USER MOD reduce.3.24.130724 H: found=0, std=0, add=370, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 368 hydrogens (4 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 NoAdj-H: B 1 PCA H1 : B 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: B 1 PCA H3 : B 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: B 35 SER OG : rot 180:sc= -1.06 USER MOD Set 1.2: B 48 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: B 10 THR OG1 : rot -72:sc= 1.85 USER MOD Set 2.2: B 24 GLN : amide:sc= 0.00814 K(o=1.9,f=1.1) USER MOD Single : B 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ 166:sc= -0.0371 (180deg=-0.224) USER MOD Single : B 8 SER OG : rot -72:sc= 1.39 USER MOD Single : B 12 SER OG : rot -13:sc= 0.708 USER MOD Single : B 17 ASN : amide:sc= -3.05! C(o=-3!,f=-6.1!) USER MOD Single : B 18 ASN : amide:sc= 1.04 K(o=1,f=-5.1!) USER MOD Single : B 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 LYS NZ :NH3+ -165:sc= -0.0415 (180deg=-0.296) USER MOD Single : B 33 HIS : no HD1:sc= -0.572 X(o=-0.57,f=-0.26) USER MOD Single : B 37 ASN : amide:sc= -5.82! C(o=-5.8!,f=-5.1!) USER MOD Single : B 38 TYR OH : rot -132:sc= 0.208 USER MOD Single : B 43 HIS : no HE2:sc= 0.274 K(o=0.27,f=-3.3!) USER MOD Single : B 44 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.14) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA B 1 5.090 -18.243 2.102 1.00 0.00 N HETATM 2 CA PCA B 1 3.963 -17.854 1.235 1.00 0.00 C HETATM 3 CB PCA B 1 2.735 -17.594 2.113 1.00 0.00 C HETATM 4 CG PCA B 1 3.153 -18.044 3.479 1.00 0.00 C HETATM 5 CD PCA B 1 4.617 -18.401 3.322 1.00 0.00 C HETATM 6 OE PCA B 1 5.347 -18.515 4.312 1.00 0.00 O HETATM 7 C PCA B 1 4.317 -16.617 0.417 1.00 0.00 C HETATM 8 O PCA B 1 5.488 -16.247 0.321 1.00 0.00 O HETATM 0 H2 PCA B 1 4.830 -19.087 2.651 1.00 0.00 H new HETATM 0 HA PCA B 1 3.744 -18.659 0.534 1.00 0.00 H new HETATM 0 HB2 PCA B 1 2.459 -16.539 2.109 1.00 0.00 H new HETATM 0 HB3 PCA B 1 1.868 -18.151 1.759 1.00 0.00 H new HETATM 0 HG2 PCA B 1 3.013 -17.255 4.218 1.00 0.00 H new HETATM 0 HG3 PCA B 1 2.568 -18.901 3.812 1.00 0.00 H new ATOM 13 N ARG B 2 3.308 -15.985 -0.172 1.00 0.00 N ATOM 14 CA ARG B 2 3.515 -14.803 -1.007 1.00 0.00 C ATOM 15 C ARG B 2 3.819 -13.569 -0.160 1.00 0.00 C ATOM 16 O ARG B 2 4.095 -13.680 1.040 1.00 0.00 O ATOM 17 CB ARG B 2 2.271 -14.542 -1.866 1.00 0.00 C ATOM 18 CG ARG B 2 1.056 -14.101 -1.061 1.00 0.00 C ATOM 19 CD ARG B 2 -0.109 -13.738 -1.964 1.00 0.00 C ATOM 20 NE ARG B 2 -1.218 -13.145 -1.217 1.00 0.00 N ATOM 21 CZ ARG B 2 -2.412 -12.874 -1.744 1.00 0.00 C ATOM 22 NH1 ARG B 2 -2.677 -13.204 -3.003 1.00 0.00 N ATOM 23 NH2 ARG B 2 -3.342 -12.274 -1.013 1.00 0.00 N ATOM 0 H ARG B 2 2.333 -16.272 -0.087 1.00 0.00 H new ATOM 0 HA ARG B 2 4.373 -14.996 -1.651 1.00 0.00 H new ATOM 0 HB2 ARG B 2 2.504 -13.776 -2.605 1.00 0.00 H new ATOM 0 HB3 ARG B 2 2.022 -15.450 -2.416 1.00 0.00 H new ATOM 0 HG2 ARG B 2 0.757 -14.901 -0.384 1.00 0.00 H new ATOM 0 HG3 ARG B 2 1.320 -13.243 -0.443 1.00 0.00 H new ATOM 0 HD2 ARG B 2 0.229 -13.038 -2.728 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -0.458 -14.631 -2.482 1.00 0.00 H new ATOM 0 HE ARG B 2 -1.068 -12.925 -0.232 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -1.966 -13.666 -3.570 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.592 -12.995 -3.403 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -3.144 -12.019 -0.045 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -4.255 -12.068 -1.418 1.00 0.00 H new ATOM 37 N LEU B 3 3.787 -12.403 -0.798 1.00 0.00 N ATOM 38 CA LEU B 3 3.902 -11.128 -0.097 1.00 0.00 C ATOM 39 C LEU B 3 2.887 -11.055 1.037 1.00 0.00 C ATOM 40 O LEU B 3 1.720 -11.406 0.857 1.00 0.00 O ATOM 41 CB LEU B 3 3.651 -9.967 -1.065 1.00 0.00 C ATOM 42 CG LEU B 3 4.761 -9.682 -2.081 1.00 0.00 C ATOM 43 CD1 LEU B 3 4.191 -8.977 -3.302 1.00 0.00 C ATOM 44 CD2 LEU B 3 5.847 -8.824 -1.451 1.00 0.00 C ATOM 0 H LEU B 3 3.681 -12.315 -1.809 1.00 0.00 H new ATOM 0 HA LEU B 3 4.910 -11.053 0.311 1.00 0.00 H new ATOM 0 HB2 LEU B 3 2.730 -10.170 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU B 3 3.482 -9.063 -0.480 1.00 0.00 H new ATOM 0 HG LEU B 3 5.196 -10.632 -2.391 1.00 0.00 H new ATOM 0 HD11 LEU B 3 4.991 -8.781 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU B 3 3.436 -9.610 -3.768 1.00 0.00 H new ATOM 0 HD13 LEU B 3 3.736 -8.034 -2.998 1.00 0.00 H new ATOM 0 HD21 LEU B 3 6.629 -8.630 -2.185 1.00 0.00 H new ATOM 0 HD22 LEU B 3 5.417 -7.879 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU B 3 6.274 -9.348 -0.596 1.00 0.00 H new ATOM 56 N CYS B 4 3.326 -10.608 2.200 1.00 0.00 N ATOM 57 CA CYS B 4 2.422 -10.436 3.320 1.00 0.00 C ATOM 58 C CYS B 4 1.836 -9.037 3.283 1.00 0.00 C ATOM 59 O CYS B 4 2.548 -8.038 3.433 1.00 0.00 O ATOM 60 CB CYS B 4 3.117 -10.716 4.656 1.00 0.00 C ATOM 61 SG CYS B 4 3.142 -12.487 5.117 1.00 0.00 S ATOM 0 H CYS B 4 4.296 -10.359 2.392 1.00 0.00 H new ATOM 0 HA CYS B 4 1.614 -11.162 3.232 1.00 0.00 H new ATOM 0 HB2 CYS B 4 4.142 -10.348 4.606 1.00 0.00 H new ATOM 0 HB3 CYS B 4 2.614 -10.152 5.442 1.00 0.00 H new ATOM 66 N GLU B 5 0.540 -8.984 3.047 1.00 0.00 N ATOM 67 CA GLU B 5 -0.160 -7.735 2.832 1.00 0.00 C ATOM 68 C GLU B 5 -0.361 -6.992 4.141 1.00 0.00 C ATOM 69 O GLU B 5 -0.422 -7.594 5.212 1.00 0.00 O ATOM 70 CB GLU B 5 -1.523 -7.981 2.180 1.00 0.00 C ATOM 71 CG GLU B 5 -1.533 -9.071 1.123 1.00 0.00 C ATOM 72 CD GLU B 5 -1.829 -10.447 1.686 1.00 0.00 C ATOM 73 OE1 GLU B 5 -1.069 -10.934 2.546 1.00 0.00 O ATOM 74 OE2 GLU B 5 -2.841 -11.049 1.280 1.00 0.00 O ATOM 0 H GLU B 5 -0.058 -9.809 2.999 1.00 0.00 H new ATOM 0 HA GLU B 5 0.454 -7.127 2.167 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -2.241 -8.241 2.958 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -1.867 -7.051 1.727 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -2.279 -8.827 0.366 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -0.565 -9.091 0.622 1.00 0.00 H new ATOM 81 N LYS B 6 -0.464 -5.684 4.038 1.00 0.00 N ATOM 82 CA LYS B 6 -0.680 -4.832 5.186 1.00 0.00 C ATOM 83 C LYS B 6 -1.638 -3.717 4.794 1.00 0.00 C ATOM 84 O LYS B 6 -1.411 -3.026 3.799 1.00 0.00 O ATOM 85 CB LYS B 6 0.656 -4.250 5.646 1.00 0.00 C ATOM 86 CG LYS B 6 0.601 -3.554 6.991 1.00 0.00 C ATOM 87 CD LYS B 6 1.959 -2.986 7.362 1.00 0.00 C ATOM 88 CE LYS B 6 1.946 -2.353 8.744 1.00 0.00 C ATOM 89 NZ LYS B 6 1.628 -3.340 9.810 1.00 0.00 N ATOM 0 H LYS B 6 -0.400 -5.181 3.153 1.00 0.00 H new ATOM 0 HA LYS B 6 -1.111 -5.405 6.007 1.00 0.00 H new ATOM 0 HB2 LYS B 6 1.392 -5.053 5.695 1.00 0.00 H new ATOM 0 HB3 LYS B 6 1.008 -3.541 4.897 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -0.137 -2.752 6.960 1.00 0.00 H new ATOM 0 HG3 LYS B 6 0.275 -4.258 7.757 1.00 0.00 H new ATOM 0 HD2 LYS B 6 2.706 -3.780 7.332 1.00 0.00 H new ATOM 0 HD3 LYS B 6 2.256 -2.241 6.624 1.00 0.00 H new ATOM 0 HE2 LYS B 6 2.918 -1.904 8.945 1.00 0.00 H new ATOM 0 HE3 LYS B 6 1.212 -1.547 8.766 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 1.859 -2.934 10.739 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 0.615 -3.573 9.776 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 2.187 -4.204 9.661 1.00 0.00 H new ATOM 103 N PRO B 7 -2.734 -3.541 5.546 1.00 0.00 N ATOM 104 CA PRO B 7 -3.730 -2.514 5.239 1.00 0.00 C ATOM 105 C PRO B 7 -3.115 -1.120 5.242 1.00 0.00 C ATOM 106 O PRO B 7 -2.501 -0.710 6.228 1.00 0.00 O ATOM 107 CB PRO B 7 -4.769 -2.658 6.358 1.00 0.00 C ATOM 108 CG PRO B 7 -4.084 -3.426 7.438 1.00 0.00 C ATOM 109 CD PRO B 7 -3.086 -4.311 6.749 1.00 0.00 C ATOM 0 HA PRO B 7 -4.160 -2.640 4.245 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -5.097 -1.683 6.717 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -5.657 -3.183 6.005 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -3.590 -2.755 8.141 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -4.799 -4.017 8.010 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -2.215 -4.501 7.376 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -3.514 -5.281 6.496 1.00 0.00 H new ATOM 117 N SER B 8 -3.276 -0.411 4.129 1.00 0.00 N ATOM 118 CA SER B 8 -2.690 0.911 3.941 1.00 0.00 C ATOM 119 C SER B 8 -3.016 1.845 5.099 1.00 0.00 C ATOM 120 O SER B 8 -4.167 2.241 5.289 1.00 0.00 O ATOM 121 CB SER B 8 -3.200 1.499 2.629 1.00 0.00 C ATOM 122 OG SER B 8 -2.765 0.718 1.532 1.00 0.00 O ATOM 0 H SER B 8 -3.818 -0.739 3.330 1.00 0.00 H new ATOM 0 HA SER B 8 -1.606 0.806 3.908 1.00 0.00 H new ATOM 0 HB2 SER B 8 -4.289 1.543 2.643 1.00 0.00 H new ATOM 0 HB3 SER B 8 -2.841 2.522 2.519 1.00 0.00 H new ATOM 0 HG SER B 8 -1.805 0.855 1.393 1.00 0.00 H new ATOM 128 N GLY B 9 -1.993 2.198 5.861 1.00 0.00 N ATOM 129 CA GLY B 9 -2.180 3.052 7.015 1.00 0.00 C ATOM 130 C GLY B 9 -2.046 4.512 6.656 1.00 0.00 C ATOM 131 O GLY B 9 -2.191 5.391 7.507 1.00 0.00 O ATOM 0 H GLY B 9 -1.029 1.906 5.699 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -3.165 2.872 7.445 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -1.447 2.796 7.780 1.00 0.00 H new ATOM 135 N THR B 10 -1.781 4.771 5.385 1.00 0.00 N ATOM 136 CA THR B 10 -1.641 6.130 4.895 1.00 0.00 C ATOM 137 C THR B 10 -2.873 6.501 4.093 1.00 0.00 C ATOM 138 O THR B 10 -3.053 7.641 3.665 1.00 0.00 O ATOM 139 CB THR B 10 -0.385 6.285 4.019 1.00 0.00 C ATOM 140 OG1 THR B 10 -0.334 5.236 3.039 1.00 0.00 O ATOM 141 CG2 THR B 10 0.874 6.261 4.869 1.00 0.00 C ATOM 0 H THR B 10 -1.658 4.052 4.672 1.00 0.00 H new ATOM 0 HA THR B 10 -1.536 6.796 5.752 1.00 0.00 H new ATOM 0 HB THR B 10 -0.440 7.248 3.511 1.00 0.00 H new ATOM 0 HG1 THR B 10 -0.112 4.389 3.478 1.00 0.00 H new ATOM 0 HG21 THR B 10 1.748 6.372 4.228 1.00 0.00 H new ATOM 0 HG22 THR B 10 0.844 7.081 5.587 1.00 0.00 H new ATOM 0 HG23 THR B 10 0.934 5.313 5.403 1.00 0.00 H new ATOM 149 N TRP B 11 -3.718 5.509 3.897 1.00 0.00 N ATOM 150 CA TRP B 11 -4.939 5.673 3.149 1.00 0.00 C ATOM 151 C TRP B 11 -6.106 5.732 4.121 1.00 0.00 C ATOM 152 O TRP B 11 -5.946 5.436 5.308 1.00 0.00 O ATOM 153 CB TRP B 11 -5.091 4.499 2.188 1.00 0.00 C ATOM 154 CG TRP B 11 -5.965 4.761 1.000 1.00 0.00 C ATOM 155 CD1 TRP B 11 -7.319 4.611 0.922 1.00 0.00 C ATOM 156 CD2 TRP B 11 -5.533 5.189 -0.299 1.00 0.00 C ATOM 157 NE1 TRP B 11 -7.761 4.950 -0.332 1.00 0.00 N ATOM 158 CE2 TRP B 11 -6.684 5.304 -1.102 1.00 0.00 C ATOM 159 CE3 TRP B 11 -4.288 5.498 -0.859 1.00 0.00 C ATOM 160 CZ2 TRP B 11 -6.625 5.710 -2.430 1.00 0.00 C ATOM 161 CZ3 TRP B 11 -4.232 5.896 -2.180 1.00 0.00 C ATOM 162 CH2 TRP B 11 -5.393 6.002 -2.953 1.00 0.00 C ATOM 0 H TRP B 11 -3.573 4.565 4.255 1.00 0.00 H new ATOM 0 HA TRP B 11 -4.917 6.597 2.571 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -4.102 4.208 1.835 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -5.496 3.649 2.738 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -7.951 4.274 1.730 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -8.733 4.940 -0.641 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -3.387 5.426 -0.268 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -7.520 5.792 -3.029 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -3.276 6.129 -2.624 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -5.317 6.320 -3.982 1.00 0.00 H new ATOM 173 N SER B 12 -7.261 6.112 3.628 1.00 0.00 N ATOM 174 CA SER B 12 -8.441 6.285 4.471 1.00 0.00 C ATOM 175 C SER B 12 -9.720 6.242 3.642 1.00 0.00 C ATOM 176 O SER B 12 -9.736 6.667 2.484 1.00 0.00 O ATOM 177 CB SER B 12 -8.367 7.615 5.235 1.00 0.00 C ATOM 178 OG SER B 12 -7.246 7.650 6.107 1.00 0.00 O ATOM 0 H SER B 12 -7.419 6.311 2.640 1.00 0.00 H new ATOM 0 HA SER B 12 -8.461 5.461 5.185 1.00 0.00 H new ATOM 0 HB2 SER B 12 -8.304 8.441 4.526 1.00 0.00 H new ATOM 0 HB3 SER B 12 -9.282 7.757 5.810 1.00 0.00 H new ATOM 0 HG SER B 12 -6.876 6.747 6.200 1.00 0.00 H new ATOM 184 N GLY B 13 -10.784 5.722 4.239 1.00 0.00 N ATOM 185 CA GLY B 13 -12.072 5.699 3.579 1.00 0.00 C ATOM 186 C GLY B 13 -12.130 4.690 2.452 1.00 0.00 C ATOM 187 O GLY B 13 -11.435 3.670 2.483 1.00 0.00 O ATOM 0 H GLY B 13 -10.776 5.314 5.174 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -12.847 5.467 4.310 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -12.292 6.691 3.185 1.00 0.00 H new ATOM 191 N VAL B 14 -12.968 4.968 1.469 1.00 0.00 N ATOM 192 CA VAL B 14 -13.104 4.118 0.307 1.00 0.00 C ATOM 193 C VAL B 14 -11.876 4.241 -0.598 1.00 0.00 C ATOM 194 O VAL B 14 -11.151 5.235 -0.548 1.00 0.00 O ATOM 195 CB VAL B 14 -14.381 4.494 -0.473 1.00 0.00 C ATOM 196 CG1 VAL B 14 -14.228 5.855 -1.130 1.00 0.00 C ATOM 197 CG2 VAL B 14 -14.731 3.430 -1.491 1.00 0.00 C ATOM 0 H VAL B 14 -13.572 5.790 1.457 1.00 0.00 H new ATOM 0 HA VAL B 14 -13.182 3.083 0.640 1.00 0.00 H new ATOM 0 HB VAL B 14 -15.206 4.554 0.237 1.00 0.00 H new ATOM 0 HG11 VAL B 14 -15.140 6.101 -1.675 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -14.048 6.610 -0.365 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -13.387 5.832 -1.823 1.00 0.00 H new ATOM 0 HG21 VAL B 14 -15.635 3.721 -2.026 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -13.910 3.320 -2.199 1.00 0.00 H new ATOM 0 HG23 VAL B 14 -14.901 2.481 -0.982 1.00 0.00 H new ATOM 207 N CYS B 15 -11.635 3.219 -1.398 1.00 0.00 N ATOM 208 CA CYS B 15 -10.542 3.236 -2.349 1.00 0.00 C ATOM 209 C CYS B 15 -11.069 3.008 -3.763 1.00 0.00 C ATOM 210 O CYS B 15 -11.978 2.203 -3.973 1.00 0.00 O ATOM 211 CB CYS B 15 -9.503 2.182 -1.973 1.00 0.00 C ATOM 212 SG CYS B 15 -8.331 1.791 -3.306 1.00 0.00 S ATOM 0 H CYS B 15 -12.187 2.361 -1.407 1.00 0.00 H new ATOM 0 HA CYS B 15 -10.061 4.214 -2.322 1.00 0.00 H new ATOM 0 HB2 CYS B 15 -8.945 2.530 -1.103 1.00 0.00 H new ATOM 0 HB3 CYS B 15 -10.018 1.268 -1.676 1.00 0.00 H new ATOM 217 N GLY B 16 -10.505 3.729 -4.725 1.00 0.00 N ATOM 218 CA GLY B 16 -10.994 3.658 -6.089 1.00 0.00 C ATOM 219 C GLY B 16 -9.885 3.632 -7.121 1.00 0.00 C ATOM 220 O GLY B 16 -10.086 4.050 -8.262 1.00 0.00 O ATOM 0 H GLY B 16 -9.717 4.362 -4.585 1.00 0.00 H new ATOM 0 HA2 GLY B 16 -11.607 2.764 -6.202 1.00 0.00 H new ATOM 0 HA3 GLY B 16 -11.640 4.514 -6.281 1.00 0.00 H new ATOM 224 N ASN B 17 -8.719 3.141 -6.734 1.00 0.00 N ATOM 225 CA ASN B 17 -7.557 3.159 -7.617 1.00 0.00 C ATOM 226 C ASN B 17 -6.485 2.210 -7.107 1.00 0.00 C ATOM 227 O ASN B 17 -6.339 2.015 -5.904 1.00 0.00 O ATOM 228 CB ASN B 17 -6.993 4.579 -7.708 1.00 0.00 C ATOM 229 CG ASN B 17 -6.611 5.137 -6.355 1.00 0.00 C ATOM 230 OD1 ASN B 17 -5.474 4.992 -5.914 1.00 0.00 O ATOM 231 ND2 ASN B 17 -7.565 5.767 -5.683 1.00 0.00 N ATOM 0 H ASN B 17 -8.549 2.726 -5.818 1.00 0.00 H new ATOM 0 HA ASN B 17 -7.869 2.832 -8.609 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -6.118 4.578 -8.358 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -7.733 5.232 -8.171 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -7.368 6.155 -4.760 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -8.496 5.864 -6.089 1.00 0.00 H new ATOM 238 N ASN B 18 -5.743 1.615 -8.026 1.00 0.00 N ATOM 239 CA ASN B 18 -4.705 0.657 -7.664 1.00 0.00 C ATOM 240 C ASN B 18 -3.322 1.279 -7.761 1.00 0.00 C ATOM 241 O ASN B 18 -2.428 0.936 -6.995 1.00 0.00 O ATOM 242 CB ASN B 18 -4.776 -0.583 -8.561 1.00 0.00 C ATOM 243 CG ASN B 18 -5.975 -1.459 -8.258 1.00 0.00 C ATOM 244 OD1 ASN B 18 -5.897 -2.375 -7.441 1.00 0.00 O ATOM 245 ND2 ASN B 18 -7.091 -1.189 -8.915 1.00 0.00 N ATOM 0 H ASN B 18 -5.838 1.777 -9.029 1.00 0.00 H new ATOM 0 HA ASN B 18 -4.880 0.361 -6.630 1.00 0.00 H new ATOM 0 HB2 ASN B 18 -4.815 -0.269 -9.604 1.00 0.00 H new ATOM 0 HB3 ASN B 18 -3.864 -1.168 -8.438 1.00 0.00 H new ATOM 0 HD21 ASN B 18 -7.927 -1.750 -8.752 1.00 0.00 H new ATOM 0 HD22 ASN B 18 -7.115 -0.420 -9.585 1.00 0.00 H new ATOM 252 N GLY B 19 -3.156 2.210 -8.689 1.00 0.00 N ATOM 253 CA GLY B 19 -1.850 2.785 -8.933 1.00 0.00 C ATOM 254 C GLY B 19 -1.452 3.822 -7.915 1.00 0.00 C ATOM 255 O GLY B 19 -0.367 3.746 -7.347 1.00 0.00 O ATOM 0 H GLY B 19 -3.903 2.578 -9.278 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -1.106 1.988 -8.939 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -1.840 3.238 -9.925 1.00 0.00 H new ATOM 259 N ALA B 20 -2.318 4.799 -7.698 1.00 0.00 N ATOM 260 CA ALA B 20 -2.078 5.817 -6.682 1.00 0.00 C ATOM 261 C ALA B 20 -1.931 5.152 -5.323 1.00 0.00 C ATOM 262 O ALA B 20 -1.101 5.554 -4.505 1.00 0.00 O ATOM 263 CB ALA B 20 -3.209 6.835 -6.671 1.00 0.00 C ATOM 0 H ALA B 20 -3.193 4.911 -8.210 1.00 0.00 H new ATOM 0 HA ALA B 20 -1.155 6.348 -6.915 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.014 7.587 -5.907 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -3.274 7.317 -7.647 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -4.150 6.331 -6.452 1.00 0.00 H new ATOM 269 N CYS B 21 -2.741 4.123 -5.108 1.00 0.00 N ATOM 270 CA CYS B 21 -2.617 3.268 -3.940 1.00 0.00 C ATOM 271 C CYS B 21 -1.243 2.613 -3.888 1.00 0.00 C ATOM 272 O CYS B 21 -0.559 2.671 -2.864 1.00 0.00 O ATOM 273 CB CYS B 21 -3.691 2.187 -3.957 1.00 0.00 C ATOM 274 SG CYS B 21 -5.018 2.444 -2.750 1.00 0.00 S ATOM 0 H CYS B 21 -3.499 3.860 -5.738 1.00 0.00 H new ATOM 0 HA CYS B 21 -2.744 3.892 -3.055 1.00 0.00 H new ATOM 0 HB2 CYS B 21 -4.127 2.138 -4.955 1.00 0.00 H new ATOM 0 HB3 CYS B 21 -3.223 1.221 -3.766 1.00 0.00 H new ATOM 279 N ARG B 22 -0.828 2.012 -5.006 1.00 0.00 N ATOM 280 CA ARG B 22 0.452 1.325 -5.060 1.00 0.00 C ATOM 281 C ARG B 22 1.565 2.310 -4.758 1.00 0.00 C ATOM 282 O ARG B 22 2.363 2.106 -3.849 1.00 0.00 O ATOM 283 CB ARG B 22 0.667 0.693 -6.440 1.00 0.00 C ATOM 284 CG ARG B 22 1.948 -0.118 -6.555 1.00 0.00 C ATOM 285 CD ARG B 22 2.076 -0.777 -7.919 1.00 0.00 C ATOM 286 NE ARG B 22 2.194 0.197 -9.002 1.00 0.00 N ATOM 287 CZ ARG B 22 2.021 -0.096 -10.291 1.00 0.00 C ATOM 288 NH1 ARG B 22 1.722 -1.335 -10.663 1.00 0.00 N ATOM 289 NH2 ARG B 22 2.157 0.846 -11.213 1.00 0.00 N ATOM 0 H ARG B 22 -1.359 1.990 -5.876 1.00 0.00 H new ATOM 0 HA ARG B 22 0.459 0.529 -4.315 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.181 0.048 -6.669 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.680 1.482 -7.192 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.806 0.531 -6.383 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.966 -0.883 -5.778 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.950 -1.428 -7.924 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.206 -1.409 -8.097 1.00 0.00 H new ATOM 0 HE ARG B 22 2.423 1.160 -8.757 1.00 0.00 H new ATOM 0 HH11 ARG B 22 1.624 -2.068 -9.961 1.00 0.00 H new ATOM 0 HH12 ARG B 22 1.591 -1.553 -11.651 1.00 0.00 H new ATOM 0 HH21 ARG B 22 2.395 1.799 -10.937 1.00 0.00 H new ATOM 0 HH22 ARG B 22 2.024 0.618 -12.198 1.00 0.00 H new ATOM 303 N ASN B 23 1.553 3.401 -5.506 1.00 0.00 N ATOM 304 CA ASN B 23 2.544 4.462 -5.395 1.00 0.00 C ATOM 305 C ASN B 23 2.675 4.968 -3.967 1.00 0.00 C ATOM 306 O ASN B 23 3.783 5.139 -3.456 1.00 0.00 O ATOM 307 CB ASN B 23 2.133 5.607 -6.320 1.00 0.00 C ATOM 308 CG ASN B 23 2.999 6.842 -6.191 1.00 0.00 C ATOM 309 OD1 ASN B 23 4.105 6.904 -6.730 1.00 0.00 O ATOM 310 ND2 ASN B 23 2.480 7.851 -5.514 1.00 0.00 N ATOM 0 H ASN B 23 0.845 3.578 -6.218 1.00 0.00 H new ATOM 0 HA ASN B 23 3.516 4.064 -5.685 1.00 0.00 H new ATOM 0 HB2 ASN B 23 2.167 5.257 -7.352 1.00 0.00 H new ATOM 0 HB3 ASN B 23 1.098 5.877 -6.109 1.00 0.00 H new ATOM 0 HD21 ASN B 23 2.999 8.724 -5.422 1.00 0.00 H new ATOM 0 HD22 ASN B 23 1.560 7.757 -5.083 1.00 0.00 H new ATOM 317 N GLN B 24 1.539 5.207 -3.333 1.00 0.00 N ATOM 318 CA GLN B 24 1.523 5.707 -1.963 1.00 0.00 C ATOM 319 C GLN B 24 2.218 4.723 -1.030 1.00 0.00 C ATOM 320 O GLN B 24 3.086 5.106 -0.241 1.00 0.00 O ATOM 321 CB GLN B 24 0.093 5.958 -1.484 1.00 0.00 C ATOM 322 CG GLN B 24 0.023 6.950 -0.340 1.00 0.00 C ATOM 323 CD GLN B 24 -1.394 7.277 0.067 1.00 0.00 C ATOM 324 OE1 GLN B 24 -2.016 8.192 -0.478 1.00 0.00 O ATOM 325 NE2 GLN B 24 -1.904 6.551 1.043 1.00 0.00 N ATOM 0 H GLN B 24 0.616 5.064 -3.742 1.00 0.00 H new ATOM 0 HA GLN B 24 2.061 6.655 -1.947 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -0.505 6.328 -2.317 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -0.351 5.014 -1.168 1.00 0.00 H new ATOM 0 HG2 GLN B 24 0.558 6.545 0.519 1.00 0.00 H new ATOM 0 HG3 GLN B 24 0.534 7.868 -0.630 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -1.352 5.804 1.465 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -2.850 6.737 1.376 1.00 0.00 H new ATOM 334 N CYS B 25 1.841 3.456 -1.139 1.00 0.00 N ATOM 335 CA CYS B 25 2.479 2.391 -0.373 1.00 0.00 C ATOM 336 C CYS B 25 3.990 2.370 -0.617 1.00 0.00 C ATOM 337 O CYS B 25 4.759 2.194 0.322 1.00 0.00 O ATOM 338 CB CYS B 25 1.877 1.030 -0.737 1.00 0.00 C ATOM 339 SG CYS B 25 0.132 0.814 -0.255 1.00 0.00 S ATOM 0 H CYS B 25 1.092 3.138 -1.754 1.00 0.00 H new ATOM 0 HA CYS B 25 2.299 2.588 0.684 1.00 0.00 H new ATOM 0 HB2 CYS B 25 1.962 0.887 -1.814 1.00 0.00 H new ATOM 0 HB3 CYS B 25 2.470 0.248 -0.263 1.00 0.00 H new ATOM 344 N ILE B 26 4.407 2.569 -1.872 1.00 0.00 N ATOM 345 CA ILE B 26 5.830 2.553 -2.231 1.00 0.00 C ATOM 346 C ILE B 26 6.615 3.559 -1.406 1.00 0.00 C ATOM 347 O ILE B 26 7.527 3.207 -0.656 1.00 0.00 O ATOM 348 CB ILE B 26 6.074 2.922 -3.716 1.00 0.00 C ATOM 349 CG1 ILE B 26 5.139 2.168 -4.658 1.00 0.00 C ATOM 350 CG2 ILE B 26 7.523 2.658 -4.093 1.00 0.00 C ATOM 351 CD1 ILE B 26 5.175 0.674 -4.498 1.00 0.00 C ATOM 0 H ILE B 26 3.779 2.743 -2.657 1.00 0.00 H new ATOM 0 HA ILE B 26 6.161 1.532 -2.040 1.00 0.00 H new ATOM 0 HB ILE B 26 5.859 3.985 -3.825 1.00 0.00 H new ATOM 0 HG12 ILE B 26 4.119 2.515 -4.494 1.00 0.00 H new ATOM 0 HG13 ILE B 26 5.399 2.418 -5.687 1.00 0.00 H new ATOM 0 HG21 ILE B 26 7.681 2.922 -5.139 1.00 0.00 H new ATOM 0 HG22 ILE B 26 8.178 3.261 -3.464 1.00 0.00 H new ATOM 0 HG23 ILE B 26 7.750 1.602 -3.947 1.00 0.00 H new ATOM 0 HD11 ILE B 26 4.482 0.216 -5.204 1.00 0.00 H new ATOM 0 HD12 ILE B 26 6.184 0.311 -4.693 1.00 0.00 H new ATOM 0 HD13 ILE B 26 4.884 0.410 -3.481 1.00 0.00 H new ATOM 363 N ARG B 27 6.248 4.818 -1.564 1.00 0.00 N ATOM 364 CA ARG B 27 7.019 5.917 -1.013 1.00 0.00 C ATOM 365 C ARG B 27 6.752 6.156 0.474 1.00 0.00 C ATOM 366 O ARG B 27 7.685 6.384 1.243 1.00 0.00 O ATOM 367 CB ARG B 27 6.753 7.186 -1.805 1.00 0.00 C ATOM 368 CG ARG B 27 5.287 7.441 -2.018 1.00 0.00 C ATOM 369 CD ARG B 27 5.038 8.725 -2.790 1.00 0.00 C ATOM 370 NE ARG B 27 5.590 9.888 -2.097 1.00 0.00 N ATOM 371 CZ ARG B 27 5.209 11.144 -2.317 1.00 0.00 C ATOM 372 NH1 ARG B 27 4.264 11.413 -3.208 1.00 0.00 N ATOM 373 NH2 ARG B 27 5.779 12.130 -1.638 1.00 0.00 N ATOM 0 H ARG B 27 5.413 5.106 -2.074 1.00 0.00 H new ATOM 0 HA ARG B 27 8.069 5.638 -1.098 1.00 0.00 H new ATOM 0 HB2 ARG B 27 7.193 8.035 -1.281 1.00 0.00 H new ATOM 0 HB3 ARG B 27 7.250 7.116 -2.773 1.00 0.00 H new ATOM 0 HG2 ARG B 27 4.848 6.602 -2.559 1.00 0.00 H new ATOM 0 HG3 ARG B 27 4.785 7.496 -1.052 1.00 0.00 H new ATOM 0 HD2 ARG B 27 5.485 8.646 -3.781 1.00 0.00 H new ATOM 0 HD3 ARG B 27 3.966 8.862 -2.933 1.00 0.00 H new ATOM 0 HE ARG B 27 6.315 9.726 -1.398 1.00 0.00 H new ATOM 0 HH11 ARG B 27 3.824 10.655 -3.730 1.00 0.00 H new ATOM 0 HH12 ARG B 27 3.977 12.378 -3.371 1.00 0.00 H new ATOM 0 HH21 ARG B 27 6.505 11.924 -0.952 1.00 0.00 H new ATOM 0 HH22 ARG B 27 5.492 13.095 -1.802 1.00 0.00 H new ATOM 387 N LEU B 28 5.492 6.102 0.885 1.00 0.00 N ATOM 388 CA LEU B 28 5.138 6.481 2.247 1.00 0.00 C ATOM 389 C LEU B 28 5.279 5.310 3.210 1.00 0.00 C ATOM 390 O LEU B 28 5.816 5.461 4.311 1.00 0.00 O ATOM 391 CB LEU B 28 3.710 7.040 2.307 1.00 0.00 C ATOM 392 CG LEU B 28 3.440 8.256 1.412 1.00 0.00 C ATOM 393 CD1 LEU B 28 2.063 8.832 1.696 1.00 0.00 C ATOM 394 CD2 LEU B 28 4.510 9.319 1.603 1.00 0.00 C ATOM 0 H LEU B 28 4.708 5.804 0.305 1.00 0.00 H new ATOM 0 HA LEU B 28 5.835 7.260 2.555 1.00 0.00 H new ATOM 0 HB2 LEU B 28 3.016 6.246 2.031 1.00 0.00 H new ATOM 0 HB3 LEU B 28 3.488 7.313 3.339 1.00 0.00 H new ATOM 0 HG LEU B 28 3.471 7.925 0.374 1.00 0.00 H new ATOM 0 HD11 LEU B 28 1.889 9.694 1.052 1.00 0.00 H new ATOM 0 HD12 LEU B 28 1.304 8.074 1.501 1.00 0.00 H new ATOM 0 HD13 LEU B 28 2.006 9.142 2.740 1.00 0.00 H new ATOM 0 HD21 LEU B 28 4.296 10.171 0.957 1.00 0.00 H new ATOM 0 HD22 LEU B 28 4.518 9.645 2.643 1.00 0.00 H new ATOM 0 HD23 LEU B 28 5.485 8.905 1.346 1.00 0.00 H new ATOM 406 N GLU B 29 4.814 4.143 2.795 1.00 0.00 N ATOM 407 CA GLU B 29 4.822 2.981 3.669 1.00 0.00 C ATOM 408 C GLU B 29 5.960 2.035 3.322 1.00 0.00 C ATOM 409 O GLU B 29 6.113 0.982 3.933 1.00 0.00 O ATOM 410 CB GLU B 29 3.465 2.275 3.617 1.00 0.00 C ATOM 411 CG GLU B 29 2.340 3.177 4.097 1.00 0.00 C ATOM 412 CD GLU B 29 1.078 2.432 4.485 1.00 0.00 C ATOM 413 OE1 GLU B 29 1.153 1.547 5.368 1.00 0.00 O ATOM 414 OE2 GLU B 29 0.002 2.764 3.952 1.00 0.00 O ATOM 0 H GLU B 29 4.429 3.975 1.865 1.00 0.00 H new ATOM 0 HA GLU B 29 4.992 3.318 4.692 1.00 0.00 H new ATOM 0 HB2 GLU B 29 3.262 1.953 2.596 1.00 0.00 H new ATOM 0 HB3 GLU B 29 3.499 1.377 4.234 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.689 3.752 4.955 1.00 0.00 H new ATOM 0 HG3 GLU B 29 2.100 3.892 3.310 1.00 0.00 H new ATOM 421 N LYS B 30 6.759 2.445 2.345 1.00 0.00 N ATOM 422 CA LYS B 30 7.966 1.715 1.940 1.00 0.00 C ATOM 423 C LYS B 30 7.643 0.308 1.443 1.00 0.00 C ATOM 424 O LYS B 30 8.480 -0.595 1.511 1.00 0.00 O ATOM 425 CB LYS B 30 8.969 1.654 3.094 1.00 0.00 C ATOM 426 CG LYS B 30 9.479 3.018 3.519 1.00 0.00 C ATOM 427 CD LYS B 30 10.388 2.919 4.730 1.00 0.00 C ATOM 428 CE LYS B 30 10.974 4.273 5.098 1.00 0.00 C ATOM 429 NZ LYS B 30 11.852 4.811 4.025 1.00 0.00 N ATOM 0 H LYS B 30 6.593 3.295 1.806 1.00 0.00 H new ATOM 0 HA LYS B 30 8.412 2.262 1.109 1.00 0.00 H new ATOM 0 HB2 LYS B 30 8.500 1.167 3.949 1.00 0.00 H new ATOM 0 HB3 LYS B 30 9.815 1.033 2.798 1.00 0.00 H new ATOM 0 HG2 LYS B 30 10.021 3.479 2.693 1.00 0.00 H new ATOM 0 HG3 LYS B 30 8.635 3.668 3.749 1.00 0.00 H new ATOM 0 HD2 LYS B 30 9.827 2.522 5.576 1.00 0.00 H new ATOM 0 HD3 LYS B 30 11.195 2.216 4.524 1.00 0.00 H new ATOM 0 HE2 LYS B 30 10.165 4.977 5.292 1.00 0.00 H new ATOM 0 HE3 LYS B 30 11.545 4.182 6.022 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 12.424 5.592 4.404 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 12.480 4.057 3.680 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 11.266 5.160 3.240 1.00 0.00 H new ATOM 443 N ALA B 31 6.437 0.135 0.925 1.00 0.00 N ATOM 444 CA ALA B 31 5.998 -1.152 0.413 1.00 0.00 C ATOM 445 C ALA B 31 6.502 -1.357 -1.004 1.00 0.00 C ATOM 446 O ALA B 31 6.705 -0.400 -1.747 1.00 0.00 O ATOM 447 CB ALA B 31 4.484 -1.244 0.448 1.00 0.00 C ATOM 0 H ALA B 31 5.741 0.876 0.848 1.00 0.00 H new ATOM 0 HA ALA B 31 6.411 -1.936 1.047 1.00 0.00 H new ATOM 0 HB1 ALA B 31 4.169 -2.213 0.062 1.00 0.00 H new ATOM 0 HB2 ALA B 31 4.136 -1.133 1.475 1.00 0.00 H new ATOM 0 HB3 ALA B 31 4.057 -0.452 -0.167 1.00 0.00 H new ATOM 453 N ARG B 32 6.709 -2.609 -1.368 1.00 0.00 N ATOM 454 CA ARG B 32 7.237 -2.943 -2.675 1.00 0.00 C ATOM 455 C ARG B 32 6.124 -3.022 -3.709 1.00 0.00 C ATOM 456 O ARG B 32 6.340 -2.751 -4.890 1.00 0.00 O ATOM 457 CB ARG B 32 7.984 -4.266 -2.591 1.00 0.00 C ATOM 458 CG ARG B 32 9.068 -4.273 -1.527 1.00 0.00 C ATOM 459 CD ARG B 32 10.082 -3.159 -1.747 1.00 0.00 C ATOM 460 NE ARG B 32 10.710 -3.242 -3.062 1.00 0.00 N ATOM 461 CZ ARG B 32 11.394 -2.247 -3.628 1.00 0.00 C ATOM 462 NH1 ARG B 32 11.551 -1.089 -2.987 1.00 0.00 N ATOM 463 NH2 ARG B 32 11.920 -2.414 -4.834 1.00 0.00 N ATOM 0 H ARG B 32 6.518 -3.414 -0.772 1.00 0.00 H new ATOM 0 HA ARG B 32 7.925 -2.158 -2.990 1.00 0.00 H new ATOM 0 HB2 ARG B 32 7.273 -5.065 -2.382 1.00 0.00 H new ATOM 0 HB3 ARG B 32 8.433 -4.485 -3.560 1.00 0.00 H new ATOM 0 HG2 ARG B 32 8.613 -4.161 -0.543 1.00 0.00 H new ATOM 0 HG3 ARG B 32 9.578 -5.236 -1.534 1.00 0.00 H new ATOM 0 HD2 ARG B 32 9.588 -2.193 -1.642 1.00 0.00 H new ATOM 0 HD3 ARG B 32 10.850 -3.210 -0.975 1.00 0.00 H new ATOM 0 HE ARG B 32 10.620 -4.116 -3.580 1.00 0.00 H new ATOM 0 HH11 ARG B 32 11.147 -0.961 -2.059 1.00 0.00 H new ATOM 0 HH12 ARG B 32 12.075 -0.331 -3.424 1.00 0.00 H new ATOM 0 HH21 ARG B 32 11.800 -3.300 -5.324 1.00 0.00 H new ATOM 0 HH22 ARG B 32 12.444 -1.656 -5.271 1.00 0.00 H new ATOM 477 N HIS B 33 4.935 -3.393 -3.260 1.00 0.00 N ATOM 478 CA HIS B 33 3.774 -3.453 -4.133 1.00 0.00 C ATOM 479 C HIS B 33 2.534 -2.992 -3.373 1.00 0.00 C ATOM 480 O HIS B 33 2.539 -2.955 -2.148 1.00 0.00 O ATOM 481 CB HIS B 33 3.595 -4.882 -4.685 1.00 0.00 C ATOM 482 CG HIS B 33 2.457 -5.033 -5.655 1.00 0.00 C ATOM 483 ND1 HIS B 33 2.447 -4.456 -6.906 1.00 0.00 N ATOM 484 CD2 HIS B 33 1.276 -5.689 -5.541 1.00 0.00 C ATOM 485 CE1 HIS B 33 1.311 -4.745 -7.513 1.00 0.00 C ATOM 486 NE2 HIS B 33 0.582 -5.492 -6.707 1.00 0.00 N ATOM 0 H HIS B 33 4.749 -3.658 -2.293 1.00 0.00 H new ATOM 0 HA HIS B 33 3.923 -2.785 -4.981 1.00 0.00 H new ATOM 0 HB2 HIS B 33 4.519 -5.187 -5.177 1.00 0.00 H new ATOM 0 HB3 HIS B 33 3.438 -5.564 -3.850 1.00 0.00 H new ATOM 0 HD2 HIS B 33 0.943 -6.262 -4.688 1.00 0.00 H new ATOM 0 HE1 HIS B 33 1.026 -4.423 -8.504 1.00 0.00 H new ATOM 0 HE2 HIS B 33 -0.345 -5.862 -6.916 1.00 0.00 H new ATOM 495 N GLY B 34 1.493 -2.614 -4.097 1.00 0.00 N ATOM 496 CA GLY B 34 0.249 -2.209 -3.472 1.00 0.00 C ATOM 497 C GLY B 34 -0.897 -2.258 -4.455 1.00 0.00 C ATOM 498 O GLY B 34 -0.673 -2.176 -5.665 1.00 0.00 O ATOM 0 H GLY B 34 1.487 -2.580 -5.116 1.00 0.00 H new ATOM 0 HA2 GLY B 34 0.034 -2.862 -2.626 1.00 0.00 H new ATOM 0 HA3 GLY B 34 0.350 -1.198 -3.077 1.00 0.00 H new ATOM 502 N SER B 35 -2.113 -2.410 -3.954 1.00 0.00 N ATOM 503 CA SER B 35 -3.284 -2.481 -4.813 1.00 0.00 C ATOM 504 C SER B 35 -4.552 -2.183 -4.024 1.00 0.00 C ATOM 505 O SER B 35 -4.530 -2.090 -2.795 1.00 0.00 O ATOM 506 CB SER B 35 -3.378 -3.865 -5.462 1.00 0.00 C ATOM 507 OG SER B 35 -3.327 -4.887 -4.487 1.00 0.00 O ATOM 0 H SER B 35 -2.314 -2.487 -2.957 1.00 0.00 H new ATOM 0 HA SER B 35 -3.183 -1.729 -5.595 1.00 0.00 H new ATOM 0 HB2 SER B 35 -4.307 -3.943 -6.027 1.00 0.00 H new ATOM 0 HB3 SER B 35 -2.561 -3.994 -6.172 1.00 0.00 H new ATOM 0 HG SER B 35 -3.390 -5.761 -4.926 1.00 0.00 H new ATOM 513 N CYS B 36 -5.650 -2.035 -4.741 1.00 0.00 N ATOM 514 CA CYS B 36 -6.930 -1.734 -4.135 1.00 0.00 C ATOM 515 C CYS B 36 -7.783 -2.994 -4.101 1.00 0.00 C ATOM 516 O CYS B 36 -8.717 -3.158 -4.892 1.00 0.00 O ATOM 517 CB CYS B 36 -7.623 -0.635 -4.933 1.00 0.00 C ATOM 518 SG CYS B 36 -9.076 0.088 -4.118 1.00 0.00 S ATOM 0 H CYS B 36 -5.678 -2.120 -5.757 1.00 0.00 H new ATOM 0 HA CYS B 36 -6.785 -1.384 -3.113 1.00 0.00 H new ATOM 0 HB2 CYS B 36 -6.903 0.158 -5.135 1.00 0.00 H new ATOM 0 HB3 CYS B 36 -7.928 -1.041 -5.897 1.00 0.00 H new ATOM 523 N ASN B 37 -7.452 -3.879 -3.173 1.00 0.00 N ATOM 524 CA ASN B 37 -8.063 -5.197 -3.109 1.00 0.00 C ATOM 525 C ASN B 37 -9.521 -5.097 -2.675 1.00 0.00 C ATOM 526 O ASN B 37 -9.915 -4.151 -1.988 1.00 0.00 O ATOM 527 CB ASN B 37 -7.263 -6.099 -2.155 1.00 0.00 C ATOM 528 CG ASN B 37 -8.027 -6.491 -0.910 1.00 0.00 C ATOM 529 OD1 ASN B 37 -8.682 -7.530 -0.864 1.00 0.00 O ATOM 530 ND2 ASN B 37 -7.956 -5.644 0.096 1.00 0.00 N ATOM 0 H ASN B 37 -6.757 -3.705 -2.447 1.00 0.00 H new ATOM 0 HA ASN B 37 -8.045 -5.642 -4.104 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -6.964 -7.002 -2.687 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -6.348 -5.584 -1.863 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -8.459 -5.838 0.962 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -7.398 -4.794 0.009 1.00 0.00 H new ATOM 537 N TYR B 38 -10.322 -6.066 -3.083 1.00 0.00 N ATOM 538 CA TYR B 38 -11.737 -6.041 -2.776 1.00 0.00 C ATOM 539 C TYR B 38 -12.064 -6.956 -1.606 1.00 0.00 C ATOM 540 O TYR B 38 -12.421 -8.121 -1.788 1.00 0.00 O ATOM 541 CB TYR B 38 -12.573 -6.434 -3.994 1.00 0.00 C ATOM 542 CG TYR B 38 -14.060 -6.290 -3.761 1.00 0.00 C ATOM 543 CD1 TYR B 38 -14.614 -5.048 -3.494 1.00 0.00 C ATOM 544 CD2 TYR B 38 -14.907 -7.391 -3.794 1.00 0.00 C ATOM 545 CE1 TYR B 38 -15.965 -4.902 -3.269 1.00 0.00 C ATOM 546 CE2 TYR B 38 -16.263 -7.254 -3.569 1.00 0.00 C ATOM 547 CZ TYR B 38 -16.786 -6.006 -3.306 1.00 0.00 C ATOM 548 OH TYR B 38 -18.135 -5.857 -3.075 1.00 0.00 O ATOM 0 H TYR B 38 -10.017 -6.875 -3.625 1.00 0.00 H new ATOM 0 HA TYR B 38 -11.988 -5.018 -2.496 1.00 0.00 H new ATOM 0 HB2 TYR B 38 -12.282 -5.815 -4.843 1.00 0.00 H new ATOM 0 HB3 TYR B 38 -12.351 -7.467 -4.262 1.00 0.00 H new ATOM 0 HD1 TYR B 38 -13.974 -4.178 -3.462 1.00 0.00 H new ATOM 0 HD2 TYR B 38 -14.499 -8.370 -3.999 1.00 0.00 H new ATOM 0 HE1 TYR B 38 -16.378 -3.925 -3.064 1.00 0.00 H new ATOM 0 HE2 TYR B 38 -16.909 -8.119 -3.599 1.00 0.00 H new ATOM 0 HH TYR B 38 -18.432 -6.530 -2.427 1.00 0.00 H new ATOM 558 N VAL B 39 -11.918 -6.428 -0.405 1.00 0.00 N ATOM 559 CA VAL B 39 -12.397 -7.103 0.775 1.00 0.00 C ATOM 560 C VAL B 39 -13.882 -6.819 0.948 1.00 0.00 C ATOM 561 O VAL B 39 -14.273 -5.760 1.447 1.00 0.00 O ATOM 562 CB VAL B 39 -11.615 -6.681 2.035 1.00 0.00 C ATOM 563 CG1 VAL B 39 -10.307 -7.448 2.130 1.00 0.00 C ATOM 564 CG2 VAL B 39 -11.343 -5.183 2.037 1.00 0.00 C ATOM 0 H VAL B 39 -11.469 -5.530 -0.226 1.00 0.00 H new ATOM 0 HA VAL B 39 -12.240 -8.174 0.646 1.00 0.00 H new ATOM 0 HB VAL B 39 -12.229 -6.918 2.904 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -9.768 -7.138 3.025 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -10.515 -8.517 2.184 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -9.699 -7.240 1.250 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -10.790 -4.915 2.937 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -10.755 -4.919 1.158 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -12.289 -4.641 2.017 1.00 0.00 H new ATOM 574 N PHE B 40 -14.696 -7.767 0.497 1.00 0.00 N ATOM 575 CA PHE B 40 -16.149 -7.621 0.460 1.00 0.00 C ATOM 576 C PHE B 40 -16.683 -7.018 1.759 1.00 0.00 C ATOM 577 O PHE B 40 -16.303 -7.440 2.853 1.00 0.00 O ATOM 578 CB PHE B 40 -16.792 -8.987 0.204 1.00 0.00 C ATOM 579 CG PHE B 40 -18.281 -8.948 0.010 1.00 0.00 C ATOM 580 CD1 PHE B 40 -18.824 -8.499 -1.182 1.00 0.00 C ATOM 581 CD2 PHE B 40 -19.136 -9.366 1.016 1.00 0.00 C ATOM 582 CE1 PHE B 40 -20.191 -8.469 -1.368 1.00 0.00 C ATOM 583 CE2 PHE B 40 -20.504 -9.337 0.835 1.00 0.00 C ATOM 584 CZ PHE B 40 -21.031 -8.887 -0.358 1.00 0.00 C ATOM 0 H PHE B 40 -14.365 -8.665 0.144 1.00 0.00 H new ATOM 0 HA PHE B 40 -16.407 -6.938 -0.349 1.00 0.00 H new ATOM 0 HB2 PHE B 40 -16.335 -9.430 -0.681 1.00 0.00 H new ATOM 0 HB3 PHE B 40 -16.565 -9.644 1.043 1.00 0.00 H new ATOM 0 HD1 PHE B 40 -18.170 -8.168 -1.975 1.00 0.00 H new ATOM 0 HD2 PHE B 40 -18.728 -9.718 1.952 1.00 0.00 H new ATOM 0 HE1 PHE B 40 -20.602 -8.119 -2.303 1.00 0.00 H new ATOM 0 HE2 PHE B 40 -21.161 -9.666 1.626 1.00 0.00 H new ATOM 0 HZ PHE B 40 -22.101 -8.862 -0.501 1.00 0.00 H new ATOM 594 N PRO B 41 -17.587 -6.031 1.657 1.00 0.00 N ATOM 595 CA PRO B 41 -18.123 -5.549 0.388 1.00 0.00 C ATOM 596 C PRO B 41 -17.480 -4.248 -0.115 1.00 0.00 C ATOM 597 O PRO B 41 -18.137 -3.459 -0.795 1.00 0.00 O ATOM 598 CB PRO B 41 -19.572 -5.287 0.779 1.00 0.00 C ATOM 599 CG PRO B 41 -19.479 -4.748 2.174 1.00 0.00 C ATOM 600 CD PRO B 41 -18.216 -5.324 2.784 1.00 0.00 C ATOM 0 HA PRO B 41 -17.954 -6.252 -0.428 1.00 0.00 H new ATOM 0 HB2 PRO B 41 -20.044 -4.572 0.105 1.00 0.00 H new ATOM 0 HB3 PRO B 41 -20.167 -6.200 0.743 1.00 0.00 H new ATOM 0 HG2 PRO B 41 -19.442 -3.659 2.166 1.00 0.00 H new ATOM 0 HG3 PRO B 41 -20.355 -5.033 2.757 1.00 0.00 H new ATOM 0 HD2 PRO B 41 -17.568 -4.542 3.180 1.00 0.00 H new ATOM 0 HD3 PRO B 41 -18.440 -6.001 3.609 1.00 0.00 H new ATOM 608 N ALA B 42 -16.214 -4.009 0.205 1.00 0.00 N ATOM 609 CA ALA B 42 -15.587 -2.735 -0.151 1.00 0.00 C ATOM 610 C ALA B 42 -14.166 -2.906 -0.684 1.00 0.00 C ATOM 611 O ALA B 42 -13.468 -3.860 -0.348 1.00 0.00 O ATOM 612 CB ALA B 42 -15.579 -1.811 1.056 1.00 0.00 C ATOM 0 H ALA B 42 -15.609 -4.664 0.700 1.00 0.00 H new ATOM 0 HA ALA B 42 -16.179 -2.298 -0.955 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -15.111 -0.864 0.786 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -16.603 -1.630 1.382 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -15.017 -2.275 1.866 1.00 0.00 H new ATOM 618 N HIS B 43 -13.751 -1.974 -1.535 1.00 0.00 N ATOM 619 CA HIS B 43 -12.372 -1.920 -2.002 1.00 0.00 C ATOM 620 C HIS B 43 -11.513 -1.176 -0.997 1.00 0.00 C ATOM 621 O HIS B 43 -11.804 -0.029 -0.651 1.00 0.00 O ATOM 622 CB HIS B 43 -12.263 -1.221 -3.362 1.00 0.00 C ATOM 623 CG HIS B 43 -12.498 -2.115 -4.536 1.00 0.00 C ATOM 624 ND1 HIS B 43 -11.494 -2.842 -5.142 1.00 0.00 N ATOM 625 CD2 HIS B 43 -13.627 -2.385 -5.230 1.00 0.00 C ATOM 626 CE1 HIS B 43 -11.997 -3.519 -6.154 1.00 0.00 C ATOM 627 NE2 HIS B 43 -13.288 -3.262 -6.231 1.00 0.00 N ATOM 0 H HIS B 43 -14.353 -1.244 -1.916 1.00 0.00 H new ATOM 0 HA HIS B 43 -12.023 -2.947 -2.110 1.00 0.00 H new ATOM 0 HB2 HIS B 43 -12.982 -0.402 -3.395 1.00 0.00 H new ATOM 0 HB3 HIS B 43 -11.271 -0.778 -3.451 1.00 0.00 H new ATOM 0 HD1 HIS B 43 -10.516 -2.853 -4.852 1.00 0.00 H new ATOM 0 HD2 HIS B 43 -14.611 -1.986 -5.034 1.00 0.00 H new ATOM 0 HE1 HIS B 43 -11.444 -4.175 -6.811 1.00 0.00 H new ATOM 636 N LYS B 44 -10.459 -1.820 -0.538 1.00 0.00 N ATOM 637 CA LYS B 44 -9.566 -1.215 0.429 1.00 0.00 C ATOM 638 C LYS B 44 -8.147 -1.242 -0.079 1.00 0.00 C ATOM 639 O LYS B 44 -7.744 -2.157 -0.799 1.00 0.00 O ATOM 640 CB LYS B 44 -9.657 -1.924 1.778 1.00 0.00 C ATOM 641 CG LYS B 44 -10.900 -1.559 2.566 1.00 0.00 C ATOM 642 CD LYS B 44 -10.868 -0.108 3.019 1.00 0.00 C ATOM 643 CE LYS B 44 -12.079 0.242 3.865 1.00 0.00 C ATOM 644 NZ LYS B 44 -12.093 1.679 4.243 1.00 0.00 N ATOM 0 H LYS B 44 -10.199 -2.765 -0.820 1.00 0.00 H new ATOM 0 HA LYS B 44 -9.872 -0.178 0.568 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -9.642 -3.002 1.616 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -8.775 -1.678 2.370 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -11.784 -1.730 1.952 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -10.985 -2.211 3.436 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -9.959 0.075 3.592 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -10.832 0.545 2.147 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -12.988 0.002 3.314 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -12.082 -0.371 4.766 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -13.017 1.920 4.656 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -11.343 1.862 4.940 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -11.929 2.262 3.398 1.00 0.00 H new ATOM 658 N CYS B 45 -7.401 -0.232 0.302 1.00 0.00 N ATOM 659 CA CYS B 45 -6.036 -0.090 -0.141 1.00 0.00 C ATOM 660 C CYS B 45 -5.145 -1.013 0.678 1.00 0.00 C ATOM 661 O CYS B 45 -5.153 -0.969 1.914 1.00 0.00 O ATOM 662 CB CYS B 45 -5.601 1.366 0.003 1.00 0.00 C ATOM 663 SG CYS B 45 -4.171 1.823 -1.017 1.00 0.00 S ATOM 0 H CYS B 45 -7.722 0.510 0.924 1.00 0.00 H new ATOM 0 HA CYS B 45 -5.951 -0.368 -1.191 1.00 0.00 H new ATOM 0 HB2 CYS B 45 -6.440 2.011 -0.258 1.00 0.00 H new ATOM 0 HB3 CYS B 45 -5.363 1.560 1.049 1.00 0.00 H new ATOM 668 N ILE B 46 -4.409 -1.874 -0.005 1.00 0.00 N ATOM 669 CA ILE B 46 -3.582 -2.867 0.657 1.00 0.00 C ATOM 670 C ILE B 46 -2.152 -2.812 0.133 1.00 0.00 C ATOM 671 O ILE B 46 -1.909 -3.001 -1.061 1.00 0.00 O ATOM 672 CB ILE B 46 -4.159 -4.293 0.462 1.00 0.00 C ATOM 673 CG1 ILE B 46 -5.535 -4.410 1.110 1.00 0.00 C ATOM 674 CG2 ILE B 46 -3.219 -5.347 1.027 1.00 0.00 C ATOM 675 CD1 ILE B 46 -5.539 -4.264 2.608 1.00 0.00 C ATOM 0 H ILE B 46 -4.368 -1.904 -1.024 1.00 0.00 H new ATOM 0 HA ILE B 46 -3.578 -2.637 1.722 1.00 0.00 H new ATOM 0 HB ILE B 46 -4.261 -4.467 -0.609 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -6.189 -3.650 0.683 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -5.962 -5.379 0.852 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -3.650 -6.337 0.876 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -2.257 -5.288 0.517 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -3.075 -5.172 2.093 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -6.559 -4.361 2.980 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -4.915 -5.041 3.051 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -5.146 -3.284 2.879 1.00 0.00 H new ATOM 687 N CYS B 47 -1.214 -2.533 1.027 1.00 0.00 N ATOM 688 CA CYS B 47 0.195 -2.511 0.674 1.00 0.00 C ATOM 689 C CYS B 47 0.784 -3.908 0.840 1.00 0.00 C ATOM 690 O CYS B 47 0.376 -4.658 1.723 1.00 0.00 O ATOM 691 CB CYS B 47 0.963 -1.520 1.556 1.00 0.00 C ATOM 692 SG CYS B 47 0.221 0.146 1.664 1.00 0.00 S ATOM 0 H CYS B 47 -1.406 -2.318 2.005 1.00 0.00 H new ATOM 0 HA CYS B 47 0.288 -2.192 -0.364 1.00 0.00 H new ATOM 0 HB2 CYS B 47 1.039 -1.934 2.561 1.00 0.00 H new ATOM 0 HB3 CYS B 47 1.979 -1.426 1.172 1.00 0.00 H new ATOM 697 N TYR B 48 1.725 -4.261 -0.014 1.00 0.00 N ATOM 698 CA TYR B 48 2.360 -5.567 0.052 1.00 0.00 C ATOM 699 C TYR B 48 3.807 -5.447 0.498 1.00 0.00 C ATOM 700 O TYR B 48 4.581 -4.667 -0.066 1.00 0.00 O ATOM 701 CB TYR B 48 2.302 -6.256 -1.308 1.00 0.00 C ATOM 702 CG TYR B 48 0.911 -6.666 -1.727 1.00 0.00 C ATOM 703 CD1 TYR B 48 0.052 -5.754 -2.318 1.00 0.00 C ATOM 704 CD2 TYR B 48 0.461 -7.964 -1.539 1.00 0.00 C ATOM 705 CE1 TYR B 48 -1.216 -6.121 -2.712 1.00 0.00 C ATOM 706 CE2 TYR B 48 -0.808 -8.341 -1.930 1.00 0.00 C ATOM 707 CZ TYR B 48 -1.644 -7.417 -2.519 1.00 0.00 C ATOM 708 OH TYR B 48 -2.910 -7.790 -2.912 1.00 0.00 O ATOM 0 H TYR B 48 2.069 -3.661 -0.764 1.00 0.00 H new ATOM 0 HA TYR B 48 1.817 -6.165 0.784 1.00 0.00 H new ATOM 0 HB2 TYR B 48 2.715 -5.586 -2.062 1.00 0.00 H new ATOM 0 HB3 TYR B 48 2.939 -7.140 -1.284 1.00 0.00 H new ATOM 0 HD1 TYR B 48 0.382 -4.737 -2.473 1.00 0.00 H new ATOM 0 HD2 TYR B 48 1.114 -8.691 -1.079 1.00 0.00 H new ATOM 0 HE1 TYR B 48 -1.872 -5.396 -3.170 1.00 0.00 H new ATOM 0 HE2 TYR B 48 -1.144 -9.356 -1.775 1.00 0.00 H new ATOM 0 HH TYR B 48 -3.051 -8.737 -2.705 1.00 0.00 H new ATOM 718 N PHE B 49 4.161 -6.219 1.510 1.00 0.00 N ATOM 719 CA PHE B 49 5.513 -6.225 2.035 1.00 0.00 C ATOM 720 C PHE B 49 6.111 -7.622 1.915 1.00 0.00 C ATOM 721 O PHE B 49 5.424 -8.620 2.148 1.00 0.00 O ATOM 722 CB PHE B 49 5.520 -5.766 3.495 1.00 0.00 C ATOM 723 CG PHE B 49 5.085 -4.338 3.678 1.00 0.00 C ATOM 724 CD1 PHE B 49 3.741 -4.009 3.782 1.00 0.00 C ATOM 725 CD2 PHE B 49 6.023 -3.324 3.741 1.00 0.00 C ATOM 726 CE1 PHE B 49 3.347 -2.698 3.943 1.00 0.00 C ATOM 727 CE2 PHE B 49 5.633 -2.009 3.905 1.00 0.00 C ATOM 728 CZ PHE B 49 4.291 -1.696 4.005 1.00 0.00 C ATOM 0 H PHE B 49 3.523 -6.855 1.988 1.00 0.00 H new ATOM 0 HA PHE B 49 6.120 -5.531 1.453 1.00 0.00 H new ATOM 0 HB2 PHE B 49 4.863 -6.415 4.074 1.00 0.00 H new ATOM 0 HB3 PHE B 49 6.525 -5.886 3.900 1.00 0.00 H new ATOM 0 HD1 PHE B 49 2.995 -4.789 3.736 1.00 0.00 H new ATOM 0 HD2 PHE B 49 7.073 -3.563 3.661 1.00 0.00 H new ATOM 0 HE1 PHE B 49 2.297 -2.456 4.021 1.00 0.00 H new ATOM 0 HE2 PHE B 49 6.376 -1.227 3.955 1.00 0.00 H new ATOM 0 HZ PHE B 49 3.983 -0.669 4.131 1.00 0.00 H new ATOM 738 N PRO B 50 7.392 -7.706 1.517 1.00 0.00 N ATOM 739 CA PRO B 50 8.104 -8.980 1.370 1.00 0.00 C ATOM 740 C PRO B 50 8.032 -9.818 2.631 1.00 0.00 C ATOM 741 O PRO B 50 8.530 -9.424 3.686 1.00 0.00 O ATOM 742 CB PRO B 50 9.542 -8.560 1.085 1.00 0.00 C ATOM 743 CG PRO B 50 9.415 -7.210 0.476 1.00 0.00 C ATOM 744 CD PRO B 50 8.254 -6.562 1.178 1.00 0.00 C ATOM 0 HA PRO B 50 7.672 -9.602 0.586 1.00 0.00 H new ATOM 0 HB2 PRO B 50 10.136 -8.530 1.998 1.00 0.00 H new ATOM 0 HB3 PRO B 50 10.034 -9.258 0.407 1.00 0.00 H new ATOM 0 HG2 PRO B 50 10.328 -6.631 0.611 1.00 0.00 H new ATOM 0 HG3 PRO B 50 9.237 -7.278 -0.597 1.00 0.00 H new ATOM 0 HD2 PRO B 50 8.572 -6.019 2.068 1.00 0.00 H new ATOM 0 HD3 PRO B 50 7.741 -5.847 0.535 1.00 0.00 H new ATOM 752 N CYS B 51 7.399 -10.966 2.513 1.00 0.00 N ATOM 753 CA CYS B 51 7.164 -11.823 3.657 1.00 0.00 C ATOM 754 C CYS B 51 8.197 -12.940 3.707 1.00 0.00 C ATOM 755 O CYS B 51 8.045 -13.928 2.957 1.00 0.00 O ATOM 756 CB CYS B 51 5.753 -12.399 3.586 1.00 0.00 C ATOM 757 SG CYS B 51 5.108 -12.987 5.180 1.00 0.00 S ATOM 758 OXT CYS B 51 9.166 -12.819 4.484 1.00 0.00 O ATOM 0 H CYS B 51 7.036 -11.329 1.632 1.00 0.00 H new ATOM 0 HA CYS B 51 7.259 -11.233 4.569 1.00 0.00 H new ATOM 0 HB2 CYS B 51 5.080 -11.636 3.194 1.00 0.00 H new ATOM 0 HB3 CYS B 51 5.745 -13.226 2.876 1.00 0.00 H new TER 763 CYS B 51