USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 375 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 15 GLN : amide:sc= 0.292 K(o=0.75,f=-1.2) USER MOD Set 1.2: A 19 TYR OH : rot 164:sc= 0.454 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0695 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0421 X(o=-0.042,f=-0.15) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.303 USER MOD Single : A 12 SER OG : rot 160:sc= -0.49 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN :FLIP amide:sc= -0.0745 F(o=-1.6,f=-0.074) USER MOD Single : A 21 ASN : amide:sc= -0.106 K(o=-0.11,f=-2.2) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.697 X(o=-0.7,f=-1) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -2.59! C(o=-2.6!,f=-3!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.133 K(o=-0.13,f=-3.3!) USER MOD Single : B 16 TYR OH : rot 180:sc= -0.0162 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ -169:sc=-0.00831 (180deg=-0.157) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.427 -10.577 11.208 1.00 0.00 N ATOM 2 CA GLY A 1 1.019 -11.093 9.869 1.00 0.00 C ATOM 3 C GLY A 1 1.833 -10.442 8.744 1.00 0.00 C ATOM 4 O GLY A 1 2.715 -9.642 8.995 1.00 0.00 O ATOM 0 H1 GLY A 1 1.832 -11.353 11.770 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.138 -9.828 11.089 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.596 -10.190 11.699 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.154 -12.174 9.838 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.042 -10.899 9.711 1.00 0.00 H new ATOM 10 N ILE A 2 1.490 -10.829 7.536 1.00 0.00 N ATOM 11 CA ILE A 2 2.148 -10.324 6.282 1.00 0.00 C ATOM 12 C ILE A 2 2.848 -8.957 6.383 1.00 0.00 C ATOM 13 O ILE A 2 3.964 -8.784 5.930 1.00 0.00 O ATOM 14 CB ILE A 2 1.077 -10.266 5.115 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.430 -10.181 5.557 1.00 0.00 C ATOM 16 CG2 ILE A 2 1.255 -11.503 4.208 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.774 -8.949 6.428 1.00 0.00 C ATOM 0 H ILE A 2 0.747 -11.505 7.361 1.00 0.00 H new ATOM 0 HA ILE A 2 2.947 -11.038 6.084 1.00 0.00 H new ATOM 0 HB ILE A 2 1.277 -9.327 4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.057 -10.166 4.665 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.685 -11.085 6.111 1.00 0.00 H new ATOM 0 HG21 ILE A 2 0.522 -11.472 3.402 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.260 -11.503 3.785 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.109 -12.409 4.796 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.833 -8.971 6.687 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.177 -8.970 7.340 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.555 -8.038 5.872 1.00 0.00 H new ATOM 29 N VAL A 3 2.136 -8.035 6.978 1.00 0.00 N ATOM 30 CA VAL A 3 2.598 -6.631 7.198 1.00 0.00 C ATOM 31 C VAL A 3 4.120 -6.466 7.364 1.00 0.00 C ATOM 32 O VAL A 3 4.670 -5.575 6.757 1.00 0.00 O ATOM 33 CB VAL A 3 1.838 -6.075 8.444 1.00 0.00 C ATOM 34 CG1 VAL A 3 2.615 -6.193 9.785 1.00 0.00 C ATOM 35 CG2 VAL A 3 1.419 -4.606 8.170 1.00 0.00 C ATOM 0 H VAL A 3 1.199 -8.211 7.340 1.00 0.00 H new ATOM 0 HA VAL A 3 2.369 -6.064 6.296 1.00 0.00 H new ATOM 0 HB VAL A 3 0.960 -6.706 8.581 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.010 -5.782 10.593 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.830 -7.242 9.990 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.550 -5.638 9.714 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.888 -4.212 9.036 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.308 -4.003 7.984 1.00 0.00 H new ATOM 0 HG23 VAL A 3 0.767 -4.570 7.297 1.00 0.00 H new ATOM 45 N GLU A 4 4.731 -7.312 8.175 1.00 0.00 N ATOM 46 CA GLU A 4 6.230 -7.278 8.440 1.00 0.00 C ATOM 47 C GLU A 4 7.033 -6.650 7.293 1.00 0.00 C ATOM 48 O GLU A 4 7.905 -5.847 7.523 1.00 0.00 O ATOM 49 CB GLU A 4 6.733 -8.749 8.748 1.00 0.00 C ATOM 50 CG GLU A 4 6.574 -9.783 7.597 1.00 0.00 C ATOM 51 CD GLU A 4 7.616 -9.617 6.459 1.00 0.00 C ATOM 52 OE1 GLU A 4 8.686 -9.080 6.713 1.00 0.00 O ATOM 53 OE2 GLU A 4 7.277 -10.055 5.373 1.00 0.00 O ATOM 0 H GLU A 4 4.242 -8.050 8.682 1.00 0.00 H new ATOM 0 HA GLU A 4 6.401 -6.635 9.304 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.787 -8.701 9.022 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.194 -9.120 9.619 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.658 -10.788 8.010 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.573 -9.693 7.176 1.00 0.00 H new ATOM 60 N GLN A 5 6.701 -7.039 6.093 1.00 0.00 N ATOM 61 CA GLN A 5 7.350 -6.549 4.834 1.00 0.00 C ATOM 62 C GLN A 5 7.685 -5.029 4.829 1.00 0.00 C ATOM 63 O GLN A 5 8.723 -4.608 4.359 1.00 0.00 O ATOM 64 CB GLN A 5 6.392 -6.870 3.678 1.00 0.00 C ATOM 65 CG GLN A 5 7.162 -7.187 2.379 1.00 0.00 C ATOM 66 CD GLN A 5 7.788 -8.585 2.488 1.00 0.00 C ATOM 67 OE1 GLN A 5 7.095 -9.580 2.563 1.00 0.00 O ATOM 68 NE2 GLN A 5 9.087 -8.711 2.501 1.00 0.00 N ATOM 0 H GLN A 5 5.960 -7.719 5.922 1.00 0.00 H new ATOM 0 HA GLN A 5 8.312 -7.052 4.738 1.00 0.00 H new ATOM 0 HB2 GLN A 5 5.766 -7.720 3.948 1.00 0.00 H new ATOM 0 HB3 GLN A 5 5.726 -6.024 3.510 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.488 -7.144 1.523 1.00 0.00 H new ATOM 0 HG3 GLN A 5 7.938 -6.440 2.211 1.00 0.00 H new ATOM 0 HE21 GLN A 5 9.680 -7.884 2.439 1.00 0.00 H new ATOM 0 HE22 GLN A 5 9.509 -9.637 2.573 1.00 0.00 H new ATOM 77 N CYS A 6 6.767 -4.265 5.366 1.00 0.00 N ATOM 78 CA CYS A 6 6.876 -2.762 5.455 1.00 0.00 C ATOM 79 C CYS A 6 7.577 -2.197 6.708 1.00 0.00 C ATOM 80 O CYS A 6 7.879 -1.021 6.748 1.00 0.00 O ATOM 81 CB CYS A 6 5.459 -2.162 5.396 1.00 0.00 C ATOM 82 SG CYS A 6 4.300 -2.769 4.145 1.00 0.00 S ATOM 0 H CYS A 6 5.904 -4.634 5.766 1.00 0.00 H new ATOM 0 HA CYS A 6 7.509 -2.480 4.614 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.998 -2.312 6.372 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.563 -1.086 5.254 1.00 0.00 H new ATOM 87 N CYS A 7 7.813 -3.036 7.680 1.00 0.00 N ATOM 88 CA CYS A 7 8.488 -2.631 8.964 1.00 0.00 C ATOM 89 C CYS A 7 9.889 -3.263 8.956 1.00 0.00 C ATOM 90 O CYS A 7 10.771 -2.908 9.715 1.00 0.00 O ATOM 91 CB CYS A 7 7.703 -3.175 10.168 1.00 0.00 C ATOM 92 SG CYS A 7 8.368 -2.795 11.810 1.00 0.00 S ATOM 0 H CYS A 7 7.559 -4.023 7.642 1.00 0.00 H new ATOM 0 HA CYS A 7 8.538 -1.545 9.042 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.686 -2.787 10.115 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.637 -4.259 10.070 1.00 0.00 H new ATOM 97 N THR A 8 9.985 -4.210 8.063 1.00 0.00 N ATOM 98 CA THR A 8 11.183 -5.035 7.776 1.00 0.00 C ATOM 99 C THR A 8 11.364 -4.877 6.252 1.00 0.00 C ATOM 100 O THR A 8 11.237 -5.837 5.518 1.00 0.00 O ATOM 101 CB THR A 8 10.812 -6.454 8.202 1.00 0.00 C ATOM 102 OG1 THR A 8 10.393 -6.359 9.559 1.00 0.00 O ATOM 103 CG2 THR A 8 11.979 -7.396 8.256 1.00 0.00 C ATOM 0 H THR A 8 9.196 -4.461 7.468 1.00 0.00 H new ATOM 0 HA THR A 8 12.108 -4.767 8.287 1.00 0.00 H new ATOM 0 HB THR A 8 10.079 -6.825 7.485 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.140 -7.247 9.886 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.636 -8.383 8.566 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.437 -7.465 7.269 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.713 -7.026 8.972 1.00 0.00 H new ATOM 111 N SER A 9 11.648 -3.652 5.873 1.00 0.00 N ATOM 112 CA SER A 9 11.880 -3.157 4.460 1.00 0.00 C ATOM 113 C SER A 9 10.772 -2.103 4.179 1.00 0.00 C ATOM 114 O SER A 9 10.163 -1.610 5.110 1.00 0.00 O ATOM 115 CB SER A 9 11.781 -4.323 3.404 1.00 0.00 C ATOM 116 OG SER A 9 12.242 -3.774 2.174 1.00 0.00 O ATOM 0 H SER A 9 11.737 -2.899 6.555 1.00 0.00 H new ATOM 0 HA SER A 9 12.882 -2.738 4.372 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.391 -5.175 3.704 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.756 -4.681 3.312 1.00 0.00 H new ATOM 0 HG SER A 9 12.204 -4.460 1.475 1.00 0.00 H new ATOM 122 N ILE A 10 10.536 -1.781 2.928 1.00 0.00 N ATOM 123 CA ILE A 10 9.489 -0.770 2.548 1.00 0.00 C ATOM 124 C ILE A 10 8.316 -1.477 1.819 1.00 0.00 C ATOM 125 O ILE A 10 7.398 -0.825 1.362 1.00 0.00 O ATOM 126 CB ILE A 10 10.158 0.299 1.613 1.00 0.00 C ATOM 127 CG1 ILE A 10 11.504 0.832 2.218 1.00 0.00 C ATOM 128 CG2 ILE A 10 9.202 1.498 1.342 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.301 1.647 3.507 1.00 0.00 C ATOM 0 H ILE A 10 11.035 -2.184 2.135 1.00 0.00 H new ATOM 0 HA ILE A 10 9.089 -0.282 3.436 1.00 0.00 H new ATOM 0 HB ILE A 10 10.371 -0.202 0.669 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.161 -0.012 2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.008 1.453 1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.698 2.219 0.691 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.294 1.137 0.859 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.944 1.978 2.286 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.268 1.988 3.878 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.668 2.509 3.297 1.00 0.00 H new ATOM 0 HD13 ILE A 10 10.823 1.022 4.261 1.00 0.00 H new ATOM 141 N CYS A 11 8.373 -2.788 1.743 1.00 0.00 N ATOM 142 CA CYS A 11 7.314 -3.617 1.061 1.00 0.00 C ATOM 143 C CYS A 11 6.874 -3.062 -0.311 1.00 0.00 C ATOM 144 O CYS A 11 7.571 -2.262 -0.903 1.00 0.00 O ATOM 145 CB CYS A 11 6.073 -3.727 1.978 1.00 0.00 C ATOM 146 SG CYS A 11 5.101 -2.252 2.366 1.00 0.00 S ATOM 0 H CYS A 11 9.135 -3.339 2.138 1.00 0.00 H new ATOM 0 HA CYS A 11 7.762 -4.594 0.879 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.397 -4.450 1.522 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.406 -4.154 2.924 1.00 0.00 H new ATOM 151 N SER A 12 5.732 -3.512 -0.776 1.00 0.00 N ATOM 152 CA SER A 12 5.188 -3.056 -2.095 1.00 0.00 C ATOM 153 C SER A 12 3.877 -2.267 -1.910 1.00 0.00 C ATOM 154 O SER A 12 3.564 -1.803 -0.830 1.00 0.00 O ATOM 155 CB SER A 12 4.943 -4.307 -2.984 1.00 0.00 C ATOM 156 OG SER A 12 3.864 -5.000 -2.369 1.00 0.00 O ATOM 0 H SER A 12 5.144 -4.188 -0.288 1.00 0.00 H new ATOM 0 HA SER A 12 5.907 -2.390 -2.573 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.695 -4.021 -4.006 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.834 -4.933 -3.036 1.00 0.00 H new ATOM 0 HG SER A 12 3.448 -5.602 -3.021 1.00 0.00 H new ATOM 162 N LEU A 13 3.166 -2.157 -2.999 1.00 0.00 N ATOM 163 CA LEU A 13 1.860 -1.437 -3.055 1.00 0.00 C ATOM 164 C LEU A 13 0.852 -2.596 -2.950 1.00 0.00 C ATOM 165 O LEU A 13 0.031 -2.639 -2.054 1.00 0.00 O ATOM 166 CB LEU A 13 1.832 -0.685 -4.425 1.00 0.00 C ATOM 167 CG LEU A 13 0.592 0.223 -4.693 1.00 0.00 C ATOM 168 CD1 LEU A 13 -0.724 -0.579 -4.711 1.00 0.00 C ATOM 169 CD2 LEU A 13 0.515 1.367 -3.661 1.00 0.00 C ATOM 0 H LEU A 13 3.452 -2.556 -3.893 1.00 0.00 H new ATOM 0 HA LEU A 13 1.659 -0.688 -2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.728 -0.069 -4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.892 -1.426 -5.222 1.00 0.00 H new ATOM 0 HG LEU A 13 0.722 0.655 -5.685 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.559 0.096 -4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.680 -1.332 -5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.865 -1.068 -3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.358 1.986 -3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.432 0.948 -2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.416 1.977 -3.726 1.00 0.00 H new ATOM 181 N TYR A 14 0.974 -3.496 -3.895 1.00 0.00 N ATOM 182 CA TYR A 14 0.109 -4.714 -3.999 1.00 0.00 C ATOM 183 C TYR A 14 -0.350 -5.295 -2.649 1.00 0.00 C ATOM 184 O TYR A 14 -1.535 -5.445 -2.423 1.00 0.00 O ATOM 185 CB TYR A 14 0.880 -5.797 -4.770 1.00 0.00 C ATOM 186 CG TYR A 14 -0.107 -6.900 -5.183 1.00 0.00 C ATOM 187 CD1 TYR A 14 -0.973 -6.698 -6.242 1.00 0.00 C ATOM 188 CD2 TYR A 14 -0.150 -8.101 -4.505 1.00 0.00 C ATOM 189 CE1 TYR A 14 -1.866 -7.679 -6.617 1.00 0.00 C ATOM 190 CE2 TYR A 14 -1.044 -9.083 -4.880 1.00 0.00 C ATOM 191 CZ TYR A 14 -1.909 -8.880 -5.939 1.00 0.00 C ATOM 192 OH TYR A 14 -2.801 -9.866 -6.313 1.00 0.00 O ATOM 0 H TYR A 14 1.673 -3.431 -4.635 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.799 -4.402 -4.516 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.357 -5.367 -5.651 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.673 -6.212 -4.148 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.950 -5.762 -6.781 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.520 -8.274 -3.676 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.536 -7.506 -7.446 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.068 -10.019 -4.341 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.693 -10.644 -5.728 1.00 0.00 H new ATOM 202 N GLN A 15 0.610 -5.609 -1.808 1.00 0.00 N ATOM 203 CA GLN A 15 0.316 -6.188 -0.453 1.00 0.00 C ATOM 204 C GLN A 15 -0.864 -5.488 0.238 1.00 0.00 C ATOM 205 O GLN A 15 -1.971 -5.993 0.212 1.00 0.00 O ATOM 206 CB GLN A 15 1.611 -6.074 0.393 1.00 0.00 C ATOM 207 CG GLN A 15 2.708 -6.986 -0.206 1.00 0.00 C ATOM 208 CD GLN A 15 2.348 -8.466 -0.003 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.487 -9.013 1.073 1.00 0.00 O ATOM 210 NE2 GLN A 15 1.878 -9.146 -1.015 1.00 0.00 N ATOM 0 H GLN A 15 1.603 -5.486 -2.007 1.00 0.00 H new ATOM 0 HA GLN A 15 0.017 -7.231 -0.560 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.955 -5.040 0.412 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.409 -6.361 1.425 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.823 -6.776 -1.269 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.666 -6.771 0.267 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.758 -8.694 -1.922 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.631 -10.129 -0.898 1.00 0.00 H new ATOM 219 N LEU A 16 -0.606 -4.351 0.840 1.00 0.00 N ATOM 220 CA LEU A 16 -1.694 -3.597 1.532 1.00 0.00 C ATOM 221 C LEU A 16 -3.001 -3.425 0.771 1.00 0.00 C ATOM 222 O LEU A 16 -4.012 -3.184 1.401 1.00 0.00 O ATOM 223 CB LEU A 16 -1.158 -2.209 1.961 1.00 0.00 C ATOM 224 CG LEU A 16 -0.665 -2.380 3.431 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.646 -3.186 3.480 1.00 0.00 C ATOM 226 CD2 LEU A 16 -0.451 -1.043 4.094 1.00 0.00 C ATOM 0 H LEU A 16 0.315 -3.913 0.881 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.962 -4.223 2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.345 -1.886 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.939 -1.451 1.896 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.441 -2.922 3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.970 -3.292 4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.482 -4.173 3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.415 -2.664 2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.108 -1.195 5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.299 -0.478 3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.389 -0.488 4.105 1.00 0.00 H new ATOM 238 N GLU A 17 -2.959 -3.529 -0.537 1.00 0.00 N ATOM 239 CA GLU A 17 -4.219 -3.389 -1.345 1.00 0.00 C ATOM 240 C GLU A 17 -5.310 -4.246 -0.704 1.00 0.00 C ATOM 241 O GLU A 17 -6.412 -3.807 -0.440 1.00 0.00 O ATOM 242 CB GLU A 17 -4.054 -3.904 -2.796 1.00 0.00 C ATOM 243 CG GLU A 17 -3.091 -3.071 -3.657 1.00 0.00 C ATOM 244 CD GLU A 17 -2.962 -3.674 -5.082 1.00 0.00 C ATOM 245 OE1 GLU A 17 -3.357 -4.812 -5.287 1.00 0.00 O ATOM 246 OE2 GLU A 17 -2.452 -2.949 -5.917 1.00 0.00 O ATOM 0 H GLU A 17 -2.113 -3.704 -1.080 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.467 -2.328 -1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.697 -4.934 -2.765 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.032 -3.920 -3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.451 -2.044 -3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.110 -3.035 -3.182 1.00 0.00 H new ATOM 253 N ASN A 18 -4.904 -5.463 -0.466 1.00 0.00 N ATOM 254 CA ASN A 18 -5.806 -6.472 0.148 1.00 0.00 C ATOM 255 C ASN A 18 -5.993 -6.204 1.647 1.00 0.00 C ATOM 256 O ASN A 18 -6.977 -6.621 2.227 1.00 0.00 O ATOM 257 CB ASN A 18 -5.191 -7.861 -0.080 1.00 0.00 C ATOM 258 CG ASN A 18 -6.193 -8.979 0.262 1.00 0.00 C ATOM 259 OD1 ASN A 18 -7.442 -8.701 0.539 1.00 0.00 O flip ATOM 260 ND2 ASN A 18 -5.837 -10.141 0.275 1.00 0.00 N flip ATOM 0 H ASN A 18 -3.966 -5.805 -0.676 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.791 -6.416 -0.314 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.877 -7.956 -1.120 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.297 -7.971 0.534 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.869 -10.380 0.062 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.507 -10.877 0.499 1.00 0.00 H new ATOM 267 N TYR A 19 -5.048 -5.515 2.235 1.00 0.00 N ATOM 268 CA TYR A 19 -5.151 -5.208 3.700 1.00 0.00 C ATOM 269 C TYR A 19 -5.958 -3.908 3.901 1.00 0.00 C ATOM 270 O TYR A 19 -6.179 -3.508 5.028 1.00 0.00 O ATOM 271 CB TYR A 19 -3.705 -5.050 4.334 1.00 0.00 C ATOM 272 CG TYR A 19 -2.743 -6.138 3.808 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.141 -7.365 3.294 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.403 -5.843 3.820 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.203 -8.253 2.803 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.477 -6.713 3.331 1.00 0.00 C ATOM 277 CZ TYR A 19 -0.860 -7.932 2.815 1.00 0.00 C ATOM 278 OH TYR A 19 0.077 -8.812 2.316 1.00 0.00 O ATOM 0 H TYR A 19 -4.215 -5.153 1.771 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.662 -6.032 4.199 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.307 -4.063 4.097 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.772 -5.114 5.420 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.189 -7.627 3.278 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.075 -4.898 4.227 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.523 -9.205 2.407 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.569 -6.445 3.348 1.00 0.00 H new ATOM 0 HH TYR A 19 0.922 -8.339 2.165 1.00 0.00 H new ATOM 288 N CYS A 20 -6.383 -3.297 2.814 1.00 0.00 N ATOM 289 CA CYS A 20 -7.180 -2.028 2.892 1.00 0.00 C ATOM 290 C CYS A 20 -8.623 -2.355 2.518 1.00 0.00 C ATOM 291 O CYS A 20 -9.540 -2.094 3.272 1.00 0.00 O ATOM 292 CB CYS A 20 -6.631 -0.952 1.905 1.00 0.00 C ATOM 293 SG CYS A 20 -7.558 0.610 1.896 1.00 0.00 S ATOM 0 H CYS A 20 -6.208 -3.630 1.866 1.00 0.00 H new ATOM 0 HA CYS A 20 -7.112 -1.626 3.903 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -5.592 -0.741 2.159 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -6.635 -1.367 0.897 1.00 0.00 H new ATOM 298 N ASN A 21 -8.763 -2.921 1.351 1.00 0.00 N ATOM 299 CA ASN A 21 -10.102 -3.316 0.818 1.00 0.00 C ATOM 300 C ASN A 21 -10.048 -4.767 0.283 1.00 0.00 C ATOM 301 O ASN A 21 -9.135 -5.546 0.505 1.00 0.00 O ATOM 302 CB ASN A 21 -10.494 -2.305 -0.301 1.00 0.00 C ATOM 303 CG ASN A 21 -9.530 -2.368 -1.488 1.00 0.00 C ATOM 304 OD1 ASN A 21 -8.349 -2.113 -1.364 1.00 0.00 O ATOM 305 ND2 ASN A 21 -9.998 -2.701 -2.659 1.00 0.00 N ATOM 0 H ASN A 21 -7.985 -3.133 0.727 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.857 -3.289 1.604 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.507 -2.517 -0.644 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.501 -1.295 0.108 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.373 -2.746 -3.464 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.989 -2.916 -2.770 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 15.096 10.810 -0.251 1.00 0.00 N ATOM 314 CA PHE B 1 13.904 10.203 0.402 1.00 0.00 C ATOM 315 C PHE B 1 13.207 9.265 -0.592 1.00 0.00 C ATOM 316 O PHE B 1 12.412 9.689 -1.409 1.00 0.00 O ATOM 317 CB PHE B 1 12.935 11.325 0.863 1.00 0.00 C ATOM 318 CG PHE B 1 11.691 10.718 1.544 1.00 0.00 C ATOM 319 CD1 PHE B 1 11.824 9.865 2.629 1.00 0.00 C ATOM 320 CD2 PHE B 1 10.422 11.019 1.081 1.00 0.00 C ATOM 321 CE1 PHE B 1 10.709 9.326 3.238 1.00 0.00 C ATOM 322 CE2 PHE B 1 9.306 10.479 1.690 1.00 0.00 C ATOM 323 CZ PHE B 1 9.450 9.633 2.768 1.00 0.00 C ATOM 0 H1 PHE B 1 15.572 11.447 0.419 1.00 0.00 H new ATOM 0 H2 PHE B 1 15.754 10.058 -0.541 1.00 0.00 H new ATOM 0 H3 PHE B 1 14.796 11.349 -1.088 1.00 0.00 H new ATOM 0 HA PHE B 1 14.211 9.629 1.276 1.00 0.00 H new ATOM 0 HB2 PHE B 1 13.446 11.993 1.556 1.00 0.00 H new ATOM 0 HB3 PHE B 1 12.631 11.926 0.006 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.808 9.620 3.001 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.303 11.682 0.236 1.00 0.00 H new ATOM 0 HE1 PHE B 1 10.823 8.663 4.083 1.00 0.00 H new ATOM 0 HE2 PHE B 1 8.320 10.720 1.321 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.577 9.211 3.244 1.00 0.00 H new ATOM 335 N VAL B 2 13.546 8.005 -0.474 1.00 0.00 N ATOM 336 CA VAL B 2 12.963 6.943 -1.365 1.00 0.00 C ATOM 337 C VAL B 2 11.986 6.054 -0.564 1.00 0.00 C ATOM 338 O VAL B 2 11.607 4.971 -0.961 1.00 0.00 O ATOM 339 CB VAL B 2 14.157 6.151 -1.910 1.00 0.00 C ATOM 340 CG1 VAL B 2 13.758 5.059 -2.935 1.00 0.00 C ATOM 341 CG2 VAL B 2 15.182 7.105 -2.579 1.00 0.00 C ATOM 0 H VAL B 2 14.214 7.657 0.214 1.00 0.00 H new ATOM 0 HA VAL B 2 12.382 7.363 -2.186 1.00 0.00 H new ATOM 0 HB VAL B 2 14.597 5.651 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL B 2 14.652 4.538 -3.279 1.00 0.00 H new ATOM 0 HG12 VAL B 2 13.082 4.346 -2.463 1.00 0.00 H new ATOM 0 HG13 VAL B 2 13.259 5.523 -3.786 1.00 0.00 H new ATOM 0 HG21 VAL B 2 16.023 6.526 -2.960 1.00 0.00 H new ATOM 0 HG22 VAL B 2 14.703 7.634 -3.403 1.00 0.00 H new ATOM 0 HG23 VAL B 2 15.541 7.826 -1.845 1.00 0.00 H new ATOM 351 N ASN B 3 11.646 6.629 0.553 1.00 0.00 N ATOM 352 CA ASN B 3 10.716 6.112 1.620 1.00 0.00 C ATOM 353 C ASN B 3 11.482 5.606 2.844 1.00 0.00 C ATOM 354 O ASN B 3 12.690 5.471 2.828 1.00 0.00 O ATOM 355 CB ASN B 3 9.819 4.929 1.133 1.00 0.00 C ATOM 356 CG ASN B 3 8.912 5.346 -0.036 1.00 0.00 C ATOM 357 OD1 ASN B 3 8.406 6.449 -0.096 1.00 0.00 O ATOM 358 ND2 ASN B 3 8.674 4.481 -0.986 1.00 0.00 N ATOM 0 H ASN B 3 12.019 7.546 0.799 1.00 0.00 H new ATOM 0 HA ASN B 3 10.091 6.968 1.873 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.451 4.097 0.824 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.205 4.573 1.961 1.00 0.00 H new ATOM 0 HD21 ASN B 3 8.069 4.735 -1.767 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.093 3.552 -0.947 1.00 0.00 H new ATOM 365 N GLN B 4 10.715 5.349 3.872 1.00 0.00 N ATOM 366 CA GLN B 4 11.238 4.843 5.168 1.00 0.00 C ATOM 367 C GLN B 4 10.270 3.722 5.579 1.00 0.00 C ATOM 368 O GLN B 4 9.240 3.528 4.960 1.00 0.00 O ATOM 369 CB GLN B 4 11.232 6.007 6.182 1.00 0.00 C ATOM 370 CG GLN B 4 11.925 5.599 7.500 1.00 0.00 C ATOM 371 CD GLN B 4 11.956 6.807 8.444 1.00 0.00 C ATOM 372 OE1 GLN B 4 12.528 7.836 8.148 1.00 0.00 O ATOM 373 NE2 GLN B 4 11.349 6.717 9.596 1.00 0.00 N ATOM 0 H GLN B 4 9.703 5.477 3.860 1.00 0.00 H new ATOM 0 HA GLN B 4 12.259 4.465 5.114 1.00 0.00 H new ATOM 0 HB2 GLN B 4 11.740 6.870 5.752 1.00 0.00 H new ATOM 0 HB3 GLN B 4 10.205 6.310 6.386 1.00 0.00 H new ATOM 0 HG2 GLN B 4 11.390 4.771 7.966 1.00 0.00 H new ATOM 0 HG3 GLN B 4 12.939 5.251 7.300 1.00 0.00 H new ATOM 0 HE21 GLN B 4 10.866 5.856 9.852 1.00 0.00 H new ATOM 0 HE22 GLN B 4 11.358 7.508 10.240 1.00 0.00 H new ATOM 382 N HIS B 5 10.622 3.019 6.618 1.00 0.00 N ATOM 383 CA HIS B 5 9.774 1.914 7.110 1.00 0.00 C ATOM 384 C HIS B 5 8.519 2.521 7.729 1.00 0.00 C ATOM 385 O HIS B 5 8.513 3.600 8.293 1.00 0.00 O ATOM 386 CB HIS B 5 10.600 1.114 8.131 1.00 0.00 C ATOM 387 CG HIS B 5 11.743 0.404 7.388 1.00 0.00 C ATOM 388 ND1 HIS B 5 12.570 0.959 6.559 1.00 0.00 N ATOM 389 CD2 HIS B 5 12.143 -0.915 7.420 1.00 0.00 C ATOM 390 CE1 HIS B 5 13.404 0.073 6.118 1.00 0.00 C ATOM 391 NE2 HIS B 5 13.175 -1.111 6.628 1.00 0.00 N ATOM 0 H HIS B 5 11.478 3.171 7.152 1.00 0.00 H new ATOM 0 HA HIS B 5 9.462 1.238 6.314 1.00 0.00 H new ATOM 0 HB2 HIS B 5 11.001 1.778 8.897 1.00 0.00 H new ATOM 0 HB3 HIS B 5 9.969 0.385 8.640 1.00 0.00 H new ATOM 0 HD2 HIS B 5 11.673 -1.684 8.015 1.00 0.00 H new ATOM 0 HE1 HIS B 5 14.195 0.285 5.413 1.00 0.00 H new ATOM 0 HE2 HIS B 5 13.678 -1.981 6.453 1.00 0.00 H new ATOM 399 N LEU B 6 7.501 1.737 7.570 1.00 0.00 N ATOM 400 CA LEU B 6 6.124 2.047 8.051 1.00 0.00 C ATOM 401 C LEU B 6 5.773 0.980 9.099 1.00 0.00 C ATOM 402 O LEU B 6 5.419 -0.126 8.736 1.00 0.00 O ATOM 403 CB LEU B 6 5.121 1.980 6.845 1.00 0.00 C ATOM 404 CG LEU B 6 5.582 2.732 5.538 1.00 0.00 C ATOM 405 CD1 LEU B 6 6.133 4.161 5.778 1.00 0.00 C ATOM 406 CD2 LEU B 6 6.580 1.887 4.702 1.00 0.00 C ATOM 0 H LEU B 6 7.568 0.836 7.097 1.00 0.00 H new ATOM 0 HA LEU B 6 6.065 3.046 8.483 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.946 0.933 6.598 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.166 2.396 7.165 1.00 0.00 H new ATOM 0 HG LEU B 6 4.666 2.861 4.961 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.426 4.603 4.826 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.361 4.776 6.241 1.00 0.00 H new ATOM 0 HD13 LEU B 6 7.000 4.111 6.437 1.00 0.00 H new ATOM 0 HD21 LEU B 6 6.871 2.444 3.811 1.00 0.00 H new ATOM 0 HD22 LEU B 6 7.465 1.672 5.301 1.00 0.00 H new ATOM 0 HD23 LEU B 6 6.106 0.951 4.406 1.00 0.00 H new ATOM 418 N CYS B 7 5.885 1.324 10.361 1.00 0.00 N ATOM 419 CA CYS B 7 5.563 0.325 11.433 1.00 0.00 C ATOM 420 C CYS B 7 4.649 0.864 12.566 1.00 0.00 C ATOM 421 O CYS B 7 5.050 0.868 13.714 1.00 0.00 O ATOM 422 CB CYS B 7 6.914 -0.165 12.000 1.00 0.00 C ATOM 423 SG CYS B 7 6.912 -1.793 12.790 1.00 0.00 S ATOM 0 H CYS B 7 6.182 2.242 10.693 1.00 0.00 H new ATOM 0 HA CYS B 7 4.982 -0.483 10.989 1.00 0.00 H new ATOM 0 HB2 CYS B 7 7.640 -0.181 11.187 1.00 0.00 H new ATOM 0 HB3 CYS B 7 7.265 0.567 12.727 1.00 0.00 H new ATOM 428 N GLY B 8 3.454 1.303 12.241 1.00 0.00 N ATOM 429 CA GLY B 8 2.527 1.831 13.305 1.00 0.00 C ATOM 430 C GLY B 8 2.193 3.319 13.141 1.00 0.00 C ATOM 431 O GLY B 8 2.911 4.152 13.657 1.00 0.00 O ATOM 0 H GLY B 8 3.079 1.320 11.292 1.00 0.00 H new ATOM 0 HA2 GLY B 8 1.602 1.255 13.288 1.00 0.00 H new ATOM 0 HA3 GLY B 8 2.982 1.674 14.283 1.00 0.00 H new ATOM 435 N SER B 9 1.116 3.563 12.425 1.00 0.00 N ATOM 436 CA SER B 9 0.546 4.927 12.097 1.00 0.00 C ATOM 437 C SER B 9 0.757 5.059 10.596 1.00 0.00 C ATOM 438 O SER B 9 -0.151 5.290 9.821 1.00 0.00 O ATOM 439 CB SER B 9 1.300 6.100 12.817 1.00 0.00 C ATOM 440 OG SER B 9 0.616 7.277 12.406 1.00 0.00 O ATOM 0 H SER B 9 0.563 2.808 12.021 1.00 0.00 H new ATOM 0 HA SER B 9 -0.492 4.996 12.421 1.00 0.00 H new ATOM 0 HB2 SER B 9 1.271 5.983 13.900 1.00 0.00 H new ATOM 0 HB3 SER B 9 2.351 6.132 12.528 1.00 0.00 H new ATOM 0 HG SER B 9 1.034 8.060 12.821 1.00 0.00 H new ATOM 446 N HIS B 10 2.008 4.900 10.263 1.00 0.00 N ATOM 447 CA HIS B 10 2.483 4.967 8.854 1.00 0.00 C ATOM 448 C HIS B 10 1.574 4.026 8.042 1.00 0.00 C ATOM 449 O HIS B 10 1.106 4.344 6.968 1.00 0.00 O ATOM 450 CB HIS B 10 3.935 4.501 8.833 1.00 0.00 C ATOM 451 CG HIS B 10 4.839 5.488 9.583 1.00 0.00 C ATOM 452 ND1 HIS B 10 4.601 5.986 10.752 1.00 0.00 N ATOM 453 CD2 HIS B 10 6.055 6.048 9.219 1.00 0.00 C ATOM 454 CE1 HIS B 10 5.566 6.781 11.095 1.00 0.00 C ATOM 455 NE2 HIS B 10 6.492 6.849 10.171 1.00 0.00 N ATOM 0 H HIS B 10 2.749 4.719 10.940 1.00 0.00 H new ATOM 0 HA HIS B 10 2.439 5.971 8.431 1.00 0.00 H new ATOM 0 HB2 HIS B 10 4.011 3.514 9.289 1.00 0.00 H new ATOM 0 HB3 HIS B 10 4.274 4.403 7.802 1.00 0.00 H new ATOM 0 HD2 HIS B 10 6.570 5.856 8.289 1.00 0.00 H new ATOM 0 HE1 HIS B 10 5.602 7.322 12.029 1.00 0.00 H new ATOM 0 HE2 HIS B 10 7.353 7.396 10.185 1.00 0.00 H new ATOM 463 N LEU B 11 1.369 2.872 8.630 1.00 0.00 N ATOM 464 CA LEU B 11 0.515 1.803 8.031 1.00 0.00 C ATOM 465 C LEU B 11 -0.908 2.320 7.769 1.00 0.00 C ATOM 466 O LEU B 11 -1.403 2.132 6.677 1.00 0.00 O ATOM 467 CB LEU B 11 0.492 0.608 9.003 1.00 0.00 C ATOM 468 CG LEU B 11 1.928 0.015 9.150 1.00 0.00 C ATOM 469 CD1 LEU B 11 1.935 -1.064 10.246 1.00 0.00 C ATOM 470 CD2 LEU B 11 2.369 -0.652 7.823 1.00 0.00 C ATOM 0 H LEU B 11 1.774 2.621 9.532 1.00 0.00 H new ATOM 0 HA LEU B 11 0.927 1.495 7.070 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.119 0.927 9.976 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.191 -0.158 8.636 1.00 0.00 H new ATOM 0 HG LEU B 11 2.609 0.827 9.407 1.00 0.00 H new ATOM 0 HD11 LEU B 11 2.940 -1.475 10.345 1.00 0.00 H new ATOM 0 HD12 LEU B 11 1.629 -0.622 11.194 1.00 0.00 H new ATOM 0 HD13 LEU B 11 1.242 -1.861 9.977 1.00 0.00 H new ATOM 0 HD21 LEU B 11 3.372 -1.062 7.938 1.00 0.00 H new ATOM 0 HD22 LEU B 11 1.676 -1.454 7.571 1.00 0.00 H new ATOM 0 HD23 LEU B 11 2.370 0.091 7.025 1.00 0.00 H new ATOM 482 N VAL B 12 -1.530 2.938 8.755 1.00 0.00 N ATOM 483 CA VAL B 12 -2.928 3.482 8.569 1.00 0.00 C ATOM 484 C VAL B 12 -2.993 4.166 7.209 1.00 0.00 C ATOM 485 O VAL B 12 -3.802 3.837 6.362 1.00 0.00 O ATOM 486 CB VAL B 12 -3.286 4.554 9.655 1.00 0.00 C ATOM 487 CG1 VAL B 12 -4.670 5.192 9.380 1.00 0.00 C ATOM 488 CG2 VAL B 12 -3.353 3.942 11.034 1.00 0.00 C ATOM 0 H VAL B 12 -1.131 3.090 9.682 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.630 2.652 8.651 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.498 5.306 9.608 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.889 5.931 10.150 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.659 5.677 8.404 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -5.437 4.417 9.392 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.603 4.713 11.763 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.117 3.165 11.051 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.387 3.505 11.286 1.00 0.00 H new ATOM 498 N GLU B 13 -2.096 5.112 7.079 1.00 0.00 N ATOM 499 CA GLU B 13 -2.000 5.895 5.820 1.00 0.00 C ATOM 500 C GLU B 13 -1.837 4.917 4.680 1.00 0.00 C ATOM 501 O GLU B 13 -2.724 4.875 3.866 1.00 0.00 O ATOM 502 CB GLU B 13 -0.786 6.844 5.863 1.00 0.00 C ATOM 503 CG GLU B 13 -0.812 7.689 7.154 1.00 0.00 C ATOM 504 CD GLU B 13 0.437 8.587 7.202 1.00 0.00 C ATOM 505 OE1 GLU B 13 0.516 9.469 6.359 1.00 0.00 O ATOM 506 OE2 GLU B 13 1.245 8.337 8.081 1.00 0.00 O ATOM 0 H GLU B 13 -1.423 5.373 7.800 1.00 0.00 H new ATOM 0 HA GLU B 13 -2.898 6.499 5.689 1.00 0.00 H new ATOM 0 HB2 GLU B 13 0.137 6.267 5.817 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -0.797 7.499 4.992 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -1.714 8.300 7.184 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.839 7.038 8.028 1.00 0.00 H new ATOM 513 N ALA B 14 -0.754 4.176 4.646 1.00 0.00 N ATOM 514 CA ALA B 14 -0.510 3.174 3.553 1.00 0.00 C ATOM 515 C ALA B 14 -1.814 2.501 3.087 1.00 0.00 C ATOM 516 O ALA B 14 -2.084 2.454 1.906 1.00 0.00 O ATOM 517 CB ALA B 14 0.484 2.129 4.074 1.00 0.00 C ATOM 0 H ALA B 14 -0.012 4.224 5.344 1.00 0.00 H new ATOM 0 HA ALA B 14 -0.099 3.688 2.684 1.00 0.00 H new ATOM 0 HB1 ALA B 14 0.676 1.390 3.296 1.00 0.00 H new ATOM 0 HB2 ALA B 14 1.418 2.620 4.347 1.00 0.00 H new ATOM 0 HB3 ALA B 14 0.065 1.633 4.950 1.00 0.00 H new ATOM 523 N LEU B 15 -2.592 1.994 4.011 1.00 0.00 N ATOM 524 CA LEU B 15 -3.881 1.335 3.615 1.00 0.00 C ATOM 525 C LEU B 15 -4.736 2.387 2.917 1.00 0.00 C ATOM 526 O LEU B 15 -5.094 2.261 1.762 1.00 0.00 O ATOM 527 CB LEU B 15 -4.686 0.834 4.851 1.00 0.00 C ATOM 528 CG LEU B 15 -3.920 -0.178 5.717 1.00 0.00 C ATOM 529 CD1 LEU B 15 -4.824 -0.585 6.899 1.00 0.00 C ATOM 530 CD2 LEU B 15 -3.666 -1.443 4.877 1.00 0.00 C ATOM 0 H LEU B 15 -2.396 2.006 5.012 1.00 0.00 H new ATOM 0 HA LEU B 15 -3.649 0.480 2.980 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -4.961 1.691 5.466 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -5.614 0.377 4.508 1.00 0.00 H new ATOM 0 HG LEU B 15 -2.983 0.257 6.066 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -4.299 -1.304 7.528 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -5.073 0.298 7.488 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -5.740 -1.037 6.518 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -3.123 -2.174 5.475 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -4.619 -1.868 4.562 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -3.076 -1.184 3.998 1.00 0.00 H new ATOM 542 N TYR B 16 -5.019 3.417 3.668 1.00 0.00 N ATOM 543 CA TYR B 16 -5.845 4.536 3.154 1.00 0.00 C ATOM 544 C TYR B 16 -5.138 5.245 1.999 1.00 0.00 C ATOM 545 O TYR B 16 -5.749 6.095 1.390 1.00 0.00 O ATOM 546 CB TYR B 16 -6.144 5.487 4.392 1.00 0.00 C ATOM 547 CG TYR B 16 -5.255 6.721 4.702 1.00 0.00 C ATOM 548 CD1 TYR B 16 -4.550 7.484 3.786 1.00 0.00 C ATOM 549 CD2 TYR B 16 -5.177 7.095 6.033 1.00 0.00 C ATOM 550 CE1 TYR B 16 -3.813 8.560 4.158 1.00 0.00 C ATOM 551 CE2 TYR B 16 -4.428 8.183 6.431 1.00 0.00 C ATOM 552 CZ TYR B 16 -3.734 8.934 5.488 1.00 0.00 C ATOM 553 OH TYR B 16 -2.981 10.030 5.858 1.00 0.00 O ATOM 0 H TYR B 16 -4.705 3.528 4.632 1.00 0.00 H new ATOM 0 HA TYR B 16 -6.788 4.187 2.734 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -7.163 5.854 4.270 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -6.135 4.859 5.283 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -4.588 7.213 2.741 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -5.714 6.523 6.775 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.283 9.130 3.409 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -4.380 8.452 7.476 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.036 10.152 6.829 1.00 0.00 H new ATOM 563 N LEU B 17 -3.903 4.876 1.724 1.00 0.00 N ATOM 564 CA LEU B 17 -3.095 5.494 0.630 1.00 0.00 C ATOM 565 C LEU B 17 -3.381 4.655 -0.593 1.00 0.00 C ATOM 566 O LEU B 17 -3.578 5.221 -1.646 1.00 0.00 O ATOM 567 CB LEU B 17 -1.599 5.461 1.057 1.00 0.00 C ATOM 568 CG LEU B 17 -0.715 6.349 0.149 1.00 0.00 C ATOM 569 CD1 LEU B 17 0.605 6.664 0.895 1.00 0.00 C ATOM 570 CD2 LEU B 17 -0.333 5.608 -1.160 1.00 0.00 C ATOM 0 H LEU B 17 -3.410 4.144 2.236 1.00 0.00 H new ATOM 0 HA LEU B 17 -3.338 6.536 0.423 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -1.510 5.797 2.090 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -1.235 4.434 1.024 1.00 0.00 H new ATOM 0 HG LEU B 17 -1.276 7.252 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.238 7.290 0.266 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.382 7.191 1.823 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.126 5.734 1.122 1.00 0.00 H new ATOM 0 HD21 LEU B 17 0.288 6.257 -1.777 1.00 0.00 H new ATOM 0 HD22 LEU B 17 0.220 4.701 -0.916 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -1.239 5.345 -1.707 1.00 0.00 H new ATOM 582 N VAL B 18 -3.393 3.349 -0.459 1.00 0.00 N ATOM 583 CA VAL B 18 -3.696 2.512 -1.659 1.00 0.00 C ATOM 584 C VAL B 18 -5.124 2.961 -2.045 1.00 0.00 C ATOM 585 O VAL B 18 -5.459 3.105 -3.205 1.00 0.00 O ATOM 586 CB VAL B 18 -3.682 1.013 -1.287 1.00 0.00 C ATOM 587 CG1 VAL B 18 -4.126 0.225 -2.528 1.00 0.00 C ATOM 588 CG2 VAL B 18 -2.253 0.552 -0.913 1.00 0.00 C ATOM 0 H VAL B 18 -3.211 2.839 0.406 1.00 0.00 H new ATOM 0 HA VAL B 18 -2.973 2.634 -2.466 1.00 0.00 H new ATOM 0 HB VAL B 18 -4.341 0.845 -0.436 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -4.128 -0.841 -2.301 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -5.130 0.536 -2.817 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -3.436 0.420 -3.349 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -2.268 -0.507 -0.655 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -1.586 0.709 -1.761 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -1.896 1.129 -0.059 1.00 0.00 H new ATOM 598 N CYS B 19 -5.894 3.164 -1.003 1.00 0.00 N ATOM 599 CA CYS B 19 -7.310 3.610 -1.111 1.00 0.00 C ATOM 600 C CYS B 19 -7.373 5.148 -0.835 1.00 0.00 C ATOM 601 O CYS B 19 -8.344 5.655 -0.307 1.00 0.00 O ATOM 602 CB CYS B 19 -8.138 2.858 -0.063 1.00 0.00 C ATOM 603 SG CYS B 19 -8.189 1.044 0.021 1.00 0.00 S ATOM 0 H CYS B 19 -5.579 3.031 -0.042 1.00 0.00 H new ATOM 0 HA CYS B 19 -7.705 3.404 -2.106 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -7.797 3.206 0.912 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -9.168 3.194 -0.179 1.00 0.00 H new ATOM 608 N GLY B 20 -6.315 5.828 -1.211 1.00 0.00 N ATOM 609 CA GLY B 20 -6.173 7.324 -1.038 1.00 0.00 C ATOM 610 C GLY B 20 -5.736 7.946 -2.372 1.00 0.00 C ATOM 611 O GLY B 20 -6.462 8.705 -2.983 1.00 0.00 O ATOM 0 H GLY B 20 -5.505 5.392 -1.651 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -7.120 7.756 -0.714 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -5.440 7.545 -0.262 1.00 0.00 H new ATOM 615 N GLU B 21 -4.543 7.581 -2.767 1.00 0.00 N ATOM 616 CA GLU B 21 -3.904 8.057 -4.032 1.00 0.00 C ATOM 617 C GLU B 21 -3.389 6.863 -4.866 1.00 0.00 C ATOM 618 O GLU B 21 -3.383 5.741 -4.400 1.00 0.00 O ATOM 619 CB GLU B 21 -2.735 9.007 -3.657 1.00 0.00 C ATOM 620 CG GLU B 21 -1.763 8.281 -2.686 1.00 0.00 C ATOM 621 CD GLU B 21 -0.567 9.180 -2.320 1.00 0.00 C ATOM 622 OE1 GLU B 21 -0.817 10.213 -1.717 1.00 0.00 O ATOM 623 OE2 GLU B 21 0.535 8.785 -2.663 1.00 0.00 O ATOM 0 H GLU B 21 -3.957 6.938 -2.234 1.00 0.00 H new ATOM 0 HA GLU B 21 -4.636 8.589 -4.640 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.202 9.317 -4.556 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.124 9.911 -3.189 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -2.297 7.994 -1.780 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -1.403 7.362 -3.148 1.00 0.00 H new ATOM 630 N ARG B 22 -2.987 7.190 -6.073 1.00 0.00 N ATOM 631 CA ARG B 22 -2.433 6.255 -7.114 1.00 0.00 C ATOM 632 C ARG B 22 -3.604 5.772 -7.962 1.00 0.00 C ATOM 633 O ARG B 22 -3.659 6.015 -9.152 1.00 0.00 O ATOM 634 CB ARG B 22 -1.687 5.038 -6.441 1.00 0.00 C ATOM 635 CG ARG B 22 -0.865 4.267 -7.512 1.00 0.00 C ATOM 636 CD ARG B 22 0.505 3.888 -6.915 1.00 0.00 C ATOM 637 NE ARG B 22 1.312 3.196 -7.967 1.00 0.00 N ATOM 638 CZ ARG B 22 1.879 2.046 -7.711 1.00 0.00 C ATOM 639 NH1 ARG B 22 2.769 1.979 -6.757 1.00 0.00 N ATOM 640 NH2 ARG B 22 1.539 1.001 -8.413 1.00 0.00 N ATOM 0 H ARG B 22 -3.026 8.154 -6.404 1.00 0.00 H new ATOM 0 HA ARG B 22 -1.700 6.770 -7.735 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -1.027 5.396 -5.651 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -2.410 4.370 -5.974 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -1.401 3.371 -7.825 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -0.731 4.884 -8.400 1.00 0.00 H new ATOM 0 HD2 ARG B 22 1.025 4.780 -6.566 1.00 0.00 H new ATOM 0 HD3 ARG B 22 0.373 3.237 -6.051 1.00 0.00 H new ATOM 0 HE ARG B 22 1.420 3.623 -8.887 1.00 0.00 H new ATOM 0 HH11 ARG B 22 3.011 2.815 -6.226 1.00 0.00 H new ATOM 0 HH12 ARG B 22 3.222 1.090 -6.543 1.00 0.00 H new ATOM 0 HH21 ARG B 22 0.839 1.087 -9.150 1.00 0.00 H new ATOM 0 HH22 ARG B 22 1.973 0.097 -8.225 1.00 0.00 H new ATOM 654 N GLY B 23 -4.499 5.098 -7.297 1.00 0.00 N ATOM 655 CA GLY B 23 -5.717 4.557 -7.974 1.00 0.00 C ATOM 656 C GLY B 23 -5.680 3.051 -8.217 1.00 0.00 C ATOM 657 O GLY B 23 -4.752 2.360 -7.842 1.00 0.00 O ATOM 0 H GLY B 23 -4.440 4.895 -6.299 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -6.592 4.795 -7.368 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -5.844 5.065 -8.930 1.00 0.00 H new ATOM 661 N GLY B 24 -6.737 2.620 -8.858 1.00 0.00 N ATOM 662 CA GLY B 24 -6.933 1.184 -9.220 1.00 0.00 C ATOM 663 C GLY B 24 -7.005 1.066 -10.751 1.00 0.00 C ATOM 664 O GLY B 24 -6.865 2.054 -11.447 1.00 0.00 O ATOM 0 H GLY B 24 -7.500 3.229 -9.156 1.00 0.00 H new ATOM 0 HA2 GLY B 24 -6.111 0.581 -8.833 1.00 0.00 H new ATOM 0 HA3 GLY B 24 -7.849 0.802 -8.768 1.00 0.00 H new ATOM 668 N PHE B 25 -7.227 -0.135 -11.229 1.00 0.00 N ATOM 669 CA PHE B 25 -7.318 -0.388 -12.709 1.00 0.00 C ATOM 670 C PHE B 25 -8.702 -0.855 -13.193 1.00 0.00 C ATOM 671 O PHE B 25 -9.120 -1.968 -12.934 1.00 0.00 O ATOM 672 CB PHE B 25 -6.275 -1.464 -13.112 1.00 0.00 C ATOM 673 CG PHE B 25 -4.799 -1.005 -13.017 1.00 0.00 C ATOM 674 CD1 PHE B 25 -4.424 0.323 -12.883 1.00 0.00 C ATOM 675 CD2 PHE B 25 -3.803 -1.967 -13.085 1.00 0.00 C ATOM 676 CE1 PHE B 25 -3.093 0.678 -12.820 1.00 0.00 C ATOM 677 CE2 PHE B 25 -2.471 -1.612 -13.023 1.00 0.00 C ATOM 678 CZ PHE B 25 -2.115 -0.289 -12.890 1.00 0.00 C ATOM 0 H PHE B 25 -7.351 -0.965 -10.650 1.00 0.00 H new ATOM 0 HA PHE B 25 -7.124 0.574 -13.184 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.411 -2.338 -12.475 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.477 -1.781 -14.135 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -5.184 1.089 -12.827 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -4.073 -3.008 -13.188 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -2.817 1.717 -12.716 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -1.707 -2.373 -13.079 1.00 0.00 H new ATOM 0 HZ PHE B 25 -1.073 -0.010 -12.841 1.00 0.00 H new ATOM 688 N TYR B 26 -9.361 0.043 -13.882 1.00 0.00 N ATOM 689 CA TYR B 26 -10.721 -0.218 -14.453 1.00 0.00 C ATOM 690 C TYR B 26 -10.699 0.020 -15.971 1.00 0.00 C ATOM 691 O TYR B 26 -9.721 0.496 -16.514 1.00 0.00 O ATOM 692 CB TYR B 26 -11.752 0.726 -13.799 1.00 0.00 C ATOM 693 CG TYR B 26 -12.205 0.156 -12.448 1.00 0.00 C ATOM 694 CD1 TYR B 26 -11.387 0.176 -11.335 1.00 0.00 C ATOM 695 CD2 TYR B 26 -13.465 -0.399 -12.343 1.00 0.00 C ATOM 696 CE1 TYR B 26 -11.827 -0.351 -10.137 1.00 0.00 C ATOM 697 CE2 TYR B 26 -13.904 -0.926 -11.147 1.00 0.00 C ATOM 698 CZ TYR B 26 -13.087 -0.906 -10.034 1.00 0.00 C ATOM 699 OH TYR B 26 -13.531 -1.428 -8.836 1.00 0.00 O ATOM 0 H TYR B 26 -9.001 0.977 -14.079 1.00 0.00 H new ATOM 0 HA TYR B 26 -11.000 -1.252 -14.252 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -11.314 1.714 -13.657 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -12.612 0.850 -14.457 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -10.399 0.606 -11.402 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -14.113 -0.420 -13.207 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -11.180 -0.329 -9.273 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -14.892 -1.357 -11.080 1.00 0.00 H new ATOM 0 HH TYR B 26 -14.441 -1.775 -8.948 1.00 0.00 H new ATOM 709 N THR B 27 -11.795 -0.327 -16.600 1.00 0.00 N ATOM 710 CA THR B 27 -11.953 -0.166 -18.085 1.00 0.00 C ATOM 711 C THR B 27 -13.178 0.750 -18.349 1.00 0.00 C ATOM 712 O THR B 27 -13.807 1.173 -17.399 1.00 0.00 O ATOM 713 CB THR B 27 -12.145 -1.588 -18.695 1.00 0.00 C ATOM 714 OG1 THR B 27 -13.301 -2.119 -18.059 1.00 0.00 O ATOM 715 CG2 THR B 27 -11.003 -2.542 -18.272 1.00 0.00 C ATOM 0 H THR B 27 -12.610 -0.726 -16.135 1.00 0.00 H new ATOM 0 HA THR B 27 -11.081 0.297 -18.547 1.00 0.00 H new ATOM 0 HB THR B 27 -12.192 -1.512 -19.781 1.00 0.00 H new ATOM 0 HG1 THR B 27 -13.479 -3.019 -18.403 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.167 -3.525 -18.714 1.00 0.00 H new ATOM 0 HG22 THR B 27 -10.049 -2.143 -18.618 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.987 -2.631 -17.186 1.00 0.00 H new ATOM 723 N PRO B 28 -13.502 1.045 -19.593 1.00 0.00 N ATOM 724 CA PRO B 28 -14.705 1.848 -19.936 1.00 0.00 C ATOM 725 C PRO B 28 -15.892 0.913 -20.198 1.00 0.00 C ATOM 726 O PRO B 28 -16.715 0.711 -19.327 1.00 0.00 O ATOM 727 CB PRO B 28 -14.229 2.662 -21.145 1.00 0.00 C ATOM 728 CG PRO B 28 -13.133 1.784 -21.837 1.00 0.00 C ATOM 729 CD PRO B 28 -12.744 0.676 -20.819 1.00 0.00 C ATOM 0 HA PRO B 28 -15.076 2.512 -19.155 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -15.053 2.870 -21.827 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -13.822 3.624 -20.834 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -13.513 1.346 -22.760 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -12.265 2.387 -22.104 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -13.022 -0.315 -21.179 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -11.670 0.659 -20.636 1.00 0.00 H new ATOM 737 N LYS B 29 -15.936 0.377 -21.386 1.00 0.00 N ATOM 738 CA LYS B 29 -17.035 -0.561 -21.782 1.00 0.00 C ATOM 739 C LYS B 29 -16.461 -1.854 -22.368 1.00 0.00 C ATOM 740 O LYS B 29 -15.347 -1.885 -22.855 1.00 0.00 O ATOM 741 CB LYS B 29 -17.943 0.136 -22.823 1.00 0.00 C ATOM 742 CG LYS B 29 -18.844 1.206 -22.139 1.00 0.00 C ATOM 743 CD LYS B 29 -19.903 0.568 -21.183 1.00 0.00 C ATOM 744 CE LYS B 29 -20.912 -0.328 -21.947 1.00 0.00 C ATOM 745 NZ LYS B 29 -21.701 0.485 -22.917 1.00 0.00 N ATOM 0 H LYS B 29 -15.245 0.550 -22.116 1.00 0.00 H new ATOM 0 HA LYS B 29 -17.618 -0.820 -20.898 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -17.329 0.607 -23.591 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.566 -0.605 -23.324 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -18.218 1.897 -21.574 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -19.354 1.791 -22.904 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -19.394 -0.026 -20.423 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -20.443 1.358 -20.661 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -20.378 -1.118 -22.475 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -21.584 -0.814 -21.240 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -22.492 -0.083 -23.283 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -22.074 1.330 -22.439 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -21.088 0.775 -23.706 1.00 0.00 H new ATOM 759 N THR B 30 -17.268 -2.883 -22.291 1.00 0.00 N ATOM 760 CA THR B 30 -16.889 -4.238 -22.809 1.00 0.00 C ATOM 761 C THR B 30 -17.988 -4.782 -23.730 1.00 0.00 C ATOM 762 O THR B 30 -18.590 -4.077 -24.515 1.00 0.00 O ATOM 763 CB THR B 30 -16.669 -5.189 -21.603 1.00 0.00 C ATOM 764 OG1 THR B 30 -17.858 -5.092 -20.828 1.00 0.00 O ATOM 765 CG2 THR B 30 -15.533 -4.673 -20.692 1.00 0.00 C ATOM 0 H THR B 30 -18.200 -2.840 -21.879 1.00 0.00 H new ATOM 0 HA THR B 30 -15.969 -4.167 -23.389 1.00 0.00 H new ATOM 0 HB THR B 30 -16.430 -6.192 -21.956 1.00 0.00 H new ATOM 0 HG1 THR B 30 -17.786 -5.675 -20.044 1.00 0.00 H new ATOM 0 HG21 THR B 30 -15.399 -5.357 -19.854 1.00 0.00 H new ATOM 0 HG22 THR B 30 -14.607 -4.613 -21.264 1.00 0.00 H new ATOM 0 HG23 THR B 30 -15.791 -3.683 -20.314 1.00 0.00 H new TER 773 THR B 30