USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 379 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 36 MET CE :methyl -148:sc= -3.28! (180deg=-4.12!) USER MOD Set 1.2: A 51 ASN : amide:sc= -0.14 K(o=-3.4,f=-6.6!) USER MOD Single : A 1 ALA N :NH3+ -118:sc= 0.0961 (180deg=-1.98!) USER MOD Single : A 2 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.014) USER MOD Single : A 3 MET CE :methyl 164:sc= -0.0438 (180deg=-0.37) USER MOD Single : A 6 THR OG1 : rot 135:sc= -2.23 USER MOD Single : A 9 ASN : amide:sc= 0.353 K(o=0.35,f=-1.9!) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 170:sc= 0 (180deg=-0.147) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= -26.6! C(o=-27!,f=-29!) USER MOD Single : A 35 ASN : amide:sc= -5.52 K(o=-5.5,f=-15!) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -9.31! C(o=-11!,f=-9.3!) USER MOD Single : A 49 TYR OH : rot 15:sc= -7.56! USER MOD Single : A 50 SER OG : rot 110:sc= -1.4 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 10.884 -2.730 2.771 1.00 0.00 N ATOM 2 CA ALA A 1 10.116 -3.456 1.724 1.00 0.00 C ATOM 3 C ALA A 1 9.941 -2.601 0.473 1.00 0.00 C ATOM 4 O ALA A 1 10.348 -1.439 0.437 1.00 0.00 O ATOM 5 CB ALA A 1 8.761 -3.892 2.265 1.00 0.00 C ATOM 0 H1 ALA A 1 11.766 -3.243 2.973 1.00 0.00 H new ATOM 0 H2 ALA A 1 11.110 -1.772 2.434 1.00 0.00 H new ATOM 0 H3 ALA A 1 10.314 -2.666 3.638 1.00 0.00 H new ATOM 0 HA ALA A 1 10.685 -4.343 1.446 1.00 0.00 H new ATOM 0 HB1 ALA A 1 8.212 -4.422 1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 1 8.906 -4.552 3.120 1.00 0.00 H new ATOM 0 HB3 ALA A 1 8.194 -3.015 2.576 1.00 0.00 H new ATOM 13 N HIS A 2 9.342 -3.194 -0.552 1.00 0.00 N ATOM 14 CA HIS A 2 9.114 -2.515 -1.816 1.00 0.00 C ATOM 15 C HIS A 2 7.754 -2.888 -2.384 1.00 0.00 C ATOM 16 O HIS A 2 6.812 -3.186 -1.650 1.00 0.00 O ATOM 17 CB HIS A 2 10.250 -2.855 -2.790 1.00 0.00 C ATOM 18 CG HIS A 2 11.248 -1.750 -2.945 1.00 0.00 C ATOM 19 ND1 HIS A 2 12.610 -1.940 -2.827 1.00 0.00 N ATOM 20 CD2 HIS A 2 11.077 -0.434 -3.211 1.00 0.00 C ATOM 21 CE1 HIS A 2 13.231 -0.788 -3.012 1.00 0.00 C ATOM 22 NE2 HIS A 2 12.323 0.140 -3.247 1.00 0.00 N ATOM 0 H HIS A 2 9.003 -4.156 -0.529 1.00 0.00 H new ATOM 0 HA HIS A 2 9.111 -1.437 -1.656 1.00 0.00 H new ATOM 0 HB2 HIS A 2 10.762 -3.752 -2.441 1.00 0.00 H new ATOM 0 HB3 HIS A 2 9.825 -3.090 -3.766 1.00 0.00 H new ATOM 0 HD2 HIS A 2 10.135 0.071 -3.366 1.00 0.00 H new ATOM 0 HE1 HIS A 2 14.299 -0.633 -2.977 1.00 0.00 H new ATOM 0 HE2 HIS A 2 12.516 1.125 -3.427 1.00 0.00 H new ATOM 31 N MET A 3 7.665 -2.829 -3.687 1.00 0.00 N ATOM 32 CA MET A 3 6.430 -3.116 -4.405 1.00 0.00 C ATOM 33 C MET A 3 6.029 -4.590 -4.288 1.00 0.00 C ATOM 34 O MET A 3 6.098 -5.351 -5.253 1.00 0.00 O ATOM 35 CB MET A 3 6.603 -2.735 -5.878 1.00 0.00 C ATOM 36 CG MET A 3 5.379 -3.001 -6.737 1.00 0.00 C ATOM 37 SD MET A 3 5.582 -2.407 -8.428 1.00 0.00 S ATOM 38 CE MET A 3 6.880 -3.491 -9.016 1.00 0.00 C ATOM 0 H MET A 3 8.447 -2.580 -4.293 1.00 0.00 H new ATOM 0 HA MET A 3 5.631 -2.526 -3.956 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.854 -1.676 -5.941 1.00 0.00 H new ATOM 0 HB3 MET A 3 7.448 -3.288 -6.288 1.00 0.00 H new ATOM 0 HG2 MET A 3 5.176 -4.072 -6.753 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.511 -2.519 -6.287 1.00 0.00 H new ATOM 0 HE1 MET A 3 6.923 -3.450 -10.104 1.00 0.00 H new ATOM 0 HE2 MET A 3 7.836 -3.171 -8.602 1.00 0.00 H new ATOM 0 HE3 MET A 3 6.672 -4.513 -8.700 1.00 0.00 H new ATOM 48 N ASP A 4 5.583 -4.963 -3.089 1.00 0.00 N ATOM 49 CA ASP A 4 5.125 -6.320 -2.800 1.00 0.00 C ATOM 50 C ASP A 4 3.731 -6.265 -2.169 1.00 0.00 C ATOM 51 O ASP A 4 3.597 -6.293 -0.945 1.00 0.00 O ATOM 52 CB ASP A 4 6.100 -7.020 -1.849 1.00 0.00 C ATOM 53 CG ASP A 4 7.142 -7.837 -2.586 1.00 0.00 C ATOM 54 OD1 ASP A 4 7.399 -7.542 -3.772 1.00 0.00 O ATOM 55 OD2 ASP A 4 7.700 -8.774 -1.979 1.00 0.00 O ATOM 0 H ASP A 4 5.529 -4.331 -2.290 1.00 0.00 H new ATOM 0 HA ASP A 4 5.081 -6.886 -3.731 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.599 -6.274 -1.231 1.00 0.00 H new ATOM 0 HB3 ASP A 4 5.542 -7.671 -1.176 1.00 0.00 H new ATOM 60 N CYS A 5 2.700 -6.150 -3.006 1.00 0.00 N ATOM 61 CA CYS A 5 1.325 -6.049 -2.517 1.00 0.00 C ATOM 62 C CYS A 5 0.375 -6.978 -3.298 1.00 0.00 C ATOM 63 O CYS A 5 0.733 -8.116 -3.602 1.00 0.00 O ATOM 64 CB CYS A 5 0.885 -4.581 -2.604 1.00 0.00 C ATOM 65 SG CYS A 5 -0.670 -4.171 -1.750 1.00 0.00 S ATOM 0 H CYS A 5 2.790 -6.125 -4.022 1.00 0.00 H new ATOM 0 HA CYS A 5 1.282 -6.378 -1.479 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.679 -3.958 -2.193 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.782 -4.313 -3.656 1.00 0.00 H new ATOM 70 N THR A 6 -0.842 -6.506 -3.598 1.00 0.00 N ATOM 71 CA THR A 6 -1.833 -7.305 -4.307 1.00 0.00 C ATOM 72 C THR A 6 -1.399 -7.655 -5.739 1.00 0.00 C ATOM 73 O THR A 6 -1.876 -8.650 -6.277 1.00 0.00 O ATOM 74 CB THR A 6 -3.157 -6.546 -4.351 1.00 0.00 C ATOM 75 OG1 THR A 6 -4.176 -7.345 -4.922 1.00 0.00 O ATOM 76 CG2 THR A 6 -3.081 -5.257 -5.143 1.00 0.00 C ATOM 0 H THR A 6 -1.159 -5.567 -3.356 1.00 0.00 H new ATOM 0 HA THR A 6 -1.942 -8.243 -3.763 1.00 0.00 H new ATOM 0 HB THR A 6 -3.385 -6.302 -3.313 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.988 -7.278 -4.377 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.055 -4.767 -5.135 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.339 -4.597 -4.694 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.795 -5.478 -6.171 1.00 0.00 H new ATOM 84 N GLU A 7 -0.517 -6.833 -6.364 1.00 0.00 N ATOM 85 CA GLU A 7 -0.061 -7.067 -7.747 1.00 0.00 C ATOM 86 C GLU A 7 -0.289 -8.507 -8.213 1.00 0.00 C ATOM 87 O GLU A 7 0.642 -9.308 -8.292 1.00 0.00 O ATOM 88 CB GLU A 7 1.422 -6.714 -7.875 1.00 0.00 C ATOM 89 CG GLU A 7 2.330 -7.564 -7.002 1.00 0.00 C ATOM 90 CD GLU A 7 3.635 -6.868 -6.667 1.00 0.00 C ATOM 91 OE1 GLU A 7 3.925 -5.821 -7.282 1.00 0.00 O ATOM 92 OE2 GLU A 7 4.369 -7.372 -5.790 1.00 0.00 O ATOM 0 H GLU A 7 -0.112 -6.005 -5.927 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.659 -6.422 -8.390 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.725 -6.826 -8.916 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.560 -5.665 -7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.809 -7.815 -6.078 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.544 -8.503 -7.513 1.00 0.00 H new ATOM 99 N PHE A 8 -1.546 -8.816 -8.518 1.00 0.00 N ATOM 100 CA PHE A 8 -1.939 -10.143 -8.977 1.00 0.00 C ATOM 101 C PHE A 8 -3.294 -10.063 -9.687 1.00 0.00 C ATOM 102 O PHE A 8 -3.650 -9.014 -10.223 1.00 0.00 O ATOM 103 CB PHE A 8 -1.995 -11.114 -7.791 1.00 0.00 C ATOM 104 CG PHE A 8 -0.641 -11.495 -7.265 1.00 0.00 C ATOM 105 CD1 PHE A 8 0.212 -12.283 -8.022 1.00 0.00 C ATOM 106 CD2 PHE A 8 -0.220 -11.067 -6.016 1.00 0.00 C ATOM 107 CE1 PHE A 8 1.458 -12.637 -7.544 1.00 0.00 C ATOM 108 CE2 PHE A 8 1.025 -11.418 -5.532 1.00 0.00 C ATOM 109 CZ PHE A 8 1.866 -12.205 -6.297 1.00 0.00 C ATOM 0 H PHE A 8 -2.319 -8.154 -8.454 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.200 -10.517 -9.686 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.574 -10.660 -6.987 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.525 -12.017 -8.095 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.102 -12.624 -8.997 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.873 -10.452 -5.414 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.113 -13.251 -8.144 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.341 -11.078 -4.557 1.00 0.00 H new ATOM 0 HZ PHE A 8 2.840 -12.481 -5.920 1.00 0.00 H new ATOM 119 N ASN A 9 -4.053 -11.158 -9.686 1.00 0.00 N ATOM 120 CA ASN A 9 -5.364 -11.167 -10.329 1.00 0.00 C ATOM 121 C ASN A 9 -6.355 -10.308 -9.543 1.00 0.00 C ATOM 122 O ASN A 9 -7.033 -9.452 -10.113 1.00 0.00 O ATOM 123 CB ASN A 9 -5.901 -12.597 -10.463 1.00 0.00 C ATOM 124 CG ASN A 9 -4.803 -13.617 -10.706 1.00 0.00 C ATOM 125 OD1 ASN A 9 -4.062 -13.976 -9.792 1.00 0.00 O ATOM 126 ND2 ASN A 9 -4.696 -14.089 -11.943 1.00 0.00 N ATOM 0 H ASN A 9 -3.786 -12.041 -9.252 1.00 0.00 H new ATOM 0 HA ASN A 9 -5.248 -10.747 -11.328 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.444 -12.863 -9.556 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.616 -12.636 -11.285 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -3.977 -14.778 -12.166 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -5.333 -13.763 -12.670 1.00 0.00 H new ATOM 133 N PRO A 10 -6.453 -10.521 -8.215 1.00 0.00 N ATOM 134 CA PRO A 10 -7.357 -9.768 -7.355 1.00 0.00 C ATOM 135 C PRO A 10 -6.680 -8.547 -6.738 1.00 0.00 C ATOM 136 O PRO A 10 -6.146 -8.620 -5.632 1.00 0.00 O ATOM 137 CB PRO A 10 -7.691 -10.793 -6.278 1.00 0.00 C ATOM 138 CG PRO A 10 -6.437 -11.593 -6.120 1.00 0.00 C ATOM 139 CD PRO A 10 -5.692 -11.517 -7.437 1.00 0.00 C ATOM 0 HA PRO A 10 -8.221 -9.370 -7.888 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.973 -10.309 -5.343 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.529 -11.423 -6.576 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.827 -11.196 -5.309 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.669 -12.628 -5.868 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -4.657 -11.207 -7.294 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.668 -12.484 -7.940 1.00 0.00 H new ATOM 147 N LEU A 11 -6.695 -7.432 -7.461 1.00 0.00 N ATOM 148 CA LEU A 11 -6.067 -6.204 -6.980 1.00 0.00 C ATOM 149 C LEU A 11 -6.747 -5.682 -5.729 1.00 0.00 C ATOM 150 O LEU A 11 -7.742 -6.244 -5.288 1.00 0.00 O ATOM 151 CB LEU A 11 -6.067 -5.134 -8.076 1.00 0.00 C ATOM 152 CG LEU A 11 -4.691 -4.792 -8.649 1.00 0.00 C ATOM 153 CD1 LEU A 11 -3.974 -6.054 -9.105 1.00 0.00 C ATOM 154 CD2 LEU A 11 -4.824 -3.807 -9.801 1.00 0.00 C ATOM 0 H LEU A 11 -7.133 -7.352 -8.379 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.035 -6.441 -6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.709 -5.470 -8.890 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.512 -4.224 -7.674 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.097 -4.325 -7.864 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.997 -5.791 -9.510 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.846 -6.727 -8.257 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.564 -6.550 -9.876 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.835 -3.575 -10.197 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.436 -4.248 -10.588 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.296 -2.892 -9.444 1.00 0.00 H new ATOM 166 N CYS A 12 -6.168 -4.613 -5.164 1.00 0.00 N ATOM 167 CA CYS A 12 -6.651 -3.986 -3.938 1.00 0.00 C ATOM 168 C CYS A 12 -8.087 -4.354 -3.622 1.00 0.00 C ATOM 169 O CYS A 12 -8.990 -3.517 -3.634 1.00 0.00 O ATOM 170 CB CYS A 12 -6.500 -2.473 -4.022 1.00 0.00 C ATOM 171 SG CYS A 12 -7.525 -1.676 -5.303 1.00 0.00 S ATOM 0 H CYS A 12 -5.342 -4.159 -5.554 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.037 -4.367 -3.122 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.753 -2.042 -3.053 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.453 -2.236 -4.213 1.00 0.00 H new ATOM 176 N ARG A 13 -8.266 -5.622 -3.311 1.00 0.00 N ATOM 177 CA ARG A 13 -9.578 -6.147 -2.947 1.00 0.00 C ATOM 178 C ARG A 13 -9.720 -6.116 -1.435 1.00 0.00 C ATOM 179 O ARG A 13 -10.265 -7.034 -0.823 1.00 0.00 O ATOM 180 CB ARG A 13 -9.775 -7.576 -3.474 1.00 0.00 C ATOM 181 CG ARG A 13 -8.521 -8.441 -3.442 1.00 0.00 C ATOM 182 CD ARG A 13 -7.915 -8.507 -2.049 1.00 0.00 C ATOM 183 NE ARG A 13 -7.231 -9.775 -1.808 1.00 0.00 N ATOM 184 CZ ARG A 13 -6.877 -10.209 -0.600 1.00 0.00 C ATOM 185 NH1 ARG A 13 -7.141 -9.482 0.479 1.00 0.00 N ATOM 186 NH2 ARG A 13 -6.258 -11.374 -0.470 1.00 0.00 N ATOM 0 H ARG A 13 -7.518 -6.316 -3.302 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.346 -5.523 -3.404 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.552 -8.063 -2.885 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.139 -7.524 -4.500 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.766 -9.448 -3.780 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.785 -8.041 -4.140 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.210 -7.685 -1.921 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.700 -8.372 -1.305 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.012 -10.363 -2.612 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.618 -8.585 0.386 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.867 -9.820 1.401 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.053 -11.938 -1.295 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.987 -11.707 0.455 1.00 0.00 H new ATOM 200 N CYS A 14 -9.192 -5.052 -0.842 1.00 0.00 N ATOM 201 CA CYS A 14 -9.209 -4.885 0.597 1.00 0.00 C ATOM 202 C CYS A 14 -9.548 -3.442 0.977 1.00 0.00 C ATOM 203 O CYS A 14 -8.750 -2.530 0.761 1.00 0.00 O ATOM 204 CB CYS A 14 -7.842 -5.277 1.172 1.00 0.00 C ATOM 205 SG CYS A 14 -6.672 -5.982 -0.039 1.00 0.00 S ATOM 0 H CYS A 14 -8.743 -4.287 -1.346 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.980 -5.532 1.016 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.388 -4.395 1.623 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.995 -6.002 1.972 1.00 0.00 H new ATOM 210 N ASN A 15 -10.735 -3.247 1.545 1.00 0.00 N ATOM 211 CA ASN A 15 -11.183 -1.917 1.957 1.00 0.00 C ATOM 212 C ASN A 15 -10.817 -1.650 3.401 1.00 0.00 C ATOM 213 O ASN A 15 -10.328 -0.573 3.724 1.00 0.00 O ATOM 214 CB ASN A 15 -12.696 -1.786 1.788 1.00 0.00 C ATOM 215 CG ASN A 15 -13.078 -0.685 0.819 1.00 0.00 C ATOM 216 OD1 ASN A 15 -13.618 -0.947 -0.255 1.00 0.00 O ATOM 217 ND2 ASN A 15 -12.795 0.557 1.193 1.00 0.00 N ATOM 0 H ASN A 15 -11.405 -3.993 1.731 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.683 -1.185 1.322 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -13.102 -2.734 1.435 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.151 -1.586 2.758 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.026 1.339 0.581 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.347 0.729 2.093 1.00 0.00 H new ATOM 224 N LYS A 16 -11.083 -2.643 4.252 1.00 0.00 N ATOM 225 CA LYS A 16 -10.822 -2.572 5.693 1.00 0.00 C ATOM 226 C LYS A 16 -9.817 -1.487 6.055 1.00 0.00 C ATOM 227 O LYS A 16 -8.741 -1.764 6.585 1.00 0.00 O ATOM 228 CB LYS A 16 -10.337 -3.930 6.210 1.00 0.00 C ATOM 229 CG LYS A 16 -8.954 -4.319 5.711 1.00 0.00 C ATOM 230 CD LYS A 16 -8.020 -4.667 6.859 1.00 0.00 C ATOM 231 CE LYS A 16 -8.555 -5.829 7.684 1.00 0.00 C ATOM 232 NZ LYS A 16 -7.989 -5.840 9.062 1.00 0.00 N ATOM 0 H LYS A 16 -11.491 -3.530 3.957 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.764 -2.310 6.174 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.328 -3.911 7.300 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.050 -4.698 5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.037 -5.172 5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.531 -3.497 5.134 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.037 -4.923 6.464 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.889 -3.795 7.500 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.642 -5.765 7.739 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.315 -6.768 7.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.378 -6.646 9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.954 -5.927 9.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.239 -4.955 9.547 1.00 0.00 H new ATOM 246 N MET A 17 -10.190 -0.253 5.743 1.00 0.00 N ATOM 247 CA MET A 17 -9.353 0.926 6.008 1.00 0.00 C ATOM 248 C MET A 17 -9.105 1.131 7.496 1.00 0.00 C ATOM 249 O MET A 17 -9.359 2.202 8.051 1.00 0.00 O ATOM 250 CB MET A 17 -10.028 2.157 5.448 1.00 0.00 C ATOM 251 CG MET A 17 -9.212 3.433 5.593 1.00 0.00 C ATOM 252 SD MET A 17 -9.535 4.619 4.274 1.00 0.00 S ATOM 253 CE MET A 17 -11.307 4.833 4.431 1.00 0.00 C ATOM 0 H MET A 17 -11.081 -0.033 5.298 1.00 0.00 H new ATOM 0 HA MET A 17 -8.390 0.760 5.526 1.00 0.00 H new ATOM 0 HB2 MET A 17 -10.241 1.993 4.392 1.00 0.00 H new ATOM 0 HB3 MET A 17 -10.986 2.292 5.949 1.00 0.00 H new ATOM 0 HG2 MET A 17 -9.436 3.895 6.554 1.00 0.00 H new ATOM 0 HG3 MET A 17 -8.151 3.182 5.599 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.630 5.665 3.806 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.813 3.922 4.112 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.558 5.042 5.471 1.00 0.00 H new ATOM 263 N LEU A 18 -8.605 0.098 8.116 1.00 0.00 N ATOM 264 CA LEU A 18 -8.296 0.108 9.538 1.00 0.00 C ATOM 265 C LEU A 18 -7.522 -1.148 9.932 1.00 0.00 C ATOM 266 O LEU A 18 -8.024 -1.987 10.681 1.00 0.00 O ATOM 267 CB LEU A 18 -9.587 0.211 10.350 1.00 0.00 C ATOM 268 CG LEU A 18 -10.527 -0.995 10.229 1.00 0.00 C ATOM 269 CD1 LEU A 18 -10.608 -1.746 11.550 1.00 0.00 C ATOM 270 CD2 LEU A 18 -11.912 -0.552 9.781 1.00 0.00 C ATOM 0 H LEU A 18 -8.395 -0.787 7.654 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.670 0.975 9.752 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.328 0.347 11.400 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.125 1.105 10.036 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.122 -1.670 9.475 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.280 -2.598 11.444 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.615 -2.099 11.829 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.987 -1.080 12.325 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.564 -1.422 9.701 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.325 0.145 10.510 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.841 -0.062 8.810 1.00 0.00 H new ATOM 282 N GLY A 19 -6.301 -1.285 9.418 1.00 0.00 N ATOM 283 CA GLY A 19 -5.504 -2.457 9.731 1.00 0.00 C ATOM 284 C GLY A 19 -4.005 -2.208 9.682 1.00 0.00 C ATOM 285 O GLY A 19 -3.470 -1.427 10.471 1.00 0.00 O ATOM 0 H GLY A 19 -5.854 -0.611 8.796 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.772 -2.812 10.726 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.754 -3.253 9.030 1.00 0.00 H new ATOM 289 N ASP A 20 -3.329 -2.897 8.765 1.00 0.00 N ATOM 290 CA ASP A 20 -1.881 -2.785 8.610 1.00 0.00 C ATOM 291 C ASP A 20 -1.415 -1.336 8.536 1.00 0.00 C ATOM 292 O ASP A 20 -2.212 -0.401 8.603 1.00 0.00 O ATOM 293 CB ASP A 20 -1.427 -3.532 7.357 1.00 0.00 C ATOM 294 CG ASP A 20 -2.050 -4.910 7.238 1.00 0.00 C ATOM 295 OD1 ASP A 20 -2.030 -5.659 8.239 1.00 0.00 O ATOM 296 OD2 ASP A 20 -2.558 -5.240 6.146 1.00 0.00 O ATOM 0 H ASP A 20 -3.768 -3.546 8.111 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.430 -3.232 9.496 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.684 -2.944 6.476 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.341 -3.629 7.370 1.00 0.00 H new ATOM 301 N LEU A 21 -0.104 -1.176 8.395 1.00 0.00 N ATOM 302 CA LEU A 21 0.517 0.142 8.305 1.00 0.00 C ATOM 303 C LEU A 21 1.736 0.096 7.387 1.00 0.00 C ATOM 304 O LEU A 21 2.823 -0.312 7.796 1.00 0.00 O ATOM 305 CB LEU A 21 0.927 0.631 9.696 1.00 0.00 C ATOM 306 CG LEU A 21 1.756 1.917 9.713 1.00 0.00 C ATOM 307 CD1 LEU A 21 1.052 3.013 8.927 1.00 0.00 C ATOM 308 CD2 LEU A 21 2.014 2.366 11.144 1.00 0.00 C ATOM 0 H LEU A 21 0.556 -1.952 8.340 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.210 0.838 7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.026 0.790 10.289 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.497 -0.157 10.188 1.00 0.00 H new ATOM 0 HG LEU A 21 2.716 1.716 9.238 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.655 3.921 8.949 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.918 2.691 7.894 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.078 3.213 9.374 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.605 3.282 11.137 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.063 2.551 11.644 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.559 1.587 11.677 1.00 0.00 H new ATOM 320 N ILE A 22 1.537 0.510 6.142 1.00 0.00 N ATOM 321 CA ILE A 22 2.605 0.515 5.147 1.00 0.00 C ATOM 322 C ILE A 22 3.290 1.878 5.084 1.00 0.00 C ATOM 323 O ILE A 22 2.700 2.898 5.441 1.00 0.00 O ATOM 324 CB ILE A 22 2.050 0.138 3.754 1.00 0.00 C ATOM 325 CG1 ILE A 22 3.036 0.470 2.646 1.00 0.00 C ATOM 326 CG2 ILE A 22 0.725 0.833 3.494 1.00 0.00 C ATOM 327 CD1 ILE A 22 2.872 1.863 2.082 1.00 0.00 C ATOM 0 H ILE A 22 0.640 0.849 5.794 1.00 0.00 H new ATOM 0 HA ILE A 22 3.344 -0.228 5.447 1.00 0.00 H new ATOM 0 HB ILE A 22 1.892 -0.940 3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.050 0.360 3.030 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.920 -0.254 1.840 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.354 0.552 2.508 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.002 0.533 4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.867 1.913 3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.610 2.027 1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.870 1.972 1.667 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.018 2.596 2.875 1.00 0.00 H new ATOM 339 N CYS A 23 4.537 1.888 4.617 1.00 0.00 N ATOM 340 CA CYS A 23 5.296 3.133 4.499 1.00 0.00 C ATOM 341 C CYS A 23 5.592 3.418 3.032 1.00 0.00 C ATOM 342 O CYS A 23 6.633 3.019 2.513 1.00 0.00 O ATOM 343 CB CYS A 23 6.602 3.046 5.294 1.00 0.00 C ATOM 344 SG CYS A 23 6.494 2.040 6.812 1.00 0.00 S ATOM 0 H CYS A 23 5.041 1.054 4.316 1.00 0.00 H new ATOM 0 HA CYS A 23 4.699 3.947 4.909 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.378 2.630 4.651 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.918 4.054 5.562 1.00 0.00 H new ATOM 349 N ALA A 24 4.651 4.073 2.357 1.00 0.00 N ATOM 350 CA ALA A 24 4.802 4.362 0.935 1.00 0.00 C ATOM 351 C ALA A 24 5.565 5.642 0.656 1.00 0.00 C ATOM 352 O ALA A 24 5.266 6.700 1.207 1.00 0.00 O ATOM 353 CB ALA A 24 3.446 4.425 0.257 1.00 0.00 C ATOM 0 H ALA A 24 3.781 4.412 2.769 1.00 0.00 H new ATOM 0 HA ALA A 24 5.391 3.542 0.525 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.579 4.642 -0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.937 3.468 0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.846 5.211 0.715 1.00 0.00 H new ATOM 359 N VAL A 25 6.534 5.535 -0.241 1.00 0.00 N ATOM 360 CA VAL A 25 7.335 6.671 -0.652 1.00 0.00 C ATOM 361 C VAL A 25 7.349 6.774 -2.170 1.00 0.00 C ATOM 362 O VAL A 25 7.243 5.763 -2.877 1.00 0.00 O ATOM 363 CB VAL A 25 8.777 6.582 -0.110 1.00 0.00 C ATOM 364 CG1 VAL A 25 9.584 5.510 -0.832 1.00 0.00 C ATOM 365 CG2 VAL A 25 9.465 7.935 -0.208 1.00 0.00 C ATOM 0 H VAL A 25 6.784 4.660 -0.701 1.00 0.00 H new ATOM 0 HA VAL A 25 6.881 7.568 -0.231 1.00 0.00 H new ATOM 0 HB VAL A 25 8.721 6.294 0.940 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.594 5.477 -0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.105 4.540 -0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.631 5.744 -1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.481 7.855 0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.497 8.252 -1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.911 8.668 0.378 1.00 0.00 H new ATOM 375 N ILE A 26 7.458 8.001 -2.661 1.00 0.00 N ATOM 376 CA ILE A 26 7.476 8.247 -4.099 1.00 0.00 C ATOM 377 C ILE A 26 8.363 9.436 -4.453 1.00 0.00 C ATOM 378 O ILE A 26 7.890 10.567 -4.564 1.00 0.00 O ATOM 379 CB ILE A 26 6.065 8.495 -4.675 1.00 0.00 C ATOM 380 CG1 ILE A 26 5.053 8.820 -3.563 1.00 0.00 C ATOM 381 CG2 ILE A 26 5.613 7.302 -5.506 1.00 0.00 C ATOM 382 CD1 ILE A 26 4.610 7.622 -2.747 1.00 0.00 C ATOM 0 H ILE A 26 7.535 8.841 -2.087 1.00 0.00 H new ATOM 0 HA ILE A 26 7.881 7.339 -4.546 1.00 0.00 H new ATOM 0 HB ILE A 26 6.114 9.366 -5.329 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.494 9.558 -2.892 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.174 9.283 -4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.617 7.493 -5.905 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.310 7.147 -6.330 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.588 6.410 -4.879 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.898 7.943 -1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.137 6.890 -3.402 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.477 7.170 -2.264 1.00 0.00 H new ATOM 394 N GLY A 27 9.647 9.164 -4.630 1.00 0.00 N ATOM 395 CA GLY A 27 10.605 10.200 -4.977 1.00 0.00 C ATOM 396 C GLY A 27 10.851 11.158 -3.836 1.00 0.00 C ATOM 397 O GLY A 27 11.981 11.321 -3.376 1.00 0.00 O ATOM 0 H GLY A 27 10.050 8.231 -4.538 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.547 9.737 -5.270 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.240 10.754 -5.842 1.00 0.00 H new ATOM 401 N ASP A 28 9.782 11.786 -3.379 1.00 0.00 N ATOM 402 CA ASP A 28 9.855 12.733 -2.280 1.00 0.00 C ATOM 403 C ASP A 28 8.515 12.812 -1.558 1.00 0.00 C ATOM 404 O ASP A 28 8.201 13.822 -0.927 1.00 0.00 O ATOM 405 CB ASP A 28 10.256 14.116 -2.792 1.00 0.00 C ATOM 406 CG ASP A 28 9.334 14.616 -3.887 1.00 0.00 C ATOM 407 OD1 ASP A 28 8.150 14.218 -3.894 1.00 0.00 O ATOM 408 OD2 ASP A 28 9.796 15.405 -4.738 1.00 0.00 O ATOM 0 H ASP A 28 8.844 11.655 -3.757 1.00 0.00 H new ATOM 0 HA ASP A 28 10.613 12.387 -1.578 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.248 14.824 -1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.278 14.079 -3.170 1.00 0.00 H new ATOM 413 N ALA A 29 7.728 11.742 -1.652 1.00 0.00 N ATOM 414 CA ALA A 29 6.426 11.705 -1.001 1.00 0.00 C ATOM 415 C ALA A 29 6.286 10.449 -0.153 1.00 0.00 C ATOM 416 O ALA A 29 5.719 9.449 -0.593 1.00 0.00 O ATOM 417 CB ALA A 29 5.312 11.784 -2.036 1.00 0.00 C ATOM 0 H ALA A 29 7.969 10.897 -2.169 1.00 0.00 H new ATOM 0 HA ALA A 29 6.344 12.570 -0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.345 11.755 -1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.402 12.714 -2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.390 10.939 -2.720 1.00 0.00 H new ATOM 423 N LYS A 30 6.814 10.507 1.064 1.00 0.00 N ATOM 424 CA LYS A 30 6.756 9.374 1.975 1.00 0.00 C ATOM 425 C LYS A 30 5.599 9.523 2.959 1.00 0.00 C ATOM 426 O LYS A 30 5.681 10.290 3.919 1.00 0.00 O ATOM 427 CB LYS A 30 8.077 9.237 2.734 1.00 0.00 C ATOM 428 CG LYS A 30 8.103 8.074 3.712 1.00 0.00 C ATOM 429 CD LYS A 30 9.328 8.132 4.613 1.00 0.00 C ATOM 430 CE LYS A 30 9.773 6.744 5.040 1.00 0.00 C ATOM 431 NZ LYS A 30 9.317 6.412 6.418 1.00 0.00 N ATOM 0 H LYS A 30 7.287 11.328 1.441 1.00 0.00 H new ATOM 0 HA LYS A 30 6.590 8.473 1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.887 9.114 2.015 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.271 10.162 3.278 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.200 8.090 4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.099 7.133 3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.143 8.631 4.089 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.103 8.731 5.496 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.380 6.006 4.340 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.860 6.681 4.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.642 5.457 6.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.712 7.101 7.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.278 6.446 6.458 1.00 0.00 H new ATOM 445 N GLU A 31 4.524 8.780 2.716 1.00 0.00 N ATOM 446 CA GLU A 31 3.350 8.822 3.579 1.00 0.00 C ATOM 447 C GLU A 31 2.869 7.410 3.899 1.00 0.00 C ATOM 448 O GLU A 31 2.874 6.533 3.036 1.00 0.00 O ATOM 449 CB GLU A 31 2.227 9.615 2.909 1.00 0.00 C ATOM 450 CG GLU A 31 1.407 10.449 3.879 1.00 0.00 C ATOM 451 CD GLU A 31 0.751 9.610 4.958 1.00 0.00 C ATOM 452 OE1 GLU A 31 1.385 9.399 6.013 1.00 0.00 O ATOM 453 OE2 GLU A 31 -0.397 9.165 4.748 1.00 0.00 O ATOM 0 H GLU A 31 4.442 8.140 1.926 1.00 0.00 H new ATOM 0 HA GLU A 31 3.627 9.317 4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.658 10.272 2.153 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.565 8.922 2.389 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.051 11.195 4.345 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.639 10.991 3.327 1.00 0.00 H new ATOM 460 N GLU A 32 2.459 7.196 5.145 1.00 0.00 N ATOM 461 CA GLU A 32 1.980 5.886 5.571 1.00 0.00 C ATOM 462 C GLU A 32 0.472 5.777 5.419 1.00 0.00 C ATOM 463 O GLU A 32 -0.242 6.780 5.444 1.00 0.00 O ATOM 464 CB GLU A 32 2.357 5.618 7.027 1.00 0.00 C ATOM 465 CG GLU A 32 3.850 5.447 7.256 1.00 0.00 C ATOM 466 CD GLU A 32 4.656 6.653 6.812 1.00 0.00 C ATOM 467 OE1 GLU A 32 4.966 6.747 5.606 1.00 0.00 O ATOM 468 OE2 GLU A 32 4.978 7.501 7.669 1.00 0.00 O ATOM 0 H GLU A 32 2.449 7.909 5.874 1.00 0.00 H new ATOM 0 HA GLU A 32 2.456 5.143 4.931 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.997 6.442 7.643 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.842 4.719 7.366 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.032 5.265 8.315 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.197 4.566 6.717 1.00 0.00 H new ATOM 475 N HIS A 33 -0.007 4.550 5.271 1.00 0.00 N ATOM 476 CA HIS A 33 -1.432 4.302 5.126 1.00 0.00 C ATOM 477 C HIS A 33 -1.764 2.854 5.460 1.00 0.00 C ATOM 478 O HIS A 33 -0.947 1.957 5.260 1.00 0.00 O ATOM 479 CB HIS A 33 -1.878 4.622 3.705 1.00 0.00 C ATOM 480 CG HIS A 33 -1.018 3.986 2.665 1.00 0.00 C ATOM 481 ND1 HIS A 33 -1.427 2.916 1.902 1.00 0.00 N ATOM 482 CD2 HIS A 33 0.242 4.272 2.268 1.00 0.00 C ATOM 483 CE1 HIS A 33 -0.454 2.570 1.081 1.00 0.00 C ATOM 484 NE2 HIS A 33 0.569 3.376 1.282 1.00 0.00 N ATOM 0 H HIS A 33 0.572 3.711 5.248 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.965 4.949 5.823 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -2.907 4.290 3.570 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.871 5.703 3.563 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -2.339 2.462 1.962 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.873 5.059 2.655 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.490 1.762 0.365 1.00 0.00 H new ATOM 493 N ARG A 34 -2.961 2.635 5.977 1.00 0.00 N ATOM 494 CA ARG A 34 -3.399 1.294 6.347 1.00 0.00 C ATOM 495 C ARG A 34 -3.925 0.522 5.137 1.00 0.00 C ATOM 496 O ARG A 34 -3.812 -0.703 5.080 1.00 0.00 O ATOM 497 CB ARG A 34 -4.478 1.366 7.430 1.00 0.00 C ATOM 498 CG ARG A 34 -4.238 2.458 8.462 1.00 0.00 C ATOM 499 CD ARG A 34 -2.873 2.315 9.118 1.00 0.00 C ATOM 500 NE ARG A 34 -2.932 1.500 10.328 1.00 0.00 N ATOM 501 CZ ARG A 34 -3.571 1.864 11.436 1.00 0.00 C ATOM 502 NH1 ARG A 34 -4.205 3.029 11.493 1.00 0.00 N ATOM 503 NH2 ARG A 34 -3.578 1.062 12.492 1.00 0.00 N ATOM 0 H ARG A 34 -3.650 3.367 6.151 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.533 0.760 6.738 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.445 1.533 6.956 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.534 0.404 7.939 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.312 3.435 7.984 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.016 2.416 9.225 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.176 1.865 8.411 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.484 3.303 9.364 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.455 0.598 10.323 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.204 3.650 10.684 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.693 3.303 12.346 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.093 0.165 12.455 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.068 1.342 13.342 1.00 0.00 H new ATOM 517 N ASN A 35 -4.507 1.236 4.177 1.00 0.00 N ATOM 518 CA ASN A 35 -5.052 0.598 2.981 1.00 0.00 C ATOM 519 C ASN A 35 -3.977 0.397 1.918 1.00 0.00 C ATOM 520 O ASN A 35 -4.103 0.882 0.791 1.00 0.00 O ATOM 521 CB ASN A 35 -6.197 1.430 2.400 1.00 0.00 C ATOM 522 CG ASN A 35 -7.514 1.193 3.111 1.00 0.00 C ATOM 523 OD1 ASN A 35 -8.231 2.138 3.432 1.00 0.00 O ATOM 524 ND2 ASN A 35 -7.846 -0.072 3.354 1.00 0.00 N ATOM 0 H ASN A 35 -4.613 2.250 4.203 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.432 -0.380 3.278 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.940 2.487 2.463 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.312 1.193 1.342 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.725 -0.287 3.824 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.221 -0.827 3.070 1.00 0.00 H new ATOM 531 N MET A 36 -2.925 -0.329 2.272 1.00 0.00 N ATOM 532 CA MET A 36 -1.839 -0.595 1.337 1.00 0.00 C ATOM 533 C MET A 36 -2.368 -1.216 0.055 1.00 0.00 C ATOM 534 O MET A 36 -1.741 -1.112 -0.998 1.00 0.00 O ATOM 535 CB MET A 36 -0.799 -1.523 1.971 1.00 0.00 C ATOM 536 CG MET A 36 0.501 -1.608 1.187 1.00 0.00 C ATOM 537 SD MET A 36 1.618 -2.870 1.830 1.00 0.00 S ATOM 538 CE MET A 36 1.089 -4.302 0.891 1.00 0.00 C ATOM 0 H MET A 36 -2.800 -0.743 3.196 1.00 0.00 H new ATOM 0 HA MET A 36 -1.366 0.356 1.095 1.00 0.00 H new ATOM 0 HB2 MET A 36 -0.582 -1.175 2.981 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.224 -2.522 2.062 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.277 -1.824 0.142 1.00 0.00 H new ATOM 0 HG3 MET A 36 1.000 -0.639 1.212 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.219 -5.201 1.494 1.00 0.00 H new ATOM 0 HE2 MET A 36 0.038 -4.194 0.624 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.688 -4.384 -0.016 1.00 0.00 H new ATOM 548 N CYS A 37 -3.522 -1.859 0.149 1.00 0.00 N ATOM 549 CA CYS A 37 -4.131 -2.498 -1.004 1.00 0.00 C ATOM 550 C CYS A 37 -4.515 -1.475 -2.062 1.00 0.00 C ATOM 551 O CYS A 37 -3.944 -1.444 -3.150 1.00 0.00 O ATOM 552 CB CYS A 37 -5.364 -3.295 -0.574 1.00 0.00 C ATOM 553 SG CYS A 37 -4.981 -4.889 0.221 1.00 0.00 S ATOM 0 H CYS A 37 -4.055 -1.951 1.014 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.398 -3.177 -1.439 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.952 -2.690 0.116 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.988 -3.478 -1.449 1.00 0.00 H new ATOM 558 N ALA A 38 -5.489 -0.644 -1.738 1.00 0.00 N ATOM 559 CA ALA A 38 -5.962 0.375 -2.666 1.00 0.00 C ATOM 560 C ALA A 38 -4.832 1.265 -3.160 1.00 0.00 C ATOM 561 O ALA A 38 -4.958 1.915 -4.198 1.00 0.00 O ATOM 562 CB ALA A 38 -7.056 1.212 -2.021 1.00 0.00 C ATOM 0 H ALA A 38 -5.970 -0.652 -0.839 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.373 -0.140 -3.535 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.399 1.969 -2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.891 0.568 -1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.663 1.699 -1.129 1.00 0.00 H new ATOM 568 N LEU A 39 -3.731 1.302 -2.422 1.00 0.00 N ATOM 569 CA LEU A 39 -2.602 2.125 -2.814 1.00 0.00 C ATOM 570 C LEU A 39 -1.700 1.392 -3.789 1.00 0.00 C ATOM 571 O LEU A 39 -1.160 1.994 -4.716 1.00 0.00 O ATOM 572 CB LEU A 39 -1.806 2.532 -1.586 1.00 0.00 C ATOM 573 CG LEU A 39 -1.713 4.046 -1.348 1.00 0.00 C ATOM 574 CD1 LEU A 39 -2.594 4.462 -0.178 1.00 0.00 C ATOM 575 CD2 LEU A 39 -0.266 4.467 -1.114 1.00 0.00 C ATOM 0 H LEU A 39 -3.598 0.777 -1.558 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.989 3.015 -3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.257 2.068 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.797 2.130 -1.676 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.074 4.555 -2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.513 5.538 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.631 4.202 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.270 3.943 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.223 5.543 -0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.127 3.948 -0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.333 4.211 -1.988 1.00 0.00 H new ATOM 587 N CYS A 40 -1.529 0.094 -3.580 1.00 0.00 N ATOM 588 CA CYS A 40 -0.676 -0.689 -4.456 1.00 0.00 C ATOM 589 C CYS A 40 -1.371 -0.971 -5.778 1.00 0.00 C ATOM 590 O CYS A 40 -0.715 -1.160 -6.803 1.00 0.00 O ATOM 591 CB CYS A 40 -0.243 -1.993 -3.785 1.00 0.00 C ATOM 592 SG CYS A 40 -1.603 -3.002 -3.121 1.00 0.00 S ATOM 0 H CYS A 40 -1.964 -0.431 -2.822 1.00 0.00 H new ATOM 0 HA CYS A 40 0.220 -0.102 -4.659 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.313 -2.590 -4.508 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.444 -1.756 -2.973 1.00 0.00 H new ATOM 597 N CYS A 41 -2.699 -0.990 -5.761 1.00 0.00 N ATOM 598 CA CYS A 41 -3.455 -1.241 -6.976 1.00 0.00 C ATOM 599 C CYS A 41 -3.611 0.039 -7.790 1.00 0.00 C ATOM 600 O CYS A 41 -3.560 0.020 -9.020 1.00 0.00 O ATOM 601 CB CYS A 41 -4.814 -1.836 -6.618 1.00 0.00 C ATOM 602 SG CYS A 41 -6.177 -0.641 -6.413 1.00 0.00 S ATOM 0 H CYS A 41 -3.267 -0.836 -4.928 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.912 -1.956 -7.593 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.094 -2.547 -7.395 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -4.709 -2.401 -5.692 1.00 0.00 H new ATOM 607 N GLU A 42 -3.802 1.144 -7.087 1.00 0.00 N ATOM 608 CA GLU A 42 -3.968 2.447 -7.732 1.00 0.00 C ATOM 609 C GLU A 42 -2.629 3.009 -8.213 1.00 0.00 C ATOM 610 O GLU A 42 -2.563 3.699 -9.231 1.00 0.00 O ATOM 611 CB GLU A 42 -4.626 3.434 -6.765 1.00 0.00 C ATOM 612 CG GLU A 42 -4.881 4.804 -7.373 1.00 0.00 C ATOM 613 CD GLU A 42 -5.794 5.662 -6.518 1.00 0.00 C ATOM 614 OE1 GLU A 42 -5.940 5.359 -5.315 1.00 0.00 O ATOM 615 OE2 GLU A 42 -6.363 6.637 -7.052 1.00 0.00 O ATOM 0 H GLU A 42 -3.847 1.170 -6.068 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.609 2.307 -8.602 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.572 3.017 -6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.990 3.548 -5.887 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.930 5.318 -7.511 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.324 4.682 -8.361 1.00 0.00 H new ATOM 622 N HIS A 43 -1.567 2.715 -7.470 1.00 0.00 N ATOM 623 CA HIS A 43 -0.226 3.190 -7.806 1.00 0.00 C ATOM 624 C HIS A 43 0.433 2.286 -8.846 1.00 0.00 C ATOM 625 O HIS A 43 -0.133 1.264 -9.233 1.00 0.00 O ATOM 626 CB HIS A 43 0.604 3.291 -6.527 1.00 0.00 C ATOM 627 CG HIS A 43 0.137 4.409 -5.647 1.00 0.00 C ATOM 628 ND1 HIS A 43 -0.083 4.466 -4.314 1.00 0.00 N flip ATOM 629 CD2 HIS A 43 -0.202 5.651 -6.142 1.00 0.00 C flip ATOM 630 CE1 HIS A 43 -0.551 5.729 -4.032 1.00 0.00 C flip ATOM 631 NE2 HIS A 43 -0.611 6.422 -5.153 1.00 0.00 N flip ATOM 0 H HIS A 43 -1.608 2.146 -6.625 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.293 4.181 -8.256 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.545 2.350 -5.981 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.652 3.445 -6.785 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.142 5.947 -7.179 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.825 6.093 -3.053 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.921 7.390 -5.240 1.00 0.00 H new ATOM 640 N PRO A 44 1.632 2.661 -9.329 1.00 0.00 N ATOM 641 CA PRO A 44 2.356 1.887 -10.346 1.00 0.00 C ATOM 642 C PRO A 44 2.645 0.465 -9.885 1.00 0.00 C ATOM 643 O PRO A 44 3.753 0.155 -9.449 1.00 0.00 O ATOM 644 CB PRO A 44 3.660 2.672 -10.536 1.00 0.00 C ATOM 645 CG PRO A 44 3.348 4.048 -10.057 1.00 0.00 C ATOM 646 CD PRO A 44 2.373 3.869 -8.931 1.00 0.00 C ATOM 0 HA PRO A 44 1.779 1.777 -11.264 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.475 2.229 -9.964 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.970 2.677 -11.581 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.249 4.559 -9.718 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.919 4.654 -10.855 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.879 3.736 -7.975 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.714 4.731 -8.826 1.00 0.00 H new ATOM 654 N GLY A 45 1.631 -0.392 -9.966 1.00 0.00 N ATOM 655 CA GLY A 45 1.789 -1.768 -9.535 1.00 0.00 C ATOM 656 C GLY A 45 2.298 -1.857 -8.109 1.00 0.00 C ATOM 657 O GLY A 45 2.824 -2.889 -7.692 1.00 0.00 O ATOM 0 H GLY A 45 0.704 -0.158 -10.322 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.833 -2.285 -9.612 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.483 -2.280 -10.201 1.00 0.00 H new ATOM 661 N GLY A 46 2.143 -0.766 -7.361 1.00 0.00 N ATOM 662 CA GLY A 46 2.597 -0.734 -5.989 1.00 0.00 C ATOM 663 C GLY A 46 3.739 0.243 -5.783 1.00 0.00 C ATOM 664 O GLY A 46 4.868 -0.016 -6.200 1.00 0.00 O ATOM 0 H GLY A 46 1.709 0.097 -7.687 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.766 -0.460 -5.340 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.918 -1.732 -5.691 1.00 0.00 H new ATOM 668 N PHE A 47 3.445 1.370 -5.138 1.00 0.00 N ATOM 669 CA PHE A 47 4.454 2.395 -4.872 1.00 0.00 C ATOM 670 C PHE A 47 5.673 1.789 -4.187 1.00 0.00 C ATOM 671 O PHE A 47 5.745 0.577 -3.985 1.00 0.00 O ATOM 672 CB PHE A 47 3.870 3.500 -3.979 1.00 0.00 C ATOM 673 CG PHE A 47 3.394 4.736 -4.705 1.00 0.00 C ATOM 674 CD1 PHE A 47 3.632 4.920 -6.060 1.00 0.00 C ATOM 675 CD2 PHE A 47 2.705 5.720 -4.015 1.00 0.00 C ATOM 676 CE1 PHE A 47 3.190 6.059 -6.708 1.00 0.00 C ATOM 677 CE2 PHE A 47 2.263 6.860 -4.658 1.00 0.00 C ATOM 678 CZ PHE A 47 2.505 7.029 -6.006 1.00 0.00 C ATOM 0 H PHE A 47 2.514 1.598 -4.789 1.00 0.00 H new ATOM 0 HA PHE A 47 4.758 2.822 -5.828 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.034 3.085 -3.417 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.627 3.795 -3.253 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.169 4.165 -6.615 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.511 5.594 -2.960 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.381 6.189 -7.763 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.728 7.619 -4.106 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.159 7.919 -6.510 1.00 0.00 H new ATOM 688 N GLU A 48 6.620 2.639 -3.812 1.00 0.00 N ATOM 689 CA GLU A 48 7.823 2.166 -3.124 1.00 0.00 C ATOM 690 C GLU A 48 7.549 2.089 -1.632 1.00 0.00 C ATOM 691 O GLU A 48 8.195 2.758 -0.825 1.00 0.00 O ATOM 692 CB GLU A 48 9.030 3.076 -3.391 1.00 0.00 C ATOM 693 CG GLU A 48 8.843 4.037 -4.551 1.00 0.00 C ATOM 694 CD GLU A 48 10.060 4.108 -5.453 1.00 0.00 C ATOM 695 OE1 GLU A 48 11.073 4.707 -5.037 1.00 0.00 O ATOM 696 OE2 GLU A 48 9.999 3.564 -6.577 1.00 0.00 O ATOM 0 H GLU A 48 6.584 3.646 -3.968 1.00 0.00 H new ATOM 0 HA GLU A 48 8.069 1.177 -3.511 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.244 3.650 -2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.903 2.454 -3.587 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.978 3.728 -5.138 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.625 5.032 -4.162 1.00 0.00 H new ATOM 703 N TYR A 49 6.571 1.274 -1.277 1.00 0.00 N ATOM 704 CA TYR A 49 6.188 1.106 0.111 1.00 0.00 C ATOM 705 C TYR A 49 7.078 0.114 0.818 1.00 0.00 C ATOM 706 O TYR A 49 7.740 -0.718 0.197 1.00 0.00 O ATOM 707 CB TYR A 49 4.751 0.646 0.226 1.00 0.00 C ATOM 708 CG TYR A 49 4.401 -0.511 -0.656 1.00 0.00 C ATOM 709 CD1 TYR A 49 3.966 -0.308 -1.952 1.00 0.00 C ATOM 710 CD2 TYR A 49 4.503 -1.809 -0.186 1.00 0.00 C ATOM 711 CE1 TYR A 49 3.644 -1.369 -2.761 1.00 0.00 C ATOM 712 CE2 TYR A 49 4.182 -2.879 -0.986 1.00 0.00 C ATOM 713 CZ TYR A 49 3.752 -2.654 -2.279 1.00 0.00 C ATOM 714 OH TYR A 49 3.434 -3.716 -3.093 1.00 0.00 O ATOM 0 H TYR A 49 6.026 0.717 -1.935 1.00 0.00 H new ATOM 0 HA TYR A 49 6.298 2.080 0.587 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.552 0.371 1.262 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.094 1.482 -0.014 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.878 0.699 -2.333 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.840 -1.983 0.825 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.307 -1.196 -3.772 1.00 0.00 H new ATOM 0 HE2 TYR A 49 4.265 -3.887 -0.607 1.00 0.00 H new ATOM 0 HH TYR A 49 3.385 -3.412 -4.023 1.00 0.00 H new ATOM 724 N SER A 50 7.060 0.205 2.130 1.00 0.00 N ATOM 725 CA SER A 50 7.832 -0.682 2.971 1.00 0.00 C ATOM 726 C SER A 50 6.995 -1.086 4.169 1.00 0.00 C ATOM 727 O SER A 50 6.826 -0.313 5.113 1.00 0.00 O ATOM 728 CB SER A 50 9.129 -0.015 3.419 1.00 0.00 C ATOM 729 OG SER A 50 8.901 1.315 3.848 1.00 0.00 O ATOM 0 H SER A 50 6.511 0.895 2.643 1.00 0.00 H new ATOM 0 HA SER A 50 8.100 -1.572 2.401 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.575 -0.590 4.231 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.844 -0.017 2.597 1.00 0.00 H new ATOM 0 HG SER A 50 9.021 1.371 4.819 1.00 0.00 H new ATOM 735 N ASN A 51 6.441 -2.289 4.108 1.00 0.00 N ATOM 736 CA ASN A 51 5.590 -2.782 5.177 1.00 0.00 C ATOM 737 C ASN A 51 6.252 -2.625 6.535 1.00 0.00 C ATOM 738 O ASN A 51 7.413 -2.984 6.728 1.00 0.00 O ATOM 739 CB ASN A 51 5.223 -4.242 4.955 1.00 0.00 C ATOM 740 CG ASN A 51 4.632 -4.490 3.582 1.00 0.00 C ATOM 741 OD1 ASN A 51 5.313 -4.353 2.565 1.00 0.00 O ATOM 742 ND2 ASN A 51 3.357 -4.860 3.544 1.00 0.00 N ATOM 0 H ASN A 51 6.566 -2.938 3.331 1.00 0.00 H new ATOM 0 HA ASN A 51 4.681 -2.180 5.163 1.00 0.00 H new ATOM 0 HB2 ASN A 51 6.112 -4.860 5.081 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.508 -4.553 5.716 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.905 -5.043 2.648 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.829 -4.962 4.411 1.00 0.00 H new ATOM 749 N GLY A 52 5.492 -2.087 7.470 1.00 0.00 N ATOM 750 CA GLY A 52 5.996 -1.882 8.815 1.00 0.00 C ATOM 751 C GLY A 52 5.504 -0.586 9.433 1.00 0.00 C ATOM 752 O GLY A 52 5.084 0.324 8.719 1.00 0.00 O ATOM 0 H GLY A 52 4.529 -1.785 7.325 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.692 -2.718 9.444 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.086 -1.879 8.794 1.00 0.00 H new ATOM 756 N PRO A 53 5.543 -0.475 10.772 1.00 0.00 N ATOM 757 CA PRO A 53 5.094 0.725 11.480 1.00 0.00 C ATOM 758 C PRO A 53 6.130 1.844 11.446 1.00 0.00 C ATOM 759 O PRO A 53 7.037 1.889 12.277 1.00 0.00 O ATOM 760 CB PRO A 53 4.897 0.224 12.909 1.00 0.00 C ATOM 761 CG PRO A 53 5.895 -0.872 13.060 1.00 0.00 C ATOM 762 CD PRO A 53 6.027 -1.514 11.703 1.00 0.00 C ATOM 0 HA PRO A 53 4.200 1.157 11.031 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.067 1.019 13.635 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.881 -0.139 13.066 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.854 -0.481 13.400 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.566 -1.598 13.803 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.059 -1.792 11.491 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.431 -2.424 11.631 1.00 0.00 H new ATOM 770 N CYS A 54 5.988 2.750 10.483 1.00 0.00 N ATOM 771 CA CYS A 54 6.912 3.870 10.345 1.00 0.00 C ATOM 772 C CYS A 54 6.345 5.121 11.008 1.00 0.00 C ATOM 773 O CYS A 54 7.047 5.824 11.734 1.00 0.00 O ATOM 774 CB CYS A 54 7.198 4.150 8.869 1.00 0.00 C ATOM 775 SG CYS A 54 7.982 2.765 7.986 1.00 0.00 S ATOM 0 H CYS A 54 5.242 2.730 9.787 1.00 0.00 H new ATOM 0 HA CYS A 54 7.844 3.602 10.842 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.262 4.401 8.370 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.843 5.025 8.795 1.00 0.00 H new ATOM 780 N GLU A 55 5.070 5.393 10.751 1.00 0.00 N ATOM 781 CA GLU A 55 4.406 6.559 11.322 1.00 0.00 C ATOM 782 C GLU A 55 3.861 6.248 12.713 1.00 0.00 C ATOM 783 O GLU A 55 2.738 5.708 12.800 1.00 0.00 O ATOM 784 CB GLU A 55 3.270 7.023 10.409 1.00 0.00 C ATOM 785 CG GLU A 55 2.756 8.416 10.737 1.00 0.00 C ATOM 786 CD GLU A 55 1.265 8.556 10.506 1.00 0.00 C ATOM 787 OE1 GLU A 55 0.507 7.679 10.970 1.00 0.00 O ATOM 788 OE2 GLU A 55 0.854 9.545 9.863 1.00 0.00 O ATOM 789 OXT GLU A 55 4.562 6.546 13.702 1.00 0.00 O ATOM 0 H GLU A 55 4.476 4.821 10.151 1.00 0.00 H new ATOM 0 HA GLU A 55 5.142 7.358 11.410 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.616 7.006 9.375 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.445 6.314 10.480 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.982 8.647 11.778 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.285 9.148 10.126 1.00 0.00 H new TER 796 GLU A 55