USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 592 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 39 THR OG1 : rot 130:sc= -0.641 USER MOD Set 1.2: A 52 ASN : amide:sc= -1.74! C(o=-2.4!,f=-8!) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -2.79! C(o=-2.8!,f=-4.2!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00437 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 108:sc= 0.00196 USER MOD Single : A 36 LYS NZ :NH3+ -170:sc= -0.0636 (180deg=-0.238) USER MOD Single : A 38 THR OG1 : rot -90:sc= 1.02 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 42 TYR OH : rot -126:sc= 0.668 USER MOD Single : A 44 LYS NZ :NH3+ -124:sc= -0.383 (180deg=-1.31) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 140:sc= 1.21 (180deg=-0.489) USER MOD Single : A 54 SER OG : rot -63:sc= 1.2 USER MOD Single : A 55 ASN : amide:sc= -1.33 K(o=-1.3,f=-6.1!) USER MOD Single : A 58 SER OG : rot 170:sc= -0.019 USER MOD Single : A 67 HIS : no HD1:sc= -2.31 K(o=-2.3,f=-5.2!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -35:sc= 0.64 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -156:sc= -0.0609 (180deg=-0.886) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -3.006 4.161 0.338 1.00 0.00 N ATOM 60 CA GLY A 7 -1.803 3.508 0.820 1.00 0.00 C ATOM 61 C GLY A 7 -2.098 2.438 1.852 1.00 0.00 C ATOM 62 O GLY A 7 -3.199 2.383 2.403 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.274 3.061 -0.022 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.138 4.254 1.255 1.00 0.00 H new ATOM 66 N LEU A 8 -1.114 1.586 2.116 1.00 0.00 N ATOM 67 CA LEU A 8 -1.274 0.510 3.089 1.00 0.00 C ATOM 68 C LEU A 8 0.069 0.127 3.703 1.00 0.00 C ATOM 69 O LEU A 8 1.051 -0.081 2.990 1.00 0.00 O ATOM 70 CB LEU A 8 -1.912 -0.712 2.427 1.00 0.00 C ATOM 71 CG LEU A 8 -3.414 -0.621 2.157 1.00 0.00 C ATOM 72 CD1 LEU A 8 -3.880 -1.807 1.328 1.00 0.00 C ATOM 73 CD2 LEU A 8 -4.188 -0.544 3.465 1.00 0.00 C ATOM 0 H LEU A 8 -0.197 1.619 1.670 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.928 0.867 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.403 -0.895 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.729 -1.580 3.060 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.607 0.290 1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.952 -1.725 1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.350 -1.816 0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.673 -2.731 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.255 -0.480 3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.989 -1.436 4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.875 0.339 4.022 1.00 0.00 H new ATOM 85 N ILE A 9 0.103 0.034 5.027 1.00 0.00 N ATOM 86 CA ILE A 9 1.326 -0.327 5.736 1.00 0.00 C ATOM 87 C ILE A 9 1.363 -1.821 6.039 1.00 0.00 C ATOM 88 O ILE A 9 0.744 -2.287 6.996 1.00 0.00 O ATOM 89 CB ILE A 9 1.464 0.456 7.055 1.00 0.00 C ATOM 90 CG1 ILE A 9 1.370 1.961 6.792 1.00 0.00 C ATOM 91 CG2 ILE A 9 2.779 0.114 7.739 1.00 0.00 C ATOM 92 CD1 ILE A 9 2.500 2.497 5.941 1.00 0.00 C ATOM 0 H ILE A 9 -0.701 0.203 5.631 1.00 0.00 H new ATOM 0 HA ILE A 9 2.159 -0.070 5.082 1.00 0.00 H new ATOM 0 HB ILE A 9 0.647 0.170 7.717 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.421 2.177 6.300 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.362 2.489 7.746 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.862 0.675 8.670 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.810 -0.954 7.955 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.609 0.375 7.083 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.369 3.569 5.795 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.451 2.312 6.441 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.496 1.996 4.973 1.00 0.00 H new ATOM 104 N ALA A 10 2.095 -2.567 5.218 1.00 0.00 N ATOM 105 CA ALA A 10 2.217 -4.008 5.400 1.00 0.00 C ATOM 106 C ALA A 10 3.448 -4.354 6.230 1.00 0.00 C ATOM 107 O ALA A 10 4.581 -4.124 5.804 1.00 0.00 O ATOM 108 CB ALA A 10 2.275 -4.708 4.051 1.00 0.00 C ATOM 0 H ALA A 10 2.612 -2.197 4.421 1.00 0.00 H new ATOM 0 HA ALA A 10 1.337 -4.356 5.940 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.366 -5.784 4.203 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.364 -4.496 3.492 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.137 -4.346 3.490 1.00 0.00 H new ATOM 114 N CYS A 11 3.221 -4.905 7.418 1.00 0.00 N ATOM 115 CA CYS A 11 4.313 -5.281 8.309 1.00 0.00 C ATOM 116 C CYS A 11 4.628 -6.768 8.185 1.00 0.00 C ATOM 117 O CYS A 11 3.853 -7.616 8.627 1.00 0.00 O ATOM 118 CB CYS A 11 3.958 -4.942 9.756 1.00 0.00 C ATOM 119 SG CYS A 11 5.308 -5.204 10.929 1.00 0.00 S ATOM 0 H CYS A 11 2.290 -5.101 7.786 1.00 0.00 H new ATOM 0 HA CYS A 11 5.198 -4.715 8.018 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.644 -3.899 9.807 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.104 -5.547 10.060 1.00 0.00 H new ATOM 0 HG CYS A 11 4.911 -4.887 12.126 1.00 0.00 H new ATOM 125 N VAL A 12 5.770 -7.077 7.579 1.00 0.00 N ATOM 126 CA VAL A 12 6.189 -8.462 7.396 1.00 0.00 C ATOM 127 C VAL A 12 7.147 -8.898 8.500 1.00 0.00 C ATOM 128 O VAL A 12 7.963 -8.108 8.973 1.00 0.00 O ATOM 129 CB VAL A 12 6.869 -8.666 6.030 1.00 0.00 C ATOM 130 CG1 VAL A 12 6.621 -10.077 5.515 1.00 0.00 C ATOM 131 CG2 VAL A 12 6.377 -7.632 5.030 1.00 0.00 C ATOM 0 H VAL A 12 6.422 -6.387 7.206 1.00 0.00 H new ATOM 0 HA VAL A 12 5.288 -9.074 7.440 1.00 0.00 H new ATOM 0 HB VAL A 12 7.944 -8.534 6.156 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.109 -10.203 4.549 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.027 -10.799 6.223 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.549 -10.241 5.404 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.868 -7.792 4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.298 -7.730 4.906 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.611 -6.632 5.396 1.00 0.00 H new ATOM 141 N ALA A 13 7.041 -10.159 8.903 1.00 0.00 N ATOM 142 CA ALA A 13 7.900 -10.700 9.948 1.00 0.00 C ATOM 143 C ALA A 13 9.017 -11.553 9.356 1.00 0.00 C ATOM 144 O ALA A 13 10.041 -11.785 9.996 1.00 0.00 O ATOM 145 CB ALA A 13 7.079 -11.517 10.936 1.00 0.00 C ATOM 0 H ALA A 13 6.369 -10.825 8.522 1.00 0.00 H new ATOM 0 HA ALA A 13 8.358 -9.863 10.475 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.734 -11.915 11.711 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.321 -10.881 11.393 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.594 -12.341 10.412 1.00 0.00 H new ATOM 151 N ASN A 14 8.812 -12.017 8.127 1.00 0.00 N ATOM 152 CA ASN A 14 9.801 -12.846 7.448 1.00 0.00 C ATOM 153 C ASN A 14 10.917 -11.987 6.858 1.00 0.00 C ATOM 154 O ASN A 14 10.754 -11.383 5.798 1.00 0.00 O ATOM 155 CB ASN A 14 9.137 -13.667 6.342 1.00 0.00 C ATOM 156 CG ASN A 14 9.285 -15.161 6.563 1.00 0.00 C ATOM 157 OD1 ASN A 14 10.203 -15.610 7.248 1.00 0.00 O ATOM 158 ND2 ASN A 14 8.377 -15.937 5.983 1.00 0.00 N ATOM 0 H ASN A 14 7.970 -11.833 7.581 1.00 0.00 H new ATOM 0 HA ASN A 14 10.236 -13.524 8.183 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.078 -13.413 6.291 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.576 -13.399 5.381 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.424 -16.950 6.097 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.633 -15.521 5.423 1.00 0.00 H new ATOM 165 N ASP A 15 12.048 -11.939 7.552 1.00 0.00 N ATOM 166 CA ASP A 15 13.192 -11.156 7.097 1.00 0.00 C ATOM 167 C ASP A 15 13.572 -11.531 5.668 1.00 0.00 C ATOM 168 O ASP A 15 14.082 -10.702 4.913 1.00 0.00 O ATOM 169 CB ASP A 15 14.387 -11.369 8.028 1.00 0.00 C ATOM 170 CG ASP A 15 15.462 -10.318 7.839 1.00 0.00 C ATOM 171 OD1 ASP A 15 15.828 -10.045 6.677 1.00 0.00 O ATOM 172 OD2 ASP A 15 15.939 -9.769 8.853 1.00 0.00 O ATOM 0 H ASP A 15 12.198 -12.433 8.432 1.00 0.00 H new ATOM 0 HA ASP A 15 12.911 -10.103 7.116 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.045 -11.353 9.063 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.813 -12.356 7.848 1.00 0.00 H new ATOM 177 N ASP A 16 13.323 -12.783 5.303 1.00 0.00 N ATOM 178 CA ASP A 16 13.639 -13.267 3.965 1.00 0.00 C ATOM 179 C ASP A 16 12.990 -12.387 2.901 1.00 0.00 C ATOM 180 O ASP A 16 13.623 -12.024 1.909 1.00 0.00 O ATOM 181 CB ASP A 16 13.173 -14.715 3.799 1.00 0.00 C ATOM 182 CG ASP A 16 14.331 -15.691 3.732 1.00 0.00 C ATOM 183 OD1 ASP A 16 14.822 -15.953 2.615 1.00 0.00 O ATOM 184 OD2 ASP A 16 14.745 -16.195 4.798 1.00 0.00 O ATOM 0 H ASP A 16 12.903 -13.482 5.916 1.00 0.00 H new ATOM 0 HA ASP A 16 14.721 -13.224 3.837 1.00 0.00 H new ATOM 0 HB2 ASP A 16 12.524 -14.983 4.633 1.00 0.00 H new ATOM 0 HB3 ASP A 16 12.577 -14.800 2.890 1.00 0.00 H new ATOM 189 N VAL A 17 11.722 -12.048 3.114 1.00 0.00 N ATOM 190 CA VAL A 17 10.988 -11.210 2.173 1.00 0.00 C ATOM 191 C VAL A 17 11.817 -10.005 1.746 1.00 0.00 C ATOM 192 O VAL A 17 11.641 -9.473 0.649 1.00 0.00 O ATOM 193 CB VAL A 17 9.660 -10.716 2.779 1.00 0.00 C ATOM 194 CG1 VAL A 17 9.088 -9.574 1.954 1.00 0.00 C ATOM 195 CG2 VAL A 17 8.664 -11.862 2.885 1.00 0.00 C ATOM 0 H VAL A 17 11.183 -12.340 3.929 1.00 0.00 H new ATOM 0 HA VAL A 17 10.774 -11.828 1.301 1.00 0.00 H new ATOM 0 HB VAL A 17 9.856 -10.342 3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.150 -9.239 2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.798 -8.747 1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.905 -9.917 0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.732 -11.495 3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.470 -12.269 1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.075 -12.644 3.524 1.00 0.00 H new ATOM 205 N PHE A 18 12.726 -9.579 2.618 1.00 0.00 N ATOM 206 CA PHE A 18 13.584 -8.436 2.331 1.00 0.00 C ATOM 207 C PHE A 18 14.876 -8.882 1.653 1.00 0.00 C ATOM 208 O PHE A 18 15.965 -8.442 2.018 1.00 0.00 O ATOM 209 CB PHE A 18 13.908 -7.679 3.621 1.00 0.00 C ATOM 210 CG PHE A 18 12.691 -7.306 4.418 1.00 0.00 C ATOM 211 CD1 PHE A 18 12.055 -8.244 5.215 1.00 0.00 C ATOM 212 CD2 PHE A 18 12.183 -6.018 4.371 1.00 0.00 C ATOM 213 CE1 PHE A 18 10.935 -7.904 5.951 1.00 0.00 C ATOM 214 CE2 PHE A 18 11.065 -5.672 5.105 1.00 0.00 C ATOM 215 CZ PHE A 18 10.438 -6.617 5.895 1.00 0.00 C ATOM 0 H PHE A 18 12.887 -10.009 3.529 1.00 0.00 H new ATOM 0 HA PHE A 18 13.048 -7.773 1.652 1.00 0.00 H new ATOM 0 HB2 PHE A 18 14.563 -8.293 4.239 1.00 0.00 H new ATOM 0 HB3 PHE A 18 14.461 -6.773 3.372 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.439 -9.253 5.262 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.667 -5.276 3.753 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.449 -8.644 6.569 1.00 0.00 H new ATOM 0 HE2 PHE A 18 10.681 -4.663 5.062 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.562 -6.350 6.467 1.00 0.00 H new ATOM 262 N GLU A 22 14.057 -14.182 -4.059 1.00 0.00 N ATOM 263 CA GLU A 22 12.779 -14.340 -4.743 1.00 0.00 C ATOM 264 C GLU A 22 11.616 -14.118 -3.782 1.00 0.00 C ATOM 265 O GLU A 22 10.591 -13.543 -4.150 1.00 0.00 O ATOM 266 CB GLU A 22 12.679 -15.732 -5.371 1.00 0.00 C ATOM 267 CG GLU A 22 11.635 -15.832 -6.469 1.00 0.00 C ATOM 268 CD GLU A 22 11.773 -17.097 -7.292 1.00 0.00 C ATOM 269 OE1 GLU A 22 12.096 -18.154 -6.709 1.00 0.00 O ATOM 270 OE2 GLU A 22 11.558 -17.032 -8.521 1.00 0.00 O ATOM 0 HA GLU A 22 12.724 -13.590 -5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.651 -16.007 -5.780 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.444 -16.457 -4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.641 -15.800 -6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.719 -14.965 -7.125 1.00 0.00 H new ATOM 277 N THR A 23 11.780 -14.580 -2.546 1.00 0.00 N ATOM 278 CA THR A 23 10.744 -14.435 -1.531 1.00 0.00 C ATOM 279 C THR A 23 10.002 -13.113 -1.689 1.00 0.00 C ATOM 280 O THR A 23 8.777 -13.061 -1.579 1.00 0.00 O ATOM 281 CB THR A 23 11.334 -14.514 -0.111 1.00 0.00 C ATOM 282 OG1 THR A 23 12.208 -15.643 -0.006 1.00 0.00 O ATOM 283 CG2 THR A 23 10.229 -14.623 0.929 1.00 0.00 C ATOM 0 H THR A 23 12.621 -15.058 -2.224 1.00 0.00 H new ATOM 0 HA THR A 23 10.045 -15.260 -1.672 1.00 0.00 H new ATOM 0 HB THR A 23 11.898 -13.600 0.076 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.580 -15.685 0.899 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.670 -14.677 1.924 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.582 -13.748 0.866 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.642 -15.522 0.743 1.00 0.00 H new ATOM 291 N ARG A 24 10.751 -12.046 -1.947 1.00 0.00 N ATOM 292 CA ARG A 24 10.164 -10.723 -2.119 1.00 0.00 C ATOM 293 C ARG A 24 8.976 -10.776 -3.074 1.00 0.00 C ATOM 294 O ARG A 24 7.860 -10.401 -2.716 1.00 0.00 O ATOM 295 CB ARG A 24 11.212 -9.740 -2.644 1.00 0.00 C ATOM 296 CG ARG A 24 10.660 -8.350 -2.917 1.00 0.00 C ATOM 297 CD ARG A 24 11.589 -7.550 -3.817 1.00 0.00 C ATOM 298 NE ARG A 24 11.592 -8.054 -5.187 1.00 0.00 N ATOM 299 CZ ARG A 24 12.474 -7.678 -6.107 1.00 0.00 C ATOM 300 NH1 ARG A 24 13.418 -6.798 -5.803 1.00 0.00 N ATOM 301 NH2 ARG A 24 12.412 -8.182 -7.333 1.00 0.00 N ATOM 0 H ARG A 24 11.766 -12.072 -2.042 1.00 0.00 H new ATOM 0 HA ARG A 24 9.811 -10.380 -1.146 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.022 -9.664 -1.919 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.643 -10.138 -3.563 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.679 -8.432 -3.385 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.520 -7.821 -1.974 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.282 -6.504 -3.816 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.602 -7.585 -3.416 1.00 0.00 H new ATOM 0 HE ARG A 24 10.878 -8.732 -5.453 1.00 0.00 H new ATOM 0 HH11 ARG A 24 13.468 -6.408 -4.862 1.00 0.00 H new ATOM 0 HH12 ARG A 24 14.094 -6.511 -6.510 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.687 -8.859 -7.570 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.090 -7.893 -8.038 1.00 0.00 H new ATOM 315 N ALA A 25 9.225 -11.243 -4.294 1.00 0.00 N ATOM 316 CA ALA A 25 8.176 -11.346 -5.301 1.00 0.00 C ATOM 317 C ALA A 25 6.902 -11.938 -4.709 1.00 0.00 C ATOM 318 O ALA A 25 5.826 -11.348 -4.810 1.00 0.00 O ATOM 319 CB ALA A 25 8.654 -12.186 -6.476 1.00 0.00 C ATOM 0 H ALA A 25 10.144 -11.556 -4.608 1.00 0.00 H new ATOM 0 HA ALA A 25 7.947 -10.341 -5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.861 -12.255 -7.221 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.532 -11.720 -6.923 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.912 -13.186 -6.127 1.00 0.00 H new ATOM 325 N LYS A 26 7.029 -13.108 -4.092 1.00 0.00 N ATOM 326 CA LYS A 26 5.889 -13.780 -3.482 1.00 0.00 C ATOM 327 C LYS A 26 5.003 -12.785 -2.739 1.00 0.00 C ATOM 328 O LYS A 26 3.777 -12.845 -2.825 1.00 0.00 O ATOM 329 CB LYS A 26 6.367 -14.870 -2.520 1.00 0.00 C ATOM 330 CG LYS A 26 7.061 -16.031 -3.212 1.00 0.00 C ATOM 331 CD LYS A 26 7.977 -16.780 -2.260 1.00 0.00 C ATOM 332 CE LYS A 26 9.251 -17.236 -2.954 1.00 0.00 C ATOM 333 NZ LYS A 26 9.131 -18.625 -3.478 1.00 0.00 N ATOM 0 H LYS A 26 7.912 -13.611 -4.001 1.00 0.00 H new ATOM 0 HA LYS A 26 5.302 -14.238 -4.278 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.051 -14.429 -1.795 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.512 -15.250 -1.961 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.314 -16.716 -3.614 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.639 -15.659 -4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.231 -16.137 -1.417 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.453 -17.645 -1.855 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.480 -16.557 -3.775 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.085 -17.183 -2.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.020 -18.898 -3.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.937 -19.277 -2.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.352 -18.671 -4.165 1.00 0.00 H new ATOM 347 N PHE A 27 5.633 -11.868 -2.012 1.00 0.00 N ATOM 348 CA PHE A 27 4.902 -10.858 -1.254 1.00 0.00 C ATOM 349 C PHE A 27 4.275 -9.826 -2.188 1.00 0.00 C ATOM 350 O PHE A 27 3.109 -9.466 -2.037 1.00 0.00 O ATOM 351 CB PHE A 27 5.833 -10.164 -0.259 1.00 0.00 C ATOM 352 CG PHE A 27 5.222 -8.956 0.390 1.00 0.00 C ATOM 353 CD1 PHE A 27 5.202 -7.735 -0.265 1.00 0.00 C ATOM 354 CD2 PHE A 27 4.666 -9.040 1.657 1.00 0.00 C ATOM 355 CE1 PHE A 27 4.640 -6.622 0.331 1.00 0.00 C ATOM 356 CE2 PHE A 27 4.103 -7.931 2.258 1.00 0.00 C ATOM 357 CZ PHE A 27 4.089 -6.720 1.594 1.00 0.00 C ATOM 0 H PHE A 27 6.648 -11.803 -1.932 1.00 0.00 H new ATOM 0 HA PHE A 27 4.104 -11.358 -0.705 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.121 -10.876 0.515 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.746 -9.867 -0.774 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.631 -7.652 -1.253 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.673 -9.984 2.181 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.632 -5.676 -0.190 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.674 -8.011 3.246 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.648 -5.852 2.061 1.00 0.00 H new ATOM 367 N GLU A 28 5.059 -9.356 -3.153 1.00 0.00 N ATOM 368 CA GLU A 28 4.582 -8.365 -4.110 1.00 0.00 C ATOM 369 C GLU A 28 3.385 -8.898 -4.893 1.00 0.00 C ATOM 370 O GLU A 28 2.301 -8.316 -4.864 1.00 0.00 O ATOM 371 CB GLU A 28 5.703 -7.972 -5.073 1.00 0.00 C ATOM 372 CG GLU A 28 6.244 -6.572 -4.839 1.00 0.00 C ATOM 373 CD GLU A 28 7.243 -6.147 -5.898 1.00 0.00 C ATOM 374 OE1 GLU A 28 6.921 -6.272 -7.098 1.00 0.00 O ATOM 375 OE2 GLU A 28 8.344 -5.691 -5.528 1.00 0.00 O ATOM 0 H GLU A 28 6.027 -9.646 -3.293 1.00 0.00 H new ATOM 0 HA GLU A 28 4.266 -7.482 -3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.519 -8.688 -4.979 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.333 -8.043 -6.096 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.415 -5.864 -4.822 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.719 -6.529 -3.859 1.00 0.00 H new ATOM 382 N SER A 29 3.592 -10.008 -5.594 1.00 0.00 N ATOM 383 CA SER A 29 2.532 -10.618 -6.390 1.00 0.00 C ATOM 384 C SER A 29 1.186 -10.503 -5.681 1.00 0.00 C ATOM 385 O SER A 29 0.176 -10.159 -6.296 1.00 0.00 O ATOM 386 CB SER A 29 2.854 -12.089 -6.663 1.00 0.00 C ATOM 387 OG SER A 29 1.703 -12.788 -7.104 1.00 0.00 O ATOM 0 H SER A 29 4.483 -10.503 -5.627 1.00 0.00 H new ATOM 0 HA SER A 29 2.470 -10.085 -7.339 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.638 -12.159 -7.417 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.241 -12.554 -5.757 1.00 0.00 H new ATOM 0 HG SER A 29 1.934 -13.725 -7.273 1.00 0.00 H new ATOM 393 N LEU A 30 1.181 -10.791 -4.385 1.00 0.00 N ATOM 394 CA LEU A 30 -0.041 -10.720 -3.591 1.00 0.00 C ATOM 395 C LEU A 30 -0.768 -9.400 -3.826 1.00 0.00 C ATOM 396 O LEU A 30 -1.985 -9.373 -4.009 1.00 0.00 O ATOM 397 CB LEU A 30 0.283 -10.879 -2.104 1.00 0.00 C ATOM 398 CG LEU A 30 0.893 -12.220 -1.690 1.00 0.00 C ATOM 399 CD1 LEU A 30 1.578 -12.098 -0.338 1.00 0.00 C ATOM 400 CD2 LEU A 30 -0.174 -13.303 -1.654 1.00 0.00 C ATOM 0 H LEU A 30 2.009 -11.076 -3.861 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.695 -11.534 -3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.971 -10.085 -1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.634 -10.728 -1.535 1.00 0.00 H new ATOM 0 HG LEU A 30 1.642 -12.502 -2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.006 -13.061 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.370 -11.352 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.849 -11.794 0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.278 -14.250 -1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.946 -13.029 -0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.620 -13.408 -2.643 1.00 0.00 H new ATOM 412 N PHE A 31 -0.013 -8.306 -3.821 1.00 0.00 N ATOM 413 CA PHE A 31 -0.585 -6.982 -4.036 1.00 0.00 C ATOM 414 C PHE A 31 -0.616 -6.637 -5.521 1.00 0.00 C ATOM 415 O PHE A 31 -1.673 -6.336 -6.078 1.00 0.00 O ATOM 416 CB PHE A 31 0.218 -5.927 -3.272 1.00 0.00 C ATOM 417 CG PHE A 31 0.431 -6.268 -1.825 1.00 0.00 C ATOM 418 CD1 PHE A 31 1.496 -7.065 -1.437 1.00 0.00 C ATOM 419 CD2 PHE A 31 -0.432 -5.789 -0.852 1.00 0.00 C ATOM 420 CE1 PHE A 31 1.693 -7.380 -0.105 1.00 0.00 C ATOM 421 CE2 PHE A 31 -0.240 -6.100 0.480 1.00 0.00 C ATOM 422 CZ PHE A 31 0.826 -6.896 0.854 1.00 0.00 C ATOM 0 H PHE A 31 0.996 -8.310 -3.670 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.609 -6.991 -3.662 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.188 -5.801 -3.754 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.299 -4.970 -3.339 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.179 -7.444 -2.183 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.265 -5.165 -1.139 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.525 -8.005 0.185 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.922 -5.722 1.228 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.981 -7.139 1.895 1.00 0.00 H new ATOM 432 N ARG A 32 0.550 -6.682 -6.158 1.00 0.00 N ATOM 433 CA ARG A 32 0.657 -6.373 -7.579 1.00 0.00 C ATOM 434 C ARG A 32 -0.436 -7.081 -8.374 1.00 0.00 C ATOM 435 O ARG A 32 -1.132 -6.464 -9.180 1.00 0.00 O ATOM 436 CB ARG A 32 2.034 -6.779 -8.109 1.00 0.00 C ATOM 437 CG ARG A 32 2.642 -5.767 -9.065 1.00 0.00 C ATOM 438 CD ARG A 32 2.151 -5.981 -10.488 1.00 0.00 C ATOM 439 NE ARG A 32 2.916 -5.198 -11.455 1.00 0.00 N ATOM 440 CZ ARG A 32 2.648 -5.171 -12.756 1.00 0.00 C ATOM 441 NH1 ARG A 32 1.637 -5.879 -13.243 1.00 0.00 N ATOM 442 NH2 ARG A 32 3.390 -4.434 -13.572 1.00 0.00 N ATOM 0 H ARG A 32 1.434 -6.929 -5.712 1.00 0.00 H new ATOM 0 HA ARG A 32 0.531 -5.297 -7.701 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.710 -6.922 -7.266 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.950 -7.740 -8.616 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.388 -4.758 -8.739 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.729 -5.846 -9.038 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.222 -7.039 -10.741 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.098 -5.708 -10.553 1.00 0.00 H new ATOM 0 HE ARG A 32 3.699 -4.641 -11.113 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.064 -6.446 -12.618 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.433 -5.857 -14.242 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.167 -3.887 -13.201 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.184 -4.414 -14.571 1.00 0.00 H new ATOM 456 N THR A 33 -0.580 -8.382 -8.142 1.00 0.00 N ATOM 457 CA THR A 33 -1.585 -9.176 -8.837 1.00 0.00 C ATOM 458 C THR A 33 -2.877 -8.387 -9.020 1.00 0.00 C ATOM 459 O THR A 33 -3.631 -8.622 -9.966 1.00 0.00 O ATOM 460 CB THR A 33 -1.896 -10.479 -8.077 1.00 0.00 C ATOM 461 OG1 THR A 33 -2.851 -11.257 -8.809 1.00 0.00 O ATOM 462 CG2 THR A 33 -2.438 -10.180 -6.688 1.00 0.00 C ATOM 0 H THR A 33 -0.013 -8.908 -7.477 1.00 0.00 H new ATOM 0 HA THR A 33 -1.172 -9.425 -9.814 1.00 0.00 H new ATOM 0 HB THR A 33 -0.969 -11.043 -7.974 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.042 -12.085 -8.320 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.650 -11.116 -6.171 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.698 -9.613 -6.123 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.355 -9.597 -6.773 1.00 0.00 H new ATOM 470 N TYR A 34 -3.127 -7.451 -8.112 1.00 0.00 N ATOM 471 CA TYR A 34 -4.329 -6.629 -8.173 1.00 0.00 C ATOM 472 C TYR A 34 -4.116 -5.417 -9.076 1.00 0.00 C ATOM 473 O TYR A 34 -4.675 -5.338 -10.170 1.00 0.00 O ATOM 474 CB TYR A 34 -4.729 -6.169 -6.770 1.00 0.00 C ATOM 475 CG TYR A 34 -4.679 -7.269 -5.735 1.00 0.00 C ATOM 476 CD1 TYR A 34 -5.144 -8.546 -6.026 1.00 0.00 C ATOM 477 CD2 TYR A 34 -4.167 -7.032 -4.465 1.00 0.00 C ATOM 478 CE1 TYR A 34 -5.101 -9.554 -5.083 1.00 0.00 C ATOM 479 CE2 TYR A 34 -4.119 -8.036 -3.516 1.00 0.00 C ATOM 480 CZ TYR A 34 -4.587 -9.294 -3.829 1.00 0.00 C ATOM 481 OH TYR A 34 -4.541 -10.297 -2.888 1.00 0.00 O ATOM 0 H TYR A 34 -2.513 -7.243 -7.325 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.132 -7.235 -8.593 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.068 -5.360 -6.460 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.739 -5.760 -6.805 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.546 -8.754 -7.007 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.801 -6.047 -4.215 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.468 -10.540 -5.326 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.717 -7.836 -2.534 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.612 -10.581 -2.757 1.00 0.00 H new ATOM 491 N ASP A 35 -3.302 -4.476 -8.609 1.00 0.00 N ATOM 492 CA ASP A 35 -3.012 -3.269 -9.373 1.00 0.00 C ATOM 493 C ASP A 35 -1.589 -3.304 -9.925 1.00 0.00 C ATOM 494 O ASP A 35 -0.668 -3.786 -9.266 1.00 0.00 O ATOM 495 CB ASP A 35 -3.203 -2.028 -8.501 1.00 0.00 C ATOM 496 CG ASP A 35 -3.577 -0.802 -9.311 1.00 0.00 C ATOM 497 OD1 ASP A 35 -2.750 -0.364 -10.137 1.00 0.00 O ATOM 498 OD2 ASP A 35 -4.695 -0.281 -9.117 1.00 0.00 O ATOM 0 H ASP A 35 -2.832 -4.526 -7.705 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.707 -3.224 -10.211 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.981 -2.223 -7.763 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.283 -1.829 -7.951 1.00 0.00 H new ATOM 503 N LYS A 36 -1.417 -2.790 -11.138 1.00 0.00 N ATOM 504 CA LYS A 36 -0.108 -2.761 -11.779 1.00 0.00 C ATOM 505 C LYS A 36 0.625 -1.462 -11.462 1.00 0.00 C ATOM 506 O LYS A 36 1.840 -1.366 -11.635 1.00 0.00 O ATOM 507 CB LYS A 36 -0.256 -2.918 -13.294 1.00 0.00 C ATOM 508 CG LYS A 36 -1.117 -1.844 -13.936 1.00 0.00 C ATOM 509 CD LYS A 36 -0.401 -1.175 -15.097 1.00 0.00 C ATOM 510 CE LYS A 36 -0.676 -1.892 -16.410 1.00 0.00 C ATOM 511 NZ LYS A 36 -0.061 -3.249 -16.441 1.00 0.00 N ATOM 0 H LYS A 36 -2.169 -2.387 -11.697 1.00 0.00 H new ATOM 0 HA LYS A 36 0.478 -3.593 -11.388 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.733 -2.900 -13.751 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.689 -3.895 -13.509 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.049 -2.286 -14.288 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.382 -1.095 -13.190 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.723 -0.136 -15.174 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.672 -1.163 -14.906 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.752 -1.978 -16.558 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.287 -1.298 -17.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.123 -3.636 -17.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.938 -3.184 -16.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.568 -3.875 -15.783 1.00 0.00 H new ATOM 525 N ASP A 37 -0.121 -0.467 -10.994 1.00 0.00 N ATOM 526 CA ASP A 37 0.459 0.826 -10.649 1.00 0.00 C ATOM 527 C ASP A 37 0.676 0.939 -9.143 1.00 0.00 C ATOM 528 O ASP A 37 0.622 2.032 -8.577 1.00 0.00 O ATOM 529 CB ASP A 37 -0.445 1.960 -11.134 1.00 0.00 C ATOM 530 CG ASP A 37 0.168 2.739 -12.280 1.00 0.00 C ATOM 531 OD1 ASP A 37 0.050 2.285 -13.438 1.00 0.00 O ATOM 532 OD2 ASP A 37 0.765 3.804 -12.021 1.00 0.00 O ATOM 0 H ASP A 37 -1.128 -0.531 -10.845 1.00 0.00 H new ATOM 0 HA ASP A 37 1.427 0.907 -11.144 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.403 1.547 -11.451 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.649 2.638 -10.305 1.00 0.00 H new ATOM 537 N THR A 38 0.921 -0.197 -8.498 1.00 0.00 N ATOM 538 CA THR A 38 1.144 -0.225 -7.058 1.00 0.00 C ATOM 539 C THR A 38 2.626 -0.087 -6.728 1.00 0.00 C ATOM 540 O THR A 38 3.463 -0.814 -7.266 1.00 0.00 O ATOM 541 CB THR A 38 0.609 -1.528 -6.433 1.00 0.00 C ATOM 542 OG1 THR A 38 0.752 -2.610 -7.359 1.00 0.00 O ATOM 543 CG2 THR A 38 -0.852 -1.378 -6.038 1.00 0.00 C ATOM 0 H THR A 38 0.970 -1.110 -8.950 1.00 0.00 H new ATOM 0 HA THR A 38 0.601 0.621 -6.637 1.00 0.00 H new ATOM 0 HB THR A 38 1.190 -1.741 -5.536 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.057 -2.680 -7.908 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.208 -2.310 -5.599 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.951 -0.573 -5.310 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.446 -1.143 -6.922 1.00 0.00 H new ATOM 551 N THR A 39 2.945 0.848 -5.839 1.00 0.00 N ATOM 552 CA THR A 39 4.327 1.082 -5.438 1.00 0.00 C ATOM 553 C THR A 39 4.652 0.354 -4.138 1.00 0.00 C ATOM 554 O THR A 39 3.865 0.374 -3.191 1.00 0.00 O ATOM 555 CB THR A 39 4.614 2.584 -5.258 1.00 0.00 C ATOM 556 OG1 THR A 39 4.050 3.046 -4.025 1.00 0.00 O ATOM 557 CG2 THR A 39 4.040 3.387 -6.415 1.00 0.00 C ATOM 0 H THR A 39 2.265 1.456 -5.383 1.00 0.00 H new ATOM 0 HA THR A 39 4.958 0.693 -6.237 1.00 0.00 H new ATOM 0 HB THR A 39 5.695 2.725 -5.239 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.728 3.541 -3.520 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.255 4.445 -6.266 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.492 3.053 -7.349 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.961 3.239 -6.461 1.00 0.00 H new ATOM 565 N PHE A 40 5.816 -0.286 -4.098 1.00 0.00 N ATOM 566 CA PHE A 40 6.244 -1.020 -2.914 1.00 0.00 C ATOM 567 C PHE A 40 7.474 -0.370 -2.287 1.00 0.00 C ATOM 568 O PHE A 40 8.486 -0.159 -2.955 1.00 0.00 O ATOM 569 CB PHE A 40 6.551 -2.475 -3.273 1.00 0.00 C ATOM 570 CG PHE A 40 5.369 -3.218 -3.830 1.00 0.00 C ATOM 571 CD1 PHE A 40 4.894 -2.935 -5.101 1.00 0.00 C ATOM 572 CD2 PHE A 40 4.735 -4.196 -3.083 1.00 0.00 C ATOM 573 CE1 PHE A 40 3.806 -3.616 -5.615 1.00 0.00 C ATOM 574 CE2 PHE A 40 3.646 -4.880 -3.592 1.00 0.00 C ATOM 575 CZ PHE A 40 3.183 -4.591 -4.860 1.00 0.00 C ATOM 0 H PHE A 40 6.479 -0.311 -4.872 1.00 0.00 H new ATOM 0 HA PHE A 40 5.431 -0.995 -2.188 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.361 -2.498 -4.002 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.909 -2.993 -2.383 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.379 -2.175 -5.696 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.095 -4.428 -2.091 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.443 -3.386 -6.606 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.159 -5.639 -2.998 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.335 -5.126 -5.261 1.00 0.00 H new ATOM 585 N GLN A 41 7.378 -0.054 -0.999 1.00 0.00 N ATOM 586 CA GLN A 41 8.480 0.574 -0.282 1.00 0.00 C ATOM 587 C GLN A 41 8.889 -0.262 0.926 1.00 0.00 C ATOM 588 O GLN A 41 8.176 -0.313 1.928 1.00 0.00 O ATOM 589 CB GLN A 41 8.090 1.982 0.167 1.00 0.00 C ATOM 590 CG GLN A 41 8.955 3.076 -0.438 1.00 0.00 C ATOM 591 CD GLN A 41 8.195 4.370 -0.655 1.00 0.00 C ATOM 592 OE1 GLN A 41 7.191 4.401 -1.369 1.00 0.00 O ATOM 593 NE2 GLN A 41 8.670 5.446 -0.039 1.00 0.00 N ATOM 0 H GLN A 41 6.548 -0.223 -0.431 1.00 0.00 H new ATOM 0 HA GLN A 41 9.330 0.640 -0.961 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.049 2.164 -0.100 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.155 2.039 1.254 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.806 3.265 0.217 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.356 2.731 -1.391 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.505 5.374 0.543 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.200 6.345 -0.148 1.00 0.00 H new ATOM 602 N TYR A 42 10.042 -0.916 0.824 1.00 0.00 N ATOM 603 CA TYR A 42 10.545 -1.752 1.908 1.00 0.00 C ATOM 604 C TYR A 42 11.423 -0.943 2.857 1.00 0.00 C ATOM 605 O TYR A 42 12.406 -0.329 2.441 1.00 0.00 O ATOM 606 CB TYR A 42 11.336 -2.933 1.344 1.00 0.00 C ATOM 607 CG TYR A 42 10.477 -3.950 0.627 1.00 0.00 C ATOM 608 CD1 TYR A 42 10.151 -3.789 -0.715 1.00 0.00 C ATOM 609 CD2 TYR A 42 9.990 -5.069 1.288 1.00 0.00 C ATOM 610 CE1 TYR A 42 9.366 -4.715 -1.375 1.00 0.00 C ATOM 611 CE2 TYR A 42 9.205 -6.001 0.637 1.00 0.00 C ATOM 612 CZ TYR A 42 8.897 -5.819 -0.695 1.00 0.00 C ATOM 613 OH TYR A 42 8.114 -6.744 -1.349 1.00 0.00 O ATOM 0 H TYR A 42 10.645 -0.883 0.002 1.00 0.00 H new ATOM 0 HA TYR A 42 9.690 -2.131 2.468 1.00 0.00 H new ATOM 0 HB2 TYR A 42 12.092 -2.557 0.654 1.00 0.00 H new ATOM 0 HB3 TYR A 42 11.866 -3.427 2.159 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.517 -2.926 -1.251 1.00 0.00 H new ATOM 0 HD2 TYR A 42 10.229 -5.214 2.331 1.00 0.00 H new ATOM 0 HE1 TYR A 42 9.121 -4.575 -2.418 1.00 0.00 H new ATOM 0 HE2 TYR A 42 8.835 -6.866 1.167 1.00 0.00 H new ATOM 0 HH TYR A 42 7.280 -6.877 -0.852 1.00 0.00 H new ATOM 623 N PHE A 43 11.064 -0.948 4.136 1.00 0.00 N ATOM 624 CA PHE A 43 11.819 -0.216 5.146 1.00 0.00 C ATOM 625 C PHE A 43 12.502 -1.175 6.117 1.00 0.00 C ATOM 626 O PHE A 43 11.880 -1.676 7.053 1.00 0.00 O ATOM 627 CB PHE A 43 10.896 0.733 5.914 1.00 0.00 C ATOM 628 CG PHE A 43 10.084 1.631 5.024 1.00 0.00 C ATOM 629 CD1 PHE A 43 10.671 2.277 3.948 1.00 0.00 C ATOM 630 CD2 PHE A 43 8.734 1.826 5.262 1.00 0.00 C ATOM 631 CE1 PHE A 43 9.927 3.103 3.128 1.00 0.00 C ATOM 632 CE2 PHE A 43 7.984 2.651 4.445 1.00 0.00 C ATOM 633 CZ PHE A 43 8.581 3.290 3.376 1.00 0.00 C ATOM 0 H PHE A 43 10.254 -1.451 4.498 1.00 0.00 H new ATOM 0 HA PHE A 43 12.587 0.366 4.638 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.221 0.146 6.537 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.497 1.347 6.585 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.723 2.133 3.748 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.262 1.328 6.096 1.00 0.00 H new ATOM 0 HE1 PHE A 43 10.397 3.602 2.294 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.932 2.796 4.642 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.997 3.934 2.736 1.00 0.00 H new ATOM 643 N LYS A 44 13.786 -1.426 5.885 1.00 0.00 N ATOM 644 CA LYS A 44 14.556 -2.324 6.738 1.00 0.00 C ATOM 645 C LYS A 44 14.680 -1.760 8.151 1.00 0.00 C ATOM 646 O LYS A 44 14.811 -2.508 9.119 1.00 0.00 O ATOM 647 CB LYS A 44 15.948 -2.555 6.145 1.00 0.00 C ATOM 648 CG LYS A 44 16.560 -3.890 6.533 1.00 0.00 C ATOM 649 CD LYS A 44 17.308 -4.519 5.369 1.00 0.00 C ATOM 650 CE LYS A 44 17.544 -6.004 5.597 1.00 0.00 C ATOM 651 NZ LYS A 44 16.921 -6.836 4.532 1.00 0.00 N ATOM 0 H LYS A 44 14.315 -1.020 5.113 1.00 0.00 H new ATOM 0 HA LYS A 44 14.028 -3.276 6.791 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.885 -2.496 5.058 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.610 -1.753 6.471 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.242 -3.749 7.371 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.775 -4.567 6.871 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.740 -4.377 4.450 1.00 0.00 H new ATOM 0 HD3 LYS A 44 18.264 -4.014 5.234 1.00 0.00 H new ATOM 0 HE2 LYS A 44 18.616 -6.200 5.630 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.137 -6.291 6.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.274 -7.526 4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.390 -6.224 3.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.663 -7.340 4.006 1.00 0.00 H new ATOM 665 N SER A 45 14.639 -0.436 8.260 1.00 0.00 N ATOM 666 CA SER A 45 14.749 0.228 9.553 1.00 0.00 C ATOM 667 C SER A 45 13.551 -0.104 10.438 1.00 0.00 C ATOM 668 O SER A 45 13.693 -0.300 11.646 1.00 0.00 O ATOM 669 CB SER A 45 14.854 1.743 9.366 1.00 0.00 C ATOM 670 OG SER A 45 16.002 2.085 8.607 1.00 0.00 O ATOM 0 H SER A 45 14.530 0.198 7.468 1.00 0.00 H new ATOM 0 HA SER A 45 15.653 -0.134 10.043 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.960 2.114 8.865 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.899 2.231 10.340 1.00 0.00 H new ATOM 0 HG SER A 45 16.045 3.058 8.500 1.00 0.00 H new ATOM 676 N PHE A 46 12.372 -0.165 9.829 1.00 0.00 N ATOM 677 CA PHE A 46 11.149 -0.472 10.561 1.00 0.00 C ATOM 678 C PHE A 46 10.526 -1.772 10.058 1.00 0.00 C ATOM 679 O PHE A 46 9.339 -2.027 10.267 1.00 0.00 O ATOM 680 CB PHE A 46 10.146 0.674 10.423 1.00 0.00 C ATOM 681 CG PHE A 46 10.698 2.008 10.838 1.00 0.00 C ATOM 682 CD1 PHE A 46 10.701 2.386 12.171 1.00 0.00 C ATOM 683 CD2 PHE A 46 11.215 2.882 9.897 1.00 0.00 C ATOM 684 CE1 PHE A 46 11.208 3.614 12.556 1.00 0.00 C ATOM 685 CE2 PHE A 46 11.724 4.110 10.275 1.00 0.00 C ATOM 686 CZ PHE A 46 11.721 4.476 11.607 1.00 0.00 C ATOM 0 H PHE A 46 12.237 -0.006 8.831 1.00 0.00 H new ATOM 0 HA PHE A 46 11.406 -0.596 11.613 1.00 0.00 H new ATOM 0 HB2 PHE A 46 9.815 0.733 9.386 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.266 0.450 11.026 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.303 1.715 12.918 1.00 0.00 H new ATOM 0 HD2 PHE A 46 11.221 2.601 8.854 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.203 3.898 13.598 1.00 0.00 H new ATOM 0 HE2 PHE A 46 12.123 4.782 9.530 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.119 5.435 11.906 1.00 0.00 H new ATOM 696 N LYS A 47 11.335 -2.590 9.393 1.00 0.00 N ATOM 697 CA LYS A 47 10.866 -3.863 8.860 1.00 0.00 C ATOM 698 C LYS A 47 9.417 -3.757 8.394 1.00 0.00 C ATOM 699 O LYS A 47 8.603 -4.641 8.664 1.00 0.00 O ATOM 700 CB LYS A 47 10.993 -4.960 9.918 1.00 0.00 C ATOM 701 CG LYS A 47 12.430 -5.273 10.300 1.00 0.00 C ATOM 702 CD LYS A 47 13.095 -6.177 9.275 1.00 0.00 C ATOM 703 CE LYS A 47 14.262 -6.942 9.881 1.00 0.00 C ATOM 704 NZ LYS A 47 13.949 -8.389 10.049 1.00 0.00 N ATOM 0 H LYS A 47 12.319 -2.394 9.210 1.00 0.00 H new ATOM 0 HA LYS A 47 11.487 -4.120 8.002 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.446 -4.657 10.811 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.519 -5.868 9.546 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.994 -4.345 10.388 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.451 -5.753 11.278 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.363 -6.881 8.880 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.448 -5.579 8.435 1.00 0.00 H new ATOM 0 HE2 LYS A 47 15.139 -6.832 9.243 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.516 -6.510 10.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.784 -8.956 9.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.688 -8.575 11.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.156 -8.647 9.427 1.00 0.00 H new ATOM 718 N ARG A 48 9.104 -2.673 7.693 1.00 0.00 N ATOM 719 CA ARG A 48 7.753 -2.453 7.189 1.00 0.00 C ATOM 720 C ARG A 48 7.739 -2.433 5.663 1.00 0.00 C ATOM 721 O ARG A 48 8.788 -2.472 5.022 1.00 0.00 O ATOM 722 CB ARG A 48 7.191 -1.138 7.734 1.00 0.00 C ATOM 723 CG ARG A 48 6.284 -1.317 8.940 1.00 0.00 C ATOM 724 CD ARG A 48 5.574 -0.021 9.300 1.00 0.00 C ATOM 725 NE ARG A 48 6.494 0.975 9.841 1.00 0.00 N ATOM 726 CZ ARG A 48 6.169 2.249 10.032 1.00 0.00 C ATOM 727 NH1 ARG A 48 4.953 2.678 9.728 1.00 0.00 N ATOM 728 NH2 ARG A 48 7.063 3.095 10.530 1.00 0.00 N ATOM 0 H ARG A 48 9.767 -1.933 7.461 1.00 0.00 H new ATOM 0 HA ARG A 48 7.125 -3.277 7.529 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.019 -0.484 8.007 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.635 -0.635 6.943 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.546 -2.091 8.730 1.00 0.00 H new ATOM 0 HG3 ARG A 48 6.872 -1.660 9.791 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.084 0.382 8.414 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.792 -0.227 10.031 1.00 0.00 H new ATOM 0 HE ARG A 48 7.438 0.676 10.086 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.264 2.030 9.346 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.706 3.657 9.876 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.000 2.767 10.766 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.813 4.073 10.677 1.00 0.00 H new ATOM 742 N VAL A 49 6.542 -2.370 5.089 1.00 0.00 N ATOM 743 CA VAL A 49 6.390 -2.343 3.639 1.00 0.00 C ATOM 744 C VAL A 49 5.227 -1.447 3.224 1.00 0.00 C ATOM 745 O VAL A 49 4.062 -1.815 3.377 1.00 0.00 O ATOM 746 CB VAL A 49 6.161 -3.757 3.073 1.00 0.00 C ATOM 747 CG1 VAL A 49 5.978 -3.704 1.564 1.00 0.00 C ATOM 748 CG2 VAL A 49 7.318 -4.672 3.446 1.00 0.00 C ATOM 0 H VAL A 49 5.663 -2.337 5.606 1.00 0.00 H new ATOM 0 HA VAL A 49 7.318 -1.941 3.231 1.00 0.00 H new ATOM 0 HB VAL A 49 5.250 -4.163 3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.817 -4.712 1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.115 -3.083 1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.870 -3.279 1.104 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.141 -5.667 3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.245 -4.272 3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.398 -4.733 4.531 1.00 0.00 H new ATOM 758 N ARG A 50 5.552 -0.271 2.700 1.00 0.00 N ATOM 759 CA ARG A 50 4.535 0.678 2.263 1.00 0.00 C ATOM 760 C ARG A 50 4.054 0.350 0.852 1.00 0.00 C ATOM 761 O ARG A 50 4.805 0.483 -0.116 1.00 0.00 O ATOM 762 CB ARG A 50 5.085 2.104 2.308 1.00 0.00 C ATOM 763 CG ARG A 50 4.102 3.120 2.869 1.00 0.00 C ATOM 764 CD ARG A 50 4.097 4.401 2.051 1.00 0.00 C ATOM 765 NE ARG A 50 4.277 5.585 2.887 1.00 0.00 N ATOM 766 CZ ARG A 50 4.025 6.821 2.474 1.00 0.00 C ATOM 767 NH1 ARG A 50 3.583 7.036 1.242 1.00 0.00 N ATOM 768 NH2 ARG A 50 4.214 7.848 3.294 1.00 0.00 N ATOM 0 H ARG A 50 6.512 0.048 2.567 1.00 0.00 H new ATOM 0 HA ARG A 50 3.687 0.602 2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.991 2.116 2.913 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.371 2.406 1.300 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.100 2.691 2.881 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.363 3.348 3.902 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.892 4.359 1.306 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.155 4.481 1.508 1.00 0.00 H new ATOM 0 HE ARG A 50 4.615 5.455 3.841 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.436 6.250 0.609 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.390 7.987 0.928 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.553 7.688 4.242 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.020 8.797 2.975 1.00 0.00 H new ATOM 782 N ILE A 51 2.802 -0.080 0.745 1.00 0.00 N ATOM 783 CA ILE A 51 2.222 -0.426 -0.547 1.00 0.00 C ATOM 784 C ILE A 51 1.168 0.592 -0.967 1.00 0.00 C ATOM 785 O ILE A 51 0.056 0.602 -0.441 1.00 0.00 O ATOM 786 CB ILE A 51 1.586 -1.827 -0.522 1.00 0.00 C ATOM 787 CG1 ILE A 51 2.609 -2.869 -0.067 1.00 0.00 C ATOM 788 CG2 ILE A 51 1.032 -2.184 -1.893 1.00 0.00 C ATOM 789 CD1 ILE A 51 2.157 -3.682 1.125 1.00 0.00 C ATOM 0 H ILE A 51 2.170 -0.197 1.537 1.00 0.00 H new ATOM 0 HA ILE A 51 3.037 -0.420 -1.270 1.00 0.00 H new ATOM 0 HB ILE A 51 0.761 -1.821 0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.821 -3.543 -0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.543 -2.365 0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.586 -3.178 -1.858 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.273 -1.456 -2.180 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.839 -2.175 -2.625 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.933 -4.400 1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.972 -3.018 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.240 -4.215 0.875 1.00 0.00 H new ATOM 801 N ASN A 52 1.525 1.447 -1.921 1.00 0.00 N ATOM 802 CA ASN A 52 0.609 2.469 -2.413 1.00 0.00 C ATOM 803 C ASN A 52 -0.124 1.988 -3.663 1.00 0.00 C ATOM 804 O ASN A 52 0.496 1.506 -4.611 1.00 0.00 O ATOM 805 CB ASN A 52 1.369 3.760 -2.721 1.00 0.00 C ATOM 806 CG ASN A 52 2.495 4.015 -1.738 1.00 0.00 C ATOM 807 OD1 ASN A 52 2.653 3.291 -0.755 1.00 0.00 O ATOM 808 ND2 ASN A 52 3.287 5.049 -2.000 1.00 0.00 N ATOM 0 H ASN A 52 2.442 1.452 -2.368 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.127 2.665 -1.634 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.776 3.707 -3.731 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.675 4.601 -2.701 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.062 5.269 -1.375 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.120 5.623 -2.826 1.00 0.00 H new ATOM 815 N PHE A 53 -1.445 2.122 -3.655 1.00 0.00 N ATOM 816 CA PHE A 53 -2.263 1.700 -4.788 1.00 0.00 C ATOM 817 C PHE A 53 -2.753 2.906 -5.583 1.00 0.00 C ATOM 818 O PHE A 53 -2.510 4.052 -5.207 1.00 0.00 O ATOM 819 CB PHE A 53 -3.456 0.874 -4.302 1.00 0.00 C ATOM 820 CG PHE A 53 -3.066 -0.303 -3.454 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.427 -0.116 -2.240 1.00 0.00 C ATOM 822 CD2 PHE A 53 -3.339 -1.595 -3.872 1.00 0.00 C ATOM 823 CE1 PHE A 53 -2.066 -1.197 -1.457 1.00 0.00 C ATOM 824 CE2 PHE A 53 -2.982 -2.679 -3.093 1.00 0.00 C ATOM 825 CZ PHE A 53 -2.344 -2.480 -1.885 1.00 0.00 C ATOM 0 H PHE A 53 -1.973 2.519 -2.878 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.646 1.084 -5.442 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.124 1.518 -3.730 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.018 0.519 -5.166 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.208 0.886 -1.901 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.836 -1.757 -4.817 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.567 -1.038 -0.512 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.202 -3.682 -3.429 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.063 -3.326 -1.276 1.00 0.00 H new ATOM 835 N SER A 54 -3.446 2.637 -6.686 1.00 0.00 N ATOM 836 CA SER A 54 -3.968 3.700 -7.538 1.00 0.00 C ATOM 837 C SER A 54 -5.428 3.996 -7.204 1.00 0.00 C ATOM 838 O SER A 54 -5.947 5.062 -7.533 1.00 0.00 O ATOM 839 CB SER A 54 -3.839 3.310 -9.011 1.00 0.00 C ATOM 840 OG SER A 54 -4.736 2.265 -9.343 1.00 0.00 O ATOM 0 H SER A 54 -3.659 1.693 -7.010 1.00 0.00 H new ATOM 0 HA SER A 54 -3.382 4.601 -7.355 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.039 4.178 -9.639 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.816 2.995 -9.219 1.00 0.00 H new ATOM 0 HG SER A 54 -4.511 1.464 -8.825 1.00 0.00 H new ATOM 846 N ASN A 55 -6.083 3.042 -6.551 1.00 0.00 N ATOM 847 CA ASN A 55 -7.484 3.199 -6.174 1.00 0.00 C ATOM 848 C ASN A 55 -7.733 2.656 -4.770 1.00 0.00 C ATOM 849 O ASN A 55 -7.137 1.666 -4.345 1.00 0.00 O ATOM 850 CB ASN A 55 -8.387 2.481 -7.178 1.00 0.00 C ATOM 851 CG ASN A 55 -8.025 1.018 -7.339 1.00 0.00 C ATOM 852 OD1 ASN A 55 -7.165 0.497 -6.628 1.00 0.00 O ATOM 853 ND2 ASN A 55 -8.681 0.345 -8.278 1.00 0.00 N ATOM 0 H ASN A 55 -5.668 2.153 -6.272 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.719 4.263 -6.180 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.424 2.562 -6.852 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.317 2.978 -8.145 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.480 -0.643 -8.432 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.386 0.816 -8.845 1.00 0.00 H new ATOM 860 N PRO A 56 -8.634 3.319 -4.031 1.00 0.00 N ATOM 861 CA PRO A 56 -8.985 2.920 -2.664 1.00 0.00 C ATOM 862 C PRO A 56 -9.767 1.613 -2.623 1.00 0.00 C ATOM 863 O PRO A 56 -9.883 0.979 -1.574 1.00 0.00 O ATOM 864 CB PRO A 56 -9.853 4.080 -2.168 1.00 0.00 C ATOM 865 CG PRO A 56 -10.428 4.678 -3.405 1.00 0.00 C ATOM 866 CD PRO A 56 -9.383 4.507 -4.472 1.00 0.00 C ATOM 0 HA PRO A 56 -8.101 2.739 -2.053 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.637 3.729 -1.497 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.261 4.809 -1.614 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.356 4.179 -3.684 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.664 5.732 -3.256 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.832 4.357 -5.454 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.739 5.383 -4.547 1.00 0.00 H new ATOM 874 N LEU A 57 -10.303 1.214 -3.772 1.00 0.00 N ATOM 875 CA LEU A 57 -11.075 -0.020 -3.867 1.00 0.00 C ATOM 876 C LEU A 57 -10.198 -1.235 -3.585 1.00 0.00 C ATOM 877 O LEU A 57 -10.420 -1.963 -2.616 1.00 0.00 O ATOM 878 CB LEU A 57 -11.705 -0.144 -5.256 1.00 0.00 C ATOM 879 CG LEU A 57 -12.677 0.967 -5.654 1.00 0.00 C ATOM 880 CD1 LEU A 57 -13.062 0.840 -7.119 1.00 0.00 C ATOM 881 CD2 LEU A 57 -13.916 0.934 -4.771 1.00 0.00 C ATOM 0 H LEU A 57 -10.217 1.727 -4.650 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.865 0.016 -3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.904 -0.180 -5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.232 -1.097 -5.310 1.00 0.00 H new ATOM 0 HG LEU A 57 -12.179 1.926 -5.512 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.754 1.639 -7.384 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -12.168 0.914 -7.738 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -13.540 -0.125 -7.287 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -14.596 1.732 -5.069 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -14.415 -0.029 -4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -13.625 1.075 -3.730 1.00 0.00 H new ATOM 893 N SER A 58 -9.198 -1.448 -4.435 1.00 0.00 N ATOM 894 CA SER A 58 -8.288 -2.575 -4.277 1.00 0.00 C ATOM 895 C SER A 58 -7.654 -2.573 -2.889 1.00 0.00 C ATOM 896 O SER A 58 -7.615 -3.599 -2.210 1.00 0.00 O ATOM 897 CB SER A 58 -7.196 -2.530 -5.348 1.00 0.00 C ATOM 898 OG SER A 58 -7.081 -3.778 -6.012 1.00 0.00 O ATOM 0 H SER A 58 -8.998 -0.854 -5.240 1.00 0.00 H new ATOM 0 HA SER A 58 -8.864 -3.493 -4.393 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.425 -1.749 -6.073 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.242 -2.269 -4.889 1.00 0.00 H new ATOM 0 HG SER A 58 -6.497 -3.681 -6.793 1.00 0.00 H new ATOM 904 N ALA A 59 -7.160 -1.411 -2.474 1.00 0.00 N ATOM 905 CA ALA A 59 -6.530 -1.273 -1.166 1.00 0.00 C ATOM 906 C ALA A 59 -7.200 -2.175 -0.136 1.00 0.00 C ATOM 907 O ALA A 59 -6.542 -2.711 0.754 1.00 0.00 O ATOM 908 CB ALA A 59 -6.576 0.179 -0.710 1.00 0.00 C ATOM 0 H ALA A 59 -7.184 -0.552 -3.024 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.489 -1.582 -1.256 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.103 0.268 0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.045 0.803 -1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.613 0.506 -0.642 1.00 0.00 H new ATOM 914 N ALA A 60 -8.513 -2.336 -0.262 1.00 0.00 N ATOM 915 CA ALA A 60 -9.272 -3.176 0.657 1.00 0.00 C ATOM 916 C ALA A 60 -9.022 -4.655 0.384 1.00 0.00 C ATOM 917 O ALA A 60 -8.588 -5.394 1.268 1.00 0.00 O ATOM 918 CB ALA A 60 -10.756 -2.861 0.555 1.00 0.00 C ATOM 0 H ALA A 60 -9.074 -1.896 -0.992 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.935 -2.960 1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.311 -3.495 1.246 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.924 -1.814 0.808 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.098 -3.047 -0.463 1.00 0.00 H new ATOM 924 N ASP A 61 -9.301 -5.080 -0.842 1.00 0.00 N ATOM 925 CA ASP A 61 -9.105 -6.472 -1.232 1.00 0.00 C ATOM 926 C ASP A 61 -7.677 -6.922 -0.942 1.00 0.00 C ATOM 927 O ASP A 61 -7.404 -8.116 -0.828 1.00 0.00 O ATOM 928 CB ASP A 61 -9.421 -6.656 -2.717 1.00 0.00 C ATOM 929 CG ASP A 61 -10.648 -7.519 -2.946 1.00 0.00 C ATOM 930 OD1 ASP A 61 -10.883 -8.441 -2.137 1.00 0.00 O ATOM 931 OD2 ASP A 61 -11.370 -7.272 -3.934 1.00 0.00 O ATOM 0 H ASP A 61 -9.664 -4.481 -1.584 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.786 -7.088 -0.645 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.576 -5.680 -3.176 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.564 -7.109 -3.214 1.00 0.00 H new ATOM 936 N ALA A 62 -6.771 -5.958 -0.826 1.00 0.00 N ATOM 937 CA ALA A 62 -5.370 -6.255 -0.549 1.00 0.00 C ATOM 938 C ALA A 62 -5.166 -6.617 0.918 1.00 0.00 C ATOM 939 O ALA A 62 -4.228 -7.335 1.265 1.00 0.00 O ATOM 940 CB ALA A 62 -4.493 -5.072 -0.930 1.00 0.00 C ATOM 0 H ALA A 62 -6.981 -4.964 -0.919 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.081 -7.115 -1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.450 -5.309 -0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.608 -4.861 -1.993 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.791 -4.197 -0.353 1.00 0.00 H new ATOM 946 N ARG A 63 -6.049 -6.114 1.775 1.00 0.00 N ATOM 947 CA ARG A 63 -5.964 -6.384 3.205 1.00 0.00 C ATOM 948 C ARG A 63 -6.800 -7.604 3.580 1.00 0.00 C ATOM 949 O ARG A 63 -6.428 -8.377 4.463 1.00 0.00 O ATOM 950 CB ARG A 63 -6.433 -5.166 4.004 1.00 0.00 C ATOM 951 CG ARG A 63 -5.970 -5.171 5.451 1.00 0.00 C ATOM 952 CD ARG A 63 -6.134 -3.803 6.093 1.00 0.00 C ATOM 953 NE ARG A 63 -7.076 -3.832 7.210 1.00 0.00 N ATOM 954 CZ ARG A 63 -6.736 -4.173 8.448 1.00 0.00 C ATOM 955 NH1 ARG A 63 -5.484 -4.511 8.727 1.00 0.00 N ATOM 956 NH2 ARG A 63 -7.648 -4.176 9.411 1.00 0.00 N ATOM 0 H ARG A 63 -6.831 -5.518 1.504 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.922 -6.591 3.448 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.068 -4.261 3.518 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.522 -5.124 3.980 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.541 -5.909 6.014 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.924 -5.473 5.498 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.165 -3.449 6.445 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.481 -3.090 5.345 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.047 -3.577 7.029 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.779 -4.510 7.990 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.226 -4.772 9.679 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.612 -3.916 9.201 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.386 -4.438 10.361 1.00 0.00 H new ATOM 970 N LEU A 64 -7.931 -7.770 2.903 1.00 0.00 N ATOM 971 CA LEU A 64 -8.822 -8.895 3.166 1.00 0.00 C ATOM 972 C LEU A 64 -8.177 -10.210 2.738 1.00 0.00 C ATOM 973 O LEU A 64 -8.311 -11.228 3.416 1.00 0.00 O ATOM 974 CB LEU A 64 -10.149 -8.703 2.431 1.00 0.00 C ATOM 975 CG LEU A 64 -10.600 -9.864 1.544 1.00 0.00 C ATOM 976 CD1 LEU A 64 -11.163 -10.994 2.390 1.00 0.00 C ATOM 977 CD2 LEU A 64 -11.630 -9.391 0.528 1.00 0.00 C ATOM 0 H LEU A 64 -8.253 -7.140 2.168 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.011 -8.935 4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.927 -8.514 3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.073 -7.808 1.813 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.732 -10.241 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.479 -11.811 1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.396 -11.351 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.019 -10.631 2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.939 -10.231 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.497 -8.987 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.192 -8.616 -0.100 1.00 0.00 H new ATOM 989 N ARG A 65 -7.475 -10.179 1.610 1.00 0.00 N ATOM 990 CA ARG A 65 -6.808 -11.369 1.092 1.00 0.00 C ATOM 991 C ARG A 65 -5.475 -11.595 1.798 1.00 0.00 C ATOM 992 O ARG A 65 -4.879 -12.668 1.695 1.00 0.00 O ATOM 993 CB ARG A 65 -6.582 -11.237 -0.415 1.00 0.00 C ATOM 994 CG ARG A 65 -7.760 -11.711 -1.251 1.00 0.00 C ATOM 995 CD ARG A 65 -7.314 -12.652 -2.359 1.00 0.00 C ATOM 996 NE ARG A 65 -8.447 -13.287 -3.026 1.00 0.00 N ATOM 997 CZ ARG A 65 -8.320 -14.185 -3.998 1.00 0.00 C ATOM 998 NH1 ARG A 65 -7.115 -14.549 -4.414 1.00 0.00 N ATOM 999 NH2 ARG A 65 -9.400 -14.718 -4.556 1.00 0.00 N ATOM 0 H ARG A 65 -7.353 -9.344 1.037 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.451 -12.228 1.283 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.375 -10.194 -0.653 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.697 -11.809 -0.693 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.482 -12.218 -0.610 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.269 -10.851 -1.686 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.727 -12.098 -3.091 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.662 -13.420 -1.942 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.388 -13.027 -2.730 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.283 -14.140 -3.988 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.020 -15.238 -5.160 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.328 -14.439 -4.239 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.302 -15.407 -5.302 1.00 0.00 H new ATOM 1013 N LEU A 66 -5.012 -10.578 2.518 1.00 0.00 N ATOM 1014 CA LEU A 66 -3.748 -10.666 3.242 1.00 0.00 C ATOM 1015 C LEU A 66 -3.961 -10.443 4.736 1.00 0.00 C ATOM 1016 O LEU A 66 -5.012 -10.780 5.281 1.00 0.00 O ATOM 1017 CB LEU A 66 -2.754 -9.640 2.698 1.00 0.00 C ATOM 1018 CG LEU A 66 -2.672 -9.527 1.175 1.00 0.00 C ATOM 1019 CD1 LEU A 66 -1.862 -8.304 0.774 1.00 0.00 C ATOM 1020 CD2 LEU A 66 -2.066 -10.788 0.579 1.00 0.00 C ATOM 0 H LEU A 66 -5.493 -9.684 2.616 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.342 -11.667 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.015 -8.662 3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.763 -9.887 3.078 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.683 -9.413 0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.814 -8.240 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.338 -7.407 1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.853 -8.388 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.015 -10.690 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.062 -10.933 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.686 -11.647 0.837 1.00 0.00 H new ATOM 1032 N HIS A 67 -2.956 -9.871 5.393 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.035 -9.599 6.824 1.00 0.00 C ATOM 1034 C HIS A 67 -2.639 -10.832 7.633 1.00 0.00 C ATOM 1035 O HIS A 67 -1.753 -11.589 7.236 1.00 0.00 O ATOM 1036 CB HIS A 67 -4.448 -9.158 7.205 1.00 0.00 C ATOM 1037 CG HIS A 67 -4.490 -8.239 8.387 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -3.356 -7.750 9.000 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -5.539 -7.720 9.067 1.00 0.00 C ATOM 1040 CE1 HIS A 67 -3.706 -6.971 10.008 1.00 0.00 C ATOM 1041 NE2 HIS A 67 -5.025 -6.935 10.070 1.00 0.00 N ATOM 0 H HIS A 67 -2.078 -9.587 4.957 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.338 -8.794 7.054 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.907 -8.660 6.351 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.050 -10.041 7.420 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -6.585 -7.891 8.860 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.028 -6.452 10.669 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.573 -6.410 10.752 1.00 0.00 H new ATOM 1049 N LYS A 68 -3.301 -11.026 8.767 1.00 0.00 N ATOM 1050 CA LYS A 68 -3.020 -12.165 9.633 1.00 0.00 C ATOM 1051 C LYS A 68 -2.654 -13.396 8.809 1.00 0.00 C ATOM 1052 O LYS A 68 -1.871 -14.240 9.249 1.00 0.00 O ATOM 1053 CB LYS A 68 -4.231 -12.472 10.517 1.00 0.00 C ATOM 1054 CG LYS A 68 -4.464 -11.442 11.608 1.00 0.00 C ATOM 1055 CD LYS A 68 -5.857 -10.841 11.521 1.00 0.00 C ATOM 1056 CE LYS A 68 -6.851 -11.615 12.373 1.00 0.00 C ATOM 1057 NZ LYS A 68 -7.722 -10.707 13.172 1.00 0.00 N ATOM 0 H LYS A 68 -4.037 -10.409 9.109 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.172 -11.907 10.267 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.121 -12.533 9.891 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.096 -13.451 10.976 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.328 -11.908 12.584 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.720 -10.650 11.527 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.827 -9.802 11.848 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.190 -10.839 10.483 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.471 -12.240 11.730 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.311 -12.284 13.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.385 -11.273 13.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.133 -10.128 13.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.256 -10.086 12.531 1.00 0.00 H new ATOM 1071 N THR A 69 -3.223 -13.492 7.612 1.00 0.00 N ATOM 1072 CA THR A 69 -2.956 -14.620 6.727 1.00 0.00 C ATOM 1073 C THR A 69 -1.537 -15.143 6.916 1.00 0.00 C ATOM 1074 O THR A 69 -0.576 -14.375 6.892 1.00 0.00 O ATOM 1075 CB THR A 69 -3.158 -14.234 5.250 1.00 0.00 C ATOM 1076 OG1 THR A 69 -2.192 -13.249 4.865 1.00 0.00 O ATOM 1077 CG2 THR A 69 -4.560 -13.694 5.018 1.00 0.00 C ATOM 0 H THR A 69 -3.872 -12.802 7.232 1.00 0.00 H new ATOM 0 HA THR A 69 -3.666 -15.404 6.990 1.00 0.00 H new ATOM 0 HB THR A 69 -3.026 -15.129 4.642 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.017 -12.649 5.620 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.678 -13.428 3.968 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.292 -14.456 5.284 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.716 -12.810 5.636 1.00 0.00 H new ATOM 1085 N GLU A 70 -1.413 -16.453 7.103 1.00 0.00 N ATOM 1086 CA GLU A 70 -0.110 -17.077 7.295 1.00 0.00 C ATOM 1087 C GLU A 70 0.696 -17.066 5.999 1.00 0.00 C ATOM 1088 O GLU A 70 0.631 -18.006 5.207 1.00 0.00 O ATOM 1089 CB GLU A 70 -0.276 -18.514 7.793 1.00 0.00 C ATOM 1090 CG GLU A 70 0.075 -18.696 9.259 1.00 0.00 C ATOM 1091 CD GLU A 70 -0.355 -20.045 9.801 1.00 0.00 C ATOM 1092 OE1 GLU A 70 -1.437 -20.526 9.403 1.00 0.00 O ATOM 1093 OE2 GLU A 70 0.390 -20.619 10.621 1.00 0.00 O ATOM 0 H GLU A 70 -2.199 -17.102 7.126 1.00 0.00 H new ATOM 0 HA GLU A 70 0.433 -16.501 8.044 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.308 -18.827 7.634 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.353 -19.172 7.193 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.152 -18.584 9.387 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.399 -17.907 9.842 1.00 0.00 H new ATOM 1100 N PHE A 71 1.453 -15.994 5.789 1.00 0.00 N ATOM 1101 CA PHE A 71 2.270 -15.859 4.589 1.00 0.00 C ATOM 1102 C PHE A 71 3.651 -16.474 4.798 1.00 0.00 C ATOM 1103 O PHE A 71 4.432 -16.008 5.628 1.00 0.00 O ATOM 1104 CB PHE A 71 2.409 -14.384 4.205 1.00 0.00 C ATOM 1105 CG PHE A 71 3.546 -14.115 3.260 1.00 0.00 C ATOM 1106 CD1 PHE A 71 4.836 -13.948 3.736 1.00 0.00 C ATOM 1107 CD2 PHE A 71 3.323 -14.032 1.895 1.00 0.00 C ATOM 1108 CE1 PHE A 71 5.882 -13.699 2.868 1.00 0.00 C ATOM 1109 CE2 PHE A 71 4.366 -13.784 1.022 1.00 0.00 C ATOM 1110 CZ PHE A 71 5.648 -13.619 1.509 1.00 0.00 C ATOM 0 H PHE A 71 1.518 -15.207 6.434 1.00 0.00 H new ATOM 0 HA PHE A 71 1.773 -16.393 3.779 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.479 -14.047 3.747 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.551 -13.793 5.110 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.026 -14.013 4.797 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.323 -14.163 1.509 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.883 -13.567 3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 71 4.179 -13.719 -0.040 1.00 0.00 H new ATOM 0 HZ PHE A 71 6.465 -13.428 0.829 1.00 0.00 H new ATOM 1120 N LEU A 72 3.943 -17.525 4.040 1.00 0.00 N ATOM 1121 CA LEU A 72 5.230 -18.206 4.142 1.00 0.00 C ATOM 1122 C LEU A 72 5.488 -18.672 5.572 1.00 0.00 C ATOM 1123 O LEU A 72 6.626 -18.673 6.038 1.00 0.00 O ATOM 1124 CB LEU A 72 6.357 -17.281 3.683 1.00 0.00 C ATOM 1125 CG LEU A 72 6.619 -17.237 2.177 1.00 0.00 C ATOM 1126 CD1 LEU A 72 7.155 -18.576 1.690 1.00 0.00 C ATOM 1127 CD2 LEU A 72 5.351 -16.864 1.425 1.00 0.00 C ATOM 0 H LEU A 72 3.308 -17.924 3.349 1.00 0.00 H new ATOM 0 HA LEU A 72 5.202 -19.082 3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.131 -16.270 4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.276 -17.586 4.183 1.00 0.00 H new ATOM 0 HG LEU A 72 7.371 -16.473 1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.336 -18.527 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.088 -18.803 2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.425 -19.358 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.557 -16.838 0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.577 -17.604 1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.009 -15.882 1.753 1.00 0.00 H new ATOM 1139 N GLY A 73 4.422 -19.068 6.261 1.00 0.00 N ATOM 1140 CA GLY A 73 4.555 -19.533 7.629 1.00 0.00 C ATOM 1141 C GLY A 73 4.835 -18.403 8.600 1.00 0.00 C ATOM 1142 O GLY A 73 5.219 -18.639 9.746 1.00 0.00 O ATOM 0 H GLY A 73 3.469 -19.075 5.896 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.640 -20.045 7.926 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.362 -20.264 7.684 1.00 0.00 H new ATOM 1146 N LYS A 74 4.644 -17.170 8.141 1.00 0.00 N ATOM 1147 CA LYS A 74 4.879 -15.998 8.977 1.00 0.00 C ATOM 1148 C LYS A 74 3.701 -15.031 8.899 1.00 0.00 C ATOM 1149 O LYS A 74 3.459 -14.419 7.859 1.00 0.00 O ATOM 1150 CB LYS A 74 6.165 -15.289 8.548 1.00 0.00 C ATOM 1151 CG LYS A 74 7.412 -15.832 9.221 1.00 0.00 C ATOM 1152 CD LYS A 74 7.524 -15.353 10.658 1.00 0.00 C ATOM 1153 CE LYS A 74 8.374 -16.296 11.497 1.00 0.00 C ATOM 1154 NZ LYS A 74 7.855 -16.421 12.888 1.00 0.00 N ATOM 0 H LYS A 74 4.327 -16.957 7.195 1.00 0.00 H new ATOM 0 HA LYS A 74 4.984 -16.333 10.009 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.277 -15.380 7.468 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.076 -14.226 8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.392 -16.922 9.200 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.294 -15.518 8.662 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.961 -14.354 10.677 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.528 -15.274 11.095 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.396 -17.280 11.028 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.401 -15.932 11.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.461 -17.072 13.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.857 -15.487 13.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.884 -16.792 12.864 1.00 0.00 H new ATOM 1168 N GLU A 75 2.976 -14.897 10.005 1.00 0.00 N ATOM 1169 CA GLU A 75 1.826 -14.003 10.060 1.00 0.00 C ATOM 1170 C GLU A 75 2.238 -12.567 9.753 1.00 0.00 C ATOM 1171 O GLU A 75 3.139 -12.019 10.389 1.00 0.00 O ATOM 1172 CB GLU A 75 1.164 -14.072 11.437 1.00 0.00 C ATOM 1173 CG GLU A 75 0.070 -13.038 11.640 1.00 0.00 C ATOM 1174 CD GLU A 75 -0.159 -12.708 13.102 1.00 0.00 C ATOM 1175 OE1 GLU A 75 0.831 -12.427 13.809 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -1.330 -12.733 13.539 1.00 0.00 O ATOM 0 H GLU A 75 3.165 -15.396 10.874 1.00 0.00 H new ATOM 0 HA GLU A 75 1.110 -14.327 9.304 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.742 -15.067 11.578 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.926 -13.937 12.204 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.333 -12.127 11.103 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.859 -13.408 11.205 1.00 0.00 H new ATOM 1183 N MET A 76 1.573 -11.962 8.774 1.00 0.00 N ATOM 1184 CA MET A 76 1.870 -10.589 8.383 1.00 0.00 C ATOM 1185 C MET A 76 0.762 -9.643 8.836 1.00 0.00 C ATOM 1186 O MET A 76 -0.415 -10.003 8.832 1.00 0.00 O ATOM 1187 CB MET A 76 2.049 -10.495 6.866 1.00 0.00 C ATOM 1188 CG MET A 76 2.131 -9.068 6.351 1.00 0.00 C ATOM 1189 SD MET A 76 0.772 -8.649 5.244 1.00 0.00 S ATOM 1190 CE MET A 76 1.074 -9.785 3.893 1.00 0.00 C ATOM 0 H MET A 76 0.825 -12.401 8.237 1.00 0.00 H new ATOM 0 HA MET A 76 2.799 -10.292 8.870 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.956 -11.028 6.582 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.216 -11.001 6.378 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.131 -8.380 7.197 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.077 -8.929 5.827 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.625 -9.393 2.981 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.148 -9.901 3.748 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.633 -10.754 4.127 1.00 0.00 H new ATOM 1200 N LYS A 77 1.146 -8.432 9.225 1.00 0.00 N ATOM 1201 CA LYS A 77 0.186 -7.434 9.680 1.00 0.00 C ATOM 1202 C LYS A 77 0.011 -6.333 8.638 1.00 0.00 C ATOM 1203 O LYS A 77 0.841 -6.175 7.742 1.00 0.00 O ATOM 1204 CB LYS A 77 0.642 -6.826 11.008 1.00 0.00 C ATOM 1205 CG LYS A 77 0.108 -7.559 12.227 1.00 0.00 C ATOM 1206 CD LYS A 77 0.448 -6.823 13.513 1.00 0.00 C ATOM 1207 CE LYS A 77 0.816 -7.790 14.627 1.00 0.00 C ATOM 1208 NZ LYS A 77 -0.169 -7.750 15.744 1.00 0.00 N ATOM 0 H LYS A 77 2.116 -8.118 9.234 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.774 -7.929 9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.731 -6.826 11.043 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.321 -5.785 11.051 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.973 -7.667 12.143 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.527 -8.565 12.261 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.278 -6.140 13.334 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.403 -6.217 13.822 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.870 -8.802 14.226 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.807 -7.545 15.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.117 -8.423 16.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.202 -6.790 16.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.111 -8.009 15.386 1.00 0.00 H new ATOM 1222 N LEU A 78 -1.072 -5.574 8.762 1.00 0.00 N ATOM 1223 CA LEU A 78 -1.355 -4.486 7.832 1.00 0.00 C ATOM 1224 C LEU A 78 -2.105 -3.356 8.528 1.00 0.00 C ATOM 1225 O LEU A 78 -2.921 -3.595 9.420 1.00 0.00 O ATOM 1226 CB LEU A 78 -2.174 -5.003 6.647 1.00 0.00 C ATOM 1227 CG LEU A 78 -1.387 -5.717 5.548 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -2.193 -6.875 4.980 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -1.003 -4.741 4.445 1.00 0.00 C ATOM 0 H LEU A 78 -1.769 -5.692 9.497 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.405 -4.096 7.467 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.932 -5.688 7.026 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.701 -4.160 6.200 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.473 -6.117 5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.617 -7.371 4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.416 -7.587 5.774 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.125 -6.498 4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.443 -5.268 3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.905 -4.310 4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.385 -3.946 4.862 1.00 0.00 H new ATOM 1241 N TYR A 79 -1.825 -2.125 8.115 1.00 0.00 N ATOM 1242 CA TYR A 79 -2.473 -0.957 8.700 1.00 0.00 C ATOM 1243 C TYR A 79 -2.849 0.055 7.621 1.00 0.00 C ATOM 1244 O TYR A 79 -2.049 0.364 6.737 1.00 0.00 O ATOM 1245 CB TYR A 79 -1.554 -0.300 9.731 1.00 0.00 C ATOM 1246 CG TYR A 79 -1.360 -1.127 10.983 1.00 0.00 C ATOM 1247 CD1 TYR A 79 -0.590 -2.284 10.961 1.00 0.00 C ATOM 1248 CD2 TYR A 79 -1.946 -0.752 12.185 1.00 0.00 C ATOM 1249 CE1 TYR A 79 -0.411 -3.043 12.101 1.00 0.00 C ATOM 1250 CE2 TYR A 79 -1.770 -1.504 13.330 1.00 0.00 C ATOM 1251 CZ TYR A 79 -1.002 -2.648 13.284 1.00 0.00 C ATOM 1252 OH TYR A 79 -0.827 -3.401 14.422 1.00 0.00 O ATOM 0 H TYR A 79 -1.154 -1.910 7.378 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.385 -1.290 9.195 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.582 -0.115 9.274 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -1.966 0.671 10.007 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -0.124 -2.595 10.037 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.550 0.143 12.225 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.188 -3.941 12.067 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.232 -1.197 14.257 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.308 -2.984 15.167 1.00 0.00 H new ATOM 1262 N PHE A 80 -4.073 0.566 7.700 1.00 0.00 N ATOM 1263 CA PHE A 80 -4.557 1.543 6.731 1.00 0.00 C ATOM 1264 C PHE A 80 -3.747 2.835 6.810 1.00 0.00 C ATOM 1265 O PHE A 80 -4.008 3.691 7.654 1.00 0.00 O ATOM 1266 CB PHE A 80 -6.038 1.840 6.971 1.00 0.00 C ATOM 1267 CG PHE A 80 -6.958 1.082 6.057 1.00 0.00 C ATOM 1268 CD1 PHE A 80 -6.959 1.329 4.694 1.00 0.00 C ATOM 1269 CD2 PHE A 80 -7.820 0.122 6.561 1.00 0.00 C ATOM 1270 CE1 PHE A 80 -7.805 0.633 3.850 1.00 0.00 C ATOM 1271 CE2 PHE A 80 -8.668 -0.577 5.723 1.00 0.00 C ATOM 1272 CZ PHE A 80 -8.659 -0.323 4.366 1.00 0.00 C ATOM 0 H PHE A 80 -4.748 0.320 8.424 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.436 1.120 5.734 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.286 1.598 8.005 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -6.211 2.909 6.843 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -6.292 2.074 4.286 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -7.830 -0.083 7.621 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.798 0.836 2.789 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.337 -1.321 6.129 1.00 0.00 H new ATOM 0 HZ PHE A 80 -9.318 -0.871 3.709 1.00 0.00 H new