USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 471 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 37 TYR OH : rot -23:sc= 0.437 USER MOD Set 1.2: A 39 GLN : amide:sc= -1.69! X(o=-1.3!,f=-1.7) USER MOD Single : A 1 ALA N :NH3+ -119:sc= 0.122 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.796 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.324 X(o=-0.32,f=-0.32) USER MOD Single : A 11 ASN : amide:sc= -4.9! C(o=-4.9!,f=-13!) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.0429 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -4.15! C(o=-4.1!,f=-4.1!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.39 K(o=-1.4,f=-3.1!) USER MOD Single : A 29 THR OG1 : rot -55:sc= 0.294 USER MOD Single : A 31 ASN : amide:sc= -2.18 K(o=-2.2,f=-1.4) USER MOD Single : A 35 SER OG : rot 38:sc= 0.75 USER MOD Single : A 43 LYS NZ :NH3+ -154:sc= -0.0576 (180deg=-0.337) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -11.3! C(o=-11!,f=-3.5!) USER MOD Single : A 52 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.0085) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HE2:sc= -5.98! C(o=-6!,f=-8.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.614 -0.183 0.268 1.00 0.00 N ATOM 2 CA ALA A 1 2.141 -0.112 -1.089 1.00 0.00 C ATOM 3 C ALA A 1 2.199 -1.495 -1.728 1.00 0.00 C ATOM 4 O ALA A 1 1.857 -2.496 -1.098 1.00 0.00 O ATOM 5 CB ALA A 1 3.521 0.529 -1.086 1.00 0.00 C ATOM 0 H1 ALA A 1 0.740 0.378 0.331 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.408 -1.173 0.509 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.317 0.196 0.934 1.00 0.00 H new ATOM 0 HA ALA A 1 1.467 0.506 -1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.903 0.576 -2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.453 1.537 -0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.197 -0.066 -0.472 1.00 0.00 H new ATOM 11 N ARG A 2 2.633 -1.544 -2.984 1.00 0.00 N ATOM 12 CA ARG A 2 2.734 -2.805 -3.708 1.00 0.00 C ATOM 13 C ARG A 2 3.784 -2.715 -4.812 1.00 0.00 C ATOM 14 O ARG A 2 4.142 -1.624 -5.254 1.00 0.00 O ATOM 15 CB ARG A 2 1.378 -3.183 -4.308 1.00 0.00 C ATOM 16 CG ARG A 2 0.577 -1.990 -4.803 1.00 0.00 C ATOM 17 CD ARG A 2 -0.670 -2.428 -5.553 1.00 0.00 C ATOM 18 NE ARG A 2 -1.055 -1.468 -6.584 1.00 0.00 N ATOM 19 CZ ARG A 2 -0.520 -1.442 -7.800 1.00 0.00 C ATOM 20 NH1 ARG A 2 0.416 -2.318 -8.135 1.00 0.00 N ATOM 21 NH2 ARG A 2 -0.923 -0.537 -8.684 1.00 0.00 N ATOM 0 H ARG A 2 2.920 -0.725 -3.520 1.00 0.00 H new ATOM 0 HA ARG A 2 3.039 -3.577 -3.002 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.537 -3.873 -5.137 1.00 0.00 H new ATOM 0 HB3 ARG A 2 0.794 -3.716 -3.558 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.293 -1.365 -3.956 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.199 -1.378 -5.456 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.494 -3.401 -6.012 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -1.492 -2.552 -4.848 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.774 -0.780 -6.358 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.728 -3.015 -7.459 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.825 -2.295 -9.069 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.644 0.139 -8.430 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -0.512 -0.517 -9.617 1.00 0.00 H new ATOM 35 N ASP A 3 4.272 -3.870 -5.252 1.00 0.00 N ATOM 36 CA ASP A 3 5.280 -3.922 -6.305 1.00 0.00 C ATOM 37 C ASP A 3 4.627 -4.067 -7.676 1.00 0.00 C ATOM 38 O ASP A 3 3.739 -4.898 -7.866 1.00 0.00 O ATOM 39 CB ASP A 3 6.245 -5.083 -6.060 1.00 0.00 C ATOM 40 CG ASP A 3 6.802 -5.086 -4.650 1.00 0.00 C ATOM 41 OD1 ASP A 3 6.480 -4.154 -3.883 1.00 0.00 O ATOM 42 OD2 ASP A 3 7.559 -6.019 -4.313 1.00 0.00 O ATOM 0 H ASP A 3 3.986 -4.782 -4.896 1.00 0.00 H new ATOM 0 HA ASP A 3 5.838 -2.986 -6.286 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.730 -6.025 -6.246 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.068 -5.024 -6.772 1.00 0.00 H new ATOM 47 N ALA A 4 5.073 -3.254 -8.627 1.00 0.00 N ATOM 48 CA ALA A 4 4.532 -3.292 -9.981 1.00 0.00 C ATOM 49 C ALA A 4 5.294 -2.346 -10.903 1.00 0.00 C ATOM 50 O ALA A 4 6.249 -1.691 -10.485 1.00 0.00 O ATOM 51 CB ALA A 4 3.052 -2.942 -9.968 1.00 0.00 C ATOM 0 H ALA A 4 5.808 -2.561 -8.486 1.00 0.00 H new ATOM 0 HA ALA A 4 4.651 -4.305 -10.365 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.662 -2.974 -10.985 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.514 -3.660 -9.350 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.919 -1.940 -9.560 1.00 0.00 H new ATOM 57 N TYR A 5 4.866 -2.281 -12.159 1.00 0.00 N ATOM 58 CA TYR A 5 5.510 -1.417 -13.142 1.00 0.00 C ATOM 59 C TYR A 5 4.964 0.005 -13.058 1.00 0.00 C ATOM 60 O TYR A 5 3.751 0.215 -13.031 1.00 0.00 O ATOM 61 CB TYR A 5 5.305 -1.973 -14.552 1.00 0.00 C ATOM 62 CG TYR A 5 5.612 -3.448 -14.672 1.00 0.00 C ATOM 63 CD1 TYR A 5 6.918 -3.895 -14.834 1.00 0.00 C ATOM 64 CD2 TYR A 5 4.597 -4.396 -14.626 1.00 0.00 C ATOM 65 CE1 TYR A 5 7.204 -5.242 -14.945 1.00 0.00 C ATOM 66 CE2 TYR A 5 4.874 -5.745 -14.735 1.00 0.00 C ATOM 67 CZ TYR A 5 6.179 -6.163 -14.894 1.00 0.00 C ATOM 68 OH TYR A 5 6.458 -7.506 -15.005 1.00 0.00 O ATOM 0 H TYR A 5 4.076 -2.816 -12.520 1.00 0.00 H new ATOM 0 HA TYR A 5 6.577 -1.390 -12.921 1.00 0.00 H new ATOM 0 HB2 TYR A 5 4.272 -1.800 -14.855 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.938 -1.421 -15.247 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.723 -3.177 -14.874 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.574 -4.073 -14.503 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.225 -5.572 -15.071 1.00 0.00 H new ATOM 0 HE2 TYR A 5 4.073 -6.469 -14.696 1.00 0.00 H new ATOM 0 HH TYR A 5 5.625 -8.019 -14.948 1.00 0.00 H new ATOM 78 N ILE A 6 5.868 0.977 -13.019 1.00 0.00 N ATOM 79 CA ILE A 6 5.478 2.380 -12.940 1.00 0.00 C ATOM 80 C ILE A 6 4.941 2.877 -14.278 1.00 0.00 C ATOM 81 O ILE A 6 5.543 2.641 -15.326 1.00 0.00 O ATOM 82 CB ILE A 6 6.659 3.269 -12.511 1.00 0.00 C ATOM 83 CG1 ILE A 6 6.300 4.747 -12.679 1.00 0.00 C ATOM 84 CG2 ILE A 6 7.902 2.925 -13.318 1.00 0.00 C ATOM 85 CD1 ILE A 6 7.086 5.667 -11.771 1.00 0.00 C ATOM 0 H ILE A 6 6.876 0.820 -13.041 1.00 0.00 H new ATOM 0 HA ILE A 6 4.692 2.447 -12.188 1.00 0.00 H new ATOM 0 HB ILE A 6 6.871 3.083 -11.458 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.472 5.039 -13.715 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.236 4.879 -12.483 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.728 3.562 -13.003 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.166 1.880 -13.152 1.00 0.00 H new ATOM 0 HG23 ILE A 6 7.704 3.086 -14.378 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.779 6.698 -11.945 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.895 5.402 -10.731 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.150 5.564 -11.982 1.00 0.00 H new ATOM 97 N ALA A 7 3.806 3.567 -14.235 1.00 0.00 N ATOM 98 CA ALA A 7 3.190 4.101 -15.443 1.00 0.00 C ATOM 99 C ALA A 7 3.766 5.468 -15.795 1.00 0.00 C ATOM 100 O ALA A 7 4.265 6.185 -14.927 1.00 0.00 O ATOM 101 CB ALA A 7 1.681 4.190 -15.271 1.00 0.00 C ATOM 0 H ALA A 7 3.294 3.769 -13.376 1.00 0.00 H new ATOM 0 HA ALA A 7 3.411 3.420 -16.265 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.234 4.590 -16.181 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.278 3.196 -15.076 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.448 4.847 -14.433 1.00 0.00 H new ATOM 107 N LYS A 8 3.695 5.825 -17.073 1.00 0.00 N ATOM 108 CA LYS A 8 4.208 7.107 -17.540 1.00 0.00 C ATOM 109 C LYS A 8 3.202 7.794 -18.458 1.00 0.00 C ATOM 110 O LYS A 8 2.230 7.192 -18.914 1.00 0.00 O ATOM 111 CB LYS A 8 5.535 6.910 -18.277 1.00 0.00 C ATOM 112 CG LYS A 8 5.436 7.130 -19.776 1.00 0.00 C ATOM 113 CD LYS A 8 6.532 6.387 -20.522 1.00 0.00 C ATOM 114 CE LYS A 8 7.871 7.100 -20.400 1.00 0.00 C ATOM 115 NZ LYS A 8 8.107 8.034 -21.536 1.00 0.00 N ATOM 0 H LYS A 8 3.286 5.243 -17.805 1.00 0.00 H new ATOM 0 HA LYS A 8 4.373 7.743 -16.670 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.275 7.596 -17.866 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.899 5.900 -18.090 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.461 6.794 -20.130 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.505 8.196 -19.994 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.620 5.375 -20.128 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.261 6.297 -21.574 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.904 7.654 -19.462 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.673 6.363 -20.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.029 8.500 -21.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.101 7.502 -22.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.356 8.753 -21.556 1.00 0.00 H new ATOM 129 N PRO A 9 3.439 9.084 -18.736 1.00 0.00 N ATOM 130 CA PRO A 9 2.565 9.880 -19.604 1.00 0.00 C ATOM 131 C PRO A 9 2.648 9.448 -21.064 1.00 0.00 C ATOM 132 O PRO A 9 3.629 9.733 -21.751 1.00 0.00 O ATOM 133 CB PRO A 9 3.101 11.304 -19.437 1.00 0.00 C ATOM 134 CG PRO A 9 4.527 11.128 -19.042 1.00 0.00 C ATOM 135 CD PRO A 9 4.578 9.866 -18.227 1.00 0.00 C ATOM 0 HA PRO A 9 1.514 9.771 -19.335 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.014 11.871 -20.364 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.544 11.850 -18.676 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.169 11.052 -19.920 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.880 11.981 -18.463 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.521 9.337 -18.364 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.480 10.072 -17.161 1.00 0.00 H new ATOM 143 N HIS A 10 1.613 8.759 -21.532 1.00 0.00 N ATOM 144 CA HIS A 10 0.466 8.436 -20.691 1.00 0.00 C ATOM 145 C HIS A 10 0.106 6.958 -20.805 1.00 0.00 C ATOM 146 O HIS A 10 -0.049 6.431 -21.906 1.00 0.00 O ATOM 147 CB HIS A 10 -0.737 9.297 -21.079 1.00 0.00 C ATOM 148 CG HIS A 10 -0.825 10.583 -20.316 1.00 0.00 C ATOM 149 ND1 HIS A 10 -1.645 10.753 -19.220 1.00 0.00 N ATOM 150 CD2 HIS A 10 -0.188 11.764 -20.494 1.00 0.00 C ATOM 151 CE1 HIS A 10 -1.510 11.983 -18.759 1.00 0.00 C ATOM 152 NE2 HIS A 10 -0.631 12.617 -19.514 1.00 0.00 N ATOM 0 H HIS A 10 1.545 8.413 -22.489 1.00 0.00 H new ATOM 0 HA HIS A 10 0.736 8.647 -19.656 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -0.685 9.519 -22.145 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -1.650 8.725 -20.917 1.00 0.00 H new ATOM 0 HD2 HIS A 10 0.534 11.993 -21.264 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -2.030 12.400 -17.909 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -0.330 13.584 -19.389 1.00 0.00 H new ATOM 160 N ASN A 11 -0.025 6.295 -19.661 1.00 0.00 N ATOM 161 CA ASN A 11 -0.365 4.877 -19.633 1.00 0.00 C ATOM 162 C ASN A 11 0.692 4.051 -20.360 1.00 0.00 C ATOM 163 O ASN A 11 0.379 3.043 -20.995 1.00 0.00 O ATOM 164 CB ASN A 11 -1.736 4.648 -20.271 1.00 0.00 C ATOM 165 CG ASN A 11 -2.406 3.386 -19.763 1.00 0.00 C ATOM 166 OD1 ASN A 11 -3.116 3.409 -18.757 1.00 0.00 O ATOM 167 ND2 ASN A 11 -2.183 2.277 -20.458 1.00 0.00 N ATOM 0 H ASN A 11 0.099 6.717 -18.741 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.399 4.556 -18.592 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -2.377 5.505 -20.065 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.624 4.586 -21.354 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -2.607 1.397 -20.164 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.587 2.305 -21.286 1.00 0.00 H new ATOM 174 N CYS A 12 1.944 4.483 -20.262 1.00 0.00 N ATOM 175 CA CYS A 12 3.048 3.784 -20.909 1.00 0.00 C ATOM 176 C CYS A 12 4.005 3.202 -19.873 1.00 0.00 C ATOM 177 O CYS A 12 4.115 3.711 -18.758 1.00 0.00 O ATOM 178 CB CYS A 12 3.804 4.734 -21.841 1.00 0.00 C ATOM 179 SG CYS A 12 2.773 6.058 -22.549 1.00 0.00 S ATOM 0 H CYS A 12 2.220 5.315 -19.740 1.00 0.00 H new ATOM 0 HA CYS A 12 2.633 2.964 -21.495 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.629 5.186 -21.290 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.242 4.156 -22.654 1.00 0.00 H new ATOM 184 N VAL A 13 4.695 2.130 -20.250 1.00 0.00 N ATOM 185 CA VAL A 13 5.644 1.478 -19.355 1.00 0.00 C ATOM 186 C VAL A 13 7.007 2.160 -19.408 1.00 0.00 C ATOM 187 O VAL A 13 7.377 2.752 -20.421 1.00 0.00 O ATOM 188 CB VAL A 13 5.814 -0.012 -19.706 1.00 0.00 C ATOM 189 CG1 VAL A 13 4.533 -0.567 -20.311 1.00 0.00 C ATOM 190 CG2 VAL A 13 6.988 -0.206 -20.652 1.00 0.00 C ATOM 0 H VAL A 13 4.615 1.695 -21.169 1.00 0.00 H new ATOM 0 HA VAL A 13 5.238 1.562 -18.347 1.00 0.00 H new ATOM 0 HB VAL A 13 6.023 -0.562 -18.788 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.672 -1.621 -20.553 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.718 -0.463 -19.595 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.291 -0.015 -21.219 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.093 -1.265 -20.889 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.813 0.356 -21.570 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.901 0.152 -20.177 1.00 0.00 H new ATOM 200 N TYR A 14 7.749 2.071 -18.309 1.00 0.00 N ATOM 201 CA TYR A 14 9.071 2.681 -18.229 1.00 0.00 C ATOM 202 C TYR A 14 10.159 1.670 -18.578 1.00 0.00 C ATOM 203 O TYR A 14 10.683 0.981 -17.704 1.00 0.00 O ATOM 204 CB TYR A 14 9.312 3.243 -16.827 1.00 0.00 C ATOM 205 CG TYR A 14 8.888 4.686 -16.672 1.00 0.00 C ATOM 206 CD1 TYR A 14 7.781 5.027 -15.904 1.00 0.00 C ATOM 207 CD2 TYR A 14 9.593 5.709 -17.295 1.00 0.00 C ATOM 208 CE1 TYR A 14 7.390 6.344 -15.760 1.00 0.00 C ATOM 209 CE2 TYR A 14 9.210 7.029 -17.155 1.00 0.00 C ATOM 210 CZ TYR A 14 8.108 7.341 -16.387 1.00 0.00 C ATOM 211 OH TYR A 14 7.722 8.655 -16.247 1.00 0.00 O ATOM 0 H TYR A 14 7.457 1.583 -17.462 1.00 0.00 H new ATOM 0 HA TYR A 14 9.112 3.496 -18.952 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.771 2.634 -16.103 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.372 3.157 -16.587 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.217 4.249 -15.411 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.455 5.468 -17.899 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.527 6.592 -15.160 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.770 7.812 -17.644 1.00 0.00 H new ATOM 0 HH TYR A 14 8.334 9.231 -16.751 1.00 0.00 H new ATOM 221 N GLU A 15 10.494 1.591 -19.862 1.00 0.00 N ATOM 222 CA GLU A 15 11.519 0.664 -20.328 1.00 0.00 C ATOM 223 C GLU A 15 12.885 1.033 -19.755 1.00 0.00 C ATOM 224 O GLU A 15 13.261 2.205 -19.720 1.00 0.00 O ATOM 225 CB GLU A 15 11.579 0.661 -21.857 1.00 0.00 C ATOM 226 CG GLU A 15 12.314 -0.536 -22.434 1.00 0.00 C ATOM 227 CD GLU A 15 11.376 -1.654 -22.846 1.00 0.00 C ATOM 228 OE1 GLU A 15 11.863 -2.665 -23.394 1.00 0.00 O ATOM 229 OE2 GLU A 15 10.155 -1.517 -22.621 1.00 0.00 O ATOM 0 H GLU A 15 10.071 2.157 -20.598 1.00 0.00 H new ATOM 0 HA GLU A 15 11.255 -0.335 -19.981 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.563 0.678 -22.252 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.068 1.575 -22.195 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.896 -0.218 -23.299 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.021 -0.914 -21.696 1.00 0.00 H new ATOM 236 N CYS A 16 13.623 0.023 -19.305 1.00 0.00 N ATOM 237 CA CYS A 16 14.946 0.239 -18.733 1.00 0.00 C ATOM 238 C CYS A 16 16.008 0.306 -19.827 1.00 0.00 C ATOM 239 O CYS A 16 15.797 -0.172 -20.942 1.00 0.00 O ATOM 240 CB CYS A 16 15.286 -0.879 -17.745 1.00 0.00 C ATOM 241 SG CYS A 16 15.892 -2.407 -18.531 1.00 0.00 S ATOM 0 H CYS A 16 13.327 -0.953 -19.326 1.00 0.00 H new ATOM 0 HA CYS A 16 14.934 1.192 -18.204 1.00 0.00 H new ATOM 0 HB2 CYS A 16 16.042 -0.517 -17.049 1.00 0.00 H new ATOM 0 HB3 CYS A 16 14.398 -1.113 -17.158 1.00 0.00 H new ATOM 246 N TYR A 17 17.149 0.902 -19.499 1.00 0.00 N ATOM 247 CA TYR A 17 18.244 1.034 -20.454 1.00 0.00 C ATOM 248 C TYR A 17 19.269 -0.080 -20.265 1.00 0.00 C ATOM 249 O TYR A 17 19.892 -0.535 -21.223 1.00 0.00 O ATOM 250 CB TYR A 17 18.921 2.397 -20.300 1.00 0.00 C ATOM 251 CG TYR A 17 19.369 3.002 -21.611 1.00 0.00 C ATOM 252 CD1 TYR A 17 19.562 4.372 -21.736 1.00 0.00 C ATOM 253 CD2 TYR A 17 19.598 2.203 -22.725 1.00 0.00 C ATOM 254 CE1 TYR A 17 19.971 4.929 -22.933 1.00 0.00 C ATOM 255 CE2 TYR A 17 20.008 2.752 -23.925 1.00 0.00 C ATOM 256 CZ TYR A 17 20.193 4.115 -24.024 1.00 0.00 C ATOM 257 OH TYR A 17 20.600 4.666 -25.217 1.00 0.00 O ATOM 0 H TYR A 17 17.340 1.301 -18.580 1.00 0.00 H new ATOM 0 HA TYR A 17 17.828 0.954 -21.458 1.00 0.00 H new ATOM 0 HB2 TYR A 17 18.230 3.083 -19.810 1.00 0.00 H new ATOM 0 HB3 TYR A 17 19.785 2.292 -19.644 1.00 0.00 H new ATOM 0 HD1 TYR A 17 19.390 5.013 -20.884 1.00 0.00 H new ATOM 0 HD2 TYR A 17 19.453 1.135 -22.652 1.00 0.00 H new ATOM 0 HE1 TYR A 17 20.116 5.996 -23.014 1.00 0.00 H new ATOM 0 HE2 TYR A 17 20.183 2.117 -24.781 1.00 0.00 H new ATOM 0 HH TYR A 17 20.713 3.956 -25.884 1.00 0.00 H new ATOM 267 N ASN A 18 19.437 -0.515 -19.020 1.00 0.00 N ATOM 268 CA ASN A 18 20.387 -1.576 -18.703 1.00 0.00 C ATOM 269 C ASN A 18 19.976 -2.311 -17.431 1.00 0.00 C ATOM 270 O ASN A 18 19.408 -1.731 -16.505 1.00 0.00 O ATOM 271 CB ASN A 18 21.794 -0.998 -18.540 1.00 0.00 C ATOM 272 CG ASN A 18 22.872 -1.970 -18.977 1.00 0.00 C ATOM 273 OD1 ASN A 18 23.667 -2.441 -18.163 1.00 0.00 O ATOM 274 ND2 ASN A 18 22.905 -2.275 -20.270 1.00 0.00 N ATOM 0 H ASN A 18 18.928 -0.150 -18.215 1.00 0.00 H new ATOM 0 HA ASN A 18 20.388 -2.288 -19.529 1.00 0.00 H new ATOM 0 HB2 ASN A 18 21.877 -0.081 -19.124 1.00 0.00 H new ATOM 0 HB3 ASN A 18 21.954 -0.727 -17.496 1.00 0.00 H new ATOM 0 HD21 ASN A 18 23.609 -2.923 -20.623 1.00 0.00 H new ATOM 0 HD22 ASN A 18 22.226 -1.861 -20.909 1.00 0.00 H new ATOM 281 N PRO A 19 20.269 -3.619 -17.382 1.00 0.00 N ATOM 282 CA PRO A 19 19.941 -4.462 -16.229 1.00 0.00 C ATOM 283 C PRO A 19 20.788 -4.127 -15.006 1.00 0.00 C ATOM 284 O PRO A 19 20.327 -4.237 -13.869 1.00 0.00 O ATOM 285 CB PRO A 19 20.252 -5.877 -16.723 1.00 0.00 C ATOM 286 CG PRO A 19 21.271 -5.689 -17.793 1.00 0.00 C ATOM 287 CD PRO A 19 20.945 -4.376 -18.450 1.00 0.00 C ATOM 0 HA PRO A 19 18.909 -4.326 -15.906 1.00 0.00 H new ATOM 0 HB2 PRO A 19 20.635 -6.502 -15.917 1.00 0.00 H new ATOM 0 HB3 PRO A 19 19.358 -6.367 -17.109 1.00 0.00 H new ATOM 0 HG2 PRO A 19 22.278 -5.677 -17.375 1.00 0.00 H new ATOM 0 HG3 PRO A 19 21.235 -6.506 -18.514 1.00 0.00 H new ATOM 0 HD2 PRO A 19 21.844 -3.866 -18.797 1.00 0.00 H new ATOM 0 HD3 PRO A 19 20.299 -4.510 -19.318 1.00 0.00 H new ATOM 295 N LYS A 20 22.028 -3.716 -15.246 1.00 0.00 N ATOM 296 CA LYS A 20 22.940 -3.362 -14.164 1.00 0.00 C ATOM 297 C LYS A 20 22.904 -1.862 -13.892 1.00 0.00 C ATOM 298 O LYS A 20 23.863 -1.293 -13.372 1.00 0.00 O ATOM 299 CB LYS A 20 24.367 -3.794 -14.511 1.00 0.00 C ATOM 300 CG LYS A 20 24.712 -5.193 -14.029 1.00 0.00 C ATOM 301 CD LYS A 20 24.766 -5.262 -12.512 1.00 0.00 C ATOM 302 CE LYS A 20 25.162 -6.650 -12.031 1.00 0.00 C ATOM 303 NZ LYS A 20 24.575 -6.964 -10.699 1.00 0.00 N ATOM 0 H LYS A 20 22.425 -3.620 -16.181 1.00 0.00 H new ATOM 0 HA LYS A 20 22.617 -3.885 -13.264 1.00 0.00 H new ATOM 0 HB2 LYS A 20 24.499 -3.748 -15.592 1.00 0.00 H new ATOM 0 HB3 LYS A 20 25.069 -3.084 -14.074 1.00 0.00 H new ATOM 0 HG2 LYS A 20 23.970 -5.900 -14.400 1.00 0.00 H new ATOM 0 HG3 LYS A 20 25.674 -5.494 -14.442 1.00 0.00 H new ATOM 0 HD2 LYS A 20 25.481 -4.529 -12.139 1.00 0.00 H new ATOM 0 HD3 LYS A 20 23.792 -4.997 -12.100 1.00 0.00 H new ATOM 0 HE2 LYS A 20 24.833 -7.393 -12.757 1.00 0.00 H new ATOM 0 HE3 LYS A 20 26.248 -6.718 -11.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 24.868 -7.918 -10.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 24.909 -6.270 -10.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 23.537 -6.924 -10.759 1.00 0.00 H new ATOM 317 N GLY A 21 21.791 -1.227 -14.245 1.00 0.00 N ATOM 318 CA GLY A 21 21.651 0.202 -14.029 1.00 0.00 C ATOM 319 C GLY A 21 20.567 0.532 -13.022 1.00 0.00 C ATOM 320 O GLY A 21 19.456 0.008 -13.101 1.00 0.00 O ATOM 0 H GLY A 21 20.983 -1.676 -14.677 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.601 0.609 -13.682 1.00 0.00 H new ATOM 0 HA3 GLY A 21 21.423 0.689 -14.977 1.00 0.00 H new ATOM 324 N SER A 22 20.891 1.403 -12.071 1.00 0.00 N ATOM 325 CA SER A 22 19.938 1.798 -11.040 1.00 0.00 C ATOM 326 C SER A 22 19.025 2.913 -11.543 1.00 0.00 C ATOM 327 O SER A 22 18.482 3.688 -10.756 1.00 0.00 O ATOM 328 CB SER A 22 20.676 2.257 -9.782 1.00 0.00 C ATOM 329 OG SER A 22 21.093 1.149 -9.002 1.00 0.00 O ATOM 0 H SER A 22 21.805 1.848 -11.993 1.00 0.00 H new ATOM 0 HA SER A 22 19.324 0.931 -10.796 1.00 0.00 H new ATOM 0 HB2 SER A 22 21.543 2.855 -10.063 1.00 0.00 H new ATOM 0 HB3 SER A 22 20.025 2.899 -9.189 1.00 0.00 H new ATOM 0 HG SER A 22 21.564 1.469 -8.204 1.00 0.00 H new ATOM 335 N TYR A 23 18.863 2.987 -12.860 1.00 0.00 N ATOM 336 CA TYR A 23 18.019 4.008 -13.469 1.00 0.00 C ATOM 337 C TYR A 23 16.562 3.828 -13.056 1.00 0.00 C ATOM 338 O TYR A 23 15.870 4.796 -12.738 1.00 0.00 O ATOM 339 CB TYR A 23 18.139 3.955 -14.993 1.00 0.00 C ATOM 340 CG TYR A 23 17.165 4.863 -15.709 1.00 0.00 C ATOM 341 CD1 TYR A 23 16.580 4.478 -16.909 1.00 0.00 C ATOM 342 CD2 TYR A 23 16.829 6.105 -15.186 1.00 0.00 C ATOM 343 CE1 TYR A 23 15.689 5.304 -17.567 1.00 0.00 C ATOM 344 CE2 TYR A 23 15.938 6.937 -15.837 1.00 0.00 C ATOM 345 CZ TYR A 23 15.371 6.532 -17.027 1.00 0.00 C ATOM 346 OH TYR A 23 14.485 7.358 -17.679 1.00 0.00 O ATOM 0 H TYR A 23 19.305 2.353 -13.525 1.00 0.00 H new ATOM 0 HA TYR A 23 18.359 4.982 -13.118 1.00 0.00 H new ATOM 0 HB2 TYR A 23 19.155 4.228 -15.279 1.00 0.00 H new ATOM 0 HB3 TYR A 23 17.979 2.930 -15.326 1.00 0.00 H new ATOM 0 HD1 TYR A 23 16.826 3.516 -17.335 1.00 0.00 H new ATOM 0 HD2 TYR A 23 17.272 6.426 -14.255 1.00 0.00 H new ATOM 0 HE1 TYR A 23 15.244 4.989 -18.499 1.00 0.00 H new ATOM 0 HE2 TYR A 23 15.687 7.899 -15.416 1.00 0.00 H new ATOM 0 HH TYR A 23 14.369 8.184 -17.165 1.00 0.00 H new ATOM 356 N CYS A 24 16.101 2.582 -13.062 1.00 0.00 N ATOM 357 CA CYS A 24 14.727 2.272 -12.688 1.00 0.00 C ATOM 358 C CYS A 24 14.494 2.537 -11.204 1.00 0.00 C ATOM 359 O CYS A 24 13.468 3.093 -10.815 1.00 0.00 O ATOM 360 CB CYS A 24 14.404 0.812 -13.014 1.00 0.00 C ATOM 361 SG CYS A 24 12.720 0.300 -12.544 1.00 0.00 S ATOM 0 H CYS A 24 16.660 1.770 -13.322 1.00 0.00 H new ATOM 0 HA CYS A 24 14.066 2.920 -13.263 1.00 0.00 H new ATOM 0 HB2 CYS A 24 14.535 0.652 -14.084 1.00 0.00 H new ATOM 0 HB3 CYS A 24 15.123 0.170 -12.505 1.00 0.00 H new ATOM 366 N ASN A 25 15.456 2.135 -10.379 1.00 0.00 N ATOM 367 CA ASN A 25 15.356 2.329 -8.937 1.00 0.00 C ATOM 368 C ASN A 25 15.115 3.798 -8.600 1.00 0.00 C ATOM 369 O ASN A 25 14.139 4.140 -7.933 1.00 0.00 O ATOM 370 CB ASN A 25 16.630 1.838 -8.246 1.00 0.00 C ATOM 371 CG ASN A 25 16.367 1.333 -6.840 1.00 0.00 C ATOM 372 OD1 ASN A 25 16.344 0.127 -6.596 1.00 0.00 O ATOM 373 ND2 ASN A 25 16.168 2.257 -5.907 1.00 0.00 N ATOM 0 H ASN A 25 16.313 1.673 -10.684 1.00 0.00 H new ATOM 0 HA ASN A 25 14.507 1.748 -8.576 1.00 0.00 H new ATOM 0 HB2 ASN A 25 17.077 1.039 -8.838 1.00 0.00 H new ATOM 0 HB3 ASN A 25 17.356 2.651 -8.208 1.00 0.00 H new ATOM 0 HD21 ASN A 25 15.987 1.978 -4.943 1.00 0.00 H new ATOM 0 HD22 ASN A 25 16.196 3.246 -6.155 1.00 0.00 H new ATOM 380 N ASP A 26 16.011 4.660 -9.067 1.00 0.00 N ATOM 381 CA ASP A 26 15.896 6.092 -8.818 1.00 0.00 C ATOM 382 C ASP A 26 14.543 6.619 -9.287 1.00 0.00 C ATOM 383 O ASP A 26 13.825 7.275 -8.532 1.00 0.00 O ATOM 384 CB ASP A 26 17.023 6.847 -9.524 1.00 0.00 C ATOM 385 CG ASP A 26 18.297 6.886 -8.703 1.00 0.00 C ATOM 386 OD1 ASP A 26 18.239 6.548 -7.502 1.00 0.00 O ATOM 387 OD2 ASP A 26 19.351 7.254 -9.261 1.00 0.00 O ATOM 0 H ASP A 26 16.825 4.392 -9.620 1.00 0.00 H new ATOM 0 HA ASP A 26 15.977 6.256 -7.743 1.00 0.00 H new ATOM 0 HB2 ASP A 26 17.227 6.374 -10.484 1.00 0.00 H new ATOM 0 HB3 ASP A 26 16.698 7.866 -9.734 1.00 0.00 H new ATOM 392 N LEU A 27 14.202 6.327 -10.537 1.00 0.00 N ATOM 393 CA LEU A 27 12.935 6.772 -11.108 1.00 0.00 C ATOM 394 C LEU A 27 11.757 6.253 -10.290 1.00 0.00 C ATOM 395 O LEU A 27 10.770 6.960 -10.086 1.00 0.00 O ATOM 396 CB LEU A 27 12.813 6.299 -12.558 1.00 0.00 C ATOM 397 CG LEU A 27 11.395 6.009 -13.051 1.00 0.00 C ATOM 398 CD1 LEU A 27 10.510 7.234 -12.883 1.00 0.00 C ATOM 399 CD2 LEU A 27 11.418 5.561 -14.506 1.00 0.00 C ATOM 0 H LEU A 27 14.785 5.784 -11.175 1.00 0.00 H new ATOM 0 HA LEU A 27 12.917 7.862 -11.085 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.253 7.058 -13.205 1.00 0.00 H new ATOM 0 HB3 LEU A 27 13.409 5.394 -12.676 1.00 0.00 H new ATOM 0 HG LEU A 27 10.980 5.201 -12.449 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.505 7.008 -13.239 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.468 7.511 -11.830 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.922 8.062 -13.460 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.401 5.359 -14.841 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.853 6.348 -15.122 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.017 4.655 -14.598 1.00 0.00 H new ATOM 411 N CYS A 28 11.869 5.014 -9.822 1.00 0.00 N ATOM 412 CA CYS A 28 10.815 4.400 -9.024 1.00 0.00 C ATOM 413 C CYS A 28 10.594 5.172 -7.727 1.00 0.00 C ATOM 414 O CYS A 28 9.467 5.538 -7.392 1.00 0.00 O ATOM 415 CB CYS A 28 11.166 2.944 -8.712 1.00 0.00 C ATOM 416 SG CYS A 28 10.737 1.774 -10.040 1.00 0.00 S ATOM 0 H CYS A 28 12.679 4.416 -9.982 1.00 0.00 H new ATOM 0 HA CYS A 28 9.892 4.428 -9.603 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.235 2.874 -8.512 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.651 2.645 -7.799 1.00 0.00 H new ATOM 421 N THR A 29 11.680 5.416 -6.998 1.00 0.00 N ATOM 422 CA THR A 29 11.606 6.143 -5.738 1.00 0.00 C ATOM 423 C THR A 29 11.110 7.568 -5.953 1.00 0.00 C ATOM 424 O THR A 29 10.557 8.186 -5.044 1.00 0.00 O ATOM 425 CB THR A 29 12.976 6.189 -5.035 1.00 0.00 C ATOM 426 OG1 THR A 29 13.702 7.351 -5.451 1.00 0.00 O ATOM 427 CG2 THR A 29 13.787 4.940 -5.348 1.00 0.00 C ATOM 0 H THR A 29 12.620 5.120 -7.260 1.00 0.00 H new ATOM 0 HA THR A 29 10.899 5.607 -5.105 1.00 0.00 H new ATOM 0 HB THR A 29 12.806 6.233 -3.959 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.765 7.364 -6.429 1.00 0.00 H new ATOM 0 HG21 THR A 29 14.750 4.995 -4.841 1.00 0.00 H new ATOM 0 HG22 THR A 29 13.245 4.059 -5.004 1.00 0.00 H new ATOM 0 HG23 THR A 29 13.947 4.870 -6.424 1.00 0.00 H new ATOM 435 N GLU A 30 11.312 8.084 -7.161 1.00 0.00 N ATOM 436 CA GLU A 30 10.885 9.438 -7.494 1.00 0.00 C ATOM 437 C GLU A 30 9.378 9.594 -7.308 1.00 0.00 C ATOM 438 O GLU A 30 8.876 10.702 -7.127 1.00 0.00 O ATOM 439 CB GLU A 30 11.270 9.778 -8.936 1.00 0.00 C ATOM 440 CG GLU A 30 11.442 11.267 -9.185 1.00 0.00 C ATOM 441 CD GLU A 30 12.645 11.844 -8.464 1.00 0.00 C ATOM 442 OE1 GLU A 30 12.760 13.086 -8.404 1.00 0.00 O ATOM 443 OE2 GLU A 30 13.471 11.054 -7.962 1.00 0.00 O ATOM 0 H GLU A 30 11.768 7.585 -7.925 1.00 0.00 H new ATOM 0 HA GLU A 30 11.391 10.128 -6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.200 9.267 -9.185 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.504 9.392 -9.608 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.546 11.443 -10.256 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.543 11.792 -8.862 1.00 0.00 H new ATOM 450 N ASN A 31 8.663 8.475 -7.356 1.00 0.00 N ATOM 451 CA ASN A 31 7.214 8.486 -7.194 1.00 0.00 C ATOM 452 C ASN A 31 6.818 7.999 -5.803 1.00 0.00 C ATOM 453 O ASN A 31 5.692 7.553 -5.587 1.00 0.00 O ATOM 454 CB ASN A 31 6.553 7.611 -8.260 1.00 0.00 C ATOM 455 CG ASN A 31 6.817 8.115 -9.666 1.00 0.00 C ATOM 456 OD1 ASN A 31 5.889 8.466 -10.396 1.00 0.00 O ATOM 457 ND2 ASN A 31 8.087 8.152 -10.053 1.00 0.00 N ATOM 0 H ASN A 31 9.064 7.549 -7.506 1.00 0.00 H new ATOM 0 HA ASN A 31 6.869 9.513 -7.312 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.922 6.589 -8.168 1.00 0.00 H new ATOM 0 HB3 ASN A 31 5.478 7.579 -8.084 1.00 0.00 H new ATOM 0 HD21 ASN A 31 8.326 8.481 -10.989 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.824 7.851 -9.415 1.00 0.00 H new ATOM 464 N GLY A 32 7.753 8.088 -4.862 1.00 0.00 N ATOM 465 CA GLY A 32 7.483 7.653 -3.504 1.00 0.00 C ATOM 466 C GLY A 32 7.668 6.159 -3.327 1.00 0.00 C ATOM 467 O GLY A 32 7.146 5.570 -2.380 1.00 0.00 O ATOM 0 H GLY A 32 8.693 8.454 -5.016 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.145 8.182 -2.818 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.462 7.924 -3.235 1.00 0.00 H new ATOM 471 N ALA A 33 8.412 5.543 -4.240 1.00 0.00 N ATOM 472 CA ALA A 33 8.665 4.109 -4.179 1.00 0.00 C ATOM 473 C ALA A 33 9.852 3.799 -3.273 1.00 0.00 C ATOM 474 O ALA A 33 10.792 4.586 -3.176 1.00 0.00 O ATOM 475 CB ALA A 33 8.907 3.556 -5.576 1.00 0.00 C ATOM 0 H ALA A 33 8.850 6.015 -5.031 1.00 0.00 H new ATOM 0 HA ALA A 33 7.783 3.627 -3.757 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.095 2.484 -5.515 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.029 3.736 -6.196 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.771 4.051 -6.019 1.00 0.00 H new ATOM 481 N GLU A 34 9.800 2.647 -2.611 1.00 0.00 N ATOM 482 CA GLU A 34 10.870 2.234 -1.712 1.00 0.00 C ATOM 483 C GLU A 34 12.092 1.767 -2.498 1.00 0.00 C ATOM 484 O GLU A 34 13.228 1.918 -2.048 1.00 0.00 O ATOM 485 CB GLU A 34 10.387 1.115 -0.787 1.00 0.00 C ATOM 486 CG GLU A 34 11.025 1.146 0.592 1.00 0.00 C ATOM 487 CD GLU A 34 10.533 2.306 1.436 1.00 0.00 C ATOM 488 OE1 GLU A 34 10.991 2.433 2.592 1.00 0.00 O ATOM 489 OE2 GLU A 34 9.691 3.085 0.943 1.00 0.00 O ATOM 0 H GLU A 34 9.028 1.984 -2.681 1.00 0.00 H new ATOM 0 HA GLU A 34 11.155 3.096 -1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.305 1.186 -0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.598 0.153 -1.254 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.812 0.210 1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.108 1.212 0.486 1.00 0.00 H new ATOM 496 N SER A 35 11.849 1.198 -3.674 1.00 0.00 N ATOM 497 CA SER A 35 12.928 0.705 -4.522 1.00 0.00 C ATOM 498 C SER A 35 12.446 0.509 -5.956 1.00 0.00 C ATOM 499 O SER A 35 11.273 0.718 -6.263 1.00 0.00 O ATOM 500 CB SER A 35 13.475 -0.614 -3.971 1.00 0.00 C ATOM 501 OG SER A 35 14.530 -0.385 -3.053 1.00 0.00 O ATOM 0 H SER A 35 10.915 1.067 -4.061 1.00 0.00 H new ATOM 0 HA SER A 35 13.725 1.449 -4.524 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.674 -1.166 -3.479 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.832 -1.235 -4.793 1.00 0.00 H new ATOM 0 HG SER A 35 14.329 0.409 -2.515 1.00 0.00 H new ATOM 507 N GLY A 36 13.363 0.107 -6.832 1.00 0.00 N ATOM 508 CA GLY A 36 13.013 -0.109 -8.224 1.00 0.00 C ATOM 509 C GLY A 36 14.159 -0.696 -9.024 1.00 0.00 C ATOM 510 O GLY A 36 15.325 -0.523 -8.671 1.00 0.00 O ATOM 0 H GLY A 36 14.341 -0.073 -6.603 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.154 -0.778 -8.280 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.709 0.838 -8.671 1.00 0.00 H new ATOM 514 N TYR A 37 13.827 -1.395 -10.105 1.00 0.00 N ATOM 515 CA TYR A 37 14.837 -2.013 -10.955 1.00 0.00 C ATOM 516 C TYR A 37 14.238 -2.435 -12.293 1.00 0.00 C ATOM 517 O TYR A 37 13.018 -2.477 -12.456 1.00 0.00 O ATOM 518 CB TYR A 37 15.451 -3.225 -10.254 1.00 0.00 C ATOM 519 CG TYR A 37 14.483 -4.371 -10.064 1.00 0.00 C ATOM 520 CD1 TYR A 37 14.319 -5.338 -11.048 1.00 0.00 C ATOM 521 CD2 TYR A 37 13.730 -4.485 -8.902 1.00 0.00 C ATOM 522 CE1 TYR A 37 13.435 -6.386 -10.879 1.00 0.00 C ATOM 523 CE2 TYR A 37 12.845 -5.530 -8.724 1.00 0.00 C ATOM 524 CZ TYR A 37 12.700 -6.478 -9.716 1.00 0.00 C ATOM 525 OH TYR A 37 11.818 -7.520 -9.543 1.00 0.00 O ATOM 0 H TYR A 37 12.866 -1.547 -10.412 1.00 0.00 H new ATOM 0 HA TYR A 37 15.618 -1.276 -11.143 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.305 -3.575 -10.833 1.00 0.00 H new ATOM 0 HB3 TYR A 37 15.831 -2.917 -9.280 1.00 0.00 H new ATOM 0 HD1 TYR A 37 14.892 -5.269 -11.961 1.00 0.00 H new ATOM 0 HD2 TYR A 37 13.839 -3.743 -8.124 1.00 0.00 H new ATOM 0 HE1 TYR A 37 13.320 -7.129 -11.654 1.00 0.00 H new ATOM 0 HE2 TYR A 37 12.269 -5.605 -7.813 1.00 0.00 H new ATOM 0 HH TYR A 37 11.551 -7.872 -10.418 1.00 0.00 H new ATOM 535 N CYS A 38 15.105 -2.749 -13.250 1.00 0.00 N ATOM 536 CA CYS A 38 14.665 -3.168 -14.575 1.00 0.00 C ATOM 537 C CYS A 38 14.132 -4.598 -14.544 1.00 0.00 C ATOM 538 O CYS A 38 14.849 -5.529 -14.177 1.00 0.00 O ATOM 539 CB CYS A 38 15.818 -3.063 -15.575 1.00 0.00 C ATOM 540 SG CYS A 38 15.478 -3.845 -17.185 1.00 0.00 S ATOM 0 H CYS A 38 16.118 -2.721 -13.132 1.00 0.00 H new ATOM 0 HA CYS A 38 13.859 -2.505 -14.890 1.00 0.00 H new ATOM 0 HB2 CYS A 38 16.051 -2.010 -15.736 1.00 0.00 H new ATOM 0 HB3 CYS A 38 16.705 -3.523 -15.140 1.00 0.00 H new ATOM 545 N GLN A 39 12.872 -4.762 -14.931 1.00 0.00 N ATOM 546 CA GLN A 39 12.243 -6.078 -14.947 1.00 0.00 C ATOM 547 C GLN A 39 12.139 -6.614 -16.371 1.00 0.00 C ATOM 548 O GLN A 39 11.620 -5.941 -17.261 1.00 0.00 O ATOM 549 CB GLN A 39 10.854 -6.011 -14.312 1.00 0.00 C ATOM 550 CG GLN A 39 10.200 -7.371 -14.132 1.00 0.00 C ATOM 551 CD GLN A 39 10.164 -7.815 -12.683 1.00 0.00 C ATOM 552 OE1 GLN A 39 11.005 -8.597 -12.239 1.00 0.00 O ATOM 553 NE2 GLN A 39 9.186 -7.316 -11.935 1.00 0.00 N ATOM 0 H GLN A 39 12.266 -4.001 -15.238 1.00 0.00 H new ATOM 0 HA GLN A 39 12.867 -6.758 -14.367 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.931 -5.523 -13.340 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.210 -5.387 -14.932 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.183 -7.335 -14.522 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.742 -8.111 -14.721 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.510 -6.671 -12.344 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.111 -7.578 -10.952 1.00 0.00 H new ATOM 562 N ILE A 40 12.636 -7.829 -16.578 1.00 0.00 N ATOM 563 CA ILE A 40 12.598 -8.455 -17.894 1.00 0.00 C ATOM 564 C ILE A 40 11.385 -9.370 -18.032 1.00 0.00 C ATOM 565 O ILE A 40 10.841 -9.536 -19.124 1.00 0.00 O ATOM 566 CB ILE A 40 13.876 -9.270 -18.167 1.00 0.00 C ATOM 567 CG1 ILE A 40 15.021 -8.774 -17.283 1.00 0.00 C ATOM 568 CG2 ILE A 40 14.257 -9.180 -19.637 1.00 0.00 C ATOM 569 CD1 ILE A 40 15.319 -7.301 -17.449 1.00 0.00 C ATOM 0 H ILE A 40 13.069 -8.399 -15.852 1.00 0.00 H new ATOM 0 HA ILE A 40 12.528 -7.650 -18.625 1.00 0.00 H new ATOM 0 HB ILE A 40 13.682 -10.315 -17.925 1.00 0.00 H new ATOM 0 HG12 ILE A 40 14.775 -8.971 -16.240 1.00 0.00 H new ATOM 0 HG13 ILE A 40 15.920 -9.346 -17.512 1.00 0.00 H new ATOM 0 HG21 ILE A 40 15.162 -9.761 -19.815 1.00 0.00 H new ATOM 0 HG22 ILE A 40 13.446 -9.576 -20.248 1.00 0.00 H new ATOM 0 HG23 ILE A 40 14.436 -8.138 -19.903 1.00 0.00 H new ATOM 0 HD11 ILE A 40 16.142 -7.020 -16.792 1.00 0.00 H new ATOM 0 HD12 ILE A 40 15.597 -7.100 -18.484 1.00 0.00 H new ATOM 0 HD13 ILE A 40 14.434 -6.719 -17.191 1.00 0.00 H new ATOM 581 N LEU A 41 10.966 -9.960 -16.918 1.00 0.00 N ATOM 582 CA LEU A 41 9.816 -10.857 -16.914 1.00 0.00 C ATOM 583 C LEU A 41 8.511 -10.070 -16.966 1.00 0.00 C ATOM 584 O LEU A 41 7.583 -10.337 -16.204 1.00 0.00 O ATOM 585 CB LEU A 41 9.841 -11.744 -15.667 1.00 0.00 C ATOM 586 CG LEU A 41 9.237 -13.140 -15.825 1.00 0.00 C ATOM 587 CD1 LEU A 41 9.706 -14.053 -14.702 1.00 0.00 C ATOM 588 CD2 LEU A 41 7.718 -13.063 -15.854 1.00 0.00 C ATOM 0 H LEU A 41 11.405 -9.833 -16.006 1.00 0.00 H new ATOM 0 HA LEU A 41 9.874 -11.487 -17.802 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.876 -11.852 -15.343 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.309 -11.228 -14.868 1.00 0.00 H new ATOM 0 HG LEU A 41 9.577 -13.559 -16.772 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.267 -15.042 -14.830 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.793 -14.132 -14.728 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.395 -13.639 -13.743 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.305 -14.065 -15.967 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.358 -12.625 -14.923 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.401 -12.443 -16.693 1.00 0.00 H new ATOM 600 N GLY A 42 8.447 -9.099 -17.872 1.00 0.00 N ATOM 601 CA GLY A 42 7.250 -8.290 -18.008 1.00 0.00 C ATOM 602 C GLY A 42 6.399 -8.708 -19.191 1.00 0.00 C ATOM 603 O GLY A 42 6.919 -9.009 -20.265 1.00 0.00 O ATOM 0 H GLY A 42 9.202 -8.858 -18.514 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.659 -8.364 -17.095 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.533 -7.243 -18.120 1.00 0.00 H new ATOM 607 N LYS A 43 5.085 -8.728 -18.994 1.00 0.00 N ATOM 608 CA LYS A 43 4.158 -9.113 -20.051 1.00 0.00 C ATOM 609 C LYS A 43 4.333 -8.224 -21.278 1.00 0.00 C ATOM 610 O LYS A 43 4.010 -8.624 -22.397 1.00 0.00 O ATOM 611 CB LYS A 43 2.715 -9.029 -19.549 1.00 0.00 C ATOM 612 CG LYS A 43 2.483 -9.761 -18.239 1.00 0.00 C ATOM 613 CD LYS A 43 1.359 -9.127 -17.436 1.00 0.00 C ATOM 614 CE LYS A 43 1.895 -8.350 -16.243 1.00 0.00 C ATOM 615 NZ LYS A 43 2.544 -9.245 -15.245 1.00 0.00 N ATOM 0 H LYS A 43 4.638 -8.482 -18.111 1.00 0.00 H new ATOM 0 HA LYS A 43 4.378 -10.142 -20.335 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.444 -7.981 -19.423 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.050 -9.441 -20.308 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.242 -10.804 -18.442 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.400 -9.754 -17.650 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.784 -8.459 -18.078 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.676 -9.902 -17.089 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.615 -7.607 -16.587 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.079 -7.807 -15.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.499 -8.805 -14.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.048 -10.159 -15.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.538 -9.396 -15.509 1.00 0.00 H new ATOM 629 N TYR A 44 4.847 -7.019 -21.061 1.00 0.00 N ATOM 630 CA TYR A 44 5.064 -6.073 -22.149 1.00 0.00 C ATOM 631 C TYR A 44 6.554 -5.867 -22.403 1.00 0.00 C ATOM 632 O TYR A 44 6.967 -4.842 -22.944 1.00 0.00 O ATOM 633 CB TYR A 44 4.399 -4.733 -21.829 1.00 0.00 C ATOM 634 CG TYR A 44 3.193 -4.856 -20.925 1.00 0.00 C ATOM 635 CD1 TYR A 44 2.068 -5.565 -21.328 1.00 0.00 C ATOM 636 CD2 TYR A 44 3.178 -4.263 -19.669 1.00 0.00 C ATOM 637 CE1 TYR A 44 0.964 -5.680 -20.506 1.00 0.00 C ATOM 638 CE2 TYR A 44 2.079 -4.373 -18.840 1.00 0.00 C ATOM 639 CZ TYR A 44 0.974 -5.083 -19.263 1.00 0.00 C ATOM 640 OH TYR A 44 -0.123 -5.194 -18.440 1.00 0.00 O ATOM 0 H TYR A 44 5.121 -6.674 -20.141 1.00 0.00 H new ATOM 0 HA TYR A 44 4.614 -6.487 -23.051 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.131 -4.077 -21.357 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.097 -4.255 -22.761 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.057 -6.034 -22.301 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.041 -3.706 -19.335 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.098 -6.235 -20.835 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.084 -3.906 -17.866 1.00 0.00 H new ATOM 0 HH TYR A 44 0.048 -4.717 -17.601 1.00 0.00 H new ATOM 650 N GLY A 45 7.357 -6.850 -22.007 1.00 0.00 N ATOM 651 CA GLY A 45 8.792 -6.758 -22.200 1.00 0.00 C ATOM 652 C GLY A 45 9.504 -6.182 -20.992 1.00 0.00 C ATOM 653 O GLY A 45 9.191 -6.531 -19.854 1.00 0.00 O ATOM 0 H GLY A 45 7.039 -7.708 -21.556 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.191 -7.749 -22.414 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.999 -6.136 -23.071 1.00 0.00 H new ATOM 657 N ASN A 46 10.464 -5.297 -21.239 1.00 0.00 N ATOM 658 CA ASN A 46 11.224 -4.673 -20.162 1.00 0.00 C ATOM 659 C ASN A 46 10.506 -3.433 -19.638 1.00 0.00 C ATOM 660 O ASN A 46 10.300 -2.466 -20.371 1.00 0.00 O ATOM 661 CB ASN A 46 12.625 -4.297 -20.649 1.00 0.00 C ATOM 662 CG ASN A 46 13.543 -5.500 -20.752 1.00 0.00 C ATOM 663 OD1 ASN A 46 13.970 -5.877 -21.844 1.00 0.00 O ATOM 664 ND2 ASN A 46 13.850 -6.109 -19.613 1.00 0.00 N ATOM 0 H ASN A 46 10.734 -4.996 -22.175 1.00 0.00 H new ATOM 0 HA ASN A 46 11.311 -5.393 -19.348 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.551 -3.815 -21.624 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.061 -3.568 -19.966 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.463 -6.924 -19.620 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.473 -5.762 -18.731 1.00 0.00 H new ATOM 671 N ALA A 47 10.127 -3.468 -18.364 1.00 0.00 N ATOM 672 CA ALA A 47 9.435 -2.347 -17.741 1.00 0.00 C ATOM 673 C ALA A 47 10.004 -2.051 -16.358 1.00 0.00 C ATOM 674 O ALA A 47 10.444 -2.957 -15.649 1.00 0.00 O ATOM 675 CB ALA A 47 7.943 -2.632 -17.651 1.00 0.00 C ATOM 0 H ALA A 47 10.288 -4.261 -17.743 1.00 0.00 H new ATOM 0 HA ALA A 47 9.588 -1.466 -18.364 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.439 -1.786 -17.184 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.541 -2.786 -18.652 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.779 -3.528 -17.052 1.00 0.00 H new ATOM 681 N CYS A 48 9.993 -0.778 -15.979 1.00 0.00 N ATOM 682 CA CYS A 48 10.509 -0.361 -14.680 1.00 0.00 C ATOM 683 C CYS A 48 9.642 -0.909 -13.550 1.00 0.00 C ATOM 684 O CYS A 48 8.517 -0.456 -13.342 1.00 0.00 O ATOM 685 CB CYS A 48 10.569 1.165 -14.597 1.00 0.00 C ATOM 686 SG CYS A 48 11.479 1.796 -13.151 1.00 0.00 S ATOM 0 H CYS A 48 9.632 -0.016 -16.553 1.00 0.00 H new ATOM 0 HA CYS A 48 11.516 -0.763 -14.571 1.00 0.00 H new ATOM 0 HB2 CYS A 48 11.037 1.549 -15.503 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.552 1.557 -14.572 1.00 0.00 H new ATOM 691 N TRP A 49 10.175 -1.885 -12.824 1.00 0.00 N ATOM 692 CA TRP A 49 9.451 -2.495 -11.714 1.00 0.00 C ATOM 693 C TRP A 49 9.817 -1.827 -10.393 1.00 0.00 C ATOM 694 O TRP A 49 10.948 -1.941 -9.921 1.00 0.00 O ATOM 695 CB TRP A 49 9.752 -3.993 -11.643 1.00 0.00 C ATOM 696 CG TRP A 49 9.024 -4.693 -10.536 1.00 0.00 C ATOM 697 CD1 TRP A 49 9.454 -4.862 -9.251 1.00 0.00 C ATOM 698 CD2 TRP A 49 7.739 -5.320 -10.617 1.00 0.00 C ATOM 699 NE1 TRP A 49 8.514 -5.556 -8.528 1.00 0.00 N ATOM 700 CE2 TRP A 49 7.452 -5.848 -9.343 1.00 0.00 C ATOM 701 CE3 TRP A 49 6.803 -5.485 -11.641 1.00 0.00 C ATOM 702 CZ2 TRP A 49 6.269 -6.529 -9.069 1.00 0.00 C ATOM 703 CZ3 TRP A 49 5.629 -6.161 -11.368 1.00 0.00 C ATOM 704 CH2 TRP A 49 5.370 -6.676 -10.091 1.00 0.00 C ATOM 0 H TRP A 49 11.106 -2.271 -12.984 1.00 0.00 H new ATOM 0 HA TRP A 49 8.384 -2.354 -11.888 1.00 0.00 H new ATOM 0 HB2 TRP A 49 9.485 -4.455 -12.593 1.00 0.00 H new ATOM 0 HB3 TRP A 49 10.824 -4.135 -11.510 1.00 0.00 H new ATOM 0 HD1 TRP A 49 10.395 -4.503 -8.860 1.00 0.00 H new ATOM 0 HE1 TRP A 49 8.594 -5.812 -7.544 1.00 0.00 H new ATOM 0 HE3 TRP A 49 6.994 -5.091 -12.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 6.068 -6.927 -8.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 4.899 -6.295 -12.152 1.00 0.00 H new ATOM 0 HH2 TRP A 49 4.443 -7.199 -9.909 1.00 0.00 H new ATOM 715 N CYS A 50 8.853 -1.130 -9.800 1.00 0.00 N ATOM 716 CA CYS A 50 9.073 -0.444 -8.533 1.00 0.00 C ATOM 717 C CYS A 50 8.625 -1.310 -7.360 1.00 0.00 C ATOM 718 O CYS A 50 7.619 -2.016 -7.445 1.00 0.00 O ATOM 719 CB CYS A 50 8.322 0.889 -8.514 1.00 0.00 C ATOM 720 SG CYS A 50 8.638 1.942 -9.966 1.00 0.00 S ATOM 0 H CYS A 50 7.911 -1.026 -10.178 1.00 0.00 H new ATOM 0 HA CYS A 50 10.141 -0.253 -8.433 1.00 0.00 H new ATOM 0 HB2 CYS A 50 7.252 0.690 -8.449 1.00 0.00 H new ATOM 0 HB3 CYS A 50 8.600 1.437 -7.614 1.00 0.00 H new ATOM 725 N ILE A 51 9.378 -1.251 -6.266 1.00 0.00 N ATOM 726 CA ILE A 51 9.057 -2.029 -5.076 1.00 0.00 C ATOM 727 C ILE A 51 8.501 -1.138 -3.971 1.00 0.00 C ATOM 728 O ILE A 51 9.048 -0.074 -3.684 1.00 0.00 O ATOM 729 CB ILE A 51 10.293 -2.778 -4.543 1.00 0.00 C ATOM 730 CG1 ILE A 51 10.813 -3.761 -5.594 1.00 0.00 C ATOM 731 CG2 ILE A 51 9.955 -3.505 -3.251 1.00 0.00 C ATOM 732 CD1 ILE A 51 10.151 -5.119 -5.531 1.00 0.00 C ATOM 0 H ILE A 51 10.214 -0.673 -6.180 1.00 0.00 H new ATOM 0 HA ILE A 51 8.300 -2.756 -5.369 1.00 0.00 H new ATOM 0 HB ILE A 51 11.078 -2.051 -4.333 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.658 -3.336 -6.586 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.888 -3.884 -5.464 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.838 -4.029 -2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.627 -2.784 -2.503 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.157 -4.224 -3.436 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.569 -5.764 -6.304 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.328 -5.565 -4.552 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.078 -5.009 -5.691 1.00 0.00 H new ATOM 744 N GLN A 52 7.411 -1.582 -3.353 1.00 0.00 N ATOM 745 CA GLN A 52 6.781 -0.825 -2.277 1.00 0.00 C ATOM 746 C GLN A 52 6.232 0.500 -2.794 1.00 0.00 C ATOM 747 O GLN A 52 6.420 1.547 -2.173 1.00 0.00 O ATOM 748 CB GLN A 52 7.783 -0.570 -1.150 1.00 0.00 C ATOM 749 CG GLN A 52 7.801 -1.663 -0.093 1.00 0.00 C ATOM 750 CD GLN A 52 6.814 -1.406 1.029 1.00 0.00 C ATOM 751 OE1 GLN A 52 7.174 -0.875 2.079 1.00 0.00 O ATOM 752 NE2 GLN A 52 5.559 -1.783 0.811 1.00 0.00 N ATOM 0 H GLN A 52 6.946 -2.461 -3.579 1.00 0.00 H new ATOM 0 HA GLN A 52 5.951 -1.415 -1.889 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.781 -0.473 -1.577 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.547 0.381 -0.673 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.572 -2.620 -0.562 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.805 -1.744 0.323 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.304 -2.220 -0.075 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.850 -1.636 1.529 1.00 0.00 H new ATOM 761 N LEU A 53 5.551 0.448 -3.934 1.00 0.00 N ATOM 762 CA LEU A 53 4.974 1.645 -4.535 1.00 0.00 C ATOM 763 C LEU A 53 3.595 1.938 -3.951 1.00 0.00 C ATOM 764 O LEU A 53 2.757 1.049 -3.801 1.00 0.00 O ATOM 765 CB LEU A 53 4.872 1.480 -6.052 1.00 0.00 C ATOM 766 CG LEU A 53 4.755 2.771 -6.862 1.00 0.00 C ATOM 767 CD1 LEU A 53 5.989 3.639 -6.665 1.00 0.00 C ATOM 768 CD2 LEU A 53 4.552 2.459 -8.338 1.00 0.00 C ATOM 0 H LEU A 53 5.385 -0.410 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 53 5.630 2.486 -4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.751 0.936 -6.398 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.005 0.857 -6.272 1.00 0.00 H new ATOM 0 HG LEU A 53 3.886 3.323 -6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.888 4.554 -7.249 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.091 3.892 -5.610 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.874 3.094 -6.995 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.471 3.390 -8.899 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.401 1.885 -8.709 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.638 1.878 -8.465 1.00 0.00 H new ATOM 780 N PRO A 54 3.354 3.213 -3.614 1.00 0.00 N ATOM 781 CA PRO A 54 2.077 3.653 -3.044 1.00 0.00 C ATOM 782 C PRO A 54 0.940 3.603 -4.059 1.00 0.00 C ATOM 783 O PRO A 54 1.149 3.833 -5.250 1.00 0.00 O ATOM 784 CB PRO A 54 2.355 5.098 -2.624 1.00 0.00 C ATOM 785 CG PRO A 54 3.465 5.544 -3.512 1.00 0.00 C ATOM 786 CD PRO A 54 4.308 4.325 -3.765 1.00 0.00 C ATOM 0 HA PRO A 54 1.754 3.011 -2.225 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.471 5.724 -2.750 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.640 5.157 -1.574 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.078 5.951 -4.446 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.051 6.332 -3.039 1.00 0.00 H new ATOM 0 HD2 PRO A 54 4.751 4.342 -4.761 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.129 4.249 -3.052 1.00 0.00 H new ATOM 794 N ASP A 55 -0.262 3.301 -3.580 1.00 0.00 N ATOM 795 CA ASP A 55 -1.432 3.222 -4.447 1.00 0.00 C ATOM 796 C ASP A 55 -1.762 4.588 -5.039 1.00 0.00 C ATOM 797 O ASP A 55 -2.655 4.713 -5.877 1.00 0.00 O ATOM 798 CB ASP A 55 -2.634 2.686 -3.668 1.00 0.00 C ATOM 799 CG ASP A 55 -2.686 1.171 -3.653 1.00 0.00 C ATOM 800 OD1 ASP A 55 -2.377 0.577 -2.599 1.00 0.00 O ATOM 801 OD2 ASP A 55 -3.036 0.580 -4.695 1.00 0.00 O ATOM 0 H ASP A 55 -0.452 3.107 -2.597 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.204 2.538 -5.264 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.593 3.055 -2.643 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.552 3.074 -4.110 1.00 0.00 H new ATOM 806 N ASN A 56 -1.037 5.610 -4.597 1.00 0.00 N ATOM 807 CA ASN A 56 -1.254 6.968 -5.083 1.00 0.00 C ATOM 808 C ASN A 56 -0.599 7.170 -6.446 1.00 0.00 C ATOM 809 O ASN A 56 -1.031 8.009 -7.237 1.00 0.00 O ATOM 810 CB ASN A 56 -0.698 7.985 -4.083 1.00 0.00 C ATOM 811 CG ASN A 56 -1.411 7.929 -2.746 1.00 0.00 C ATOM 812 OD1 ASN A 56 -1.164 7.036 -1.935 1.00 0.00 O ATOM 813 ND2 ASN A 56 -2.302 8.885 -2.510 1.00 0.00 N ATOM 0 H ASN A 56 -0.294 5.524 -3.903 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.328 7.121 -5.189 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.365 7.799 -3.933 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.790 8.988 -4.499 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.814 8.899 -1.628 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.475 9.605 -3.211 1.00 0.00 H new ATOM 820 N VAL A 57 0.446 6.393 -6.716 1.00 0.00 N ATOM 821 CA VAL A 57 1.159 6.484 -7.984 1.00 0.00 C ATOM 822 C VAL A 57 0.541 5.564 -9.030 1.00 0.00 C ATOM 823 O VAL A 57 0.198 4.414 -8.755 1.00 0.00 O ATOM 824 CB VAL A 57 2.648 6.127 -7.817 1.00 0.00 C ATOM 825 CG1 VAL A 57 3.415 6.423 -9.097 1.00 0.00 C ATOM 826 CG2 VAL A 57 3.248 6.881 -6.640 1.00 0.00 C ATOM 0 H VAL A 57 0.817 5.694 -6.073 1.00 0.00 H new ATOM 0 HA VAL A 57 1.076 7.518 -8.320 1.00 0.00 H new ATOM 0 HB VAL A 57 2.727 5.059 -7.613 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.465 6.165 -8.960 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.000 5.834 -9.915 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.330 7.483 -9.335 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.300 6.617 -6.537 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.158 7.954 -6.811 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.716 6.614 -5.727 1.00 0.00 H new ATOM 836 N PRO A 58 0.395 6.079 -10.260 1.00 0.00 N ATOM 837 CA PRO A 58 -0.182 5.320 -11.373 1.00 0.00 C ATOM 838 C PRO A 58 0.735 4.197 -11.846 1.00 0.00 C ATOM 839 O PRO A 58 1.957 4.348 -11.864 1.00 0.00 O ATOM 840 CB PRO A 58 -0.349 6.372 -12.471 1.00 0.00 C ATOM 841 CG PRO A 58 0.670 7.413 -12.157 1.00 0.00 C ATOM 842 CD PRO A 58 0.783 7.443 -10.658 1.00 0.00 C ATOM 0 HA PRO A 58 -1.112 4.827 -11.091 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -0.184 5.942 -13.459 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.356 6.790 -12.469 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.629 7.171 -12.616 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.367 8.385 -12.545 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.796 7.683 -10.336 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.124 8.192 -10.220 1.00 0.00 H new ATOM 850 N ILE A 59 0.139 3.073 -12.227 1.00 0.00 N ATOM 851 CA ILE A 59 0.903 1.926 -12.702 1.00 0.00 C ATOM 852 C ILE A 59 0.568 1.605 -14.154 1.00 0.00 C ATOM 853 O ILE A 59 -0.392 2.136 -14.712 1.00 0.00 O ATOM 854 CB ILE A 59 0.641 0.678 -11.838 1.00 0.00 C ATOM 855 CG1 ILE A 59 -0.848 0.325 -11.852 1.00 0.00 C ATOM 856 CG2 ILE A 59 1.122 0.910 -10.413 1.00 0.00 C ATOM 857 CD1 ILE A 59 -1.117 -1.160 -11.751 1.00 0.00 C ATOM 0 H ILE A 59 -0.871 2.932 -12.216 1.00 0.00 H new ATOM 0 HA ILE A 59 1.956 2.196 -12.626 1.00 0.00 H new ATOM 0 HB ILE A 59 1.198 -0.160 -12.257 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.341 0.833 -11.023 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.295 0.706 -12.770 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.930 0.019 -9.815 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.192 1.119 -10.420 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.589 1.758 -9.983 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.192 -1.337 -11.767 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.653 -1.672 -12.594 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.700 -1.543 -10.819 1.00 0.00 H new ATOM 869 N ARG A 60 1.364 0.730 -14.760 1.00 0.00 N ATOM 870 CA ARG A 60 1.151 0.337 -16.148 1.00 0.00 C ATOM 871 C ARG A 60 -0.032 -0.619 -16.266 1.00 0.00 C ATOM 872 O ARG A 60 -0.044 -1.687 -15.655 1.00 0.00 O ATOM 873 CB ARG A 60 2.411 -0.322 -16.712 1.00 0.00 C ATOM 874 CG ARG A 60 2.155 -1.162 -17.953 1.00 0.00 C ATOM 875 CD ARG A 60 1.476 -0.351 -19.045 1.00 0.00 C ATOM 876 NE ARG A 60 1.690 -0.928 -20.369 1.00 0.00 N ATOM 877 CZ ARG A 60 0.933 -0.648 -21.424 1.00 0.00 C ATOM 878 NH1 ARG A 60 -0.081 0.198 -21.311 1.00 0.00 N ATOM 879 NH2 ARG A 60 1.192 -1.213 -22.596 1.00 0.00 N ATOM 0 H ARG A 60 2.162 0.280 -14.312 1.00 0.00 H new ATOM 0 HA ARG A 60 0.930 1.235 -16.725 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.140 0.452 -16.952 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.857 -0.952 -15.942 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.099 -1.558 -18.327 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.531 -2.017 -17.692 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.406 -0.295 -18.843 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.858 0.670 -19.029 1.00 0.00 H new ATOM 0 HE ARG A 60 2.463 -1.582 -20.491 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.282 0.636 -20.412 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.660 0.411 -22.123 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.973 -1.863 -22.687 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.610 -0.998 -23.406 1.00 0.00 H new ATOM 893 N ILE A 61 -1.026 -0.226 -17.056 1.00 0.00 N ATOM 894 CA ILE A 61 -2.213 -1.048 -17.255 1.00 0.00 C ATOM 895 C ILE A 61 -2.259 -1.615 -18.670 1.00 0.00 C ATOM 896 O ILE A 61 -1.606 -1.115 -19.587 1.00 0.00 O ATOM 897 CB ILE A 61 -3.503 -0.248 -16.993 1.00 0.00 C ATOM 898 CG1 ILE A 61 -3.288 1.230 -17.326 1.00 0.00 C ATOM 899 CG2 ILE A 61 -3.942 -0.411 -15.546 1.00 0.00 C ATOM 900 CD1 ILE A 61 -2.533 1.988 -16.256 1.00 0.00 C ATOM 0 H ILE A 61 -1.033 0.656 -17.568 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.152 -1.868 -16.539 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.291 -0.636 -17.638 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.743 1.306 -18.267 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.257 1.704 -17.480 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.855 0.160 -15.376 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.129 -1.465 -15.339 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.157 -0.045 -14.884 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.418 3.028 -16.560 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.087 1.943 -15.319 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.549 1.539 -16.118 1.00 0.00 H new ATOM 912 N PRO A 62 -3.050 -2.682 -18.855 1.00 0.00 N ATOM 913 CA PRO A 62 -3.203 -3.338 -20.157 1.00 0.00 C ATOM 914 C PRO A 62 -3.968 -2.476 -21.155 1.00 0.00 C ATOM 915 O PRO A 62 -5.064 -2.831 -21.585 1.00 0.00 O ATOM 916 CB PRO A 62 -3.997 -4.604 -19.825 1.00 0.00 C ATOM 917 CG PRO A 62 -4.743 -4.268 -18.580 1.00 0.00 C ATOM 918 CD PRO A 62 -3.858 -3.329 -17.808 1.00 0.00 C ATOM 0 HA PRO A 62 -2.241 -3.533 -20.630 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.677 -4.868 -20.635 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.336 -5.457 -19.672 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.700 -3.800 -18.812 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.959 -5.165 -18.000 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.441 -2.601 -17.243 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.234 -3.863 -17.092 1.00 0.00 H new ATOM 926 N GLY A 63 -3.381 -1.340 -21.521 1.00 0.00 N ATOM 927 CA GLY A 63 -4.022 -0.445 -22.466 1.00 0.00 C ATOM 928 C GLY A 63 -3.031 0.205 -23.413 1.00 0.00 C ATOM 929 O GLY A 63 -1.845 -0.126 -23.405 1.00 0.00 O ATOM 0 H GLY A 63 -2.473 -1.024 -21.180 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.761 -1.000 -23.043 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.560 0.330 -21.920 1.00 0.00 H new ATOM 933 N LYS A 64 -3.518 1.130 -24.232 1.00 0.00 N ATOM 934 CA LYS A 64 -2.669 1.829 -25.189 1.00 0.00 C ATOM 935 C LYS A 64 -1.987 3.028 -24.539 1.00 0.00 C ATOM 936 O LYS A 64 -2.517 3.622 -23.600 1.00 0.00 O ATOM 937 CB LYS A 64 -3.493 2.289 -26.393 1.00 0.00 C ATOM 938 CG LYS A 64 -3.697 1.207 -27.440 1.00 0.00 C ATOM 939 CD LYS A 64 -4.383 -0.015 -26.853 1.00 0.00 C ATOM 940 CE LYS A 64 -4.476 -1.144 -27.868 1.00 0.00 C ATOM 941 NZ LYS A 64 -5.715 -1.053 -28.688 1.00 0.00 N ATOM 0 H LYS A 64 -4.498 1.414 -24.252 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.899 1.135 -25.527 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.467 2.635 -26.046 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.998 3.143 -26.856 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.295 1.602 -28.261 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.733 0.918 -27.859 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.832 -0.357 -25.977 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.383 0.255 -26.515 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.605 -1.116 -28.522 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.454 -2.102 -27.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.740 -1.840 -29.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.547 -1.105 -28.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.724 -0.150 -29.204 1.00 0.00 H new ATOM 955 N CYS A 65 -0.809 3.379 -25.044 1.00 0.00 N ATOM 956 CA CYS A 65 -0.055 4.508 -24.513 1.00 0.00 C ATOM 957 C CYS A 65 -0.333 5.775 -25.318 1.00 0.00 C ATOM 958 O CYS A 65 -0.808 5.711 -26.452 1.00 0.00 O ATOM 959 CB CYS A 65 1.444 4.200 -24.529 1.00 0.00 C ATOM 960 SG CYS A 65 2.507 5.679 -24.499 1.00 0.00 S ATOM 0 H CYS A 65 -0.356 2.897 -25.821 1.00 0.00 H new ATOM 0 HA CYS A 65 -0.375 4.674 -23.484 1.00 0.00 H new ATOM 0 HB2 CYS A 65 1.685 3.575 -23.669 1.00 0.00 H new ATOM 0 HB3 CYS A 65 1.675 3.618 -25.421 1.00 0.00 H new ATOM 965 N HIS A 66 -0.034 6.925 -24.723 1.00 0.00 N ATOM 966 CA HIS A 66 -0.251 8.207 -25.384 1.00 0.00 C ATOM 967 C HIS A 66 -0.024 8.088 -26.888 1.00 0.00 C ATOM 968 O HIS A 66 -0.786 8.636 -27.685 1.00 0.00 O ATOM 969 CB HIS A 66 0.679 9.270 -24.799 1.00 0.00 C ATOM 970 CG HIS A 66 2.133 8.976 -25.009 1.00 0.00 C ATOM 971 ND1 HIS A 66 3.126 9.472 -24.191 1.00 0.00 N ATOM 972 CD2 HIS A 66 2.758 8.230 -25.949 1.00 0.00 C ATOM 973 CE1 HIS A 66 4.300 9.045 -24.621 1.00 0.00 C ATOM 974 NE2 HIS A 66 4.105 8.289 -25.687 1.00 0.00 N ATOM 0 H HIS A 66 0.359 6.996 -23.784 1.00 0.00 H new ATOM 0 HA HIS A 66 -1.285 8.506 -25.213 1.00 0.00 H new ATOM 0 HB2 HIS A 66 0.443 10.234 -25.249 1.00 0.00 H new ATOM 0 HB3 HIS A 66 0.486 9.361 -23.730 1.00 0.00 H new ATOM 0 HD1 HIS A 66 2.978 10.074 -23.381 1.00 0.00 H new ATOM 0 HD2 HIS A 66 2.286 7.689 -26.755 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.257 9.275 -24.176 1.00 0.00 H new