USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=8 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 Single : A 2 HIS :FLIP no HD1:sc= -1.31! C(o=-2!,f=-1.3!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -78:sc= -6.57! USER MOD Single : A 9 ASN : amide:sc=-0.00091 X(o=-0.00091,f=-0.34) USER MOD Single : A 15 ASN : amide:sc= -0.519 X(o=-0.52,f=-0.092) USER MOD Single : A 16 LYS NZ :NH3+ 155:sc= -0.182 (180deg=-0.579) 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 :FLIP no HE2:sc= -16.8! C(o=-18!,f=-17!) USER MOD Single : A 35 ASN : amide:sc= -3.06! C(o=-3.1!,f=-12!) USER MOD Single : A 36 MET CE :methyl 175:sc= -10.7! (180deg=-11.1!) USER MOD Single : A 43 HIS : no HE2:sc= -14.4! C(o=-14!,f=-15!) USER MOD Single : A 49 TYR OH : rot 165:sc= -2.27! USER MOD Single : A 50 SER OG : rot 72:sc= -0.0061 USER MOD Single : A 51 ASN : amide:sc= -5.02! C(o=-5!,f=-8.5!) USER MOD ----------------------------------------------------------------- ATOM 13 N HIS A 2 10.214 -2.492 -2.081 1.00 0.00 N ATOM 14 CA HIS A 2 9.177 -1.938 -2.943 1.00 0.00 C ATOM 15 C HIS A 2 8.659 -2.996 -3.918 1.00 0.00 C ATOM 16 O HIS A 2 9.173 -3.143 -5.025 1.00 0.00 O ATOM 17 CB HIS A 2 9.720 -0.719 -3.700 1.00 0.00 C ATOM 18 CG HIS A 2 10.728 -1.044 -4.763 1.00 0.00 C ATOM 19 ND1 HIS A 2 11.635 -2.047 -4.856 1.00 0.00 N flip ATOM 20 CD2 HIS A 2 10.884 -0.287 -5.906 1.00 0.00 C flip ATOM 21 CE1 HIS A 2 12.312 -1.876 -6.037 1.00 0.00 C flip ATOM 22 NE2 HIS A 2 11.840 -0.808 -6.652 1.00 0.00 N flip ATOM 0 HA HIS A 2 8.340 -1.619 -2.321 1.00 0.00 H new ATOM 0 HB2 HIS A 2 8.884 -0.191 -4.159 1.00 0.00 H new ATOM 0 HB3 HIS A 2 10.175 -0.035 -2.983 1.00 0.00 H new ATOM 0 HD2 HIS A 2 10.312 0.596 -6.152 1.00 0.00 H new ATOM 0 HE1 HIS A 2 13.103 -2.513 -6.404 1.00 0.00 H new ATOM 0 HE2 HIS A 2 12.160 -0.447 -7.551 1.00 0.00 H new ATOM 31 N MET A 3 7.637 -3.738 -3.498 1.00 0.00 N ATOM 32 CA MET A 3 7.069 -4.784 -4.346 1.00 0.00 C ATOM 33 C MET A 3 5.770 -5.352 -3.773 1.00 0.00 C ATOM 34 O MET A 3 4.852 -5.689 -4.520 1.00 0.00 O ATOM 35 CB MET A 3 8.086 -5.910 -4.540 1.00 0.00 C ATOM 36 CG MET A 3 8.805 -6.308 -3.260 1.00 0.00 C ATOM 37 SD MET A 3 10.500 -5.696 -3.193 1.00 0.00 S ATOM 38 CE MET A 3 11.419 -7.234 -3.199 1.00 0.00 C ATOM 0 H MET A 3 7.189 -3.637 -2.587 1.00 0.00 H new ATOM 0 HA MET A 3 6.832 -4.329 -5.308 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.576 -6.783 -4.947 1.00 0.00 H new ATOM 0 HB3 MET A 3 8.824 -5.599 -5.280 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.251 -5.925 -2.403 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.812 -7.395 -3.175 1.00 0.00 H new ATOM 0 HE1 MET A 3 12.487 -7.020 -3.161 1.00 0.00 H new ATOM 0 HE2 MET A 3 11.137 -7.830 -2.331 1.00 0.00 H new ATOM 0 HE3 MET A 3 11.193 -7.789 -4.109 1.00 0.00 H new ATOM 48 N ASP A 4 5.700 -5.477 -2.449 1.00 0.00 N ATOM 49 CA ASP A 4 4.514 -6.026 -1.793 1.00 0.00 C ATOM 50 C ASP A 4 3.244 -5.298 -2.226 1.00 0.00 C ATOM 51 O ASP A 4 3.241 -4.080 -2.400 1.00 0.00 O ATOM 52 CB ASP A 4 4.660 -5.953 -0.273 1.00 0.00 C ATOM 53 CG ASP A 4 4.195 -7.222 0.412 1.00 0.00 C ATOM 54 OD1 ASP A 4 3.008 -7.578 0.259 1.00 0.00 O ATOM 55 OD2 ASP A 4 5.018 -7.861 1.100 1.00 0.00 O ATOM 0 H ASP A 4 6.448 -5.207 -1.811 1.00 0.00 H new ATOM 0 HA ASP A 4 4.428 -7.069 -2.097 1.00 0.00 H new ATOM 0 HB2 ASP A 4 5.704 -5.768 -0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.085 -5.108 0.105 1.00 0.00 H new ATOM 60 N CYS A 5 2.165 -6.060 -2.397 1.00 0.00 N ATOM 61 CA CYS A 5 0.882 -5.502 -2.808 1.00 0.00 C ATOM 62 C CYS A 5 -0.271 -6.340 -2.247 1.00 0.00 C ATOM 63 O CYS A 5 -0.213 -6.785 -1.100 1.00 0.00 O ATOM 64 CB CYS A 5 0.811 -5.433 -4.336 1.00 0.00 C ATOM 65 SG CYS A 5 2.225 -4.586 -5.103 1.00 0.00 S ATOM 0 H CYS A 5 2.156 -7.070 -2.256 1.00 0.00 H new ATOM 0 HA CYS A 5 0.790 -4.492 -2.409 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.748 -6.446 -4.733 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.107 -4.920 -4.624 1.00 0.00 H new ATOM 70 N THR A 6 -1.315 -6.565 -3.047 1.00 0.00 N ATOM 71 CA THR A 6 -2.446 -7.355 -2.602 1.00 0.00 C ATOM 72 C THR A 6 -2.015 -8.796 -2.380 1.00 0.00 C ATOM 73 O THR A 6 -1.944 -9.252 -1.242 1.00 0.00 O ATOM 74 CB THR A 6 -3.590 -7.274 -3.624 1.00 0.00 C ATOM 75 OG1 THR A 6 -4.559 -6.346 -3.191 1.00 0.00 O ATOM 76 CG2 THR A 6 -4.315 -8.583 -3.875 1.00 0.00 C ATOM 0 H THR A 6 -1.393 -6.210 -4.000 1.00 0.00 H new ATOM 0 HA THR A 6 -2.811 -6.954 -1.656 1.00 0.00 H new ATOM 0 HB THR A 6 -3.105 -6.977 -4.554 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.117 -6.756 -2.498 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.105 -8.426 -4.610 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.609 -9.323 -4.253 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.752 -8.941 -2.943 1.00 0.00 H new ATOM 84 N GLU A 7 -1.728 -9.510 -3.474 1.00 0.00 N ATOM 85 CA GLU A 7 -1.313 -10.894 -3.392 1.00 0.00 C ATOM 86 C GLU A 7 -1.059 -11.468 -4.778 1.00 0.00 C ATOM 87 O GLU A 7 -0.259 -12.391 -4.934 1.00 0.00 O ATOM 88 CB GLU A 7 -2.393 -11.717 -2.701 1.00 0.00 C ATOM 89 CG GLU A 7 -2.259 -11.740 -1.193 1.00 0.00 C ATOM 90 CD GLU A 7 -2.354 -13.135 -0.610 1.00 0.00 C ATOM 91 OE1 GLU A 7 -3.095 -13.966 -1.175 1.00 0.00 O ATOM 92 OE2 GLU A 7 -1.686 -13.396 0.412 1.00 0.00 O ATOM 0 H GLU A 7 -1.779 -9.141 -4.424 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.387 -10.937 -2.818 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.371 -11.315 -2.965 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.357 -12.739 -3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.302 -11.300 -0.912 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.038 -11.116 -0.755 1.00 0.00 H new ATOM 99 N PHE A 8 -1.761 -10.945 -5.784 1.00 0.00 N ATOM 100 CA PHE A 8 -1.599 -11.465 -7.140 1.00 0.00 C ATOM 101 C PHE A 8 -2.099 -10.485 -8.205 1.00 0.00 C ATOM 102 O PHE A 8 -1.907 -9.278 -8.083 1.00 0.00 O ATOM 103 CB PHE A 8 -2.326 -12.806 -7.243 1.00 0.00 C ATOM 104 CG PHE A 8 -1.706 -13.745 -8.230 1.00 0.00 C ATOM 105 CD1 PHE A 8 -0.335 -13.925 -8.262 1.00 0.00 C ATOM 106 CD2 PHE A 8 -2.496 -14.444 -9.124 1.00 0.00 C ATOM 107 CE1 PHE A 8 0.242 -14.791 -9.170 1.00 0.00 C ATOM 108 CE2 PHE A 8 -1.927 -15.313 -10.037 1.00 0.00 C ATOM 109 CZ PHE A 8 -0.556 -15.487 -10.060 1.00 0.00 C ATOM 0 H PHE A 8 -2.431 -10.181 -5.690 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.535 -11.603 -7.332 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.340 -13.280 -6.261 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.364 -12.627 -7.525 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.291 -13.382 -7.569 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.568 -14.310 -9.109 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.314 -14.924 -9.185 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.553 -15.855 -10.731 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.109 -16.165 -10.772 1.00 0.00 H new ATOM 119 N ASN A 9 -2.738 -11.017 -9.253 1.00 0.00 N ATOM 120 CA ASN A 9 -3.262 -10.193 -10.336 1.00 0.00 C ATOM 121 C ASN A 9 -4.426 -9.356 -9.831 1.00 0.00 C ATOM 122 O ASN A 9 -4.403 -8.132 -9.946 1.00 0.00 O ATOM 123 CB ASN A 9 -3.711 -11.069 -11.507 1.00 0.00 C ATOM 124 CG ASN A 9 -2.544 -11.554 -12.345 1.00 0.00 C ATOM 125 OD1 ASN A 9 -1.690 -10.768 -12.755 1.00 0.00 O ATOM 126 ND2 ASN A 9 -2.502 -12.855 -12.601 1.00 0.00 N ATOM 0 H ASN A 9 -2.902 -12.017 -9.370 1.00 0.00 H new ATOM 0 HA ASN A 9 -2.471 -9.530 -10.686 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -4.262 -11.928 -11.124 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.398 -10.504 -12.137 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -1.740 -13.241 -13.158 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -3.232 -13.470 -12.240 1.00 0.00 H new ATOM 133 N PRO A 10 -5.450 -9.988 -9.229 1.00 0.00 N ATOM 134 CA PRO A 10 -6.582 -9.252 -8.674 1.00 0.00 C ATOM 135 C PRO A 10 -6.111 -8.418 -7.490 1.00 0.00 C ATOM 136 O PRO A 10 -6.368 -8.755 -6.335 1.00 0.00 O ATOM 137 CB PRO A 10 -7.551 -10.349 -8.224 1.00 0.00 C ATOM 138 CG PRO A 10 -6.696 -11.553 -8.018 1.00 0.00 C ATOM 139 CD PRO A 10 -5.572 -11.442 -9.011 1.00 0.00 C ATOM 0 HA PRO A 10 -7.044 -8.563 -9.381 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.067 -10.069 -7.306 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.318 -10.533 -8.977 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.313 -11.589 -6.998 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.267 -12.468 -8.176 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -4.648 -11.869 -8.621 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.801 -11.969 -9.937 1.00 0.00 H new ATOM 147 N LEU A 11 -5.373 -7.356 -7.806 1.00 0.00 N ATOM 148 CA LEU A 11 -4.791 -6.460 -6.806 1.00 0.00 C ATOM 149 C LEU A 11 -5.781 -6.060 -5.720 1.00 0.00 C ATOM 150 O LEU A 11 -6.751 -6.762 -5.455 1.00 0.00 O ATOM 151 CB LEU A 11 -4.205 -5.207 -7.477 1.00 0.00 C ATOM 152 CG LEU A 11 -3.331 -5.425 -8.723 1.00 0.00 C ATOM 153 CD1 LEU A 11 -2.536 -6.718 -8.629 1.00 0.00 C ATOM 154 CD2 LEU A 11 -4.179 -5.395 -9.988 1.00 0.00 C ATOM 0 H LEU A 11 -5.160 -7.090 -8.768 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.992 -7.018 -6.318 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.032 -4.553 -7.754 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.611 -4.673 -6.736 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.614 -4.605 -8.773 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.930 -6.839 -9.527 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.886 -6.683 -7.755 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.221 -7.561 -8.538 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.541 -5.551 -10.858 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.929 -6.184 -9.942 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.675 -4.428 -10.071 1.00 0.00 H new ATOM 166 N CYS A 12 -5.472 -4.938 -5.074 1.00 0.00 N ATOM 167 CA CYS A 12 -6.249 -4.393 -3.949 1.00 0.00 C ATOM 168 C CYS A 12 -7.646 -4.973 -3.847 1.00 0.00 C ATOM 169 O CYS A 12 -8.653 -4.279 -3.989 1.00 0.00 O ATOM 170 CB CYS A 12 -6.327 -2.872 -4.022 1.00 0.00 C ATOM 171 SG CYS A 12 -7.294 -2.214 -5.416 1.00 0.00 S ATOM 0 H CYS A 12 -4.662 -4.368 -5.317 1.00 0.00 H new ATOM 0 HA CYS A 12 -5.711 -4.689 -3.048 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.760 -2.501 -3.093 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.314 -2.474 -4.083 1.00 0.00 H new ATOM 176 N ARG A 13 -7.678 -6.260 -3.559 1.00 0.00 N ATOM 177 CA ARG A 13 -8.927 -6.983 -3.384 1.00 0.00 C ATOM 178 C ARG A 13 -9.305 -7.005 -1.906 1.00 0.00 C ATOM 179 O ARG A 13 -9.911 -7.959 -1.420 1.00 0.00 O ATOM 180 CB ARG A 13 -8.796 -8.413 -3.914 1.00 0.00 C ATOM 181 CG ARG A 13 -10.109 -9.004 -4.404 1.00 0.00 C ATOM 182 CD ARG A 13 -10.452 -8.520 -5.804 1.00 0.00 C ATOM 183 NE ARG A 13 -10.624 -9.630 -6.739 1.00 0.00 N ATOM 184 CZ ARG A 13 -11.158 -9.501 -7.951 1.00 0.00 C ATOM 185 NH1 ARG A 13 -11.574 -8.315 -8.378 1.00 0.00 N ATOM 186 NH2 ARG A 13 -11.278 -10.561 -8.738 1.00 0.00 N ATOM 0 H ARG A 13 -6.843 -6.834 -3.440 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.710 -6.476 -3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.075 -8.424 -4.731 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.393 -9.048 -3.125 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.043 -10.092 -4.400 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.910 -8.731 -3.717 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.368 -7.930 -5.770 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.661 -7.862 -6.164 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.317 -10.557 -6.446 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.485 -7.496 -7.776 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.982 -8.222 -9.308 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.961 -11.475 -8.414 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.687 -10.463 -9.667 1.00 0.00 H new ATOM 200 N CYS A 14 -8.936 -5.938 -1.195 1.00 0.00 N ATOM 201 CA CYS A 14 -9.226 -5.820 0.222 1.00 0.00 C ATOM 202 C CYS A 14 -9.918 -4.491 0.517 1.00 0.00 C ATOM 203 O CYS A 14 -9.319 -3.420 0.421 1.00 0.00 O ATOM 204 CB CYS A 14 -7.936 -5.981 1.052 1.00 0.00 C ATOM 205 SG CYS A 14 -6.995 -4.440 1.371 1.00 0.00 S ATOM 0 H CYS A 14 -8.433 -5.142 -1.587 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.908 -6.621 0.509 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.197 -6.430 2.010 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.281 -6.684 0.538 1.00 0.00 H new ATOM 210 N ASN A 15 -11.190 -4.573 0.868 1.00 0.00 N ATOM 211 CA ASN A 15 -11.972 -3.381 1.177 1.00 0.00 C ATOM 212 C ASN A 15 -11.694 -2.938 2.595 1.00 0.00 C ATOM 213 O ASN A 15 -11.349 -1.785 2.827 1.00 0.00 O ATOM 214 CB ASN A 15 -13.467 -3.652 1.018 1.00 0.00 C ATOM 215 CG ASN A 15 -14.114 -2.769 -0.032 1.00 0.00 C ATOM 216 OD1 ASN A 15 -14.982 -3.214 -0.783 1.00 0.00 O ATOM 217 ND2 ASN A 15 -13.697 -1.509 -0.089 1.00 0.00 N ATOM 0 H ASN A 15 -11.705 -5.450 0.947 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.682 -2.595 0.480 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -13.616 -4.698 0.749 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.964 -3.495 1.975 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.099 -0.869 -0.774 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.975 -1.181 0.553 1.00 0.00 H new ATOM 224 N LYS A 16 -11.863 -3.881 3.527 1.00 0.00 N ATOM 225 CA LYS A 16 -11.655 -3.661 4.960 1.00 0.00 C ATOM 226 C LYS A 16 -10.795 -2.439 5.233 1.00 0.00 C ATOM 227 O LYS A 16 -9.708 -2.545 5.792 1.00 0.00 O ATOM 228 CB LYS A 16 -11.020 -4.900 5.594 1.00 0.00 C ATOM 229 CG LYS A 16 -11.100 -4.913 7.113 1.00 0.00 C ATOM 230 CD LYS A 16 -12.083 -5.962 7.610 1.00 0.00 C ATOM 231 CE LYS A 16 -11.620 -7.368 7.264 1.00 0.00 C ATOM 232 NZ LYS A 16 -10.169 -7.560 7.533 1.00 0.00 N ATOM 0 H LYS A 16 -12.153 -4.833 3.303 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.632 -3.480 5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.513 -5.791 5.205 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.974 -4.957 5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.112 -5.112 7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.404 -3.929 7.471 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.198 -5.871 8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.063 -5.782 7.169 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.195 -8.091 7.842 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.823 -7.568 6.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.977 -8.569 7.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.618 -7.232 6.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.897 -7.014 8.375 1.00 0.00 H new ATOM 246 N MET A 17 -11.302 -1.291 4.802 1.00 0.00 N ATOM 247 CA MET A 17 -10.615 -0.002 4.954 1.00 0.00 C ATOM 248 C MET A 17 -10.035 0.196 6.356 1.00 0.00 C ATOM 249 O MET A 17 -10.431 1.099 7.093 1.00 0.00 O ATOM 250 CB MET A 17 -11.572 1.134 4.656 1.00 0.00 C ATOM 251 CG MET A 17 -11.647 1.509 3.185 1.00 0.00 C ATOM 252 SD MET A 17 -13.044 0.742 2.341 1.00 0.00 S ATOM 253 CE MET A 17 -14.290 2.015 2.520 1.00 0.00 C ATOM 0 H MET A 17 -12.206 -1.221 4.334 1.00 0.00 H new ATOM 0 HA MET A 17 -9.787 -0.004 4.246 1.00 0.00 H new ATOM 0 HB2 MET A 17 -12.568 0.856 5.001 1.00 0.00 H new ATOM 0 HB3 MET A 17 -11.269 2.010 5.229 1.00 0.00 H new ATOM 0 HG2 MET A 17 -11.723 2.593 3.094 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.722 1.212 2.691 1.00 0.00 H new ATOM 0 HE1 MET A 17 -15.216 1.687 2.047 1.00 0.00 H new ATOM 0 HE2 MET A 17 -14.470 2.202 3.579 1.00 0.00 H new ATOM 0 HE3 MET A 17 -13.944 2.932 2.044 1.00 0.00 H new ATOM 263 N LEU A 18 -9.091 -0.650 6.697 1.00 0.00 N ATOM 264 CA LEU A 18 -8.414 -0.606 7.982 1.00 0.00 C ATOM 265 C LEU A 18 -7.235 -1.570 7.986 1.00 0.00 C ATOM 266 O LEU A 18 -7.158 -2.479 8.813 1.00 0.00 O ATOM 267 CB LEU A 18 -9.389 -0.941 9.110 1.00 0.00 C ATOM 268 CG LEU A 18 -10.105 -2.290 8.982 1.00 0.00 C ATOM 269 CD1 LEU A 18 -9.494 -3.314 9.928 1.00 0.00 C ATOM 270 CD2 LEU A 18 -11.593 -2.131 9.257 1.00 0.00 C ATOM 0 H LEU A 18 -8.764 -1.399 6.086 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.037 0.403 8.146 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.845 -0.926 10.054 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.141 -0.154 9.163 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.979 -2.650 7.961 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.016 -4.265 9.822 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.440 -3.450 9.685 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.587 -2.962 10.955 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.086 -3.098 9.162 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.737 -1.748 10.267 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.023 -1.432 8.539 1.00 0.00 H new ATOM 282 N GLY A 19 -6.326 -1.371 7.043 1.00 0.00 N ATOM 283 CA GLY A 19 -5.165 -2.236 6.929 1.00 0.00 C ATOM 284 C GLY A 19 -4.023 -1.830 7.841 1.00 0.00 C ATOM 285 O GLY A 19 -4.190 -0.992 8.726 1.00 0.00 O ATOM 0 H GLY A 19 -6.370 -0.623 6.351 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.459 -3.260 7.160 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.816 -2.230 5.896 1.00 0.00 H new ATOM 289 N ASP A 20 -2.861 -2.437 7.622 1.00 0.00 N ATOM 290 CA ASP A 20 -1.679 -2.154 8.423 1.00 0.00 C ATOM 291 C ASP A 20 -1.183 -0.732 8.197 1.00 0.00 C ATOM 292 O ASP A 20 -1.724 0.006 7.375 1.00 0.00 O ATOM 293 CB ASP A 20 -0.563 -3.148 8.095 1.00 0.00 C ATOM 294 CG ASP A 20 -1.079 -4.557 7.871 1.00 0.00 C ATOM 295 OD1 ASP A 20 -1.707 -4.800 6.819 1.00 0.00 O ATOM 296 OD2 ASP A 20 -0.854 -5.418 8.747 1.00 0.00 O ATOM 0 H ASP A 20 -2.714 -3.133 6.891 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.958 -2.257 9.472 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.035 -2.813 7.202 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.161 -3.156 8.910 1.00 0.00 H new ATOM 301 N LEU A 21 -0.152 -0.359 8.941 1.00 0.00 N ATOM 302 CA LEU A 21 0.434 0.969 8.845 1.00 0.00 C ATOM 303 C LEU A 21 1.626 0.974 7.895 1.00 0.00 C ATOM 304 O LEU A 21 2.778 1.052 8.320 1.00 0.00 O ATOM 305 CB LEU A 21 0.865 1.448 10.229 1.00 0.00 C ATOM 306 CG LEU A 21 1.340 0.349 11.179 1.00 0.00 C ATOM 307 CD1 LEU A 21 2.562 -0.355 10.615 1.00 0.00 C ATOM 308 CD2 LEU A 21 1.637 0.926 12.555 1.00 0.00 C ATOM 0 H LEU A 21 0.300 -0.966 9.625 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.320 1.648 8.447 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.668 2.176 10.110 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.028 1.970 10.692 1.00 0.00 H new ATOM 0 HG LEU A 21 0.542 -0.386 11.281 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.885 -1.134 11.306 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.312 -0.804 9.654 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.368 0.367 10.480 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.974 0.130 13.219 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.417 1.683 12.472 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.733 1.379 12.962 1.00 0.00 H new ATOM 320 N ILE A 22 1.335 0.893 6.608 1.00 0.00 N ATOM 321 CA ILE A 22 2.380 0.887 5.586 1.00 0.00 C ATOM 322 C ILE A 22 2.890 2.295 5.317 1.00 0.00 C ATOM 323 O ILE A 22 2.138 3.267 5.389 1.00 0.00 O ATOM 324 CB ILE A 22 1.884 0.276 4.250 1.00 0.00 C ATOM 325 CG1 ILE A 22 2.827 0.621 3.101 1.00 0.00 C ATOM 326 CG2 ILE A 22 0.484 0.760 3.931 1.00 0.00 C ATOM 327 CD1 ILE A 22 2.449 1.878 2.343 1.00 0.00 C ATOM 0 H ILE A 22 0.385 0.830 6.241 1.00 0.00 H new ATOM 0 HA ILE A 22 3.188 0.269 5.978 1.00 0.00 H new ATOM 0 HB ILE A 22 1.868 -0.808 4.367 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.836 0.738 3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.853 -0.216 2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.153 0.321 2.990 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.195 0.461 4.730 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.486 1.846 3.843 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.170 2.051 1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.454 1.759 1.915 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.452 2.729 3.025 1.00 0.00 H new ATOM 339 N CYS A 23 4.171 2.391 4.979 1.00 0.00 N ATOM 340 CA CYS A 23 4.783 3.674 4.669 1.00 0.00 C ATOM 341 C CYS A 23 5.231 3.694 3.213 1.00 0.00 C ATOM 342 O CYS A 23 6.373 3.354 2.902 1.00 0.00 O ATOM 343 CB CYS A 23 5.976 3.936 5.590 1.00 0.00 C ATOM 344 SG CYS A 23 5.646 3.601 7.349 1.00 0.00 S ATOM 0 H CYS A 23 4.805 1.594 4.913 1.00 0.00 H new ATOM 0 HA CYS A 23 4.046 4.461 4.828 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.814 3.320 5.265 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.284 4.976 5.481 1.00 0.00 H new ATOM 349 N ALA A 24 4.322 4.076 2.317 1.00 0.00 N ATOM 350 CA ALA A 24 4.635 4.116 0.898 1.00 0.00 C ATOM 351 C ALA A 24 5.372 5.386 0.522 1.00 0.00 C ATOM 352 O ALA A 24 5.405 6.352 1.284 1.00 0.00 O ATOM 353 CB ALA A 24 3.383 3.945 0.056 1.00 0.00 C ATOM 0 H ALA A 24 3.370 4.360 2.551 1.00 0.00 H new ATOM 0 HA ALA A 24 5.300 3.278 0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.648 3.979 -1.001 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.920 2.985 0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.681 4.748 0.280 1.00 0.00 H new ATOM 359 N VAL A 25 5.968 5.366 -0.660 1.00 0.00 N ATOM 360 CA VAL A 25 6.723 6.501 -1.158 1.00 0.00 C ATOM 361 C VAL A 25 6.612 6.617 -2.668 1.00 0.00 C ATOM 362 O VAL A 25 6.617 5.602 -3.392 1.00 0.00 O ATOM 363 CB VAL A 25 8.212 6.411 -0.776 1.00 0.00 C ATOM 364 CG1 VAL A 25 8.897 7.756 -0.973 1.00 0.00 C ATOM 365 CG2 VAL A 25 8.372 5.927 0.658 1.00 0.00 C ATOM 0 H VAL A 25 5.942 4.569 -1.295 1.00 0.00 H new ATOM 0 HA VAL A 25 6.290 7.386 -0.691 1.00 0.00 H new ATOM 0 HB VAL A 25 8.691 5.685 -1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.948 7.673 -0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.818 8.055 -2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.416 8.505 -0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.432 5.871 0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.877 6.624 1.335 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.922 4.939 0.761 1.00 0.00 H new ATOM 375 N ILE A 26 6.519 7.866 -3.125 1.00 0.00 N ATOM 376 CA ILE A 26 6.414 8.182 -4.544 1.00 0.00 C ATOM 377 C ILE A 26 7.653 8.930 -5.023 1.00 0.00 C ATOM 378 O ILE A 26 7.673 10.161 -5.059 1.00 0.00 O ATOM 379 CB ILE A 26 5.173 9.049 -4.866 1.00 0.00 C ATOM 380 CG1 ILE A 26 4.609 9.711 -3.602 1.00 0.00 C ATOM 381 CG2 ILE A 26 4.109 8.224 -5.568 1.00 0.00 C ATOM 382 CD1 ILE A 26 3.839 8.768 -2.698 1.00 0.00 C ATOM 0 H ILE A 26 6.515 8.686 -2.518 1.00 0.00 H new ATOM 0 HA ILE A 26 6.319 7.227 -5.061 1.00 0.00 H new ATOM 0 HB ILE A 26 5.489 9.845 -5.541 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.432 10.148 -3.036 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.954 10.531 -3.896 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.245 8.853 -5.785 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.512 7.827 -6.500 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.804 7.399 -4.924 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.474 9.314 -1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.994 8.350 -3.244 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.495 7.961 -2.371 1.00 0.00 H new ATOM 394 N GLY A 27 8.681 8.179 -5.377 1.00 0.00 N ATOM 395 CA GLY A 27 9.922 8.768 -5.848 1.00 0.00 C ATOM 396 C GLY A 27 10.683 9.460 -4.739 1.00 0.00 C ATOM 397 O GLY A 27 11.837 9.131 -4.463 1.00 0.00 O ATOM 0 H GLY A 27 8.681 7.159 -5.347 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.548 7.990 -6.286 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.704 9.485 -6.639 1.00 0.00 H new ATOM 401 N ASP A 28 10.027 10.418 -4.103 1.00 0.00 N ATOM 402 CA ASP A 28 10.630 11.166 -3.010 1.00 0.00 C ATOM 403 C ASP A 28 9.560 11.704 -2.065 1.00 0.00 C ATOM 404 O ASP A 28 9.795 12.667 -1.335 1.00 0.00 O ATOM 405 CB ASP A 28 11.476 12.318 -3.554 1.00 0.00 C ATOM 406 CG ASP A 28 10.654 13.316 -4.344 1.00 0.00 C ATOM 407 OD1 ASP A 28 10.418 13.073 -5.547 1.00 0.00 O ATOM 408 OD2 ASP A 28 10.245 14.343 -3.761 1.00 0.00 O ATOM 0 H ASP A 28 9.072 10.697 -4.326 1.00 0.00 H new ATOM 0 HA ASP A 28 11.275 10.488 -2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.964 12.830 -2.725 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.265 11.917 -4.190 1.00 0.00 H new ATOM 413 N ALA A 29 8.386 11.077 -2.081 1.00 0.00 N ATOM 414 CA ALA A 29 7.289 11.503 -1.217 1.00 0.00 C ATOM 415 C ALA A 29 6.718 10.321 -0.441 1.00 0.00 C ATOM 416 O ALA A 29 5.951 9.525 -0.980 1.00 0.00 O ATOM 417 CB ALA A 29 6.203 12.184 -2.034 1.00 0.00 C ATOM 0 H ALA A 29 8.171 10.278 -2.678 1.00 0.00 H new ATOM 0 HA ALA A 29 7.681 12.221 -0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.393 12.495 -1.375 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.619 13.058 -2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.817 11.488 -2.779 1.00 0.00 H new ATOM 423 N LYS A 30 7.104 10.209 0.825 1.00 0.00 N ATOM 424 CA LYS A 30 6.640 9.117 1.672 1.00 0.00 C ATOM 425 C LYS A 30 5.356 9.490 2.415 1.00 0.00 C ATOM 426 O LYS A 30 5.136 10.653 2.754 1.00 0.00 O ATOM 427 CB LYS A 30 7.733 8.729 2.673 1.00 0.00 C ATOM 428 CG LYS A 30 7.312 7.652 3.662 1.00 0.00 C ATOM 429 CD LYS A 30 8.289 7.551 4.822 1.00 0.00 C ATOM 430 CE LYS A 30 9.618 6.957 4.383 1.00 0.00 C ATOM 431 NZ LYS A 30 10.210 6.085 5.434 1.00 0.00 N ATOM 0 H LYS A 30 7.737 10.861 1.287 1.00 0.00 H new ATOM 0 HA LYS A 30 6.419 8.265 1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.608 8.381 2.124 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.037 9.618 3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.315 7.875 4.042 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.251 6.691 3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.455 8.541 5.246 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.857 6.935 5.610 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.473 6.379 3.470 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.314 7.761 4.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.115 5.700 5.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.372 6.642 6.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.558 5.303 5.644 1.00 0.00 H new ATOM 445 N GLU A 31 4.518 8.487 2.668 1.00 0.00 N ATOM 446 CA GLU A 31 3.256 8.689 3.375 1.00 0.00 C ATOM 447 C GLU A 31 2.748 7.370 3.947 1.00 0.00 C ATOM 448 O GLU A 31 3.128 6.296 3.482 1.00 0.00 O ATOM 449 CB GLU A 31 2.206 9.291 2.438 1.00 0.00 C ATOM 450 CG GLU A 31 1.282 10.288 3.119 1.00 0.00 C ATOM 451 CD GLU A 31 -0.068 9.690 3.464 1.00 0.00 C ATOM 452 OE1 GLU A 31 -0.981 9.754 2.614 1.00 0.00 O ATOM 453 OE2 GLU A 31 -0.213 9.157 4.585 1.00 0.00 O ATOM 0 H GLU A 31 4.692 7.521 2.392 1.00 0.00 H new ATOM 0 HA GLU A 31 3.433 9.384 4.196 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.712 9.785 1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.607 8.486 2.012 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.756 10.654 4.029 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.138 11.149 2.466 1.00 0.00 H new ATOM 460 N GLU A 32 1.885 7.451 4.957 1.00 0.00 N ATOM 461 CA GLU A 32 1.332 6.253 5.579 1.00 0.00 C ATOM 462 C GLU A 32 0.015 5.852 4.935 1.00 0.00 C ATOM 463 O GLU A 32 -0.758 6.701 4.491 1.00 0.00 O ATOM 464 CB GLU A 32 1.106 6.467 7.075 1.00 0.00 C ATOM 465 CG GLU A 32 2.266 6.004 7.941 1.00 0.00 C ATOM 466 CD GLU A 32 2.222 6.592 9.339 1.00 0.00 C ATOM 467 OE1 GLU A 32 2.067 7.825 9.459 1.00 0.00 O ATOM 468 OE2 GLU A 32 2.341 5.818 10.312 1.00 0.00 O ATOM 0 H GLU A 32 1.556 8.329 5.359 1.00 0.00 H new ATOM 0 HA GLU A 32 2.059 5.455 5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.928 7.527 7.258 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.204 5.935 7.377 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.253 4.916 8.008 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.205 6.283 7.463 1.00 0.00 H new ATOM 475 N HIS A 33 -0.239 4.552 4.906 1.00 0.00 N ATOM 476 CA HIS A 33 -1.473 4.034 4.336 1.00 0.00 C ATOM 477 C HIS A 33 -1.983 2.832 5.119 1.00 0.00 C ATOM 478 O HIS A 33 -1.205 2.019 5.616 1.00 0.00 O ATOM 479 CB HIS A 33 -1.273 3.640 2.876 1.00 0.00 C ATOM 480 CG HIS A 33 -0.627 4.701 2.047 1.00 0.00 C ATOM 481 ND1 HIS A 33 -1.140 5.809 1.466 1.00 0.00 N flip ATOM 482 CD2 HIS A 33 0.704 4.674 1.708 1.00 0.00 C flip ATOM 483 CE1 HIS A 33 -0.118 6.422 0.787 1.00 0.00 C flip ATOM 484 NE2 HIS A 33 0.984 5.715 0.948 1.00 0.00 N flip ATOM 0 H HIS A 33 0.392 3.838 5.270 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.215 4.830 4.395 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.663 2.738 2.833 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.241 3.391 2.441 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -2.107 6.129 1.522 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.411 3.918 2.016 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.202 7.334 0.214 1.00 0.00 H new ATOM 493 N ARG A 34 -3.298 2.729 5.217 1.00 0.00 N ATOM 494 CA ARG A 34 -3.934 1.626 5.928 1.00 0.00 C ATOM 495 C ARG A 34 -4.138 0.430 5.006 1.00 0.00 C ATOM 496 O ARG A 34 -3.515 -0.617 5.183 1.00 0.00 O ATOM 497 CB ARG A 34 -5.281 2.063 6.482 1.00 0.00 C ATOM 498 CG ARG A 34 -5.251 2.438 7.955 1.00 0.00 C ATOM 499 CD ARG A 34 -4.181 3.479 8.251 1.00 0.00 C ATOM 500 NE ARG A 34 -3.393 3.132 9.433 1.00 0.00 N ATOM 501 CZ ARG A 34 -3.788 3.364 10.682 1.00 0.00 C ATOM 502 NH1 ARG A 34 -4.962 3.939 10.919 1.00 0.00 N ATOM 503 NH2 ARG A 34 -3.010 3.018 11.698 1.00 0.00 N ATOM 0 H ARG A 34 -3.952 3.399 4.811 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.277 1.335 6.748 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.639 2.917 5.907 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.001 1.257 6.337 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.226 2.824 8.252 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.066 1.546 8.554 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.520 3.575 7.390 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.652 4.451 8.401 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.487 2.686 9.291 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.566 4.205 10.141 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.260 4.114 11.879 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.109 2.574 11.522 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.313 3.196 12.656 1.00 0.00 H new ATOM 517 N ASN A 35 -5.017 0.595 4.019 1.00 0.00 N ATOM 518 CA ASN A 35 -5.304 -0.474 3.072 1.00 0.00 C ATOM 519 C ASN A 35 -4.200 -0.549 2.033 1.00 0.00 C ATOM 520 O ASN A 35 -4.370 -0.166 0.874 1.00 0.00 O ATOM 521 CB ASN A 35 -6.661 -0.255 2.404 1.00 0.00 C ATOM 522 CG ASN A 35 -7.797 -0.831 3.226 1.00 0.00 C ATOM 523 OD1 ASN A 35 -7.752 -0.821 4.456 1.00 0.00 O ATOM 524 ND2 ASN A 35 -8.823 -1.339 2.553 1.00 0.00 N ATOM 0 H ASN A 35 -5.539 1.456 3.857 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.346 -1.420 3.611 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.825 0.813 2.257 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.658 -0.716 1.416 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.614 -1.741 3.056 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.820 -1.327 1.533 1.00 0.00 H new ATOM 531 N MET A 36 -3.060 -1.045 2.486 1.00 0.00 N ATOM 532 CA MET A 36 -1.878 -1.194 1.661 1.00 0.00 C ATOM 533 C MET A 36 -2.214 -1.827 0.312 1.00 0.00 C ATOM 534 O MET A 36 -1.541 -1.571 -0.686 1.00 0.00 O ATOM 535 CB MET A 36 -0.849 -2.018 2.443 1.00 0.00 C ATOM 536 CG MET A 36 -0.188 -3.153 1.662 1.00 0.00 C ATOM 537 SD MET A 36 0.945 -2.598 0.364 1.00 0.00 S ATOM 538 CE MET A 36 0.989 -0.824 0.613 1.00 0.00 C ATOM 0 H MET A 36 -2.931 -1.358 3.448 1.00 0.00 H new ATOM 0 HA MET A 36 -1.458 -0.214 1.434 1.00 0.00 H new ATOM 0 HB2 MET A 36 -0.070 -1.347 2.804 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.338 -2.440 3.321 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.359 -3.788 2.359 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.965 -3.770 1.211 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.718 -0.379 -0.065 1.00 0.00 H new ATOM 0 HE2 MET A 36 0.004 -0.404 0.412 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.272 -0.608 1.643 1.00 0.00 H new ATOM 548 N CYS A 37 -3.267 -2.638 0.278 1.00 0.00 N ATOM 549 CA CYS A 37 -3.677 -3.277 -0.967 1.00 0.00 C ATOM 550 C CYS A 37 -4.069 -2.216 -1.979 1.00 0.00 C ATOM 551 O CYS A 37 -3.463 -2.103 -3.045 1.00 0.00 O ATOM 552 CB CYS A 37 -4.851 -4.250 -0.761 1.00 0.00 C ATOM 553 SG CYS A 37 -5.067 -4.906 0.928 1.00 0.00 S ATOM 0 H CYS A 37 -3.845 -2.866 1.087 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.829 -3.855 -1.335 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.771 -3.743 -1.052 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.722 -5.092 -1.441 1.00 0.00 H new ATOM 558 N ALA A 38 -5.067 -1.419 -1.621 1.00 0.00 N ATOM 559 CA ALA A 38 -5.525 -0.334 -2.480 1.00 0.00 C ATOM 560 C ALA A 38 -4.369 0.599 -2.816 1.00 0.00 C ATOM 561 O ALA A 38 -4.452 1.399 -3.749 1.00 0.00 O ATOM 562 CB ALA A 38 -6.652 0.431 -1.802 1.00 0.00 C ATOM 0 H ALA A 38 -5.576 -1.503 -0.741 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.905 -0.758 -3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.986 1.239 -2.453 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.484 -0.245 -1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.294 0.848 -0.861 1.00 0.00 H new ATOM 568 N LEU A 39 -3.294 0.497 -2.040 1.00 0.00 N ATOM 569 CA LEU A 39 -2.125 1.333 -2.241 1.00 0.00 C ATOM 570 C LEU A 39 -1.322 0.897 -3.454 1.00 0.00 C ATOM 571 O LEU A 39 -1.001 1.717 -4.307 1.00 0.00 O ATOM 572 CB LEU A 39 -1.240 1.310 -0.986 1.00 0.00 C ATOM 573 CG LEU A 39 -1.021 2.659 -0.297 1.00 0.00 C ATOM 574 CD1 LEU A 39 0.167 3.380 -0.907 1.00 0.00 C ATOM 575 CD2 LEU A 39 -2.277 3.524 -0.368 1.00 0.00 C ATOM 0 H LEU A 39 -3.213 -0.160 -1.264 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.472 2.350 -2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.684 0.623 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.267 0.901 -1.259 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.807 2.471 0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.308 4.337 -0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.063 2.771 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.016 3.550 -1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.092 4.476 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.536 3.704 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.101 3.010 0.127 1.00 0.00 H new ATOM 587 N CYS A 40 -0.993 -0.383 -3.539 1.00 0.00 N ATOM 588 CA CYS A 40 -0.210 -0.865 -4.676 1.00 0.00 C ATOM 589 C CYS A 40 -1.053 -0.927 -5.938 1.00 0.00 C ATOM 590 O CYS A 40 -0.528 -0.863 -7.049 1.00 0.00 O ATOM 591 CB CYS A 40 0.403 -2.240 -4.403 1.00 0.00 C ATOM 592 SG CYS A 40 1.431 -2.850 -5.783 1.00 0.00 S ATOM 0 H CYS A 40 -1.247 -1.095 -2.854 1.00 0.00 H new ATOM 0 HA CYS A 40 0.599 -0.150 -4.823 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.011 -2.188 -3.500 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.396 -2.956 -4.208 1.00 0.00 H new ATOM 597 N CYS A 41 -2.359 -1.058 -5.770 1.00 0.00 N ATOM 598 CA CYS A 41 -3.256 -1.135 -6.909 1.00 0.00 C ATOM 599 C CYS A 41 -3.602 0.253 -7.432 1.00 0.00 C ATOM 600 O CYS A 41 -3.821 0.445 -8.628 1.00 0.00 O ATOM 601 CB CYS A 41 -4.522 -1.898 -6.527 1.00 0.00 C ATOM 602 SG CYS A 41 -6.014 -0.885 -6.253 1.00 0.00 S ATOM 0 H CYS A 41 -2.818 -1.113 -4.861 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.748 -1.673 -7.710 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.738 -2.621 -7.313 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -4.320 -2.465 -5.618 1.00 0.00 H new ATOM 607 N GLU A 42 -3.678 1.209 -6.518 1.00 0.00 N ATOM 608 CA GLU A 42 -4.033 2.584 -6.876 1.00 0.00 C ATOM 609 C GLU A 42 -2.810 3.475 -7.111 1.00 0.00 C ATOM 610 O GLU A 42 -2.887 4.452 -7.857 1.00 0.00 O ATOM 611 CB GLU A 42 -4.909 3.200 -5.785 1.00 0.00 C ATOM 612 CG GLU A 42 -5.559 4.512 -6.196 1.00 0.00 C ATOM 613 CD GLU A 42 -6.344 5.152 -5.069 1.00 0.00 C ATOM 614 OE1 GLU A 42 -7.540 4.824 -4.918 1.00 0.00 O ATOM 615 OE2 GLU A 42 -5.764 5.983 -4.338 1.00 0.00 O ATOM 0 H GLU A 42 -3.500 1.064 -5.524 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.580 2.530 -7.817 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.688 2.488 -5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.303 3.368 -4.895 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.788 5.204 -6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.224 4.335 -7.042 1.00 0.00 H new ATOM 622 N HIS A 43 -1.696 3.158 -6.464 1.00 0.00 N ATOM 623 CA HIS A 43 -0.482 3.965 -6.602 1.00 0.00 C ATOM 624 C HIS A 43 0.286 3.636 -7.880 1.00 0.00 C ATOM 625 O HIS A 43 -0.109 2.757 -8.647 1.00 0.00 O ATOM 626 CB HIS A 43 0.390 3.807 -5.361 1.00 0.00 C ATOM 627 CG HIS A 43 0.051 4.817 -4.310 1.00 0.00 C ATOM 628 ND1 HIS A 43 0.608 6.077 -4.270 1.00 0.00 N ATOM 629 CD2 HIS A 43 -0.816 4.759 -3.273 1.00 0.00 C ATOM 630 CE1 HIS A 43 0.100 6.750 -3.254 1.00 0.00 C ATOM 631 NE2 HIS A 43 -0.767 5.972 -2.633 1.00 0.00 N ATOM 0 H HIS A 43 -1.604 2.355 -5.842 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.777 5.011 -6.687 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.265 2.804 -4.954 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.439 3.910 -5.639 1.00 0.00 H new ATOM 0 HD1 HIS A 43 1.305 6.434 -4.924 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -1.432 3.915 -3.000 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.351 7.764 -2.978 1.00 0.00 H new ATOM 640 N PRO A 44 1.383 4.372 -8.139 1.00 0.00 N ATOM 641 CA PRO A 44 2.201 4.195 -9.347 1.00 0.00 C ATOM 642 C PRO A 44 2.656 2.757 -9.563 1.00 0.00 C ATOM 643 O PRO A 44 3.749 2.374 -9.144 1.00 0.00 O ATOM 644 CB PRO A 44 3.401 5.112 -9.097 1.00 0.00 C ATOM 645 CG PRO A 44 2.875 6.162 -8.181 1.00 0.00 C ATOM 646 CD PRO A 44 1.901 5.458 -7.281 1.00 0.00 C ATOM 0 HA PRO A 44 1.638 4.435 -10.249 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.230 4.568 -8.645 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.772 5.544 -10.026 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.680 6.620 -7.606 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.387 6.961 -8.739 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.387 5.069 -6.386 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.105 6.124 -6.948 1.00 0.00 H new ATOM 654 N GLY A 45 1.811 1.971 -10.230 1.00 0.00 N ATOM 655 CA GLY A 45 2.132 0.579 -10.510 1.00 0.00 C ATOM 656 C GLY A 45 2.830 -0.112 -9.356 1.00 0.00 C ATOM 657 O GLY A 45 3.658 -0.998 -9.562 1.00 0.00 O ATOM 0 H GLY A 45 0.904 2.276 -10.583 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.214 0.041 -10.747 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.768 0.529 -11.394 1.00 0.00 H new ATOM 661 N GLY A 46 2.496 0.299 -8.138 1.00 0.00 N ATOM 662 CA GLY A 46 3.108 -0.293 -6.967 1.00 0.00 C ATOM 663 C GLY A 46 4.497 0.252 -6.705 1.00 0.00 C ATOM 664 O GLY A 46 5.481 -0.483 -6.777 1.00 0.00 O ATOM 0 H GLY A 46 1.813 1.031 -7.942 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.478 -0.107 -6.097 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.163 -1.374 -7.096 1.00 0.00 H new ATOM 668 N PHE A 47 4.575 1.546 -6.400 1.00 0.00 N ATOM 669 CA PHE A 47 5.855 2.194 -6.119 1.00 0.00 C ATOM 670 C PHE A 47 6.584 1.484 -4.975 1.00 0.00 C ATOM 671 O PHE A 47 6.981 0.329 -5.125 1.00 0.00 O ATOM 672 CB PHE A 47 5.645 3.676 -5.798 1.00 0.00 C ATOM 673 CG PHE A 47 4.573 3.951 -4.776 1.00 0.00 C ATOM 674 CD1 PHE A 47 3.951 2.925 -4.074 1.00 0.00 C ATOM 675 CD2 PHE A 47 4.188 5.251 -4.525 1.00 0.00 C ATOM 676 CE1 PHE A 47 2.966 3.200 -3.150 1.00 0.00 C ATOM 677 CE2 PHE A 47 3.207 5.532 -3.598 1.00 0.00 C ATOM 678 CZ PHE A 47 2.593 4.507 -2.912 1.00 0.00 C ATOM 0 H PHE A 47 3.767 2.166 -6.341 1.00 0.00 H new ATOM 0 HA PHE A 47 6.480 2.123 -7.009 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.586 4.093 -5.439 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.394 4.202 -6.719 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.243 1.901 -4.255 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.661 6.060 -5.062 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.487 2.394 -2.613 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.920 6.556 -3.409 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.821 4.726 -2.189 1.00 0.00 H new ATOM 688 N GLU A 48 6.777 2.154 -3.831 1.00 0.00 N ATOM 689 CA GLU A 48 7.474 1.507 -2.718 1.00 0.00 C ATOM 690 C GLU A 48 6.770 1.735 -1.384 1.00 0.00 C ATOM 691 O GLU A 48 6.107 2.750 -1.186 1.00 0.00 O ATOM 692 CB GLU A 48 8.917 2.007 -2.635 1.00 0.00 C ATOM 693 CG GLU A 48 9.031 3.505 -2.421 1.00 0.00 C ATOM 694 CD GLU A 48 10.435 4.025 -2.668 1.00 0.00 C ATOM 695 OE1 GLU A 48 10.872 4.020 -3.838 1.00 0.00 O ATOM 696 OE2 GLU A 48 11.097 4.434 -1.691 1.00 0.00 O ATOM 0 H GLU A 48 6.471 3.111 -3.656 1.00 0.00 H new ATOM 0 HA GLU A 48 7.467 0.435 -2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.424 1.492 -1.819 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.439 1.739 -3.554 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.336 4.017 -3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.733 3.746 -1.401 1.00 0.00 H new ATOM 703 N TYR A 49 6.941 0.781 -0.467 1.00 0.00 N ATOM 704 CA TYR A 49 6.349 0.866 0.867 1.00 0.00 C ATOM 705 C TYR A 49 7.325 0.423 1.928 1.00 0.00 C ATOM 706 O TYR A 49 8.415 -0.072 1.643 1.00 0.00 O ATOM 707 CB TYR A 49 5.057 0.050 0.983 1.00 0.00 C ATOM 708 CG TYR A 49 5.239 -1.429 1.265 1.00 0.00 C ATOM 709 CD1 TYR A 49 6.413 -2.094 0.937 1.00 0.00 C ATOM 710 CD2 TYR A 49 4.230 -2.153 1.884 1.00 0.00 C ATOM 711 CE1 TYR A 49 6.572 -3.434 1.217 1.00 0.00 C ATOM 712 CE2 TYR A 49 4.381 -3.489 2.170 1.00 0.00 C ATOM 713 CZ TYR A 49 5.555 -4.129 1.837 1.00 0.00 C ATOM 714 OH TYR A 49 5.715 -5.464 2.130 1.00 0.00 O ATOM 0 H TYR A 49 7.489 -0.064 -0.627 1.00 0.00 H new ATOM 0 HA TYR A 49 6.101 1.916 1.025 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.447 0.480 1.777 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.496 0.158 0.055 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.214 -1.553 0.455 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.307 -1.657 2.146 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.490 -3.938 0.952 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.584 -4.034 2.653 1.00 0.00 H new ATOM 0 HH TYR A 49 5.025 -5.744 2.767 1.00 0.00 H new ATOM 724 N SER A 50 6.896 0.601 3.153 1.00 0.00 N ATOM 725 CA SER A 50 7.682 0.225 4.309 1.00 0.00 C ATOM 726 C SER A 50 6.759 -0.018 5.480 1.00 0.00 C ATOM 727 O SER A 50 6.545 0.860 6.316 1.00 0.00 O ATOM 728 CB SER A 50 8.688 1.309 4.657 1.00 0.00 C ATOM 729 OG SER A 50 9.042 2.070 3.515 1.00 0.00 O ATOM 0 H SER A 50 5.990 1.011 3.380 1.00 0.00 H new ATOM 0 HA SER A 50 8.234 -0.686 4.078 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.268 1.966 5.419 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.582 0.855 5.085 1.00 0.00 H new ATOM 0 HG SER A 50 8.289 2.641 3.256 1.00 0.00 H new ATOM 735 N ASN A 51 6.197 -1.209 5.519 1.00 0.00 N ATOM 736 CA ASN A 51 5.272 -1.566 6.576 1.00 0.00 C ATOM 737 C ASN A 51 5.904 -1.385 7.938 1.00 0.00 C ATOM 738 O ASN A 51 7.029 -1.815 8.193 1.00 0.00 O ATOM 739 CB ASN A 51 4.773 -2.995 6.425 1.00 0.00 C ATOM 740 CG ASN A 51 3.834 -3.162 5.246 1.00 0.00 C ATOM 741 OD1 ASN A 51 3.579 -2.217 4.502 1.00 0.00 O ATOM 742 ND2 ASN A 51 3.312 -4.371 5.074 1.00 0.00 N ATOM 0 H ASN A 51 6.364 -1.945 4.833 1.00 0.00 H new ATOM 0 HA ASN A 51 4.418 -0.894 6.492 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.626 -3.663 6.303 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.260 -3.296 7.339 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.671 -4.544 4.300 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.552 -5.126 5.716 1.00 0.00 H new ATOM 749 N GLY A 52 5.157 -0.738 8.801 1.00 0.00 N ATOM 750 CA GLY A 52 5.619 -0.478 10.152 1.00 0.00 C ATOM 751 C GLY A 52 5.639 1.004 10.480 1.00 0.00 C ATOM 752 O GLY A 52 5.315 1.832 9.631 1.00 0.00 O ATOM 0 H GLY A 52 4.224 -0.380 8.595 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.972 -0.996 10.860 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.621 -0.889 10.276 1.00 0.00 H new ATOM 756 N PRO A 53 6.012 1.370 11.717 1.00 0.00 N ATOM 757 CA PRO A 53 6.063 2.772 12.143 1.00 0.00 C ATOM 758 C PRO A 53 7.234 3.528 11.524 1.00 0.00 C ATOM 759 O PRO A 53 8.384 3.350 11.928 1.00 0.00 O ATOM 760 CB PRO A 53 6.237 2.671 13.659 1.00 0.00 C ATOM 761 CG PRO A 53 6.920 1.365 13.873 1.00 0.00 C ATOM 762 CD PRO A 53 6.405 0.446 12.797 1.00 0.00 C ATOM 0 HA PRO A 53 5.175 3.324 11.834 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.833 3.498 14.046 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.276 2.704 14.171 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.002 1.475 13.807 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.700 0.967 14.864 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.171 -0.255 12.467 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.560 -0.147 13.146 1.00 0.00 H new ATOM 770 N CYS A 54 6.935 4.376 10.545 1.00 0.00 N ATOM 771 CA CYS A 54 7.965 5.165 9.874 1.00 0.00 C ATOM 772 C CYS A 54 7.533 6.623 9.750 1.00 0.00 C ATOM 773 O CYS A 54 8.107 7.507 10.386 1.00 0.00 O ATOM 774 CB CYS A 54 8.281 4.597 8.481 1.00 0.00 C ATOM 775 SG CYS A 54 7.451 3.024 8.080 1.00 0.00 S ATOM 0 H CYS A 54 5.989 4.535 10.198 1.00 0.00 H new ATOM 0 HA CYS A 54 8.867 5.112 10.483 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.002 5.338 7.732 1.00 0.00 H new ATOM 0 HB3 CYS A 54 9.358 4.452 8.401 1.00 0.00 H new ATOM 780 N GLU A 55 6.517 6.866 8.927 1.00 0.00 N ATOM 781 CA GLU A 55 6.009 8.218 8.719 1.00 0.00 C ATOM 782 C GLU A 55 5.521 8.824 10.030 1.00 0.00 C ATOM 783 O GLU A 55 4.440 8.416 10.505 1.00 0.00 O ATOM 784 CB GLU A 55 4.872 8.207 7.692 1.00 0.00 C ATOM 785 CG GLU A 55 4.642 9.551 7.019 1.00 0.00 C ATOM 786 CD GLU A 55 5.916 10.152 6.455 1.00 0.00 C ATOM 787 OE1 GLU A 55 6.486 9.561 5.514 1.00 0.00 O ATOM 788 OE2 GLU A 55 6.342 11.214 6.954 1.00 0.00 O ATOM 789 OXT GLU A 55 6.225 9.702 10.574 1.00 0.00 O ATOM 0 H GLU A 55 6.030 6.145 8.394 1.00 0.00 H new ATOM 0 HA GLU A 55 6.826 8.831 8.339 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.092 7.461 6.928 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.951 7.896 8.186 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.916 9.430 6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.207 10.243 7.740 1.00 0.00 H new