USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 372 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 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 51 ASN : amide:sc= -2.26 K(o=-2.3,f=-0.54) USER MOD Set 2.1: A 6 THR OG1 : rot -70:sc= -3.18! USER MOD Set 2.2: A 36 MET CE :methyl 177:sc= -5.17! (180deg=-5.13) USER MOD Set 2.3: A 49 TYR OH : rot 165:sc= -2.91! USER MOD Single : A 2 HIS : no HD1:sc= -0.717 X(o=-0.72,f=-0.37) USER MOD Single : A 9 ASN : amide:sc= -0.967 K(o=-0.97,f=-0.1) USER MOD Single : A 15 ASN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -163:sc= -0.0415 (180deg=-0.363) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= -11.9! C(o=-12!,f=-12!) USER MOD Single : A 35 ASN : amide:sc= -3.4! C(o=-3.4!,f=-3.5!) USER MOD Single : A 43 HIS : no HE2:sc= -7.12! C(o=-7.1!,f=-8!) USER MOD Single : A 50 SER OG : rot 49:sc= -0.58! USER MOD ----------------------------------------------------------------- ATOM 13 N HIS A 2 9.230 -2.588 -2.894 1.00 0.00 N ATOM 14 CA HIS A 2 7.959 -3.117 -3.378 1.00 0.00 C ATOM 15 C HIS A 2 7.618 -4.403 -2.641 1.00 0.00 C ATOM 16 O HIS A 2 7.924 -5.503 -3.104 1.00 0.00 O ATOM 17 CB HIS A 2 8.027 -3.375 -4.884 1.00 0.00 C ATOM 18 CG HIS A 2 8.579 -2.223 -5.666 1.00 0.00 C ATOM 19 ND1 HIS A 2 9.929 -1.961 -5.770 1.00 0.00 N ATOM 20 CD2 HIS A 2 7.954 -1.261 -6.385 1.00 0.00 C ATOM 21 CE1 HIS A 2 10.111 -0.887 -6.519 1.00 0.00 C ATOM 22 NE2 HIS A 2 8.929 -0.444 -6.905 1.00 0.00 N ATOM 0 HA HIS A 2 7.178 -2.381 -3.188 1.00 0.00 H new ATOM 0 HB2 HIS A 2 8.644 -4.255 -5.066 1.00 0.00 H new ATOM 0 HB3 HIS A 2 7.027 -3.606 -5.250 1.00 0.00 H new ATOM 0 HD2 HIS A 2 6.888 -1.155 -6.524 1.00 0.00 H new ATOM 0 HE1 HIS A 2 11.064 -0.447 -6.772 1.00 0.00 H new ATOM 0 HE2 HIS A 2 8.766 0.373 -7.494 1.00 0.00 H new ATOM 31 N MET A 3 7.006 -4.251 -1.474 1.00 0.00 N ATOM 32 CA MET A 3 6.643 -5.399 -0.640 1.00 0.00 C ATOM 33 C MET A 3 5.364 -6.090 -1.118 1.00 0.00 C ATOM 34 O MET A 3 4.806 -5.747 -2.160 1.00 0.00 O ATOM 35 CB MET A 3 6.488 -4.962 0.819 1.00 0.00 C ATOM 36 CG MET A 3 7.657 -5.375 1.698 1.00 0.00 C ATOM 37 SD MET A 3 7.575 -4.661 3.349 1.00 0.00 S ATOM 38 CE MET A 3 7.781 -6.125 4.360 1.00 0.00 C ATOM 0 H MET A 3 6.749 -3.346 -1.080 1.00 0.00 H new ATOM 0 HA MET A 3 7.452 -6.124 -0.724 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.379 -3.878 0.857 1.00 0.00 H new ATOM 0 HB3 MET A 3 5.570 -5.389 1.223 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.679 -6.462 1.778 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.589 -5.071 1.222 1.00 0.00 H new ATOM 0 HE1 MET A 3 7.753 -5.847 5.413 1.00 0.00 H new ATOM 0 HE2 MET A 3 6.976 -6.829 4.149 1.00 0.00 H new ATOM 0 HE3 MET A 3 8.740 -6.591 4.134 1.00 0.00 H new ATOM 48 N ASP A 4 4.917 -7.078 -0.334 1.00 0.00 N ATOM 49 CA ASP A 4 3.711 -7.854 -0.640 1.00 0.00 C ATOM 50 C ASP A 4 2.582 -6.962 -1.147 1.00 0.00 C ATOM 51 O ASP A 4 2.072 -6.117 -0.413 1.00 0.00 O ATOM 52 CB ASP A 4 3.252 -8.612 0.607 1.00 0.00 C ATOM 53 CG ASP A 4 2.742 -10.004 0.284 1.00 0.00 C ATOM 54 OD1 ASP A 4 3.484 -10.771 -0.364 1.00 0.00 O ATOM 55 OD2 ASP A 4 1.601 -10.325 0.678 1.00 0.00 O ATOM 0 H ASP A 4 5.381 -7.361 0.529 1.00 0.00 H new ATOM 0 HA ASP A 4 3.960 -8.561 -1.431 1.00 0.00 H new ATOM 0 HB2 ASP A 4 4.082 -8.686 1.310 1.00 0.00 H new ATOM 0 HB3 ASP A 4 2.464 -8.046 1.103 1.00 0.00 H new ATOM 60 N CYS A 5 2.201 -7.148 -2.411 1.00 0.00 N ATOM 61 CA CYS A 5 1.143 -6.343 -3.015 1.00 0.00 C ATOM 62 C CYS A 5 -0.107 -7.163 -3.327 1.00 0.00 C ATOM 63 O CYS A 5 -0.029 -8.366 -3.575 1.00 0.00 O ATOM 64 CB CYS A 5 1.661 -5.681 -4.296 1.00 0.00 C ATOM 65 SG CYS A 5 1.911 -3.883 -4.161 1.00 0.00 S ATOM 0 H CYS A 5 2.608 -7.846 -3.033 1.00 0.00 H new ATOM 0 HA CYS A 5 0.860 -5.582 -2.288 1.00 0.00 H new ATOM 0 HB2 CYS A 5 2.606 -6.147 -4.576 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.956 -5.879 -5.104 1.00 0.00 H new ATOM 70 N THR A 6 -1.266 -6.493 -3.322 1.00 0.00 N ATOM 71 CA THR A 6 -2.533 -7.148 -3.613 1.00 0.00 C ATOM 72 C THR A 6 -2.594 -7.632 -5.075 1.00 0.00 C ATOM 73 O THR A 6 -3.512 -8.364 -5.427 1.00 0.00 O ATOM 74 CB THR A 6 -3.685 -6.176 -3.357 1.00 0.00 C ATOM 75 OG1 THR A 6 -3.367 -5.295 -2.296 1.00 0.00 O ATOM 76 CG2 THR A 6 -4.984 -6.867 -3.005 1.00 0.00 C ATOM 0 H THR A 6 -1.345 -5.497 -3.119 1.00 0.00 H new ATOM 0 HA THR A 6 -2.620 -8.016 -2.959 1.00 0.00 H new ATOM 0 HB THR A 6 -3.822 -5.636 -4.294 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.360 -5.790 -1.450 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.759 -6.120 -2.836 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.282 -7.520 -3.825 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.847 -7.459 -2.100 1.00 0.00 H new ATOM 84 N GLU A 7 -1.639 -7.204 -5.938 1.00 0.00 N ATOM 85 CA GLU A 7 -1.637 -7.597 -7.352 1.00 0.00 C ATOM 86 C GLU A 7 -1.976 -9.077 -7.562 1.00 0.00 C ATOM 87 O GLU A 7 -1.094 -9.895 -7.825 1.00 0.00 O ATOM 88 CB GLU A 7 -0.274 -7.290 -7.974 1.00 0.00 C ATOM 89 CG GLU A 7 0.894 -7.883 -7.202 1.00 0.00 C ATOM 90 CD GLU A 7 1.921 -8.539 -8.105 1.00 0.00 C ATOM 91 OE1 GLU A 7 2.534 -7.823 -8.925 1.00 0.00 O ATOM 92 OE2 GLU A 7 2.114 -9.768 -7.990 1.00 0.00 O ATOM 0 H GLU A 7 -0.869 -6.590 -5.673 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.418 -7.016 -7.842 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.255 -7.672 -8.995 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.147 -6.209 -8.035 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.377 -7.097 -6.621 1.00 0.00 H new ATOM 0 HG3 GLU A 7 0.518 -8.619 -6.492 1.00 0.00 H new ATOM 99 N PHE A 8 -3.261 -9.402 -7.475 1.00 0.00 N ATOM 100 CA PHE A 8 -3.736 -10.765 -7.683 1.00 0.00 C ATOM 101 C PHE A 8 -5.235 -10.752 -7.994 1.00 0.00 C ATOM 102 O PHE A 8 -5.725 -9.810 -8.619 1.00 0.00 O ATOM 103 CB PHE A 8 -3.400 -11.665 -6.481 1.00 0.00 C ATOM 104 CG PHE A 8 -3.667 -11.051 -5.136 1.00 0.00 C ATOM 105 CD1 PHE A 8 -4.911 -10.533 -4.821 1.00 0.00 C ATOM 106 CD2 PHE A 8 -2.665 -11.009 -4.178 1.00 0.00 C ATOM 107 CE1 PHE A 8 -5.150 -9.982 -3.576 1.00 0.00 C ATOM 108 CE2 PHE A 8 -2.900 -10.458 -2.933 1.00 0.00 C ATOM 109 CZ PHE A 8 -4.144 -9.944 -2.632 1.00 0.00 C ATOM 0 H PHE A 8 -3.999 -8.732 -7.259 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.218 -11.192 -8.542 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.976 -12.587 -6.564 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.347 -11.941 -6.536 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -5.703 -10.559 -5.555 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.690 -11.412 -4.408 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.125 -9.581 -3.342 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.111 -10.430 -2.196 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.330 -9.513 -1.660 1.00 0.00 H new ATOM 119 N ASN A 9 -5.964 -11.785 -7.585 1.00 0.00 N ATOM 120 CA ASN A 9 -7.393 -11.847 -7.862 1.00 0.00 C ATOM 121 C ASN A 9 -8.168 -10.793 -7.062 1.00 0.00 C ATOM 122 O ASN A 9 -8.655 -9.822 -7.639 1.00 0.00 O ATOM 123 CB ASN A 9 -7.931 -13.255 -7.585 1.00 0.00 C ATOM 124 CG ASN A 9 -7.550 -14.247 -8.667 1.00 0.00 C ATOM 125 OD1 ASN A 9 -7.188 -15.388 -8.376 1.00 0.00 O ATOM 126 ND2 ASN A 9 -7.626 -13.821 -9.920 1.00 0.00 N ATOM 0 H ASN A 9 -5.594 -12.582 -7.067 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.540 -11.623 -8.919 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.549 -13.604 -6.626 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.017 -13.215 -7.500 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.380 -14.446 -10.687 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.931 -12.868 -10.117 1.00 0.00 H new ATOM 133 N PRO A 10 -8.306 -10.952 -5.730 1.00 0.00 N ATOM 134 CA PRO A 10 -9.038 -9.984 -4.906 1.00 0.00 C ATOM 135 C PRO A 10 -8.252 -8.696 -4.667 1.00 0.00 C ATOM 136 O PRO A 10 -7.826 -8.417 -3.548 1.00 0.00 O ATOM 137 CB PRO A 10 -9.247 -10.734 -3.591 1.00 0.00 C ATOM 138 CG PRO A 10 -8.089 -11.668 -3.507 1.00 0.00 C ATOM 139 CD PRO A 10 -7.779 -12.072 -4.924 1.00 0.00 C ATOM 0 HA PRO A 10 -9.962 -9.660 -5.386 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.268 -10.050 -2.743 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.194 -11.274 -3.588 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.230 -11.184 -3.042 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.333 -12.538 -2.897 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.708 -12.206 -5.077 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.259 -13.015 -5.186 1.00 0.00 H new ATOM 147 N LEU A 11 -8.075 -7.907 -5.726 1.00 0.00 N ATOM 148 CA LEU A 11 -7.346 -6.639 -5.631 1.00 0.00 C ATOM 149 C LEU A 11 -7.826 -5.821 -4.448 1.00 0.00 C ATOM 150 O LEU A 11 -8.801 -6.194 -3.806 1.00 0.00 O ATOM 151 CB LEU A 11 -7.475 -5.837 -6.932 1.00 0.00 C ATOM 152 CG LEU A 11 -8.862 -5.245 -7.218 1.00 0.00 C ATOM 153 CD1 LEU A 11 -9.955 -6.283 -7.008 1.00 0.00 C ATOM 154 CD2 LEU A 11 -9.112 -4.022 -6.349 1.00 0.00 C ATOM 0 H LEU A 11 -8.425 -8.122 -6.660 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.292 -6.870 -5.475 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.751 -5.022 -6.908 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.198 -6.484 -7.764 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.887 -4.937 -8.263 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.927 -5.836 -7.218 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.791 -7.125 -7.680 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.932 -6.632 -5.976 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.100 -3.617 -6.567 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.059 -4.306 -5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.356 -3.266 -6.559 1.00 0.00 H new ATOM 166 N CYS A 12 -7.115 -4.721 -4.150 1.00 0.00 N ATOM 167 CA CYS A 12 -7.438 -3.854 -3.017 1.00 0.00 C ATOM 168 C CYS A 12 -8.916 -3.875 -2.653 1.00 0.00 C ATOM 169 O CYS A 12 -9.614 -2.863 -2.693 1.00 0.00 O ATOM 170 CB CYS A 12 -6.962 -2.429 -3.274 1.00 0.00 C ATOM 171 SG CYS A 12 -8.031 -1.442 -4.380 1.00 0.00 S ATOM 0 H CYS A 12 -6.305 -4.413 -4.688 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.903 -4.255 -2.156 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.879 -1.912 -2.318 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.961 -2.469 -3.703 1.00 0.00 H new ATOM 176 N ARG A 13 -9.362 -5.046 -2.255 1.00 0.00 N ATOM 177 CA ARG A 13 -10.743 -5.240 -1.829 1.00 0.00 C ATOM 178 C ARG A 13 -10.810 -5.043 -0.325 1.00 0.00 C ATOM 179 O ARG A 13 -11.457 -5.802 0.395 1.00 0.00 O ATOM 180 CB ARG A 13 -11.240 -6.638 -2.213 1.00 0.00 C ATOM 181 CG ARG A 13 -12.422 -6.625 -3.171 1.00 0.00 C ATOM 182 CD ARG A 13 -13.596 -5.848 -2.599 1.00 0.00 C ATOM 183 NE ARG A 13 -13.996 -6.344 -1.284 1.00 0.00 N ATOM 184 CZ ARG A 13 -14.750 -7.424 -1.097 1.00 0.00 C ATOM 185 NH1 ARG A 13 -15.181 -8.130 -2.136 1.00 0.00 N ATOM 186 NH2 ARG A 13 -15.074 -7.801 0.131 1.00 0.00 N ATOM 0 H ARG A 13 -8.788 -5.888 -2.215 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.388 -4.516 -2.328 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.420 -7.193 -2.669 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.523 -7.175 -1.308 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -12.118 -6.181 -4.119 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.731 -7.649 -3.383 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -13.330 -4.794 -2.523 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.442 -5.914 -3.283 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.678 -5.832 -0.461 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -14.934 -7.845 -3.084 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -15.759 -8.957 -1.986 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.745 -7.263 0.933 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.652 -8.629 0.274 1.00 0.00 H new ATOM 200 N CYS A 14 -10.090 -4.028 0.136 1.00 0.00 N ATOM 201 CA CYS A 14 -10.002 -3.721 1.548 1.00 0.00 C ATOM 202 C CYS A 14 -10.016 -2.213 1.781 1.00 0.00 C ATOM 203 O CYS A 14 -9.062 -1.514 1.438 1.00 0.00 O ATOM 204 CB CYS A 14 -8.714 -4.332 2.115 1.00 0.00 C ATOM 205 SG CYS A 14 -7.523 -4.912 0.856 1.00 0.00 S ATOM 0 H CYS A 14 -9.554 -3.399 -0.461 1.00 0.00 H new ATOM 0 HA CYS A 14 -10.867 -4.146 2.057 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.223 -3.590 2.745 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.979 -5.171 2.758 1.00 0.00 H new ATOM 210 N ASN A 15 -11.102 -1.715 2.366 1.00 0.00 N ATOM 211 CA ASN A 15 -11.231 -0.288 2.639 1.00 0.00 C ATOM 212 C ASN A 15 -10.943 0.015 4.099 1.00 0.00 C ATOM 213 O ASN A 15 -10.164 0.912 4.399 1.00 0.00 O ATOM 214 CB ASN A 15 -12.633 0.203 2.289 1.00 0.00 C ATOM 215 CG ASN A 15 -12.621 1.277 1.219 1.00 0.00 C ATOM 216 OD1 ASN A 15 -13.348 1.192 0.230 1.00 0.00 O ATOM 217 ND2 ASN A 15 -11.792 2.296 1.413 1.00 0.00 N ATOM 0 H ASN A 15 -11.902 -2.276 2.659 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.502 0.233 2.019 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -13.235 -0.639 1.947 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.112 0.594 3.187 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -11.740 3.049 0.727 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.207 2.326 2.248 1.00 0.00 H new ATOM 224 N LYS A 16 -11.602 -0.739 4.987 1.00 0.00 N ATOM 225 CA LYS A 16 -11.476 -0.594 6.447 1.00 0.00 C ATOM 226 C LYS A 16 -10.196 0.125 6.861 1.00 0.00 C ATOM 227 O LYS A 16 -9.381 -0.407 7.615 1.00 0.00 O ATOM 228 CB LYS A 16 -11.536 -1.970 7.116 1.00 0.00 C ATOM 229 CG LYS A 16 -10.331 -2.850 6.818 1.00 0.00 C ATOM 230 CD LYS A 16 -10.677 -3.966 5.842 1.00 0.00 C ATOM 231 CE LYS A 16 -11.785 -4.859 6.379 1.00 0.00 C ATOM 232 NZ LYS A 16 -11.588 -5.192 7.818 1.00 0.00 N ATOM 0 H LYS A 16 -12.248 -1.478 4.710 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.312 0.021 6.778 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.619 -1.836 8.195 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.440 -2.484 6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.528 -2.240 6.404 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.957 -3.281 7.746 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.987 -3.534 4.890 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.789 -4.566 5.646 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.746 -4.361 6.251 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.823 -5.779 5.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.178 -6.011 8.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.588 -5.421 7.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.860 -4.377 8.403 1.00 0.00 H new ATOM 246 N MET A 17 -10.031 1.334 6.354 1.00 0.00 N ATOM 247 CA MET A 17 -8.849 2.133 6.656 1.00 0.00 C ATOM 248 C MET A 17 -8.792 2.505 8.129 1.00 0.00 C ATOM 249 O MET A 17 -9.114 3.628 8.517 1.00 0.00 O ATOM 250 CB MET A 17 -8.797 3.395 5.804 1.00 0.00 C ATOM 251 CG MET A 17 -10.156 3.938 5.372 1.00 0.00 C ATOM 252 SD MET A 17 -11.327 4.079 6.737 1.00 0.00 S ATOM 253 CE MET A 17 -12.086 5.659 6.370 1.00 0.00 C ATOM 0 H MET A 17 -10.699 1.787 5.731 1.00 0.00 H new ATOM 0 HA MET A 17 -7.982 1.517 6.418 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.273 4.171 6.362 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.205 3.189 4.912 1.00 0.00 H new ATOM 0 HG2 MET A 17 -10.020 4.918 4.915 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.575 3.284 4.607 1.00 0.00 H new ATOM 0 HE1 MET A 17 -12.836 5.887 7.128 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.323 6.437 6.368 1.00 0.00 H new ATOM 0 HE3 MET A 17 -12.562 5.615 5.390 1.00 0.00 H new ATOM 263 N LEU A 18 -8.371 1.553 8.935 1.00 0.00 N ATOM 264 CA LEU A 18 -8.254 1.755 10.371 1.00 0.00 C ATOM 265 C LEU A 18 -7.539 0.585 11.036 1.00 0.00 C ATOM 266 O LEU A 18 -8.092 -0.077 11.914 1.00 0.00 O ATOM 267 CB LEU A 18 -9.639 1.949 10.987 1.00 0.00 C ATOM 268 CG LEU A 18 -10.529 0.702 10.987 1.00 0.00 C ATOM 269 CD1 LEU A 18 -10.766 0.213 12.408 1.00 0.00 C ATOM 270 CD2 LEU A 18 -11.853 0.990 10.295 1.00 0.00 C ATOM 0 H LEU A 18 -8.101 0.621 8.620 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.659 2.652 10.541 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.518 2.290 12.015 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.153 2.743 10.446 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.016 -0.085 10.434 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.400 -0.673 12.387 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.811 -0.035 12.871 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.257 0.997 12.985 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.472 0.093 10.305 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.371 1.793 10.820 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.667 1.291 9.264 1.00 0.00 H new ATOM 282 N GLY A 19 -6.307 0.334 10.614 1.00 0.00 N ATOM 283 CA GLY A 19 -5.547 -0.761 11.187 1.00 0.00 C ATOM 284 C GLY A 19 -4.083 -0.750 10.788 1.00 0.00 C ATOM 285 O GLY A 19 -3.210 -0.492 11.617 1.00 0.00 O ATOM 0 H GLY A 19 -5.822 0.865 9.890 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.620 -0.715 12.274 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.994 -1.706 10.877 1.00 0.00 H new ATOM 289 N ASP A 20 -3.812 -1.047 9.521 1.00 0.00 N ATOM 290 CA ASP A 20 -2.445 -1.087 9.018 1.00 0.00 C ATOM 291 C ASP A 20 -1.706 0.216 9.295 1.00 0.00 C ATOM 292 O ASP A 20 -2.263 1.159 9.854 1.00 0.00 O ATOM 293 CB ASP A 20 -2.435 -1.377 7.517 1.00 0.00 C ATOM 294 CG ASP A 20 -3.454 -2.426 7.112 1.00 0.00 C ATOM 295 OD1 ASP A 20 -4.605 -2.048 6.803 1.00 0.00 O ATOM 296 OD2 ASP A 20 -3.102 -3.625 7.104 1.00 0.00 O ATOM 0 H ASP A 20 -4.523 -1.264 8.823 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.928 -1.889 9.544 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.635 -0.454 6.972 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.440 -1.712 7.223 1.00 0.00 H new ATOM 301 N LEU A 21 -0.440 0.247 8.899 1.00 0.00 N ATOM 302 CA LEU A 21 0.408 1.413 9.090 1.00 0.00 C ATOM 303 C LEU A 21 1.712 1.229 8.326 1.00 0.00 C ATOM 304 O LEU A 21 2.785 1.100 8.916 1.00 0.00 O ATOM 305 CB LEU A 21 0.689 1.618 10.578 1.00 0.00 C ATOM 306 CG LEU A 21 1.571 2.822 10.923 1.00 0.00 C ATOM 307 CD1 LEU A 21 1.232 4.013 10.037 1.00 0.00 C ATOM 308 CD2 LEU A 21 1.418 3.189 12.392 1.00 0.00 C ATOM 0 H LEU A 21 0.026 -0.534 8.438 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.104 2.296 8.708 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.263 1.726 11.098 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.165 0.718 10.967 1.00 0.00 H new ATOM 0 HG LEU A 21 2.610 2.548 10.740 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.871 4.856 10.300 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.394 3.747 8.992 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.188 4.290 10.183 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.051 4.046 12.621 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.378 3.441 12.598 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.715 2.343 13.011 1.00 0.00 H new ATOM 320 N ILE A 22 1.601 1.197 7.004 1.00 0.00 N ATOM 321 CA ILE A 22 2.754 1.002 6.136 1.00 0.00 C ATOM 322 C ILE A 22 3.548 2.285 5.950 1.00 0.00 C ATOM 323 O ILE A 22 3.098 3.374 6.301 1.00 0.00 O ATOM 324 CB ILE A 22 2.307 0.487 4.748 1.00 0.00 C ATOM 325 CG1 ILE A 22 3.165 -0.689 4.300 1.00 0.00 C ATOM 326 CG2 ILE A 22 2.333 1.591 3.705 1.00 0.00 C ATOM 327 CD1 ILE A 22 2.515 -1.491 3.201 1.00 0.00 C ATOM 0 H ILE A 22 0.717 1.305 6.507 1.00 0.00 H new ATOM 0 HA ILE A 22 3.393 0.264 6.621 1.00 0.00 H new ATOM 0 HB ILE A 22 1.276 0.146 4.847 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.130 -0.320 3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.360 -1.339 5.153 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.013 1.190 2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.659 2.393 4.007 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.346 1.983 3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.168 -2.317 2.919 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.562 -1.886 3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.345 -0.851 2.335 1.00 0.00 H new ATOM 339 N CYS A 23 4.725 2.135 5.360 1.00 0.00 N ATOM 340 CA CYS A 23 5.593 3.275 5.075 1.00 0.00 C ATOM 341 C CYS A 23 5.907 3.319 3.585 1.00 0.00 C ATOM 342 O CYS A 23 6.894 2.738 3.136 1.00 0.00 O ATOM 343 CB CYS A 23 6.889 3.185 5.879 1.00 0.00 C ATOM 344 SG CYS A 23 6.640 3.115 7.678 1.00 0.00 S ATOM 0 H CYS A 23 5.104 1.234 5.068 1.00 0.00 H new ATOM 0 HA CYS A 23 5.074 4.189 5.365 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.439 2.298 5.564 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.512 4.047 5.642 1.00 0.00 H new ATOM 349 N ALA A 24 5.047 3.982 2.815 1.00 0.00 N ATOM 350 CA ALA A 24 5.231 4.055 1.371 1.00 0.00 C ATOM 351 C ALA A 24 5.830 5.372 0.905 1.00 0.00 C ATOM 352 O ALA A 24 5.505 6.445 1.412 1.00 0.00 O ATOM 353 CB ALA A 24 3.920 3.796 0.652 1.00 0.00 C ATOM 0 H ALA A 24 4.223 4.472 3.165 1.00 0.00 H new ATOM 0 HA ALA A 24 5.950 3.276 1.117 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.078 3.855 -0.425 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.553 2.803 0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.186 4.544 0.953 1.00 0.00 H new ATOM 359 N VAL A 25 6.706 5.258 -0.085 1.00 0.00 N ATOM 360 CA VAL A 25 7.378 6.396 -0.678 1.00 0.00 C ATOM 361 C VAL A 25 7.397 6.267 -2.195 1.00 0.00 C ATOM 362 O VAL A 25 7.421 5.157 -2.742 1.00 0.00 O ATOM 363 CB VAL A 25 8.819 6.516 -0.155 1.00 0.00 C ATOM 364 CG1 VAL A 25 9.703 5.415 -0.725 1.00 0.00 C ATOM 365 CG2 VAL A 25 9.392 7.890 -0.467 1.00 0.00 C ATOM 0 H VAL A 25 6.969 4.364 -0.499 1.00 0.00 H new ATOM 0 HA VAL A 25 6.827 7.294 -0.398 1.00 0.00 H new ATOM 0 HB VAL A 25 8.795 6.396 0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.716 5.525 -0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.307 4.442 -0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.720 5.488 -1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.412 7.953 -0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.395 8.047 -1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.780 8.656 0.009 1.00 0.00 H new ATOM 375 N ILE A 26 7.380 7.408 -2.866 1.00 0.00 N ATOM 376 CA ILE A 26 7.399 7.432 -4.325 1.00 0.00 C ATOM 377 C ILE A 26 8.188 8.625 -4.853 1.00 0.00 C ATOM 378 O ILE A 26 7.629 9.689 -5.117 1.00 0.00 O ATOM 379 CB ILE A 26 5.981 7.457 -4.941 1.00 0.00 C ATOM 380 CG1 ILE A 26 4.950 7.999 -3.939 1.00 0.00 C ATOM 381 CG2 ILE A 26 5.591 6.069 -5.434 1.00 0.00 C ATOM 382 CD1 ILE A 26 4.571 7.028 -2.839 1.00 0.00 C ATOM 0 H ILE A 26 7.353 8.329 -2.428 1.00 0.00 H new ATOM 0 HA ILE A 26 7.888 6.506 -4.627 1.00 0.00 H new ATOM 0 HB ILE A 26 5.993 8.133 -5.796 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.347 8.907 -3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.049 8.283 -4.482 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.590 6.104 -5.865 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.301 5.739 -6.192 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.602 5.370 -4.598 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.839 7.494 -2.179 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.141 6.129 -3.280 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.459 6.762 -2.266 1.00 0.00 H new ATOM 394 N GLY A 27 9.492 8.428 -5.004 1.00 0.00 N ATOM 395 CA GLY A 27 10.369 9.471 -5.506 1.00 0.00 C ATOM 396 C GLY A 27 10.553 10.594 -4.515 1.00 0.00 C ATOM 397 O GLY A 27 11.673 10.898 -4.102 1.00 0.00 O ATOM 0 H GLY A 27 9.964 7.551 -4.784 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.341 9.040 -5.747 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.959 9.872 -6.433 1.00 0.00 H new ATOM 401 N ASP A 28 9.447 11.206 -4.133 1.00 0.00 N ATOM 402 CA ASP A 28 9.465 12.303 -3.180 1.00 0.00 C ATOM 403 C ASP A 28 8.133 12.396 -2.449 1.00 0.00 C ATOM 404 O ASP A 28 7.763 13.459 -1.951 1.00 0.00 O ATOM 405 CB ASP A 28 9.764 13.623 -3.892 1.00 0.00 C ATOM 406 CG ASP A 28 9.958 14.772 -2.922 1.00 0.00 C ATOM 407 OD1 ASP A 28 10.793 14.639 -2.004 1.00 0.00 O ATOM 408 OD2 ASP A 28 9.275 15.806 -3.082 1.00 0.00 O ATOM 0 H ASP A 28 8.517 10.960 -4.471 1.00 0.00 H new ATOM 0 HA ASP A 28 10.252 12.110 -2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.661 13.509 -4.500 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.946 13.859 -4.572 1.00 0.00 H new ATOM 413 N ALA A 29 7.413 11.279 -2.385 1.00 0.00 N ATOM 414 CA ALA A 29 6.125 11.254 -1.707 1.00 0.00 C ATOM 415 C ALA A 29 6.079 10.131 -0.683 1.00 0.00 C ATOM 416 O ALA A 29 5.561 9.049 -0.954 1.00 0.00 O ATOM 417 CB ALA A 29 4.994 11.115 -2.715 1.00 0.00 C ATOM 0 H ALA A 29 7.698 10.388 -2.791 1.00 0.00 H new ATOM 0 HA ALA A 29 5.996 12.199 -1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.039 11.098 -2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.015 11.960 -3.404 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.117 10.188 -3.274 1.00 0.00 H new ATOM 423 N LYS A 30 6.634 10.396 0.493 1.00 0.00 N ATOM 424 CA LYS A 30 6.666 9.407 1.560 1.00 0.00 C ATOM 425 C LYS A 30 5.523 9.639 2.548 1.00 0.00 C ATOM 426 O LYS A 30 5.460 10.678 3.208 1.00 0.00 O ATOM 427 CB LYS A 30 8.020 9.459 2.283 1.00 0.00 C ATOM 428 CG LYS A 30 8.009 8.842 3.674 1.00 0.00 C ATOM 429 CD LYS A 30 7.922 9.910 4.755 1.00 0.00 C ATOM 430 CE LYS A 30 9.241 10.068 5.497 1.00 0.00 C ATOM 431 NZ LYS A 30 9.930 11.339 5.141 1.00 0.00 N ATOM 0 H LYS A 30 7.068 11.288 0.731 1.00 0.00 H new ATOM 0 HA LYS A 30 6.538 8.418 1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.764 8.944 1.675 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.337 10.499 2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.163 8.161 3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.912 8.249 3.818 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.642 10.862 4.304 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.135 9.648 5.463 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.058 10.043 6.571 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.892 9.225 5.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.824 11.408 5.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.127 11.353 4.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.320 12.145 5.386 1.00 0.00 H new ATOM 445 N GLU A 31 4.625 8.665 2.647 1.00 0.00 N ATOM 446 CA GLU A 31 3.488 8.759 3.555 1.00 0.00 C ATOM 447 C GLU A 31 2.991 7.370 3.942 1.00 0.00 C ATOM 448 O GLU A 31 3.186 6.404 3.204 1.00 0.00 O ATOM 449 CB GLU A 31 2.354 9.558 2.908 1.00 0.00 C ATOM 450 CG GLU A 31 1.270 9.979 3.887 1.00 0.00 C ATOM 451 CD GLU A 31 -0.009 9.182 3.722 1.00 0.00 C ATOM 452 OE1 GLU A 31 -0.294 8.745 2.587 1.00 0.00 O ATOM 453 OE2 GLU A 31 -0.726 8.994 4.727 1.00 0.00 O ATOM 0 H GLU A 31 4.663 7.800 2.108 1.00 0.00 H new ATOM 0 HA GLU A 31 3.815 9.276 4.457 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.771 10.448 2.436 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.904 8.959 2.117 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.639 9.859 4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.053 11.038 3.749 1.00 0.00 H new ATOM 460 N GLU A 32 2.352 7.274 5.104 1.00 0.00 N ATOM 461 CA GLU A 32 1.834 5.996 5.581 1.00 0.00 C ATOM 462 C GLU A 32 0.518 5.655 4.896 1.00 0.00 C ATOM 463 O GLU A 32 -0.211 6.543 4.453 1.00 0.00 O ATOM 464 CB GLU A 32 1.633 6.023 7.099 1.00 0.00 C ATOM 465 CG GLU A 32 2.681 6.830 7.850 1.00 0.00 C ATOM 466 CD GLU A 32 2.083 7.999 8.610 1.00 0.00 C ATOM 467 OE1 GLU A 32 0.958 7.856 9.133 1.00 0.00 O ATOM 468 OE2 GLU A 32 2.742 9.058 8.683 1.00 0.00 O ATOM 0 H GLU A 32 2.181 8.061 5.730 1.00 0.00 H new ATOM 0 HA GLU A 32 2.568 5.229 5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.648 6.435 7.317 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.641 5.000 7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.205 6.177 8.548 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.423 7.202 7.143 1.00 0.00 H new ATOM 475 N HIS A 33 0.217 4.364 4.812 1.00 0.00 N ATOM 476 CA HIS A 33 -1.018 3.910 4.180 1.00 0.00 C ATOM 477 C HIS A 33 -1.649 2.761 4.955 1.00 0.00 C ATOM 478 O HIS A 33 -0.996 1.756 5.236 1.00 0.00 O ATOM 479 CB HIS A 33 -0.750 3.461 2.744 1.00 0.00 C ATOM 480 CG HIS A 33 0.011 4.457 1.932 1.00 0.00 C ATOM 481 ND1 HIS A 33 -0.581 5.264 0.985 1.00 0.00 N ATOM 482 CD2 HIS A 33 1.326 4.771 1.923 1.00 0.00 C ATOM 483 CE1 HIS A 33 0.337 6.030 0.426 1.00 0.00 C ATOM 484 NE2 HIS A 33 1.504 5.752 0.979 1.00 0.00 N ATOM 0 H HIS A 33 0.808 3.615 5.172 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.711 4.751 4.177 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.195 2.523 2.764 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.702 3.258 2.253 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -1.574 5.269 0.752 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.094 4.332 2.543 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.164 6.760 -0.351 1.00 0.00 H new ATOM 493 N ARG A 34 -2.930 2.905 5.274 1.00 0.00 N ATOM 494 CA ARG A 34 -3.654 1.865 5.991 1.00 0.00 C ATOM 495 C ARG A 34 -4.072 0.774 5.016 1.00 0.00 C ATOM 496 O ARG A 34 -3.720 -0.395 5.179 1.00 0.00 O ATOM 497 CB ARG A 34 -4.887 2.441 6.686 1.00 0.00 C ATOM 498 CG ARG A 34 -4.667 3.821 7.286 1.00 0.00 C ATOM 499 CD ARG A 34 -3.512 3.826 8.275 1.00 0.00 C ATOM 500 NE ARG A 34 -3.859 3.157 9.528 1.00 0.00 N ATOM 501 CZ ARG A 34 -3.357 3.491 10.716 1.00 0.00 C ATOM 502 NH1 ARG A 34 -2.474 4.477 10.823 1.00 0.00 N ATOM 503 NH2 ARG A 34 -3.739 2.832 11.802 1.00 0.00 N ATOM 0 H ARG A 34 -3.486 3.729 5.048 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.998 1.445 6.753 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.705 2.494 5.968 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.199 1.758 7.476 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.467 4.537 6.489 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.577 4.149 7.788 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.650 3.332 7.827 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.218 4.855 8.483 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.527 2.387 9.490 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.175 4.986 9.991 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.095 4.725 11.737 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.415 2.072 11.726 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.357 3.085 12.713 1.00 0.00 H new ATOM 517 N ASN A 35 -4.811 1.169 3.987 1.00 0.00 N ATOM 518 CA ASN A 35 -5.258 0.233 2.969 1.00 0.00 C ATOM 519 C ASN A 35 -4.129 -0.034 1.987 1.00 0.00 C ATOM 520 O ASN A 35 -4.222 0.295 0.804 1.00 0.00 O ATOM 521 CB ASN A 35 -6.485 0.779 2.239 1.00 0.00 C ATOM 522 CG ASN A 35 -7.652 1.024 3.176 1.00 0.00 C ATOM 523 OD1 ASN A 35 -8.387 2.000 3.027 1.00 0.00 O ATOM 524 ND2 ASN A 35 -7.830 0.138 4.150 1.00 0.00 N ATOM 0 H ASN A 35 -5.112 2.132 3.837 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.539 -0.704 3.449 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.222 1.711 1.739 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.787 0.075 1.463 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.599 0.253 4.810 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.197 -0.657 4.238 1.00 0.00 H new ATOM 531 N MET A 36 -3.059 -0.635 2.498 1.00 0.00 N ATOM 532 CA MET A 36 -1.890 -0.958 1.693 1.00 0.00 C ATOM 533 C MET A 36 -2.303 -1.581 0.367 1.00 0.00 C ATOM 534 O MET A 36 -1.619 -1.425 -0.644 1.00 0.00 O ATOM 535 CB MET A 36 -0.972 -1.902 2.479 1.00 0.00 C ATOM 536 CG MET A 36 -0.126 -2.832 1.616 1.00 0.00 C ATOM 537 SD MET A 36 -0.853 -4.475 1.454 1.00 0.00 S ATOM 538 CE MET A 36 -0.719 -4.734 -0.312 1.00 0.00 C ATOM 0 H MET A 36 -2.979 -0.910 3.477 1.00 0.00 H new ATOM 0 HA MET A 36 -1.346 -0.040 1.471 1.00 0.00 H new ATOM 0 HB2 MET A 36 -0.308 -1.305 3.104 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.583 -2.506 3.150 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.004 -2.393 0.626 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.870 -2.920 2.050 1.00 0.00 H new ATOM 0 HE1 MET A 36 -1.079 -5.732 -0.562 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.319 -3.990 -0.835 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.323 -4.638 -0.616 1.00 0.00 H new ATOM 548 N CYS A 37 -3.431 -2.277 0.374 1.00 0.00 N ATOM 549 CA CYS A 37 -3.925 -2.905 -0.838 1.00 0.00 C ATOM 550 C CYS A 37 -4.420 -1.844 -1.814 1.00 0.00 C ATOM 551 O CYS A 37 -4.094 -1.884 -3.000 1.00 0.00 O ATOM 552 CB CYS A 37 -5.019 -3.927 -0.519 1.00 0.00 C ATOM 553 SG CYS A 37 -6.484 -3.248 0.328 1.00 0.00 S ATOM 0 H CYS A 37 -4.015 -2.419 1.198 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.105 -3.446 -1.311 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.340 -4.395 -1.449 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.591 -4.713 0.102 1.00 0.00 H new ATOM 558 N ALA A 38 -5.172 -0.872 -1.304 1.00 0.00 N ATOM 559 CA ALA A 38 -5.672 0.224 -2.135 1.00 0.00 C ATOM 560 C ALA A 38 -4.517 0.871 -2.884 1.00 0.00 C ATOM 561 O ALA A 38 -4.682 1.414 -3.976 1.00 0.00 O ATOM 562 CB ALA A 38 -6.399 1.253 -1.282 1.00 0.00 C ATOM 0 H ALA A 38 -5.449 -0.819 -0.324 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.381 -0.177 -2.859 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.764 2.060 -1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.242 0.779 -0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.713 1.658 -0.538 1.00 0.00 H new ATOM 568 N LEU A 39 -3.342 0.784 -2.279 1.00 0.00 N ATOM 569 CA LEU A 39 -2.123 1.325 -2.850 1.00 0.00 C ATOM 570 C LEU A 39 -1.628 0.432 -3.967 1.00 0.00 C ATOM 571 O LEU A 39 -1.282 0.892 -5.048 1.00 0.00 O ATOM 572 CB LEU A 39 -1.064 1.391 -1.756 1.00 0.00 C ATOM 573 CG LEU A 39 -0.166 2.628 -1.753 1.00 0.00 C ATOM 574 CD1 LEU A 39 -0.971 3.890 -2.013 1.00 0.00 C ATOM 575 CD2 LEU A 39 0.577 2.728 -0.429 1.00 0.00 C ATOM 0 H LEU A 39 -3.209 0.333 -1.374 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.319 2.318 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.566 1.331 -0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.430 0.509 -1.841 1.00 0.00 H new ATOM 0 HG LEU A 39 0.561 2.527 -2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.306 4.754 -2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.459 3.817 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.726 4.006 -1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.215 3.612 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.142 2.805 0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.191 1.839 -0.288 1.00 0.00 H new ATOM 587 N CYS A 40 -1.591 -0.853 -3.679 1.00 0.00 N ATOM 588 CA CYS A 40 -1.128 -1.835 -4.635 1.00 0.00 C ATOM 589 C CYS A 40 -2.050 -1.916 -5.836 1.00 0.00 C ATOM 590 O CYS A 40 -1.617 -2.241 -6.941 1.00 0.00 O ATOM 591 CB CYS A 40 -1.007 -3.188 -3.955 1.00 0.00 C ATOM 592 SG CYS A 40 0.449 -3.301 -2.881 1.00 0.00 S ATOM 0 H CYS A 40 -1.879 -1.243 -2.782 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.148 -1.529 -5.001 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.904 -3.376 -3.365 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.955 -3.969 -4.714 1.00 0.00 H new ATOM 597 N CYS A 41 -3.322 -1.621 -5.618 1.00 0.00 N ATOM 598 CA CYS A 41 -4.294 -1.666 -6.693 1.00 0.00 C ATOM 599 C CYS A 41 -4.369 -0.335 -7.431 1.00 0.00 C ATOM 600 O CYS A 41 -4.616 -0.290 -8.636 1.00 0.00 O ATOM 601 CB CYS A 41 -5.656 -2.029 -6.126 1.00 0.00 C ATOM 602 SG CYS A 41 -6.722 -0.618 -5.686 1.00 0.00 S ATOM 0 H CYS A 41 -3.702 -1.350 -4.711 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.980 -2.424 -7.411 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.181 -2.646 -6.855 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -5.509 -2.642 -5.237 1.00 0.00 H new ATOM 607 N GLU A 42 -4.198 0.749 -6.684 1.00 0.00 N ATOM 608 CA GLU A 42 -4.295 2.095 -7.261 1.00 0.00 C ATOM 609 C GLU A 42 -2.968 2.867 -7.283 1.00 0.00 C ATOM 610 O GLU A 42 -2.974 4.097 -7.307 1.00 0.00 O ATOM 611 CB GLU A 42 -5.341 2.910 -6.500 1.00 0.00 C ATOM 612 CG GLU A 42 -5.708 4.218 -7.183 1.00 0.00 C ATOM 613 CD GLU A 42 -7.177 4.560 -7.038 1.00 0.00 C ATOM 614 OE1 GLU A 42 -8.013 3.858 -7.645 1.00 0.00 O ATOM 615 OE2 GLU A 42 -7.492 5.531 -6.318 1.00 0.00 O ATOM 0 H GLU A 42 -3.993 0.729 -5.685 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.587 1.954 -8.302 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.241 2.308 -6.379 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.965 3.125 -5.500 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.108 5.024 -6.761 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.457 4.154 -8.242 1.00 0.00 H new ATOM 622 N HIS A 43 -1.837 2.167 -7.294 1.00 0.00 N ATOM 623 CA HIS A 43 -0.535 2.848 -7.337 1.00 0.00 C ATOM 624 C HIS A 43 -0.147 3.177 -8.776 1.00 0.00 C ATOM 625 O HIS A 43 -0.762 2.681 -9.721 1.00 0.00 O ATOM 626 CB HIS A 43 0.564 2.004 -6.680 1.00 0.00 C ATOM 627 CG HIS A 43 0.622 0.590 -7.161 1.00 0.00 C ATOM 628 ND1 HIS A 43 0.115 0.178 -8.376 1.00 0.00 N ATOM 629 CD2 HIS A 43 1.148 -0.510 -6.581 1.00 0.00 C ATOM 630 CE1 HIS A 43 0.328 -1.118 -8.520 1.00 0.00 C ATOM 631 NE2 HIS A 43 0.954 -1.559 -7.446 1.00 0.00 N ATOM 0 H HIS A 43 -1.788 1.148 -7.274 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.634 3.776 -6.773 1.00 0.00 H new ATOM 0 HB2 HIS A 43 1.528 2.478 -6.863 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.409 2.003 -5.601 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -0.351 0.779 -9.056 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.631 -0.556 -5.616 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.039 -1.715 -9.372 1.00 0.00 H new ATOM 640 N PRO A 44 0.880 4.022 -8.964 1.00 0.00 N ATOM 641 CA PRO A 44 1.348 4.418 -10.297 1.00 0.00 C ATOM 642 C PRO A 44 2.039 3.269 -11.020 1.00 0.00 C ATOM 643 O PRO A 44 1.522 2.736 -12.002 1.00 0.00 O ATOM 644 CB PRO A 44 2.346 5.555 -10.018 1.00 0.00 C ATOM 645 CG PRO A 44 2.178 5.899 -8.573 1.00 0.00 C ATOM 646 CD PRO A 44 1.670 4.657 -7.903 1.00 0.00 C ATOM 0 HA PRO A 44 0.524 4.718 -10.944 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.368 5.239 -10.228 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.142 6.418 -10.652 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.125 6.217 -8.136 1.00 0.00 H new ATOM 0 HG3 PRO A 44 1.476 6.723 -8.448 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.485 4.016 -7.565 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.062 4.888 -7.028 1.00 0.00 H new ATOM 654 N GLY A 45 3.205 2.886 -10.517 1.00 0.00 N ATOM 655 CA GLY A 45 3.953 1.795 -11.108 1.00 0.00 C ATOM 656 C GLY A 45 4.525 0.871 -10.053 1.00 0.00 C ATOM 657 O GLY A 45 5.571 0.254 -10.253 1.00 0.00 O ATOM 0 H GLY A 45 3.648 3.315 -9.705 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.304 1.228 -11.775 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.763 2.197 -11.717 1.00 0.00 H new ATOM 661 N GLY A 46 3.834 0.789 -8.920 1.00 0.00 N ATOM 662 CA GLY A 46 4.285 -0.054 -7.832 1.00 0.00 C ATOM 663 C GLY A 46 4.811 0.753 -6.663 1.00 0.00 C ATOM 664 O GLY A 46 6.021 0.876 -6.480 1.00 0.00 O ATOM 0 H GLY A 46 2.967 1.294 -8.738 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.460 -0.682 -7.496 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.068 -0.721 -8.192 1.00 0.00 H new ATOM 668 N PHE A 47 3.899 1.310 -5.867 1.00 0.00 N ATOM 669 CA PHE A 47 4.282 2.112 -4.710 1.00 0.00 C ATOM 670 C PHE A 47 5.286 1.360 -3.844 1.00 0.00 C ATOM 671 O PHE A 47 5.201 0.142 -3.689 1.00 0.00 O ATOM 672 CB PHE A 47 3.050 2.487 -3.882 1.00 0.00 C ATOM 673 CG PHE A 47 2.635 3.928 -4.017 1.00 0.00 C ATOM 674 CD1 PHE A 47 2.887 4.637 -5.181 1.00 0.00 C ATOM 675 CD2 PHE A 47 1.981 4.572 -2.979 1.00 0.00 C ATOM 676 CE1 PHE A 47 2.495 5.956 -5.306 1.00 0.00 C ATOM 677 CE2 PHE A 47 1.589 5.890 -3.097 1.00 0.00 C ATOM 678 CZ PHE A 47 1.845 6.583 -4.263 1.00 0.00 C ATOM 0 H PHE A 47 2.892 1.220 -6.003 1.00 0.00 H new ATOM 0 HA PHE A 47 4.750 3.027 -5.072 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.217 1.851 -4.181 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.253 2.275 -2.832 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.396 4.152 -6.001 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.775 4.035 -2.065 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.697 6.496 -6.219 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.082 6.379 -2.278 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.537 7.614 -4.359 1.00 0.00 H new ATOM 688 N GLU A 48 6.239 2.094 -3.290 1.00 0.00 N ATOM 689 CA GLU A 48 7.271 1.494 -2.445 1.00 0.00 C ATOM 690 C GLU A 48 6.929 1.632 -0.977 1.00 0.00 C ATOM 691 O GLU A 48 7.201 2.663 -0.370 1.00 0.00 O ATOM 692 CB GLU A 48 8.609 2.172 -2.693 1.00 0.00 C ATOM 693 CG GLU A 48 9.790 1.404 -2.136 1.00 0.00 C ATOM 694 CD GLU A 48 11.058 1.615 -2.941 1.00 0.00 C ATOM 695 OE1 GLU A 48 11.587 2.746 -2.930 1.00 0.00 O ATOM 696 OE2 GLU A 48 11.521 0.650 -3.584 1.00 0.00 O ATOM 0 H GLU A 48 6.323 3.104 -3.407 1.00 0.00 H new ATOM 0 HA GLU A 48 7.329 0.436 -2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.746 2.305 -3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.591 3.167 -2.248 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.964 1.711 -1.105 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.550 0.341 -2.116 1.00 0.00 H new ATOM 703 N TYR A 49 6.348 0.592 -0.403 1.00 0.00 N ATOM 704 CA TYR A 49 5.988 0.623 0.999 1.00 0.00 C ATOM 705 C TYR A 49 6.773 -0.391 1.801 1.00 0.00 C ATOM 706 O TYR A 49 7.289 -1.374 1.270 1.00 0.00 O ATOM 707 CB TYR A 49 4.507 0.354 1.176 1.00 0.00 C ATOM 708 CG TYR A 49 4.060 -0.876 0.441 1.00 0.00 C ATOM 709 CD1 TYR A 49 4.305 -2.134 0.964 1.00 0.00 C ATOM 710 CD2 TYR A 49 3.414 -0.781 -0.778 1.00 0.00 C ATOM 711 CE1 TYR A 49 3.915 -3.270 0.295 1.00 0.00 C ATOM 712 CE2 TYR A 49 3.023 -1.911 -1.459 1.00 0.00 C ATOM 713 CZ TYR A 49 3.273 -3.155 -0.918 1.00 0.00 C ATOM 714 OH TYR A 49 2.890 -4.285 -1.594 1.00 0.00 O ATOM 0 H TYR A 49 6.118 -0.277 -0.885 1.00 0.00 H new ATOM 0 HA TYR A 49 6.228 1.620 1.368 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.285 0.241 2.237 1.00 0.00 H new ATOM 0 HB3 TYR A 49 3.939 1.214 0.821 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.811 -2.225 1.914 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.214 0.192 -1.201 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.110 -4.245 0.717 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.523 -1.824 -2.412 1.00 0.00 H new ATOM 0 HH TYR A 49 2.256 -4.044 -2.302 1.00 0.00 H new ATOM 724 N SER A 50 6.824 -0.142 3.091 1.00 0.00 N ATOM 725 CA SER A 50 7.505 -1.021 4.023 1.00 0.00 C ATOM 726 C SER A 50 6.654 -1.169 5.264 1.00 0.00 C ATOM 727 O SER A 50 6.606 -0.277 6.112 1.00 0.00 O ATOM 728 CB SER A 50 8.888 -0.489 4.383 1.00 0.00 C ATOM 729 OG SER A 50 8.800 0.690 5.160 1.00 0.00 O ATOM 0 H SER A 50 6.395 0.675 3.526 1.00 0.00 H new ATOM 0 HA SER A 50 7.647 -1.994 3.552 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.440 -1.250 4.934 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.450 -0.285 3.472 1.00 0.00 H new ATOM 0 HG SER A 50 8.174 0.548 5.900 1.00 0.00 H new ATOM 735 N ASN A 51 5.952 -2.284 5.345 1.00 0.00 N ATOM 736 CA ASN A 51 5.062 -2.538 6.463 1.00 0.00 C ATOM 737 C ASN A 51 5.765 -2.384 7.796 1.00 0.00 C ATOM 738 O ASN A 51 6.827 -2.959 8.037 1.00 0.00 O ATOM 739 CB ASN A 51 4.437 -3.921 6.369 1.00 0.00 C ATOM 740 CG ASN A 51 3.848 -4.199 5.000 1.00 0.00 C ATOM 741 OD1 ASN A 51 4.522 -4.729 4.117 1.00 0.00 O ATOM 742 ND2 ASN A 51 2.583 -3.841 4.815 1.00 0.00 N ATOM 0 H ASN A 51 5.981 -3.029 4.649 1.00 0.00 H new ATOM 0 HA ASN A 51 4.273 -1.788 6.406 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.192 -4.674 6.596 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.656 -4.015 7.123 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.134 -4.003 3.914 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.060 -3.404 5.574 1.00 0.00 H new ATOM 749 N GLY A 52 5.143 -1.600 8.655 1.00 0.00 N ATOM 750 CA GLY A 52 5.685 -1.358 9.981 1.00 0.00 C ATOM 751 C GLY A 52 5.582 0.096 10.403 1.00 0.00 C ATOM 752 O GLY A 52 5.595 0.992 9.558 1.00 0.00 O ATOM 0 H GLY A 52 4.264 -1.120 8.461 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.156 -1.979 10.704 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.731 -1.664 10.002 1.00 0.00 H new ATOM 756 N PRO A 53 5.483 0.365 11.717 1.00 0.00 N ATOM 757 CA PRO A 53 5.387 1.732 12.238 1.00 0.00 C ATOM 758 C PRO A 53 6.703 2.486 12.093 1.00 0.00 C ATOM 759 O PRO A 53 7.420 2.707 13.069 1.00 0.00 O ATOM 760 CB PRO A 53 5.040 1.527 13.714 1.00 0.00 C ATOM 761 CG PRO A 53 5.591 0.185 14.049 1.00 0.00 C ATOM 762 CD PRO A 53 5.468 -0.641 12.796 1.00 0.00 C ATOM 0 HA PRO A 53 4.652 2.330 11.700 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.484 2.304 14.337 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.963 1.565 13.876 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.631 0.259 14.367 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.038 -0.269 14.871 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.293 -1.347 12.698 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.547 -1.224 12.788 1.00 0.00 H new ATOM 770 N CYS A 54 7.011 2.869 10.862 1.00 0.00 N ATOM 771 CA CYS A 54 8.242 3.596 10.562 1.00 0.00 C ATOM 772 C CYS A 54 7.954 5.017 10.087 1.00 0.00 C ATOM 773 O CYS A 54 8.853 5.858 10.039 1.00 0.00 O ATOM 774 CB CYS A 54 9.067 2.856 9.501 1.00 0.00 C ATOM 775 SG CYS A 54 8.093 1.853 8.325 1.00 0.00 S ATOM 0 H CYS A 54 6.423 2.688 10.048 1.00 0.00 H new ATOM 0 HA CYS A 54 8.815 3.652 11.488 1.00 0.00 H new ATOM 0 HB2 CYS A 54 9.646 3.588 8.938 1.00 0.00 H new ATOM 0 HB3 CYS A 54 9.780 2.205 10.006 1.00 0.00 H new ATOM 780 N GLU A 55 6.703 5.280 9.733 1.00 0.00 N ATOM 781 CA GLU A 55 6.306 6.598 9.257 1.00 0.00 C ATOM 782 C GLU A 55 5.028 7.063 9.948 1.00 0.00 C ATOM 783 O GLU A 55 4.298 6.201 10.482 1.00 0.00 O ATOM 784 CB GLU A 55 6.107 6.571 7.741 1.00 0.00 C ATOM 785 CG GLU A 55 6.477 7.875 7.054 1.00 0.00 C ATOM 786 CD GLU A 55 5.561 9.020 7.442 1.00 0.00 C ATOM 787 OE1 GLU A 55 4.478 9.147 6.834 1.00 0.00 O ATOM 788 OE2 GLU A 55 5.929 9.790 8.355 1.00 0.00 O ATOM 789 OXT GLU A 55 4.769 8.285 9.952 1.00 0.00 O ATOM 0 H GLU A 55 5.946 4.598 9.767 1.00 0.00 H new ATOM 0 HA GLU A 55 7.101 7.304 9.499 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.707 5.765 7.319 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.064 6.339 7.524 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.505 8.135 7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.440 7.735 5.974 1.00 0.00 H new