1.00 0.00 H new ATOM 0 HE1 TYR A 9 19.517 0.622 -4.702 1.00 0.00 H new ATOM 0 HE2 TYR A 9 15.633 0.197 -6.371 1.00 0.00 H new ATOM 0 HH TYR A 9 18.481 -1.250 -6.417 1.00 0.00 H new ATOM 134 N ARG A 10 17.400 3.928 -0.052 1.00 0.00 N ATOM 135 CA ARG A 10 18.523 4.034 0.942 1.00 0.00 C ATOM 136 C ARG A 10 18.665 2.762 1.802 1.00 0.00 C ATOM 137 O ARG A 10 19.651 2.059 1.706 1.00 0.00 O ATOM 138 CB ARG A 10 18.230 5.232 1.872 1.00 0.00 C ATOM 139 CG ARG A 10 18.628 6.536 1.164 1.00 0.00 C ATOM 140 CD ARG A 10 18.149 7.735 1.993 1.00 0.00 C ATOM 141 NE ARG A 10 18.596 8.998 1.314 1.00 0.00 N ATOM 142 CZ ARG A 10 18.544 10.121 1.950 1.00 0.00 C ATOM 143 NH1 ARG A 10 19.489 10.411 2.765 1.00 0.00 N ATOM 144 NH2 ARG A 10 17.552 10.908 1.740 1.00 0.00 N ATOM 0 H ARG A 10 16.477 3.762 0.348 1.00 0.00 H new ATOM 0 HA ARG A 10 19.455 4.166 0.392 1.00 0.00 H new ATOM 0 HB2 ARG A 10 17.172 5.255 2.132 1.00 0.00 H new ATOM 0 HB3 ARG A 10 18.785 5.127 2.804 1.00 0.00 H new ATOM 0 HG2 ARG A 10 19.710 6.577 1.036 1.00 0.00 H new ATOM 0 HG3 ARG A 10 18.188 6.570 0.167 1.00 0.00 H new ATOM 0 HD2 ARG A 10 17.063 7.720 2.087 1.00 0.00 H new ATOM 0 HD3 ARG A 10 18.557 7.684 3.003 1.00 0.00 H new ATOM 0 HE ARG A 10 18.939 8.969 0.354 1.00 0.00 H new ATOM 0 HH11 ARG A 10 20.263 9.760 2.901 1.00 0.00 H new ATOM 0 HH12 ARG A 10 19.468 11.293 3.278 1.00 0.00 H new ATOM 0 HH21 ARG A 10 16.821 10.642 1.080 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.494 11.799 2.233 1.00 0.00 H new ATOM 158 N GLY A 11 17.669 2.496 2.624 1.00 0.00 N ATOM 159 CA GLY A 11 17.712 1.267 3.518 1.00 0.00 C ATOM 160 C GLY A 11 18.185 0.012 2.761 1.00 0.00 C ATOM 161 O GLY A 11 18.505 -0.992 3.368 1.00 0.00 O ATOM 0 H GLY A 11 16.830 3.068 2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 11 18.380 1.455 4.359 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.720 1.087 3.933 1.00 0.00 H new ATOM 165 N THR A 12 18.214 0.092 1.459 1.00 0.00 N ATOM 166 CA THR A 12 18.659 -1.080 0.658 1.00 0.00 C ATOM 167 C THR A 12 20.067 -1.498 1.019 1.00 0.00 C ATOM 168 O THR A 12 20.491 -2.571 0.648 1.00 0.00 O ATOM 169 CB THR A 12 18.642 -0.700 -0.817 1.00 0.00 C ATOM 170 OG1 THR A 12 18.814 -1.913 -1.499 1.00 0.00 O ATOM 171 CG2 THR A 12 19.875 0.136 -1.199 1.00 0.00 C ATOM 0 H THR A 12 17.950 0.915 0.918 1.00 0.00 H new ATOM 0 HA THR A 12 17.983 -1.909 0.866 1.00 0.00 H new ATOM 0 HB THR A 12 17.732 -0.145 -1.044 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.434 -1.783 -2.247 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.829 0.389 -2.258 1.00 0.00 H new ATOM 0 HG22 THR A 12 19.891 1.052 -0.608 1.00 0.00 H new ATOM 0 HG23 THR A 12 20.780 -0.439 -1.002 1.00 0.00 H new ATOM 179 N MET A 13 20.776 -0.634 1.724 1.00 0.00 N ATOM 180 CA MET A 13 22.177 -0.969 2.123 1.00 0.00 C ATOM 181 C MET A 13 22.343 -2.468 2.242 1.00 0.00 C ATOM 182 O MET A 13 23.230 -3.054 1.649 1.00 0.00 O ATOM 183 CB MET A 13 22.462 -0.316 3.493 1.00 0.00 C ATOM 184 CG MET A 13 22.708 1.187 3.299 1.00 0.00 C ATOM 185 SD MET A 13 23.397 2.102 4.704 1.00 0.00 S ATOM 186 CE MET A 13 24.677 3.003 3.790 1.00 0.00 C ATOM 0 H MET A 13 20.442 0.278 2.034 1.00 0.00 H new ATOM 0 HA MET A 13 22.871 -0.598 1.369 1.00 0.00 H new ATOM 0 HB2 MET A 13 21.619 -0.474 4.166 1.00 0.00 H new ATOM 0 HB3 MET A 13 23.332 -0.781 3.956 1.00 0.00 H new ATOM 0 HG2 MET A 13 23.382 1.312 2.451 1.00 0.00 H new ATOM 0 HG3 MET A 13 21.761 1.652 3.025 1.00 0.00 H new ATOM 0 HE1 MET A 13 25.234 3.641 4.477 1.00 0.00 H new ATOM 0 HE2 MET A 13 25.358 2.292 3.322 1.00 0.00 H new ATOM 0 HE3 MET A 13 24.210 3.619 3.021 1.00 0.00 H new ATOM 196 N SER A 14 21.455 -3.032 3.006 1.00 0.00 N ATOM 197 CA SER A 14 21.444 -4.513 3.252 1.00 0.00 C ATOM 198 C SER A 14 20.901 -4.830 4.642 1.00 0.00 C ATOM 199 O SER A 14 21.417 -5.680 5.338 1.00 0.00 O ATOM 200 CB SER A 14 22.863 -5.088 3.125 1.00 0.00 C ATOM 201 OG SER A 14 23.706 -4.147 3.775 1.00 0.00 O ATOM 0 H SER A 14 20.714 -2.522 3.486 1.00 0.00 H new ATOM 0 HA SER A 14 20.796 -4.969 2.503 1.00 0.00 H new ATOM 0 HB2 SER A 14 22.934 -6.069 3.594 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.145 -5.213 2.080 1.00 0.00 H new ATOM 0 HG SER A 14 24.145 -3.583 3.104 1.00 0.00 H new ATOM 207 N LYS A 15 19.853 -4.146 5.015 1.00 0.00 N ATOM 208 CA LYS A 15 19.259 -4.390 6.356 1.00 0.00 C ATOM 209 C LYS A 15 17.807 -4.849 6.228 1.00 0.00 C ATOM 210 O LYS A 15 17.289 -4.982 5.146 1.00 0.00 O ATOM 211 CB LYS A 15 19.286 -3.069 7.140 1.00 0.00 C ATOM 212 CG LYS A 15 20.735 -2.724 7.517 1.00 0.00 C ATOM 213 CD LYS A 15 20.809 -1.246 7.941 1.00 0.00 C ATOM 214 CE LYS A 15 21.490 -1.135 9.308 1.00 0.00 C ATOM 215 NZ LYS A 15 21.284 0.231 9.879 1.00 0.00 N ATOM 0 H LYS A 15 19.387 -3.434 4.452 1.00 0.00 H new ATOM 0 HA LYS A 15 19.830 -5.166 6.866 1.00 0.00 H new ATOM 0 HB2 LYS A 15 18.855 -2.268 6.539 1.00 0.00 H new ATOM 0 HB3 LYS A 15 18.676 -3.155 8.039 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.075 -3.366 8.330 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.397 -2.905 6.670 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.365 -0.672 7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.807 -0.820 7.988 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.084 -1.885 9.986 1.00 0.00 H new ATOM 0 HE3 LYS A 15 22.556 -1.338 9.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.751 0.294 10.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 21.692 0.941 9.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.266 0.410 9.991 1.00 0.00 H new ATOM 229 N THR A 16 17.185 -5.106 7.335 1.00 0.00 N ATOM 230 CA THR A 16 15.766 -5.557 7.281 1.00 0.00 C ATOM 231 C THR A 16 14.894 -4.689 8.187 1.00 0.00 C ATOM 232 O THR A 16 15.277 -4.373 9.304 1.00 0.00 O ATOM 233 CB THR A 16 15.684 -7.031 7.712 1.00 0.00 C ATOM 234 OG1 THR A 16 16.946 -7.355 8.217 1.00 0.00 O ATOM 235 CG2 THR A 16 15.555 -7.936 6.492 1.00 0.00 C ATOM 0 H THR A 16 17.587 -5.026 8.269 1.00 0.00 H new ATOM 0 HA THR A 16 15.397 -5.459 6.260 1.00 0.00 H new ATOM 0 HB THR A 16 14.849 -7.158 8.401 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.337 -8.077 7.682 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.498 -8.976 6.815 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.651 -7.677 5.941 1.00 0.00 H new ATOM 0 HG23 THR A 16 16.424 -7.803 5.847 1.00 0.00 H new ATOM 243 N LYS A 17 13.737 -4.325 7.652 1.00 0.00 N ATOM 244 CA LYS A 17 12.728 -3.462 8.383 1.00 0.00 C ATOM 245 C LYS A 17 13.259 -2.905 9.698 1.00 0.00 C ATOM 246 O LYS A 17 12.739 -3.207 10.749 1.00 0.00 O ATOM 247 CB LYS A 17 11.450 -4.306 8.631 1.00 0.00 C ATOM 248 CG LYS A 17 10.307 -3.384 9.090 1.00 0.00 C ATOM 249 CD LYS A 17 9.163 -4.246 9.653 1.00 0.00 C ATOM 250 CE LYS A 17 7.829 -3.524 9.451 1.00 0.00 C ATOM 251 NZ LYS A 17 7.895 -2.151 10.032 1.00 0.00 N ATOM 0 H LYS A 17 13.443 -4.598 6.714 1.00 0.00 H new ATOM 0 HA LYS A 17 12.508 -2.597 7.758 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.165 -4.830 7.719 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.644 -5.066 9.388 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.665 -2.690 9.851 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.949 -2.783 8.254 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.143 -5.214 9.153 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.327 -4.438 10.713 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.595 -3.466 8.388 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.026 -4.089 9.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.933 -1.765 10.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.340 -2.192 10.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.458 -1.537 9.409 1.00 0.00 H new ATOM 265 N ASN A 18 14.283 -2.072 9.581 1.00 0.00 N ATOM 266 CA ASN A 18 14.930 -1.428 10.785 1.00 0.00 C ATOM 267 C ASN A 18 16.436 -1.312 10.599 1.00 0.00 C ATOM 268 O ASN A 18 16.978 -0.241 10.410 1.00 0.00 O ATOM 269 CB ASN A 18 14.760 -2.295 12.018 1.00 0.00 C ATOM 270 CG ASN A 18 13.734 -1.670 12.963 1.00 0.00 C ATOM 271 OD1 ASN A 18 14.004 -0.696 13.626 1.00 0.00 O ATOM 272 ND2 ASN A 18 12.552 -2.194 13.055 1.00 0.00 N ATOM 0 H ASN A 18 14.702 -1.809 8.689 1.00 0.00 H new ATOM 0 HA ASN A 18 14.455 -0.453 10.897 1.00 0.00 H new ATOM 0 HB2 ASN A 18 14.437 -3.294 11.727 1.00 0.00 H new ATOM 0 HB3 ASN A 18 15.716 -2.405 12.529 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.860 -1.784 13.682 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.314 -3.016 12.500 1.00 0.00 H new ATOM 279 N GLY A 19 17.082 -2.443 10.687 1.00 0.00 N ATOM 280 CA GLY A 19 18.536 -2.463 10.529 1.00 0.00 C ATOM 281 C GLY A 19 19.118 -3.880 10.688 1.00 0.00 C ATOM 282 O GLY A 19 20.304 -4.027 10.881 1.00 0.00 O ATOM 0 H GLY A 19 16.650 -3.350 10.863 1.00 0.00 H new ATOM 0 HA2 GLY A 19 18.799 -2.072 9.546 1.00 0.00 H new ATOM 0 HA3 GLY A 19 18.989 -1.801 11.267 1.00 0.00 H new ATOM 286 N ILE A 20 18.285 -4.895 10.601 1.00 0.00 N ATOM 287 CA ILE A 20 18.814 -6.282 10.749 1.00 0.00 C ATOM 288 C ILE A 20 19.714 -6.653 9.571 1.00 0.00 C ATOM 289 O ILE A 20 19.284 -6.660 8.435 1.00 0.00 O ATOM 290 CB ILE A 20 17.619 -7.237 10.812 1.00 0.00 C ATOM 291 CG1 ILE A 20 17.075 -7.270 12.218 1.00 0.00 C ATOM 292 CG2 ILE A 20 18.063 -8.673 10.425 1.00 0.00 C ATOM 293 CD1 ILE A 20 15.927 -8.276 12.276 1.00 0.00 C ATOM 0 H ILE A 20 17.281 -4.821 10.437 1.00 0.00 H new ATOM 0 HA ILE A 20 19.413 -6.351 11.657 1.00 0.00 H new ATOM 0 HB ILE A 20 16.855 -6.887 10.117 1.00 0.00 H new ATOM 0 HG12 ILE A 20 17.860 -7.551 12.920 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.725 -6.280 12.511 1.00 0.00 H new ATOM 0 HG21 ILE A 20 17.206 -9.344 10.473 1.00 0.00 H new ATOM 0 HG22 ILE A 20 18.464 -8.669 9.412 1.00 0.00 H new ATOM 0 HG23 ILE A 20 18.831 -9.016 11.118 1.00 0.00 H new ATOM 0 HD11 ILE A 20 15.524 -8.310 13.288 1.00 0.00 H new ATOM 0 HD12 ILE A 20 15.142 -7.973 11.583 1.00 0.00 H new ATOM 0 HD13 ILE A 20 16.295 -9.264 11.998 1.00 0.00 H new ATOM 305 N THR A 21 20.954 -6.943 9.862 1.00 0.00 N ATOM 306 CA THR A 21 21.893 -7.312 8.790 1.00 0.00 C ATOM 307 C THR A 21 21.318 -8.414 7.904 1.00 0.00 C ATOM 308 O THR A 21 21.007 -9.497 8.380 1.00 0.00 O ATOM 309 CB THR A 21 23.187 -7.821 9.438 1.00 0.00 C ATOM 310 OG1 THR A 21 23.380 -7.015 10.587 1.00 0.00 O ATOM 311 CG2 THR A 21 24.391 -7.510 8.554 1.00 0.00 C ATOM 0 H THR A 21 21.348 -6.937 10.803 1.00 0.00 H new ATOM 0 HA THR A 21 22.080 -6.436 8.168 1.00 0.00 H new ATOM 0 HB THR A 21 23.108 -8.892 9.623 1.00 0.00 H new ATOM 0 HG1 THR A 21 24.197 -7.295 11.049 1.00 0.00 H new ATOM 0 HG21 THR A 21 25.298 -7.879 9.032 1.00 0.00 H new ATOM 0 HG22 THR A 21 24.267 -7.996 7.586 1.00 0.00 H new ATOM 0 HG23 THR A 21 24.469 -6.432 8.411 1.00 0.00 H new ATOM 319 N CYS A 22 21.181 -8.116 6.634 1.00 0.00 N ATOM 320 CA CYS A 22 20.628 -9.131 5.688 1.00 0.00 C ATOM 321 C CYS A 22 21.613 -10.301 5.445 1.00 0.00 C ATOM 322 O CYS A 22 21.831 -11.114 6.321 1.00 0.00 O ATOM 323 CB CYS A 22 20.278 -8.435 4.343 1.00 0.00 C ATOM 324 SG CYS A 22 18.597 -7.745 4.164 1.00 0.00 S ATOM 0 H CYS A 22 21.427 -7.219 6.215 1.00 0.00 H new ATOM 0 HA CYS A 22 19.730 -9.558 6.135 1.00 0.00 H new ATOM 0 HB2 CYS A 22 20.992 -7.626 4.187 1.00 0.00 H new ATOM 0 HB3 CYS A 22 20.433 -9.156 3.541 1.00 0.00 H new ATOM 329 N GLN A 23 22.189 -10.366 4.271 1.00 0.00 N ATOM 330 CA GLN A 23 23.153 -11.484 3.979 1.00 0.00 C ATOM 331 C GLN A 23 23.844 -11.310 2.618 1.00 0.00 C ATOM 332 O GLN A 23 24.630 -10.416 2.413 1.00 0.00 O ATOM 333 CB GLN A 23 22.300 -12.753 3.907 1.00 0.00 C ATOM 334 CG GLN A 23 21.115 -12.496 2.930 1.00 0.00 C ATOM 335 CD GLN A 23 20.150 -13.687 2.980 1.00 0.00 C ATOM 336 OE1 GLN A 23 19.244 -13.788 2.194 1.00 0.00 O ATOM 337 NE2 GLN A 23 20.327 -14.622 3.872 1.00 0.00 N ATOM 0 H GLN A 23 22.040 -9.706 3.508 1.00 0.00 H new ATOM 0 HA GLN A 23 23.928 -11.512 4.745 1.00 0.00 H new ATOM 0 HB2 GLN A 23 22.901 -13.594 3.561 1.00 0.00 H new ATOM 0 HB3 GLN A 23 21.925 -13.014 4.897 1.00 0.00 H new ATOM 0 HG2 GLN A 23 20.594 -11.579 3.205 1.00 0.00 H new ATOM 0 HG3 GLN A 23 21.488 -12.358 1.915 1.00 0.00 H new ATOM 0 HE21 GLN A 23 21.091 -14.548 4.544 1.00 0.00 H new ATOM 0 HE22 GLN A 23 19.701 -15.427 3.898 1.00 0.00 H new ATOM 346 N LYS A 24 23.557 -12.229 1.748 1.00 0.00 N ATOM 347 CA LYS A 24 24.108 -12.226 0.414 1.00 0.00 C ATOM 348 C LYS A 24 23.377 -13.315 -0.311 1.00 0.00 C ATOM 349 O LYS A 24 23.282 -14.399 0.213 1.00 0.00 O ATOM 350 CB LYS A 24 25.605 -12.555 0.464 1.00 0.00 C ATOM 351 CG LYS A 24 26.361 -11.596 -0.463 1.00 0.00 C ATOM 352 CD LYS A 24 27.868 -11.889 -0.372 1.00 0.00 C ATOM 353 CE LYS A 24 28.510 -10.967 0.673 1.00 0.00 C ATOM 354 NZ LYS A 24 29.541 -10.105 0.036 1.00 0.00 N ATOM 0 H LYS A 24 22.930 -13.011 1.938 1.00 0.00 H new ATOM 0 HA LYS A 24 23.998 -11.257 -0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 24 25.976 -12.462 1.485 1.00 0.00 H new ATOM 0 HB3 LYS A 24 25.774 -13.587 0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 24 26.016 -11.716 -1.490 1.00 0.00 H new ATOM 0 HG3 LYS A 24 26.161 -10.563 -0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 24 28.030 -12.932 -0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 24 28.338 -11.736 -1.344 1.00 0.00 H new ATOM 0 HE2 LYS A 24 27.745 -10.346 1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 24 28.963 -11.563 1.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 30.443 -10.209 0.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 29.668 -10.391 -0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 29.235 -9.112 0.074 1.00 0.00 H new ATOM 368 N TRP A 25 22.812 -13.007 -1.443 1.00 0.00 N ATOM 369 CA TRP A 25 22.070 -14.052 -2.209 1.00 0.00 C ATOM 370 C TRP A 25 22.990 -15.247 -2.437 1.00 0.00 C ATOM 371 O TRP A 25 23.527 -15.454 -3.504 1.00 0.00 O ATOM 372 CB TRP A 25 21.608 -13.467 -3.563 1.00 0.00 C ATOM 373 CG TRP A 25 20.966 -12.076 -3.375 1.00 0.00 C ATOM 374 CD1 TRP A 25 21.336 -11.007 -4.057 1.00 0.00 C ATOM 375 CD2 TRP A 25 19.975 -11.778 -2.536 1.00 0.00 C ATOM 376 NE1 TRP A 25 20.528 -10.037 -3.599 1.00 0.00 N ATOM 377 CE2 TRP A 25 19.636 -10.437 -2.638 1.00 0.00 C ATOM 378 CE3 TRP A 25 19.291 -12.579 -1.647 1.00 0.00 C ATOM 379 CZ2 TRP A 25 18.623 -9.911 -1.854 1.00 0.00 C ATOM 380 CZ3 TRP A 25 18.285 -12.053 -0.864 1.00 0.00 C ATOM 381 CH2 TRP A 25 17.949 -10.720 -0.967 1.00 0.00 C ATOM 0 H TRP A 25 22.830 -12.082 -1.872 1.00 0.00 H new ATOM 0 HA TRP A 25 21.193 -14.375 -1.648 1.00 0.00 H new ATOM 0 HB2 TRP A 25 22.459 -13.390 -4.239 1.00 0.00 H new ATOM 0 HB3 TRP A 25 20.891 -14.142 -4.029 1.00 0.00 H new ATOM 0 HD1 TRP A 25 22.108 -10.931 -4.808 1.00 0.00 H new ATOM 0 HE1 TRP A 25 20.574 -9.077 -3.940 1.00 0.00 H new ATOM 0 HE3 TRP A 25 19.545 -13.625 -1.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 18.362 -8.866 -1.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 17.758 -12.688 -0.167 1.00 0.00 H new ATOM 0 HH2 TRP A 25 17.159 -10.312 -0.354 1.00 0.00 H new ATOM 392 N SER A 26 23.136 -15.991 -1.396 1.00 0.00 N ATOM 393 CA SER A 26 23.981 -17.188 -1.399 1.00 0.00 C ATOM 394 C SER A 26 23.121 -18.441 -1.270 1.00 0.00 C ATOM 395 O SER A 26 23.615 -19.547 -1.332 1.00 0.00 O ATOM 396 CB SER A 26 24.902 -17.061 -0.162 1.00 0.00 C ATOM 397 OG SER A 26 26.203 -16.860 -0.709 1.00 0.00 O ATOM 0 H SER A 26 22.681 -15.806 -0.502 1.00 0.00 H new ATOM 0 HA SER A 26 24.551 -17.269 -2.325 1.00 0.00 H new ATOM 0 HB2 SER A 26 24.604 -16.226 0.472 1.00 0.00 H new ATOM 0 HB3 SER A 26 24.865 -17.959 0.455 1.00 0.00 H new ATOM 0 HG SER A 26 26.853 -16.767 0.019 1.00 0.00 H new ATOM 403 N SER A 27 21.839 -18.228 -1.103 1.00 0.00 N ATOM 404 CA SER A 27 20.886 -19.371 -0.963 1.00 0.00 C ATOM 405 C SER A 27 21.101 -20.123 0.329 1.00 0.00 C ATOM 406 O SER A 27 21.872 -19.709 1.175 1.00 0.00 O ATOM 407 CB SER A 27 21.067 -20.333 -2.154 1.00 0.00 C ATOM 408 OG SER A 27 21.329 -19.477 -3.256 1.00 0.00 O ATOM 0 H SER A 27 21.409 -17.304 -1.057 1.00 0.00 H new ATOM 0 HA SER A 27 19.873 -18.968 -0.951 1.00 0.00 H new ATOM 0 HB2 SER A 27 21.890 -21.027 -1.984 1.00 0.00 H new ATOM 0 HB3 SER A 27 20.173 -20.934 -2.320 1.00 0.00 H new ATOM 0 HG SER A 27 21.765 -19.987 -3.970 1.00 0.00 H new ATOM 414 N THR A 28 20.418 -21.227 0.462 1.00 0.00 N ATOM 415 CA THR A 28 20.567 -22.016 1.695 1.00 0.00 C ATOM 416 C THR A 28 21.997 -22.256 2.071 1.00 0.00 C ATOM 417 O THR A 28 22.697 -22.998 1.418 1.00 0.00 O ATOM 418 CB THR A 28 19.907 -23.364 1.555 1.00 0.00 C ATOM 419 OG1 THR A 28 18.521 -23.115 1.433 1.00 0.00 O ATOM 420 CG2 THR A 28 20.056 -24.097 2.878 1.00 0.00 C ATOM 0 H THR A 28 19.771 -21.606 -0.229 1.00 0.00 H new ATOM 0 HA THR A 28 20.090 -21.422 2.475 1.00 0.00 H new ATOM 0 HB THR A 28 20.330 -23.923 0.721 1.00 0.00 H new ATOM 0 HG1 THR A 28 18.043 -23.965 1.337 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.586 -25.078 2.805 1.00 0.00 H new ATOM 0 HG22 THR A 28 21.114 -24.218 3.110 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.574 -23.522 3.669 1.00 0.00 H new ATOM 428 N SER A 29 22.392 -21.633 3.148 1.00 0.00 N ATOM 429 CA SER A 29 23.784 -21.786 3.630 1.00 0.00 C ATOM 430 C SER A 29 24.105 -20.765 4.729 1.00 0.00 C ATOM 431 O SER A 29 24.859 -19.832 4.524 1.00 0.00 O ATOM 432 CB SER A 29 24.728 -21.565 2.447 1.00 0.00 C ATOM 433 OG SER A 29 24.363 -20.278 1.941 1.00 0.00 O ATOM 0 H SER A 29 21.803 -21.022 3.714 1.00 0.00 H new ATOM 0 HA SER A 29 23.908 -22.785 4.048 1.00 0.00 H new ATOM 0 HB2 SER A 29 25.772 -21.588 2.761 1.00 0.00 H new ATOM 0 HB3 SER A 29 24.606 -22.340 1.690 1.00 0.00 H new ATOM 0 HG SER A 29 23.575 -20.365 1.365 1.00 0.00 H new ATOM 439 N PRO A 30 23.526 -20.975 5.897 1.00 0.00 N ATOM 440 CA PRO A 30 22.610 -22.104 6.171 1.00 0.00 C ATOM 441 C PRO A 30 21.129 -21.763 5.882 1.00 0.00 C ATOM 442 O PRO A 30 20.252 -22.544 6.185 1.00 0.00 O ATOM 443 CB PRO A 30 22.760 -22.307 7.693 1.00 0.00 C ATOM 444 CG PRO A 30 23.367 -20.986 8.268 1.00 0.00 C ATOM 445 CD PRO A 30 23.820 -20.138 7.066 1.00 0.00 C ATOM 0 HA PRO A 30 22.854 -22.966 5.550 1.00 0.00 H new ATOM 0 HB2 PRO A 30 21.794 -22.520 8.151 1.00 0.00 H new ATOM 0 HB3 PRO A 30 23.409 -23.156 7.908 1.00 0.00 H new ATOM 0 HG2 PRO A 30 22.628 -20.449 8.862 1.00 0.00 H new ATOM 0 HG3 PRO A 30 24.209 -21.203 8.926 1.00 0.00 H new ATOM 0 HD2 PRO A 30 23.282 -19.191 7.022 1.00 0.00 H new ATOM 0 HD3 PRO A 30 24.882 -19.898 7.126 1.00 0.00 H new ATOM 453 N HIS A 31 20.873 -20.617 5.302 1.00 0.00 N ATOM 454 CA HIS A 31 19.450 -20.251 5.011 1.00 0.00 C ATOM 455 C HIS A 31 19.352 -19.251 3.820 1.00 0.00 C ATOM 456 O HIS A 31 20.361 -18.844 3.294 1.00 0.00 O ATOM 457 CB HIS A 31 18.918 -19.589 6.297 1.00 0.00 C ATOM 458 CG HIS A 31 17.490 -19.133 6.089 1.00 0.00 C ATOM 459 ND1 HIS A 31 16.476 -19.739 6.484 1.00 0.00 N ATOM 460 CD2 HIS A 31 17.032 -18.020 5.447 1.00 0.00 C ATOM 461 CE1 HIS A 31 15.417 -19.119 6.155 1.00 0.00 C ATOM 462 NE2 HIS A 31 15.679 -18.001 5.487 1.00 0.00 N ATOM 0 H HIS A 31 21.572 -19.929 5.021 1.00 0.00 H new ATOM 0 HA HIS A 31 18.873 -21.132 4.729 1.00 0.00 H new ATOM 0 HB2 HIS A 31 18.966 -20.295 7.126 1.00 0.00 H new ATOM 0 HB3 HIS A 31 19.545 -18.739 6.565 1.00 0.00 H new ATOM 0 HD1 HIS A 31 16.494 -20.617 7.003 1.00 0.00 H new ATOM 0 HD2 HIS A 31 17.653 -17.270 4.979 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.420 -19.461 6.391 1.00 0.00 H new ATOM 470 N ARG A 32 18.121 -18.912 3.428 1.00 0.00 N ATOM 471 CA ARG A 32 17.873 -17.941 2.283 1.00 0.00 C ATOM 472 C ARG A 32 17.914 -18.631 0.897 1.00 0.00 C ATOM 473 O ARG A 32 18.638 -19.575 0.694 1.00 0.00 O ATOM 474 CB ARG A 32 18.916 -16.773 2.378 1.00 0.00 C ATOM 475 CG ARG A 32 19.748 -16.626 1.080 1.00 0.00 C ATOM 476 CD ARG A 32 21.178 -16.194 1.424 1.00 0.00 C ATOM 477 NE ARG A 32 21.879 -17.309 2.136 1.00 0.00 N ATOM 478 CZ ARG A 32 22.985 -17.086 2.774 1.00 0.00 C ATOM 479 NH1 ARG A 32 23.584 -15.960 2.626 1.00 0.00 N ATOM 480 NH2 ARG A 32 23.448 -18.015 3.526 1.00 0.00 N ATOM 0 H ARG A 32 17.271 -19.273 3.860 1.00 0.00 H new ATOM 0 HA ARG A 32 16.864 -17.540 2.380 1.00 0.00 H new ATOM 0 HB2 ARG A 32 18.394 -15.838 2.581 1.00 0.00 H new ATOM 0 HB3 ARG A 32 19.586 -16.954 3.219 1.00 0.00 H new ATOM 0 HG2 ARG A 32 19.765 -17.572 0.539 1.00 0.00 H new ATOM 0 HG3 ARG A 32 19.285 -15.891 0.422 1.00 0.00 H new ATOM 0 HD2 ARG A 32 21.719 -15.932 0.515 1.00 0.00 H new ATOM 0 HD3 ARG A 32 21.159 -15.303 2.051 1.00 0.00 H new ATOM 0 HE ARG A 32 21.484 -18.249 2.119 1.00 0.00 H new ATOM 0 HH11 ARG A 32 23.189 -15.249 2.010 1.00 0.00 H new ATOM 0 HH12 ARG A 32 24.455 -15.776 3.124 1.00 0.00 H new ATOM 0 HH21 ARG A 32 22.948 -18.900 3.610 1.00 0.00 H new ATOM 0 HH22 ARG A 32 24.316 -17.869 4.041 1.00 0.00 H new ATOM 494 N PRO A 33 17.075 -18.144 -0.023 1.00 0.00 N ATOM 495 CA PRO A 33 16.993 -18.692 -1.393 1.00 0.00 C ATOM 496 C PRO A 33 18.032 -18.049 -2.334 1.00 0.00 C ATOM 497 O PRO A 33 18.848 -17.251 -1.912 1.00 0.00 O ATOM 498 CB PRO A 33 15.590 -18.270 -1.865 1.00 0.00 C ATOM 499 CG PRO A 33 15.180 -17.052 -0.984 1.00 0.00 C ATOM 500 CD PRO A 33 16.111 -17.059 0.250 1.00 0.00 C ATOM 0 HA PRO A 33 17.177 -19.766 -1.403 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.600 -18.000 -2.921 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.879 -19.089 -1.752 1.00 0.00 H new ATOM 0 HG2 PRO A 33 15.283 -16.120 -1.541 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.136 -17.128 -0.681 1.00 0.00 H new ATOM 0 HD2 PRO A 33 16.616 -16.101 0.372 1.00 0.00 H new ATOM 0 HD3 PRO A 33 15.553 -17.245 1.168 1.00 0.00 H new ATOM 508 N ARG A 34 17.974 -18.418 -3.593 1.00 0.00 N ATOM 509 CA ARG A 34 18.942 -17.844 -4.581 1.00 0.00 C ATOM 510 C ARG A 34 18.330 -16.650 -5.327 1.00 0.00 C ATOM 511 O ARG A 34 19.028 -15.726 -5.695 1.00 0.00 O ATOM 512 CB ARG A 34 19.313 -18.937 -5.606 1.00 0.00 C ATOM 513 CG ARG A 34 18.038 -19.611 -6.143 1.00 0.00 C ATOM 514 CD ARG A 34 18.066 -21.099 -5.777 1.00 0.00 C ATOM 515 NE ARG A 34 16.828 -21.747 -6.301 1.00 0.00 N ATOM 516 CZ ARG A 34 16.751 -23.033 -6.344 1.00 0.00 C ATOM 517 NH1 ARG A 34 16.381 -23.664 -5.288 1.00 0.00 N ATOM 518 NH2 ARG A 34 17.050 -23.635 -7.436 1.00 0.00 N ATOM 0 H ARG A 34 17.304 -19.086 -3.976 1.00 0.00 H new ATOM 0 HA ARG A 34 19.825 -17.500 -4.043 1.00 0.00 H new ATOM 0 HB2 ARG A 34 19.877 -18.498 -6.429 1.00 0.00 H new ATOM 0 HB3 ARG A 34 19.958 -19.681 -5.139 1.00 0.00 H new ATOM 0 HG2 ARG A 34 17.154 -19.136 -5.718 1.00 0.00 H new ATOM 0 HG3 ARG A 34 17.976 -19.491 -7.225 1.00 0.00 H new ATOM 0 HD2 ARG A 34 18.950 -21.575 -6.201 1.00 0.00 H new ATOM 0 HD3 ARG A 34 18.127 -21.220 -4.695 1.00 0.00 H new ATOM 0 HE ARG A 34 16.047 -21.175 -6.623 1.00 0.00 H new ATOM 0 HH11 ARG A 34 16.155 -23.147 -4.438 1.00 0.00 H new ATOM 0 HH12 ARG A 34 16.313 -24.682 -5.299 1.00 0.00 H new ATOM 0 HH21 ARG A 34 17.343 -23.097 -8.251 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.995 -24.652 -7.489 1.00 0.00 H new ATOM 532 N PHE A 35 17.028 -16.699 -5.534 1.00 0.00 N ATOM 533 CA PHE A 35 16.340 -15.583 -6.252 1.00 0.00 C ATOM 534 C PHE A 35 16.790 -15.487 -7.720 1.00 0.00 C ATOM 535 O PHE A 35 17.141 -16.470 -8.343 1.00 0.00 O ATOM 536 CB PHE A 35 16.699 -14.265 -5.527 1.00 0.00 C ATOM 537 CG PHE A 35 15.532 -13.275 -5.620 1.00 0.00 C ATOM 538 CD1 PHE A 35 14.415 -13.436 -4.824 1.00 0.00 C ATOM 539 CD2 PHE A 35 15.590 -12.186 -6.481 1.00 0.00 C ATOM 540 CE1 PHE A 35 13.382 -12.531 -4.880 1.00 0.00 C ATOM 541 CE2 PHE A 35 14.556 -11.286 -6.535 1.00 0.00 C ATOM 542 CZ PHE A 35 13.450 -11.454 -5.734 1.00 0.00 C ATOM 0 H PHE A 35 16.420 -17.462 -5.236 1.00 0.00 H new ATOM 0 HA PHE A 35 15.266 -15.766 -6.246 1.00 0.00 H new ATOM 0 HB2 PHE A 35 16.931 -14.468 -4.481 1.00 0.00 H new ATOM 0 HB3 PHE A 35 17.593 -13.828 -5.973 1.00 0.00 H new ATOM 0 HD1 PHE A 35 14.353 -14.279 -4.152 1.00 0.00 H new ATOM 0 HD2 PHE A 35 16.455 -12.047 -7.112 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.514 -12.666 -4.252 1.00 0.00 H new ATOM 0 HE2 PHE A 35 14.610 -10.443 -7.208 1.00 0.00 H new ATOM 0 HZ PHE A 35 12.638 -10.743 -5.775 1.00 0.00 H new ATOM 552 N SER A 36 16.746 -14.287 -8.227 1.00 0.00 N ATOM 553 CA SER A 36 17.148 -14.024 -9.635 1.00 0.00 C ATOM 554 C SER A 36 16.360 -14.891 -10.650 1.00 0.00 C ATOM 555 O SER A 36 16.933 -15.440 -11.572 1.00 0.00 O ATOM 556 CB SER A 36 18.655 -14.337 -9.771 1.00 0.00 C ATOM 557 OG SER A 36 19.242 -13.092 -10.126 1.00 0.00 O ATOM 0 H SER A 36 16.442 -13.461 -7.713 1.00 0.00 H new ATOM 0 HA SER A 36 16.929 -12.980 -9.861 1.00 0.00 H new ATOM 0 HB2 SER A 36 19.068 -14.719 -8.837 1.00 0.00 H new ATOM 0 HB3 SER A 36 18.837 -15.094 -10.534 1.00 0.00 H new ATOM 0 HG SER A 36 20.210 -13.205 -10.231 1.00 0.00 H new ATOM 563 N PRO A 37 15.044 -15.000 -10.459 1.00 0.00 N ATOM 564 CA PRO A 37 14.199 -15.797 -11.363 1.00 0.00 C ATOM 565 C PRO A 37 13.947 -15.068 -12.697 1.00 0.00 C ATOM 566 O PRO A 37 14.529 -14.041 -12.967 1.00 0.00 O ATOM 567 CB PRO A 37 12.862 -15.940 -10.607 1.00 0.00 C ATOM 568 CG PRO A 37 12.898 -14.933 -9.425 1.00 0.00 C ATOM 569 CD PRO A 37 14.319 -14.363 -9.344 1.00 0.00 C ATOM 0 HA PRO A 37 14.670 -16.749 -11.609 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.021 -15.729 -11.268 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.733 -16.959 -10.242 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.173 -14.134 -9.581 1.00 0.00 H new ATOM 0 HG3 PRO A 37 12.630 -15.428 -8.492 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.316 -13.277 -9.443 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.784 -14.595 -8.386 1.00 0.00 H new ATOM 577 N ALA A 38 13.066 -15.623 -13.497 1.00 0.00 N ATOM 578 CA ALA A 38 12.748 -14.991 -14.818 1.00 0.00 C ATOM 579 C ALA A 38 11.278 -14.551 -14.890 1.00 0.00 C ATOM 580 O ALA A 38 10.839 -14.001 -15.881 1.00 0.00 O ATOM 581 CB ALA A 38 12.992 -16.045 -15.904 1.00 0.00 C ATOM 0 H ALA A 38 12.556 -16.482 -13.293 1.00 0.00 H new ATOM 0 HA ALA A 38 13.375 -14.110 -14.953 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.770 -15.618 -16.882 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.034 -16.363 -15.875 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.346 -16.905 -15.728 1.00 0.00 H new ATOM 587 N THR A 39 10.557 -14.805 -13.834 1.00 0.00 N ATOM 588 CA THR A 39 9.123 -14.424 -13.795 1.00 0.00 C ATOM 589 C THR A 39 8.878 -13.355 -12.727 1.00 0.00 C ATOM 590 O THR A 39 7.912 -13.404 -11.988 1.00 0.00 O ATOM 591 CB THR A 39 8.301 -15.687 -13.464 1.00 0.00 C ATOM 592 OG1 THR A 39 6.955 -15.266 -13.425 1.00 0.00 O ATOM 593 CG2 THR A 39 8.586 -16.188 -12.038 1.00 0.00 C ATOM 0 H THR A 39 10.905 -15.264 -12.992 1.00 0.00 H new ATOM 0 HA THR A 39 8.825 -14.013 -14.760 1.00 0.00 H new ATOM 0 HB THR A 39 8.533 -16.465 -14.192 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.852 -14.563 -12.750 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.990 -17.079 -11.839 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.644 -16.431 -11.942 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.326 -15.410 -11.320 1.00 0.00 H new ATOM 601 N HIS A 40 9.771 -12.417 -12.668 1.00 0.00 N ATOM 602 CA HIS A 40 9.640 -11.316 -11.664 1.00 0.00 C ATOM 603 C HIS A 40 9.620 -9.934 -12.349 1.00 0.00 C ATOM 604 O HIS A 40 10.165 -9.763 -13.422 1.00 0.00 O ATOM 605 CB HIS A 40 10.861 -11.387 -10.758 1.00 0.00 C ATOM 606 CG HIS A 40 10.625 -12.422 -9.658 1.00 0.00 C ATOM 607 ND1 HIS A 40 10.036 -13.522 -9.797 1.00 0.00 N ATOM 608 CD2 HIS A 40 11.012 -12.384 -8.349 1.00 0.00 C ATOM 609 CE1 HIS A 40 10.025 -14.176 -8.701 1.00 0.00 C ATOM 610 NE2 HIS A 40 10.627 -13.519 -7.721 1.00 0.00 N ATOM 0 H HIS A 40 10.592 -12.358 -13.270 1.00 0.00 H new ATOM 0 HA HIS A 40 8.708 -11.436 -11.111 1.00 0.00 H new ATOM 0 HB2 HIS A 40 11.743 -11.655 -11.340 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.056 -10.410 -10.316 1.00 0.00 H new ATOM 0 HD2 HIS A 40 11.546 -11.569 -7.884 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.577 -15.152 -8.586 1.00 0.00 H new ATOM 0 HE2 HIS A 40 10.764 -13.796 -6.749 1.00 0.00 H new ATOM 618 N PRO A 41 8.981 -8.966 -11.699 1.00 0.00 N ATOM 619 CA PRO A 41 8.886 -7.603 -12.237 1.00 0.00 C ATOM 620 C PRO A 41 10.273 -6.997 -12.473 1.00 0.00 C ATOM 621 O PRO A 41 10.520 -6.366 -13.483 1.00 0.00 O ATOM 622 CB PRO A 41 8.151 -6.802 -11.137 1.00 0.00 C ATOM 623 CG PRO A 41 7.744 -7.801 -10.017 1.00 0.00 C ATOM 624 CD PRO A 41 8.318 -9.170 -10.398 1.00 0.00 C ATOM 0 HA PRO A 41 8.371 -7.588 -13.198 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.797 -6.021 -10.736 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.270 -6.308 -11.547 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.133 -7.476 -9.052 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.659 -7.852 -9.923 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.025 -9.523 -9.647 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.530 -9.920 -10.471 1.00 0.00 H new ATOM 632 N SER A 42 11.148 -7.207 -11.527 1.00 0.00 N ATOM 633 CA SER A 42 12.532 -6.662 -11.650 1.00 0.00 C ATOM 634 C SER A 42 13.552 -7.700 -11.189 1.00 0.00 C ATOM 635 O SER A 42 13.213 -8.848 -10.980 1.00 0.00 O ATOM 636 CB SER A 42 12.627 -5.422 -10.743 1.00 0.00 C ATOM 637 OG SER A 42 13.939 -4.905 -10.965 1.00 0.00 O ATOM 0 H SER A 42 10.964 -7.733 -10.673 1.00 0.00 H new ATOM 0 HA SER A 42 12.743 -6.407 -12.689 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.864 -4.686 -10.998 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.478 -5.686 -9.696 1.00 0.00 H new ATOM 0 HG SER A 42 14.123 -4.882 -11.927 1.00 0.00 H new ATOM 643 N GLU A 43 14.783 -7.292 -11.044 1.00 0.00 N ATOM 644 CA GLU A 43 15.811 -8.271 -10.594 1.00 0.00 C ATOM 645 C GLU A 43 17.106 -7.590 -10.201 1.00 0.00 C ATOM 646 O GLU A 43 18.175 -8.150 -10.317 1.00 0.00 O ATOM 647 CB GLU A 43 16.089 -9.287 -11.734 1.00 0.00 C ATOM 648 CG GLU A 43 15.974 -8.594 -13.113 1.00 0.00 C ATOM 649 CD GLU A 43 17.345 -8.554 -13.796 1.00 0.00 C ATOM 650 OE1 GLU A 43 17.895 -9.629 -13.973 1.00 0.00 O ATOM 651 OE2 GLU A 43 17.761 -7.449 -14.109 1.00 0.00 O ATOM 0 H GLU A 43 15.117 -6.343 -11.214 1.00 0.00 H new ATOM 0 HA GLU A 43 15.422 -8.783 -9.714 1.00 0.00 H new ATOM 0 HB2 GLU A 43 17.085 -9.713 -11.616 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.380 -10.113 -11.675 1.00 0.00 H new ATOM 0 HG2 GLU A 43 15.262 -9.130 -13.740 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.591 -7.581 -12.989 1.00 0.00 H new ATOM 658 N GLY A 44 16.983 -6.400 -9.711 1.00 0.00 N ATOM 659 CA GLY A 44 18.205 -5.656 -9.295 1.00 0.00 C ATOM 660 C GLY A 44 18.783 -6.269 -8.008 1.00 0.00 C ATOM 661 O GLY A 44 19.704 -5.735 -7.426 1.00 0.00 O ATOM 0 H GLY A 44 16.100 -5.907 -9.578 1.00 0.00 H new ATOM 0 HA2 GLY A 44 18.950 -5.690 -10.090 1.00 0.00 H new ATOM 0 HA3 GLY A 44 17.963 -4.606 -9.130 1.00 0.00 H new ATOM 665 N LEU A 45 18.213 -7.377 -7.582 1.00 0.00 N ATOM 666 CA LEU A 45 18.701 -8.043 -6.350 1.00 0.00 C ATOM 667 C LEU A 45 20.219 -8.236 -6.362 1.00 0.00 C ATOM 668 O LEU A 45 20.763 -8.933 -7.197 1.00 0.00 O ATOM 669 CB LEU A 45 18.022 -9.414 -6.260 1.00 0.00 C ATOM 670 CG LEU A 45 16.788 -9.356 -5.321 1.00 0.00 C ATOM 671 CD1 LEU A 45 16.815 -10.575 -4.456 1.00 0.00 C ATOM 672 CD2 LEU A 45 16.828 -8.149 -4.384 1.00 0.00 C ATOM 0 H LEU A 45 17.430 -7.841 -8.043 1.00 0.00 H new ATOM 0 HA LEU A 45 18.459 -7.415 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 45 17.714 -9.738 -7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 45 18.732 -10.153 -5.890 1.00 0.00 H new ATOM 0 HG LEU A 45 15.896 -9.289 -5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 45 15.958 -10.563 -3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.772 -11.466 -5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.735 -10.586 -3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 45 15.943 -8.153 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 45 17.722 -8.200 -3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 45 16.847 -7.232 -4.973 1.00 0.00 H new ATOM 684 N GLU A 46 20.867 -7.602 -5.423 1.00 0.00 N ATOM 685 CA GLU A 46 22.333 -7.707 -5.325 1.00 0.00 C ATOM 686 C GLU A 46 22.732 -8.245 -3.955 1.00 0.00 C ATOM 687 O GLU A 46 21.969 -8.135 -3.014 1.00 0.00 O ATOM 688 CB GLU A 46 22.921 -6.292 -5.524 1.00 0.00 C ATOM 689 CG GLU A 46 23.625 -5.805 -4.235 1.00 0.00 C ATOM 690 CD GLU A 46 24.189 -4.399 -4.474 1.00 0.00 C ATOM 691 OE1 GLU A 46 24.573 -4.149 -5.606 1.00 0.00 O ATOM 692 OE2 GLU A 46 24.197 -3.649 -3.514 1.00 0.00 O ATOM 0 H GLU A 46 20.429 -7.011 -4.716 1.00 0.00 H new ATOM 0 HA GLU A 46 22.714 -8.391 -6.083 1.00 0.00 H new ATOM 0 HB2 GLU A 46 23.631 -6.301 -6.351 1.00 0.00 H new ATOM 0 HB3 GLU A 46 22.126 -5.597 -5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 46 22.920 -5.792 -3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 46 24.427 -6.491 -3.962 1.00 0.00 H new ATOM 699 N GLU A 47 23.912 -8.817 -3.881 1.00 0.00 N ATOM 700 CA GLU A 47 24.406 -9.381 -2.586 1.00 0.00 C ATOM 701 C GLU A 47 23.280 -9.538 -1.558 1.00 0.00 C ATOM 702 O GLU A 47 22.573 -10.502 -1.547 1.00 0.00 O ATOM 703 CB GLU A 47 25.456 -8.406 -2.020 1.00 0.00 C ATOM 704 CG GLU A 47 26.753 -8.501 -2.845 1.00 0.00 C ATOM 705 CD GLU A 47 27.947 -8.769 -1.917 1.00 0.00 C ATOM 706 OE1 GLU A 47 27.894 -8.283 -0.792 1.00 0.00 O ATOM 707 OE2 GLU A 47 28.845 -9.450 -2.381 1.00 0.00 O ATOM 0 H GLU A 47 24.555 -8.917 -4.666 1.00 0.00 H new ATOM 0 HA GLU A 47 24.824 -10.370 -2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.071 -7.387 -2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 47 25.660 -8.643 -0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 47 26.668 -9.300 -3.581 1.00 0.00 H new ATOM 0 HG3 GLU A 47 26.911 -7.574 -3.397 1.00 0.00 H new ATOM 714 N ASN A 48 23.147 -8.571 -0.737 1.00 0.00 N ATOM 715 CA ASN A 48 22.079 -8.607 0.318 1.00 0.00 C ATOM 716 C ASN A 48 21.172 -7.420 0.125 1.00 0.00 C ATOM 717 O ASN A 48 21.154 -6.512 0.936 1.00 0.00 O ATOM 718 CB ASN A 48 22.740 -8.472 1.701 1.00 0.00 C ATOM 719 CG ASN A 48 24.081 -7.700 1.603 1.00 0.00 C ATOM 720 OD1 ASN A 48 24.982 -7.905 2.386 1.00 0.00 O ATOM 721 ND2 ASN A 48 24.247 -6.794 0.677 1.00 0.00 N ATOM 0 H ASN A 48 23.729 -7.733 -0.731 1.00 0.00 H new ATOM 0 HA ASN A 48 21.520 -9.540 0.247 1.00 0.00 H new ATOM 0 HB2 ASN A 48 22.066 -7.952 2.381 1.00 0.00 H new ATOM 0 HB3 ASN A 48 22.916 -9.462 2.122 1.00 0.00 H new ATOM 0 HD21 ASN A 48 25.123 -6.274 0.623 1.00 0.00 H new ATOM 0 HD22 ASN A 48 23.501 -6.606 0.008 1.00 0.00 H new ATOM 728 N TYR A 49 20.428 -7.435 -0.925 1.00 0.00 N ATOM 729 CA TYR A 49 19.540 -6.310 -1.164 1.00 0.00 C ATOM 730 C TYR A 49 18.116 -6.488 -0.761 1.00 0.00 C ATOM 731 O TYR A 49 17.666 -7.546 -0.387 1.00 0.00 O ATOM 732 CB TYR A 49 19.541 -6.042 -2.655 1.00 0.00 C ATOM 733 CG TYR A 49 20.151 -4.667 -2.847 1.00 0.00 C ATOM 734 CD1 TYR A 49 21.222 -4.287 -2.060 1.00 0.00 C ATOM 735 CD2 TYR A 49 19.626 -3.771 -3.746 1.00 0.00 C ATOM 736 CE1 TYR A 49 21.753 -3.022 -2.170 1.00 0.00 C ATOM 737 CE2 TYR A 49 20.160 -2.501 -3.858 1.00 0.00 C ATOM 738 CZ TYR A 49 21.227 -2.117 -3.069 1.00 0.00 C ATOM 739 OH TYR A 49 21.761 -0.851 -3.176 1.00 0.00 O ATOM 0 H TYR A 49 20.401 -8.179 -1.622 1.00 0.00 H new ATOM 0 HA TYR A 49 19.928 -5.501 -0.544 1.00 0.00 H new ATOM 0 HB2 TYR A 49 20.119 -6.800 -3.185 1.00 0.00 H new ATOM 0 HB3 TYR A 49 18.528 -6.076 -3.056 1.00 0.00 H new ATOM 0 HD1 TYR A 49 21.645 -4.987 -1.355 1.00 0.00 H new ATOM 0 HD2 TYR A 49 18.792 -4.060 -4.368 1.00 0.00 H new ATOM 0 HE1 TYR A 49 22.588 -2.735 -1.548 1.00 0.00 H new ATOM 0 HE2 TYR A 49 19.740 -1.804 -4.568 1.00 0.00 H new ATOM 0 HH TYR A 49 21.271 -0.346 -3.858 1.00 0.00 H new ATOM 749 N CYS A 50 17.431 -5.401 -0.872 1.00 0.00 N ATOM 750 CA CYS A 50 16.023 -5.378 -0.530 1.00 0.00 C ATOM 751 C CYS A 50 15.289 -4.675 -1.607 1.00 0.00 C ATOM 752 O CYS A 50 15.415 -3.478 -1.776 1.00 0.00 O ATOM 753 CB CYS A 50 15.824 -4.606 0.753 1.00 0.00 C ATOM 754 SG CYS A 50 16.635 -5.206 2.242 1.00 0.00 S ATOM 0 H CYS A 50 17.809 -4.510 -1.195 1.00 0.00 H new ATOM 0 HA CYS A 50 15.661 -6.399 -0.410 1.00 0.00 H new ATOM 0 HB2 CYS A 50 16.159 -3.583 0.581 1.00 0.00 H new ATOM 0 HB3 CYS A 50 14.753 -4.562 0.952 1.00 0.00 H new ATOM 759 N ARG A 51 14.534 -5.413 -2.306 1.00 0.00 N ATOM 760 CA ARG A 51 13.760 -4.812 -3.406 1.00 0.00 C ATOM 761 C ARG A 51 12.388 -5.460 -3.470 1.00 0.00 C ATOM 762 O ARG A 51 11.900 -5.978 -2.469 1.00 0.00 O ATOM 763 CB ARG A 51 14.556 -5.067 -4.710 1.00 0.00 C ATOM 764 CG ARG A 51 14.069 -4.124 -5.826 1.00 0.00 C ATOM 765 CD ARG A 51 15.058 -2.971 -5.997 1.00 0.00 C ATOM 766 NE ARG A 51 16.035 -3.335 -7.065 1.00 0.00 N ATOM 767 CZ ARG A 51 15.898 -2.850 -8.258 1.00 0.00 C ATOM 768 NH1 ARG A 51 14.936 -3.278 -9.003 1.00 0.00 N ATOM 769 NH2 ARG A 51 16.729 -1.952 -8.648 1.00 0.00 N ATOM 0 H ARG A 51 14.407 -6.417 -2.175 1.00 0.00 H new ATOM 0 HA ARG A 51 13.614 -3.742 -3.259 1.00 0.00 H new ATOM 0 HB2 ARG A 51 15.620 -4.911 -4.531 1.00 0.00 H new ATOM 0 HB3 ARG A 51 14.434 -6.104 -5.022 1.00 0.00 H new ATOM 0 HG2 ARG A 51 13.971 -4.673 -6.762 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.081 -3.735 -5.580 1.00 0.00 H new ATOM 0 HD2 ARG A 51 14.529 -2.056 -6.264 1.00 0.00 H new ATOM 0 HD3 ARG A 51 15.578 -2.777 -5.059 1.00 0.00 H new ATOM 0 HE ARG A 51 16.809 -3.965 -6.856 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.296 -3.989 -8.650 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.816 -2.905 -9.945 1.00 0.00 H new ATOM 0 HH21 ARG A 51 17.472 -1.639 -8.023 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.646 -1.552 -9.582 1.00 0.00 H new ATOM 783 N ASN A 52 11.766 -5.427 -4.613 1.00 0.00 N ATOM 784 CA ASN A 52 10.443 -6.049 -4.688 1.00 0.00 C ATOM 785 C ASN A 52 10.247 -6.978 -5.889 1.00 0.00 C ATOM 786 O ASN A 52 9.126 -7.185 -6.321 1.00 0.00 O ATOM 787 CB ASN A 52 9.375 -4.948 -4.765 1.00 0.00 C ATOM 788 CG ASN A 52 8.355 -5.116 -3.637 1.00 0.00 C ATOM 789 OD1 ASN A 52 7.230 -4.682 -3.747 1.00 0.00 O ATOM 790 ND2 ASN A 52 8.703 -5.721 -2.535 1.00 0.00 N ATOM 0 H ASN A 52 12.115 -5.004 -5.473 1.00 0.00 H new ATOM 0 HA ASN A 52 10.351 -6.662 -3.791 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.848 -3.968 -4.694 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.870 -4.989 -5.730 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.030 -5.825 -1.776 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.648 -6.090 -2.433 1.00 0.00 H new ATOM 797 N PRO A 53 11.313 -7.529 -6.425 1.00 0.00 N ATOM 798 CA PRO A 53 11.174 -8.416 -7.559 1.00 0.00 C ATOM 799 C PRO A 53 10.290 -9.603 -7.178 1.00 0.00 C ATOM 800 O PRO A 53 9.716 -10.244 -8.011 1.00 0.00 O ATOM 801 CB PRO A 53 12.608 -8.873 -7.882 1.00 0.00 C ATOM 802 CG PRO A 53 13.564 -8.060 -6.962 1.00 0.00 C ATOM 803 CD PRO A 53 12.686 -7.307 -5.964 1.00 0.00 C ATOM 0 HA PRO A 53 10.705 -7.936 -8.418 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.721 -9.943 -7.706 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.841 -8.697 -8.932 1.00 0.00 H new ATOM 0 HG2 PRO A 53 14.257 -8.723 -6.443 1.00 0.00 H new ATOM 0 HG3 PRO A 53 14.166 -7.365 -7.548 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.828 -7.683 -4.951 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.930 -6.245 -5.947 1.00 0.00 H new ATOM 811 N ASP A 54 10.199 -9.853 -5.908 1.00 0.00 N ATOM 812 CA ASP A 54 9.361 -10.989 -5.435 1.00 0.00 C ATOM 813 C ASP A 54 7.883 -10.562 -5.337 1.00 0.00 C ATOM 814 O ASP A 54 7.002 -11.379 -5.163 1.00 0.00 O ATOM 815 CB ASP A 54 9.896 -11.405 -4.057 1.00 0.00 C ATOM 816 CG ASP A 54 8.959 -12.429 -3.420 1.00 0.00 C ATOM 817 OD1 ASP A 54 9.084 -13.582 -3.802 1.00 0.00 O ATOM 818 OD2 ASP A 54 8.179 -12.003 -2.587 1.00 0.00 O ATOM 0 H ASP A 54 10.667 -9.322 -5.174 1.00 0.00 H new ATOM 0 HA ASP A 54 9.413 -11.824 -6.133 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.895 -11.828 -4.158 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.984 -10.530 -3.413 1.00 0.00 H new ATOM 823 N ASN A 55 7.667 -9.270 -5.458 1.00 0.00 N ATOM 824 CA ASN A 55 6.283 -8.697 -5.388 1.00 0.00 C ATOM 825 C ASN A 55 5.750 -8.579 -3.953 1.00 0.00 C ATOM 826 O ASN A 55 4.922 -9.362 -3.523 1.00 0.00 O ATOM 827 CB ASN A 55 5.330 -9.584 -6.209 1.00 0.00 C ATOM 828 CG ASN A 55 4.037 -8.819 -6.459 1.00 0.00 C ATOM 829 OD1 ASN A 55 3.829 -8.257 -7.508 1.00 0.00 O ATOM 830 ND2 ASN A 55 3.148 -8.768 -5.521 1.00 0.00 N ATOM 0 H ASN A 55 8.403 -8.580 -5.604 1.00 0.00 H new ATOM 0 HA ASN A 55 6.333 -7.687 -5.794 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.794 -9.860 -7.156 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.122 -10.511 -5.674 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.279 -8.256 -5.670 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.316 -9.240 -4.633 1.00 0.00 H new ATOM 837 N ASP A 56 6.219 -7.583 -3.257 1.00 0.00 N ATOM 838 CA ASP A 56 5.763 -7.380 -1.856 1.00 0.00 C ATOM 839 C ASP A 56 5.515 -5.880 -1.599 1.00 0.00 C ATOM 840 O ASP A 56 6.426 -5.126 -1.305 1.00 0.00 O ATOM 841 CB ASP A 56 6.865 -7.905 -0.897 1.00 0.00 C ATOM 842 CG ASP A 56 6.240 -8.781 0.208 1.00 0.00 C ATOM 843 OD1 ASP A 56 5.023 -8.869 0.220 1.00 0.00 O ATOM 844 OD2 ASP A 56 7.020 -9.310 0.976 1.00 0.00 O ATOM 0 H ASP A 56 6.897 -6.902 -3.597 1.00 0.00 H new ATOM 0 HA ASP A 56 4.833 -7.922 -1.685 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.599 -8.484 -1.458 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.396 -7.066 -0.448 1.00 0.00 H new ATOM 849 N PRO A 57 4.265 -5.474 -1.720 1.00 0.00 N ATOM 850 CA PRO A 57 3.879 -4.070 -1.507 1.00 0.00 C ATOM 851 C PRO A 57 4.256 -3.569 -0.108 1.00 0.00 C ATOM 852 O PRO A 57 4.639 -2.422 0.061 1.00 0.00 O ATOM 853 CB PRO A 57 2.342 -4.057 -1.674 1.00 0.00 C ATOM 854 CG PRO A 57 1.897 -5.504 -2.048 1.00 0.00 C ATOM 855 CD PRO A 57 3.158 -6.386 -2.056 1.00 0.00 C ATOM 0 HA PRO A 57 4.395 -3.413 -2.207 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.859 -3.734 -0.752 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.047 -3.352 -2.452 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.170 -5.880 -1.328 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.414 -5.516 -3.025 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.079 -7.194 -1.329 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.310 -6.848 -3.031 1.00 0.00 H new ATOM 863 N GLN A 58 4.153 -4.441 0.855 1.00 0.00 N ATOM 864 CA GLN A 58 4.493 -4.061 2.253 1.00 0.00 C ATOM 865 C GLN A 58 5.845 -3.354 2.333 1.00 0.00 C ATOM 866 O GLN A 58 6.047 -2.487 3.165 1.00 0.00 O ATOM 867 CB GLN A 58 4.537 -5.342 3.125 1.00 0.00 C ATOM 868 CG GLN A 58 4.691 -6.593 2.232 1.00 0.00 C ATOM 869 CD GLN A 58 3.308 -7.108 1.815 1.00 0.00 C ATOM 870 OE1 GLN A 58 2.452 -6.359 1.398 1.00 0.00 O ATOM 871 NE2 GLN A 58 3.056 -8.371 1.905 1.00 0.00 N ATOM 0 H GLN A 58 3.846 -5.406 0.733 1.00 0.00 H new ATOM 0 HA GLN A 58 3.730 -3.372 2.615 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.368 -5.284 3.827 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.625 -5.419 3.717 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.280 -6.349 1.348 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.232 -7.371 2.771 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.770 -9.010 2.255 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.143 -8.730 1.626 1.00 0.00 H new ATOM 880 N GLY A 59 6.749 -3.734 1.466 1.00 0.00 N ATOM 881 CA GLY A 59 8.101 -3.078 1.490 1.00 0.00 C ATOM 882 C GLY A 59 9.162 -3.929 0.770 1.00 0.00 C ATOM 883 O GLY A 59 8.934 -5.070 0.424 1.00 0.00 O ATOM 0 H GLY A 59 6.619 -4.454 0.755 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.038 -2.098 1.016 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.407 -2.913 2.523 1.00 0.00 H new ATOM 887 N PRO A 60 10.313 -3.328 0.552 1.00 0.00 N ATOM 888 CA PRO A 60 11.423 -4.010 -0.120 1.00 0.00 C ATOM 889 C PRO A 60 11.992 -5.081 0.817 1.00 0.00 C ATOM 890 O PRO A 60 12.809 -4.797 1.674 1.00 0.00 O ATOM 891 CB PRO A 60 12.469 -2.901 -0.363 1.00 0.00 C ATOM 892 CG PRO A 60 11.977 -1.629 0.397 1.00 0.00 C ATOM 893 CD PRO A 60 10.576 -1.936 0.948 1.00 0.00 C ATOM 0 HA PRO A 60 11.127 -4.502 -1.046 1.00 0.00 H new ATOM 0 HB2 PRO A 60 13.449 -3.211 -0.001 1.00 0.00 H new ATOM 0 HB3 PRO A 60 12.573 -2.697 -1.429 1.00 0.00 H new ATOM 0 HG2 PRO A 60 12.661 -1.377 1.207 1.00 0.00 H new ATOM 0 HG3 PRO A 60 11.946 -0.770 -0.273 1.00 0.00 H new ATOM 0 HD2 PRO A 60 10.543 -1.820 2.031 1.00 0.00 H new ATOM 0 HD3 PRO A 60 9.830 -1.259 0.532 1.00 0.00 H new ATOM 901 N TRP A 61 11.545 -6.287 0.617 1.00 0.00 N ATOM 902 CA TRP A 61 12.018 -7.432 1.471 1.00 0.00 C ATOM 903 C TRP A 61 13.469 -7.767 1.212 1.00 0.00 C ATOM 904 O TRP A 61 14.075 -7.287 0.269 1.00 0.00 O ATOM 905 CB TRP A 61 11.228 -8.686 1.085 1.00 0.00 C ATOM 906 CG TRP A 61 11.732 -9.069 -0.284 1.00 0.00 C ATOM 907 CD1 TRP A 61 11.385 -8.423 -1.355 1.00 0.00 C ATOM 908 CD2 TRP A 61 12.688 -9.948 -0.546 1.00 0.00 C ATOM 909 NE1 TRP A 61 12.168 -8.925 -2.300 1.00 0.00 N ATOM 910 CE2 TRP A 61 13.023 -9.886 -1.879 1.00 0.00 C ATOM 911 CE3 TRP A 61 13.362 -10.829 0.276 1.00 0.00 C ATOM 912 CZ2 TRP A 61 14.016 -10.674 -2.397 1.00 0.00 C ATOM 913 CZ3 TRP A 61 14.364 -11.630 -0.245 1.00 0.00 C ATOM 914 CH2 TRP A 61 14.688 -11.550 -1.582 1.00 0.00 C ATOM 0 H TRP A 61 10.868 -6.540 -0.103 1.00 0.00 H new ATOM 0 HA TRP A 61 11.882 -7.138 2.512 1.00 0.00 H new ATOM 0 HB2 TRP A 61 11.391 -9.490 1.803 1.00 0.00 H new ATOM 0 HB3 TRP A 61 10.157 -8.486 1.068 1.00 0.00 H new ATOM 0 HD1 TRP A 61 10.633 -7.654 -1.454 1.00 0.00 H new ATOM 0 HE1 TRP A 61 12.129 -8.611 -3.270 1.00 0.00 H new ATOM 0 HE3 TRP A 61 13.108 -10.893 1.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 14.270 -10.606 -3.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 14.893 -12.319 0.398 1.00 0.00 H new ATOM 0 HH2 TRP A 61 15.469 -12.176 -1.988 1.00 0.00 H new ATOM 925 N CYS A 62 13.974 -8.618 2.052 1.00 0.00 N ATOM 926 CA CYS A 62 15.378 -9.058 1.943 1.00 0.00 C ATOM 927 C CYS A 62 15.642 -10.090 3.008 1.00 0.00 C ATOM 928 O CYS A 62 15.261 -9.904 4.147 1.00 0.00 O ATOM 929 CB CYS A 62 16.283 -7.861 2.156 1.00 0.00 C ATOM 930 SG CYS A 62 18.077 -8.165 2.248 1.00 0.00 S ATOM 0 H CYS A 62 13.457 -9.034 2.826 1.00 0.00 H new ATOM 0 HA CYS A 62 15.569 -9.488 0.960 1.00 0.00 H new ATOM 0 HB2 CYS A 62 16.103 -7.155 1.345 1.00 0.00 H new ATOM 0 HB3 CYS A 62 15.978 -7.369 3.080 1.00 0.00 H new ATOM 935 N TYR A 63 16.269 -11.159 2.639 1.00 0.00 N ATOM 936 CA TYR A 63 16.541 -12.190 3.655 1.00 0.00 C ATOM 937 C TYR A 63 17.856 -11.939 4.372 1.00 0.00 C ATOM 938 O TYR A 63 18.567 -10.987 4.088 1.00 0.00 O ATOM 939 CB TYR A 63 16.594 -13.571 2.978 1.00 0.00 C ATOM 940 CG TYR A 63 15.194 -14.190 2.942 1.00 0.00 C ATOM 941 CD1 TYR A 63 14.110 -13.455 2.523 1.00 0.00 C ATOM 942 CD2 TYR A 63 15.000 -15.498 3.337 1.00 0.00 C ATOM 943 CE1 TYR A 63 12.850 -14.016 2.499 1.00 0.00 C ATOM 944 CE2 TYR A 63 13.741 -16.056 3.313 1.00 0.00 C ATOM 945 CZ TYR A 63 12.658 -15.319 2.894 1.00 0.00 C ATOM 946 OH TYR A 63 11.402 -15.872 2.879 1.00 0.00 O ATOM 0 H TYR A 63 16.599 -11.361 1.695 1.00 0.00 H new ATOM 0 HA TYR A 63 15.739 -12.154 4.392 1.00 0.00 H new ATOM 0 HB2 TYR A 63 16.984 -13.474 1.965 1.00 0.00 H new ATOM 0 HB3 TYR A 63 17.276 -14.225 3.521 1.00 0.00 H new ATOM 0 HD1 TYR A 63 14.246 -12.430 2.210 1.00 0.00 H new ATOM 0 HD2 TYR A 63 15.842 -16.089 3.667 1.00 0.00 H new ATOM 0 HE1 TYR A 63 12.008 -13.427 2.167 1.00 0.00 H new ATOM 0 HE2 TYR A 63 13.603 -17.080 3.626 1.00 0.00 H new ATOM 0 HH TYR A 63 11.450 -16.801 3.188 1.00 0.00 H new ATOM 956 N THR A 64 18.143 -12.795 5.304 1.00 0.00 N ATOM 957 CA THR A 64 19.398 -12.651 6.069 1.00 0.00 C ATOM 958 C THR A 64 20.043 -14.019 6.300 1.00 0.00 C ATOM 959 O THR A 64 19.418 -15.042 6.110 1.00 0.00 O ATOM 960 CB THR A 64 19.093 -11.966 7.405 1.00 0.00 C ATOM 961 OG1 THR A 64 19.034 -13.004 8.378 1.00 0.00 O ATOM 962 CG2 THR A 64 17.686 -11.330 7.399 1.00 0.00 C ATOM 0 H THR A 64 17.560 -13.589 5.568 1.00 0.00 H new ATOM 0 HA THR A 64 20.101 -12.040 5.503 1.00 0.00 H new ATOM 0 HB THR A 64 19.846 -11.202 7.598 1.00 0.00 H new ATOM 0 HG1 THR A 64 18.122 -13.360 8.422 1.00 0.00 H new ATOM 0 HG21 THR A 64 17.499 -10.852 8.360 1.00 0.00 H new ATOM 0 HG22 THR A 64 17.627 -10.585 6.605 1.00 0.00 H new ATOM 0 HG23 THR A 64 16.938 -12.104 7.227 1.00 0.00 H new ATOM 970 N THR A 65 21.273 -14.003 6.714 1.00 0.00 N ATOM 971 CA THR A 65 22.011 -15.286 6.967 1.00 0.00 C ATOM 972 C THR A 65 21.376 -16.202 8.018 1.00 0.00 C ATOM 973 O THR A 65 21.929 -17.250 8.302 1.00 0.00 O ATOM 974 CB THR A 65 23.414 -14.926 7.463 1.00 0.00 C ATOM 975 OG1 THR A 65 23.204 -13.997 8.507 1.00 0.00 O ATOM 976 CG2 THR A 65 24.193 -14.139 6.399 1.00 0.00 C ATOM 0 H THR A 65 21.811 -13.155 6.892 1.00 0.00 H new ATOM 0 HA THR A 65 21.999 -15.836 6.026 1.00 0.00 H new ATOM 0 HB THR A 65 23.955 -15.833 7.733 1.00 0.00 H new ATOM 0 HG1 THR A 65 24.068 -13.720 8.878 1.00 0.00 H new ATOM 0 HG21 THR A 65 25.185 -13.897 6.779 1.00 0.00 H new ATOM 0 HG22 THR A 65 24.287 -14.743 5.496 1.00 0.00 H new ATOM 0 HG23 THR A 65 23.660 -13.218 6.165 1.00 0.00 H new ATOM 984 N ASP A 66 20.246 -15.837 8.567 1.00 0.00 N ATOM 985 CA ASP A 66 19.644 -16.739 9.590 1.00 0.00 C ATOM 986 C ASP A 66 18.113 -16.872 9.486 1.00 0.00 C ATOM 987 O ASP A 66 17.416 -15.909 9.287 1.00 0.00 O ATOM 988 CB ASP A 66 19.963 -16.123 10.944 1.00 0.00 C ATOM 989 CG ASP A 66 21.119 -16.869 11.586 1.00 0.00 C ATOM 990 OD1 ASP A 66 20.881 -17.997 11.979 1.00 0.00 O ATOM 991 OD2 ASP A 66 22.174 -16.267 11.649 1.00 0.00 O ATOM 0 H ASP A 66 19.729 -14.982 8.360 1.00 0.00 H new ATOM 0 HA ASP A 66 20.055 -17.738 9.443 1.00 0.00 H new ATOM 0 HB2 ASP A 66 20.219 -15.070 10.824 1.00 0.00 H new ATOM 0 HB3 ASP A 66 19.086 -16.167 11.590 1.00 0.00 H new ATOM 996 N PRO A 67 17.637 -18.099 9.642 1.00 0.00 N ATOM 997 CA PRO A 67 16.197 -18.400 9.577 1.00 0.00 C ATOM 998 C PRO A 67 15.409 -17.570 10.610 1.00 0.00 C ATOM 999 O PRO A 67 14.385 -16.996 10.290 1.00 0.00 O ATOM 1000 CB PRO A 67 16.097 -19.904 9.920 1.00 0.00 C ATOM 1001 CG PRO A 67 17.551 -20.427 10.137 1.00 0.00 C ATOM 1002 CD PRO A 67 18.507 -19.251 9.862 1.00 0.00 C ATOM 0 HA PRO A 67 15.777 -18.160 8.600 1.00 0.00 H new ATOM 0 HB2 PRO A 67 15.496 -20.055 10.817 1.00 0.00 H new ATOM 0 HB3 PRO A 67 15.608 -20.451 9.114 1.00 0.00 H new ATOM 0 HG2 PRO A 67 17.679 -20.796 11.155 1.00 0.00 H new ATOM 0 HG3 PRO A 67 17.764 -21.260 9.467 1.00 0.00 H new ATOM 0 HD2 PRO A 67 19.178 -19.083 10.704 1.00 0.00 H new ATOM 0 HD3 PRO A 67 19.132 -19.446 8.990 1.00 0.00 H new ATOM 1010 N GLU A 68 15.899 -17.529 11.832 1.00 0.00 N ATOM 1011 CA GLU A 68 15.186 -16.737 12.892 1.00 0.00 C ATOM 1012 C GLU A 68 14.942 -15.318 12.381 1.00 0.00 C ATOM 1013 O GLU A 68 13.907 -14.721 12.609 1.00 0.00 O ATOM 1014 CB GLU A 68 16.101 -16.668 14.128 1.00 0.00 C ATOM 1015 CG GLU A 68 16.215 -18.064 14.757 1.00 0.00 C ATOM 1016 CD GLU A 68 15.082 -18.267 15.759 1.00 0.00 C ATOM 1017 OE1 GLU A 68 13.975 -18.464 15.287 1.00 0.00 O ATOM 1018 OE2 GLU A 68 15.386 -18.212 16.940 1.00 0.00 O ATOM 0 H GLU A 68 16.749 -18.002 12.138 1.00 0.00 H new ATOM 0 HA GLU A 68 14.233 -17.205 13.140 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.088 -16.304 13.843 1.00 0.00 H new ATOM 0 HB3 GLU A 68 15.698 -15.962 14.854 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.170 -18.828 13.981 1.00 0.00 H new ATOM 0 HG3 GLU A 68 17.178 -18.172 15.255 1.00 0.00 H new ATOM 1025 N LYS A 69 15.923 -14.832 11.693 1.00 0.00 N ATOM 1026 CA LYS A 69 15.867 -13.473 11.113 1.00 0.00 C ATOM 1027 C LYS A 69 15.949 -13.630 9.614 1.00 0.00 C ATOM 1028 O LYS A 69 16.552 -12.855 8.941 1.00 0.00 O ATOM 1029 CB LYS A 69 17.109 -12.706 11.594 1.00 0.00 C ATOM 1030 CG LYS A 69 18.361 -13.557 11.298 1.00 0.00 C ATOM 1031 CD LYS A 69 19.608 -12.850 11.868 1.00 0.00 C ATOM 1032 CE LYS A 69 20.368 -12.153 10.738 1.00 0.00 C ATOM 1033 NZ LYS A 69 19.492 -11.143 10.082 1.00 0.00 N ATOM 0 H LYS A 69 16.789 -15.336 11.502 1.00 0.00 H new ATOM 0 HA LYS A 69 14.959 -12.944 11.403 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.178 -11.743 11.088 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.036 -12.500 12.662 1.00 0.00 H new ATOM 0 HG2 LYS A 69 18.255 -14.546 11.743 1.00 0.00 H new ATOM 0 HG3 LYS A 69 18.471 -13.701 10.223 1.00 0.00 H new ATOM 0 HD2 LYS A 69 19.312 -12.122 12.623 1.00 0.00 H new ATOM 0 HD3 LYS A 69 20.255 -13.575 12.361 1.00 0.00 H new ATOM 0 HE2 LYS A 69 21.261 -11.670 11.134 1.00 0.00 H new ATOM 0 HE3 LYS A 69 20.701 -12.888 10.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 20.074 -10.495 9.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 18.808 -11.625 9.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 18.982 -10.602 10.809 1.00 0.00 H new ATOM 1047 N ARG A 70 15.319 -14.659 9.143 1.00 0.00 N ATOM 1048 CA ARG A 70 15.310 -14.955 7.687 1.00 0.00 C ATOM 1049 C ARG A 70 15.076 -13.752 6.786 1.00 0.00 C ATOM 1050 O ARG A 70 15.673 -13.679 5.740 1.00 0.00 O ATOM 1051 CB ARG A 70 14.195 -15.962 7.417 1.00 0.00 C ATOM 1052 CG ARG A 70 12.851 -15.229 7.383 1.00 0.00 C ATOM 1053 CD ARG A 70 11.771 -16.189 6.903 1.00 0.00 C ATOM 1054 NE ARG A 70 11.189 -16.892 8.083 1.00 0.00 N ATOM 1055 CZ ARG A 70 10.253 -17.754 7.905 1.00 0.00 C ATOM 1056 NH1 ARG A 70 10.540 -18.859 7.320 1.00 0.00 N ATOM 1057 NH2 ARG A 70 9.065 -17.478 8.312 1.00 0.00 N ATOM 0 H ARG A 70 14.798 -15.323 9.715 1.00 0.00 H new ATOM 0 HA ARG A 70 16.305 -15.329 7.448 1.00 0.00 H new ATOM 0 HB2 ARG A 70 14.370 -16.470 6.469 1.00 0.00 H new ATOM 0 HB3 ARG A 70 14.185 -16.728 8.192 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.604 -14.851 8.375 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.910 -14.367 6.719 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.993 -15.644 6.368 1.00 0.00 H new ATOM 0 HD3 ARG A 70 12.193 -16.911 6.204 1.00 0.00 H new ATOM 0 HE ARG A 70 11.531 -16.690 9.023 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.494 -19.038 7.008 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.814 -19.559 7.167 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.877 -16.586 8.769 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.311 -18.152 8.178 1.00 0.00 H new ATOM 1071 N TYR A 71 14.223 -12.833 7.186 1.00 0.00 N ATOM 1072 CA TYR A 71 13.989 -11.662 6.306 1.00 0.00 C ATOM 1073 C TYR A 71 13.073 -10.574 6.908 1.00 0.00 C ATOM 1074 O TYR A 71 12.578 -10.681 8.016 1.00 0.00 O ATOM 1075 CB TYR A 71 13.291 -12.197 5.034 1.00 0.00 C ATOM 1076 CG TYR A 71 11.766 -12.252 5.257 1.00 0.00 C ATOM 1077 CD1 TYR A 71 11.243 -12.609 6.487 1.00 0.00 C ATOM 1078 CD2 TYR A 71 10.896 -11.933 4.238 1.00 0.00 C ATOM 1079 CE1 TYR A 71 9.884 -12.645 6.689 1.00 0.00 C ATOM 1080 CE2 TYR A 71 9.532 -11.970 4.445 1.00 0.00 C ATOM 1081 CZ TYR A 71 9.021 -12.325 5.671 1.00 0.00 C ATOM 1082 OH TYR A 71 7.664 -12.348 5.879 1.00 0.00 O ATOM 0 H TYR A 71 13.697 -12.849 8.060 1.00 0.00 H new ATOM 0 HA TYR A 71 14.957 -11.192 6.131 1.00 0.00 H new ATOM 0 HB2 TYR A 71 13.520 -11.553 4.185 1.00 0.00 H new ATOM 0 HB3 TYR A 71 13.668 -13.191 4.792 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.910 -12.862 7.298 1.00 0.00 H new ATOM 0 HD2 TYR A 71 11.284 -11.652 3.270 1.00 0.00 H new ATOM 0 HE1 TYR A 71 9.493 -12.927 7.655 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.861 -11.718 3.637 1.00 0.00 H new ATOM 0 HH TYR A 71 7.202 -12.094 5.053 1.00 0.00 H new ATOM 1092 N ASP A 72 12.869 -9.568 6.086 1.00 0.00 N ATOM 1093 CA ASP A 72 12.012 -8.379 6.429 1.00 0.00 C ATOM 1094 C ASP A 72 12.279 -7.277 5.380 1.00 0.00 C ATOM 1095 O ASP A 72 13.161 -7.426 4.550 1.00 0.00 O ATOM 1096 CB ASP A 72 12.377 -7.834 7.843 1.00 0.00 C ATOM 1097 CG ASP A 72 11.107 -7.344 8.575 1.00 0.00 C ATOM 1098 OD1 ASP A 72 10.140 -7.054 7.875 1.00 0.00 O ATOM 1099 OD2 ASP A 72 11.183 -7.271 9.793 1.00 0.00 O ATOM 0 H ASP A 72 13.278 -9.520 5.153 1.00 0.00 H new ATOM 0 HA ASP A 72 10.962 -8.673 6.429 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.862 -8.616 8.427 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.091 -7.015 7.751 1.00 0.00 H new ATOM 1104 N TYR A 73 11.527 -6.209 5.412 1.00 0.00 N ATOM 1105 CA TYR A 73 11.774 -5.121 4.396 1.00 0.00 C ATOM 1106 C TYR A 73 12.770 -4.103 4.921 1.00 0.00 C ATOM 1107 O TYR A 73 12.474 -3.410 5.850 1.00 0.00 O ATOM 1108 CB TYR A 73 10.456 -4.387 4.096 1.00 0.00 C ATOM 1109 CG TYR A 73 9.291 -5.339 4.270 1.00 0.00 C ATOM 1110 CD1 TYR A 73 8.903 -6.164 3.239 1.00 0.00 C ATOM 1111 CD2 TYR A 73 8.617 -5.397 5.466 1.00 0.00 C ATOM 1112 CE1 TYR A 73 7.857 -7.033 3.404 1.00 0.00 C ATOM 1113 CE2 TYR A 73 7.569 -6.268 5.628 1.00 0.00 C ATOM 1114 CZ TYR A 73 7.182 -7.090 4.598 1.00 0.00 C ATOM 1115 OH TYR A 73 6.116 -7.951 4.757 1.00 0.00 O ATOM 0 H TYR A 73 10.771 -6.036 6.074 1.00 0.00 H new ATOM 0 HA TYR A 73 12.172 -5.588 3.495 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.344 -3.533 4.764 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.470 -3.996 3.079 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.426 -6.126 2.295 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.913 -4.754 6.282 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.561 -7.678 2.589 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.045 -6.307 6.572 1.00 0.00 H new ATOM 0 HH TYR A 73 5.756 -7.862 5.664 1.00 0.00 H new ATOM 1125 N CYS A 74 13.938 -4.042 4.304 1.00 0.00 N ATOM 1126 CA CYS A 74 15.002 -3.058 4.753 1.00 0.00 C ATOM 1127 C CYS A 74 14.424 -1.778 5.317 1.00 0.00 C ATOM 1128 O CYS A 74 13.308 -1.401 5.017 1.00 0.00 O ATOM 1129 CB CYS A 74 15.829 -2.625 3.533 1.00 0.00 C ATOM 1130 SG CYS A 74 17.326 -3.543 3.126 1.00 0.00 S ATOM 0 H CYS A 74 14.203 -4.627 3.512 1.00 0.00 H new ATOM 0 HA CYS A 74 15.584 -3.570 5.519 1.00 0.00 H new ATOM 0 HB2 CYS A 74 15.174 -2.659 2.662 1.00 0.00 H new ATOM 0 HB3 CYS A 74 16.111 -1.582 3.679 1.00 0.00 H new ATOM 1135 N ASP A 75 15.219 -1.106 6.096 1.00 0.00 N ATOM 1136 CA ASP A 75 14.753 0.150 6.688 1.00 0.00 C ATOM 1137 C ASP A 75 14.765 1.246 5.592 1.00 0.00 C ATOM 1138 O ASP A 75 15.151 2.375 5.809 1.00 0.00 O ATOM 1139 CB ASP A 75 15.703 0.509 7.860 1.00 0.00 C ATOM 1140 CG ASP A 75 15.242 1.819 8.500 1.00 0.00 C ATOM 1141 OD1 ASP A 75 14.088 1.844 8.895 1.00 0.00 O ATOM 1142 OD2 ASP A 75 16.071 2.712 8.559 1.00 0.00 O ATOM 0 H ASP A 75 16.170 -1.381 6.342 1.00 0.00 H new ATOM 0 HA ASP A 75 13.737 0.062 7.073 1.00 0.00 H new ATOM 0 HB2 ASP A 75 15.704 -0.291 8.601 1.00 0.00 H new ATOM 0 HB3 ASP A 75 16.726 0.608 7.497 1.00 0.00 H new ATOM 1147 N ILE A 76 14.341 0.843 4.410 1.00 0.00 N ATOM 1148 CA ILE A 76 14.289 1.766 3.251 1.00 0.00 C ATOM 1149 C ILE A 76 13.179 2.803 3.432 1.00 0.00 C ATOM 1150 O ILE A 76 12.100 2.487 3.893 1.00 0.00 O ATOM 1151 CB ILE A 76 13.994 0.911 1.997 1.00 0.00 C ATOM 1152 CG1 ILE A 76 15.285 0.672 1.217 1.00 0.00 C ATOM 1153 CG2 ILE A 76 13.008 1.660 1.080 1.00 0.00 C ATOM 1154 CD1 ILE A 76 14.981 -0.190 -0.005 1.00 0.00 C ATOM 0 H ILE A 76 14.026 -0.106 4.209 1.00 0.00 H new ATOM 0 HA ILE A 76 15.234 2.300 3.155 1.00 0.00 H new ATOM 0 HB ILE A 76 13.567 -0.040 2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 76 15.718 1.623 0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 76 16.021 0.178 1.851 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.802 1.055 0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 76 12.079 1.845 1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 76 13.445 2.611 0.775 1.00 0.00 H new ATOM 0 HD11 ILE A 76 15.900 -0.364 -0.565 1.00 0.00 H new ATOM 0 HD12 ILE A 76 14.567 -1.145 0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 76 14.259 0.322 -0.641 1.00 0.00 H new ATOM 1166 N LEU A 77 13.468 4.018 3.058 1.00 0.00 N ATOM 1167 CA LEU A 77 12.448 5.091 3.197 1.00 0.00 C ATOM 1168 C LEU A 77 11.184 4.729 2.412 1.00 0.00 C ATOM 1169 O LEU A 77 11.267 4.235 1.299 1.00 0.00 O ATOM 1170 CB LEU A 77 13.039 6.400 2.617 1.00 0.00 C ATOM 1171 CG LEU A 77 13.863 7.136 3.690 1.00 0.00 C ATOM 1172 CD1 LEU A 77 12.917 7.727 4.742 1.00 0.00 C ATOM 1173 CD2 LEU A 77 14.825 6.153 4.369 1.00 0.00 C ATOM 0 H LEU A 77 14.362 4.312 2.664 1.00 0.00 H new ATOM 0 HA LEU A 77 12.188 5.212 4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.669 6.173 1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 77 12.235 7.044 2.261 1.00 0.00 H new ATOM 0 HG LEU A 77 14.435 7.935 3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.499 8.248 5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.233 8.428 4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.345 6.925 5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.406 6.678 5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.255 5.352 4.839 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.499 5.730 3.624 1.00 0.00 H new ATOM 1185 N GLU A 78 10.041 4.974 3.008 1.00 0.00 N ATOM 1186 CA GLU A 78 8.749 4.653 2.320 1.00 0.00 C ATOM 1187 C GLU A 78 8.606 5.432 1.025 1.00 0.00 C ATOM 1188 O GLU A 78 8.541 4.858 -0.048 1.00 0.00 O ATOM 1189 CB GLU A 78 7.595 5.052 3.261 1.00 0.00 C ATOM 1190 CG GLU A 78 6.841 3.796 3.725 1.00 0.00 C ATOM 1191 CD GLU A 78 6.173 4.082 5.072 1.00 0.00 C ATOM 1192 OE1 GLU A 78 6.856 3.892 6.065 1.00 0.00 O ATOM 1193 OE2 GLU A 78 5.021 4.480 5.032 1.00 0.00 O ATOM 0 H GLU A 78 9.947 5.381 3.938 1.00 0.00 H new ATOM 0 HA GLU A 78 8.728 3.589 2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.987 5.591 4.124 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.912 5.728 2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.091 3.513 2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.530 2.957 3.818 1.00 0.00 H new ATOM 1200 N CYS A 79 8.559 6.723 1.161 1.00 0.00 N ATOM 1201 CA CYS A 79 8.420 7.608 -0.037 1.00 0.00 C ATOM 1202 C CYS A 79 7.120 7.314 -0.792 1.00 0.00 C ATOM 1203 O CYS A 79 7.213 6.631 -1.802 1.00 0.00 O ATOM 1204 CB CYS A 79 9.616 7.361 -0.974 1.00 0.00 C ATOM 1205 SG CYS A 79 11.275 7.518 -0.270 1.00 0.00 S ATOM 1206 OXT CYS A 79 6.106 7.791 -0.317 1.00 0.00 O ATOM 0 H CYS A 79 8.611 7.213 2.054 1.00 0.00 H new ATOM 0 HA CYS A 79 8.397 8.646 0.294 1.00 0.00 H new ATOM 0 HB2 CYS A 79 9.519 6.356 -1.386 1.00 0.00 H new ATOM 0 HB3 CYS A 79 9.538 8.057 -1.810 1.00 0.00 H new TER 1211 CYS A 79