USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 438 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 NoAdj-H: A 16 HIS HE2 : A 16 HIS NE2 : A 53 ZNZN :(H bumps) USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 54 ZNZN :(H bumps) USER MOD Set 1.1: A 15 ASN : amide:sc= -6.73! C(o=-5.5!,f=-5.2!) USER MOD Set 1.2: A 42 THR OG1 : rot 115:sc= 1.24 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0675 USER MOD Single : A 9 ASN : amide:sc= -11.1! C(o=-11!,f=-14!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.27! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -148:sc= 0.375 (180deg=0.0902) USER MOD Single : A 46 GLN : amide:sc= -0.172 K(o=-0.17,f=-2.7!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.274 X(o=-0.27,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.668 13.524 -15.960 1.00 0.00 N ATOM 2 C SER A 1 -11.127 15.385 -15.218 1.00 0.00 C ATOM 3 O SER A 1 -12.034 14.661 -14.856 1.00 0.00 O ATOM 4 CB SER A 1 -10.747 14.846 -17.642 1.00 0.00 C ATOM 5 OG SER A 1 -11.470 16.044 -17.888 1.00 0.00 O ATOM 13 N ILE A 2 -10.988 16.589 -14.734 1.00 0.00 N ATOM 14 CA ILE A 2 -11.954 17.100 -13.717 1.00 0.00 C ATOM 15 C ILE A 2 -12.167 16.054 -12.617 1.00 0.00 C ATOM 16 O ILE A 2 -13.030 15.204 -12.716 1.00 0.00 O ATOM 17 CB ILE A 2 -13.253 17.338 -14.488 1.00 0.00 C ATOM 18 CG1 ILE A 2 -13.045 18.462 -15.506 1.00 0.00 C ATOM 19 CG2 ILE A 2 -14.360 17.734 -13.510 1.00 0.00 C ATOM 20 CD1 ILE A 2 -14.201 18.458 -16.509 1.00 0.00 C ATOM 0 H ILE A 2 -10.249 17.241 -14.997 1.00 0.00 H new ATOM 0 HA ILE A 2 -11.598 18.007 -13.229 1.00 0.00 H new ATOM 0 HB ILE A 2 -13.538 16.425 -15.010 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -12.994 19.424 -14.997 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -12.097 18.326 -16.026 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -15.286 17.904 -14.059 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -14.509 16.933 -12.785 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -14.075 18.647 -12.988 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -14.055 19.258 -17.235 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -14.231 17.499 -17.026 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -15.142 18.614 -15.981 1.00 0.00 H new ATOM 32 N SER A 3 -11.388 16.111 -11.572 1.00 0.00 N ATOM 33 CA SER A 3 -11.550 15.118 -10.469 1.00 0.00 C ATOM 34 C SER A 3 -11.215 15.763 -9.121 1.00 0.00 C ATOM 35 O SER A 3 -10.423 15.239 -8.362 1.00 0.00 O ATOM 36 CB SER A 3 -10.556 14.005 -10.791 1.00 0.00 C ATOM 37 OG SER A 3 -9.367 14.575 -11.323 1.00 0.00 O ATOM 0 H SER A 3 -10.648 16.799 -11.433 1.00 0.00 H new ATOM 0 HA SER A 3 -12.572 14.745 -10.396 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.328 13.434 -9.891 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.992 13.309 -11.508 1.00 0.00 H new ATOM 0 HG SER A 3 -8.726 13.863 -11.529 1.00 0.00 H new ATOM 43 N PRO A 4 -11.833 16.884 -8.869 1.00 0.00 N ATOM 44 CA PRO A 4 -11.603 17.613 -7.598 1.00 0.00 C ATOM 45 C PRO A 4 -12.268 16.878 -6.431 1.00 0.00 C ATOM 46 O PRO A 4 -11.624 16.517 -5.466 1.00 0.00 O ATOM 47 CB PRO A 4 -12.267 18.967 -7.838 1.00 0.00 C ATOM 48 CG PRO A 4 -13.301 18.711 -8.887 1.00 0.00 C ATOM 49 CD PRO A 4 -12.798 17.571 -9.735 1.00 0.00 C ATOM 0 HA PRO A 4 -10.548 17.700 -7.338 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -12.719 19.352 -6.924 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.541 19.709 -8.172 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -14.258 18.459 -8.431 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -13.462 19.601 -9.495 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -13.609 16.907 -10.034 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -12.328 17.931 -10.650 1.00 0.00 H new ATOM 57 N ARG A 5 -13.551 16.652 -6.512 1.00 0.00 N ATOM 58 CA ARG A 5 -14.253 15.939 -5.405 1.00 0.00 C ATOM 59 C ARG A 5 -15.581 15.361 -5.904 1.00 0.00 C ATOM 60 O ARG A 5 -16.630 15.625 -5.351 1.00 0.00 O ATOM 61 CB ARG A 5 -14.499 17.009 -4.340 1.00 0.00 C ATOM 62 CG ARG A 5 -13.444 16.885 -3.239 1.00 0.00 C ATOM 63 CD ARG A 5 -12.584 18.153 -3.212 1.00 0.00 C ATOM 64 NE ARG A 5 -13.492 19.221 -2.711 1.00 0.00 N ATOM 65 CZ ARG A 5 -13.516 19.515 -1.440 1.00 0.00 C ATOM 66 NH1 ARG A 5 -14.121 18.721 -0.598 1.00 0.00 N ATOM 67 NH2 ARG A 5 -12.935 20.602 -1.010 1.00 0.00 N ATOM 0 H ARG A 5 -14.143 16.929 -7.295 1.00 0.00 H new ATOM 0 HA ARG A 5 -13.671 15.103 -5.017 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.456 18.001 -4.789 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -15.497 16.894 -3.917 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.927 16.739 -2.273 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.817 16.011 -3.417 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.720 18.031 -2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.202 18.393 -4.204 1.00 0.00 H new ATOM 0 HE ARG A 5 -14.096 19.723 -3.362 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -14.575 17.871 -0.934 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.140 18.950 0.396 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -12.462 21.222 -1.668 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -12.954 20.832 -0.016 1.00 0.00 H new ATOM 81 N THR A 6 -15.543 14.574 -6.946 1.00 0.00 N ATOM 82 CA THR A 6 -16.805 13.982 -7.477 1.00 0.00 C ATOM 83 C THR A 6 -16.916 12.510 -7.070 1.00 0.00 C ATOM 84 O THR A 6 -15.920 11.838 -6.887 1.00 0.00 O ATOM 85 CB THR A 6 -16.696 14.108 -8.997 1.00 0.00 C ATOM 86 OG1 THR A 6 -15.325 14.115 -9.373 1.00 0.00 O ATOM 87 CG2 THR A 6 -17.358 15.409 -9.452 1.00 0.00 C ATOM 0 H THR A 6 -14.695 14.316 -7.451 1.00 0.00 H new ATOM 0 HA THR A 6 -17.689 14.486 -7.087 1.00 0.00 H new ATOM 0 HB THR A 6 -17.198 13.264 -9.469 1.00 0.00 H new ATOM 0 HG1 THR A 6 -15.253 14.194 -10.347 1.00 0.00 H new ATOM 0 HG21 THR A 6 -17.280 15.498 -10.536 1.00 0.00 H new ATOM 0 HG22 THR A 6 -18.409 15.403 -9.164 1.00 0.00 H new ATOM 0 HG23 THR A 6 -16.858 16.256 -8.982 1.00 0.00 H new ATOM 95 N PRO A 7 -18.134 12.062 -6.944 1.00 0.00 N ATOM 96 CA PRO A 7 -18.398 10.653 -6.557 1.00 0.00 C ATOM 97 C PRO A 7 -18.075 9.707 -7.719 1.00 0.00 C ATOM 98 O PRO A 7 -18.176 10.081 -8.870 1.00 0.00 O ATOM 99 CB PRO A 7 -19.892 10.643 -6.249 1.00 0.00 C ATOM 100 CG PRO A 7 -20.455 11.781 -7.039 1.00 0.00 C ATOM 101 CD PRO A 7 -19.373 12.819 -7.150 1.00 0.00 C ATOM 0 HA PRO A 7 -17.790 10.318 -5.716 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -20.349 9.697 -6.539 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -20.076 10.773 -5.183 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -20.770 11.446 -8.027 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -21.336 12.193 -6.547 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -19.386 13.306 -8.125 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -19.492 13.602 -6.401 1.00 0.00 H new ATOM 109 N PRO A 8 -17.692 8.508 -7.373 1.00 0.00 N ATOM 110 CA PRO A 8 -17.343 7.495 -8.394 1.00 0.00 C ATOM 111 C PRO A 8 -18.602 6.866 -8.999 1.00 0.00 C ATOM 112 O PRO A 8 -18.747 5.661 -9.025 1.00 0.00 O ATOM 113 CB PRO A 8 -16.549 6.457 -7.610 1.00 0.00 C ATOM 114 CG PRO A 8 -17.008 6.592 -6.190 1.00 0.00 C ATOM 115 CD PRO A 8 -17.543 7.992 -6.008 1.00 0.00 C ATOM 0 HA PRO A 8 -16.788 7.917 -9.232 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -16.735 5.452 -7.989 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -15.477 6.636 -7.695 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -17.780 5.856 -5.967 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -16.183 6.406 -5.503 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -18.496 7.987 -5.479 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -16.858 8.606 -5.424 1.00 0.00 H new ATOM 123 N ASN A 9 -19.498 7.677 -9.496 1.00 0.00 N ATOM 124 CA ASN A 9 -20.754 7.149 -10.122 1.00 0.00 C ATOM 125 C ASN A 9 -21.433 6.103 -9.233 1.00 0.00 C ATOM 126 O ASN A 9 -20.897 5.662 -8.237 1.00 0.00 O ATOM 127 CB ASN A 9 -20.308 6.538 -11.458 1.00 0.00 C ATOM 128 CG ASN A 9 -19.816 5.103 -11.252 1.00 0.00 C ATOM 129 OD1 ASN A 9 -20.587 4.228 -10.912 1.00 0.00 O ATOM 130 ND2 ASN A 9 -18.556 4.825 -11.441 1.00 0.00 N ATOM 0 H ASN A 9 -19.416 8.694 -9.497 1.00 0.00 H new ATOM 0 HA ASN A 9 -21.494 7.937 -10.260 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -21.138 6.546 -12.164 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -19.513 7.143 -11.894 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -18.218 3.873 -11.303 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -17.909 5.560 -11.727 1.00 0.00 H new ATOM 137 N CYS A 10 -22.619 5.708 -9.602 1.00 0.00 N ATOM 138 CA CYS A 10 -23.356 4.689 -8.806 1.00 0.00 C ATOM 139 C CYS A 10 -22.834 3.297 -9.166 1.00 0.00 C ATOM 140 O CYS A 10 -22.582 3.001 -10.321 1.00 0.00 O ATOM 141 CB CYS A 10 -24.812 4.830 -9.243 1.00 0.00 C ATOM 142 SG CYS A 10 -25.784 3.496 -8.524 1.00 0.00 S ATOM 0 H CYS A 10 -23.112 6.050 -10.427 1.00 0.00 H new ATOM 0 HA CYS A 10 -23.237 4.824 -7.731 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -25.207 5.795 -8.925 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -24.881 4.800 -10.330 1.00 0.00 H new ATOM 147 N ALA A 11 -22.656 2.435 -8.204 1.00 0.00 N ATOM 148 CA ALA A 11 -22.133 1.085 -8.546 1.00 0.00 C ATOM 149 C ALA A 11 -23.267 0.125 -8.910 1.00 0.00 C ATOM 150 O ALA A 11 -23.083 -0.822 -9.644 1.00 0.00 O ATOM 151 CB ALA A 11 -21.386 0.592 -7.310 1.00 0.00 C ATOM 0 H ALA A 11 -22.846 2.602 -7.216 1.00 0.00 H new ATOM 0 HA ALA A 11 -21.478 1.132 -9.416 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -20.978 -0.400 -7.503 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -20.573 1.280 -7.078 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -22.073 0.544 -6.465 1.00 0.00 H new ATOM 157 N ARG A 12 -24.435 0.366 -8.425 1.00 0.00 N ATOM 158 CA ARG A 12 -25.565 -0.527 -8.773 1.00 0.00 C ATOM 159 C ARG A 12 -25.735 -0.560 -10.276 1.00 0.00 C ATOM 160 O ARG A 12 -25.883 -1.603 -10.882 1.00 0.00 O ATOM 161 CB ARG A 12 -26.765 0.140 -8.125 1.00 0.00 C ATOM 162 CG ARG A 12 -27.990 -0.750 -8.283 1.00 0.00 C ATOM 163 CD ARG A 12 -28.046 -1.769 -7.140 1.00 0.00 C ATOM 164 NE ARG A 12 -27.866 -0.972 -5.894 1.00 0.00 N ATOM 165 CZ ARG A 12 -28.778 -0.112 -5.529 1.00 0.00 C ATOM 166 NH1 ARG A 12 -29.861 -0.524 -4.930 1.00 0.00 N ATOM 167 NH2 ARG A 12 -28.605 1.160 -5.763 1.00 0.00 N ATOM 0 H ARG A 12 -24.663 1.141 -7.802 1.00 0.00 H new ATOM 0 HA ARG A 12 -25.424 -1.555 -8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -26.567 0.320 -7.068 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -26.947 1.111 -8.585 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -28.894 -0.142 -8.284 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -27.953 -1.268 -9.242 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -28.998 -2.300 -7.133 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -27.262 -2.520 -7.243 1.00 0.00 H new ATOM 0 HE ARG A 12 -27.029 -1.099 -5.325 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -29.996 -1.518 -4.747 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -30.573 0.148 -4.645 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -27.758 1.482 -6.231 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -29.317 1.832 -5.478 1.00 0.00 H new ATOM 181 N CYS A 13 -25.745 0.582 -10.877 1.00 0.00 N ATOM 182 CA CYS A 13 -25.941 0.628 -12.349 1.00 0.00 C ATOM 183 C CYS A 13 -24.630 0.394 -13.138 1.00 0.00 C ATOM 184 O CYS A 13 -24.675 -0.040 -14.275 1.00 0.00 O ATOM 185 CB CYS A 13 -26.552 2.009 -12.617 1.00 0.00 C ATOM 186 SG CYS A 13 -25.456 3.278 -12.040 1.00 0.00 S ATOM 0 H CYS A 13 -25.627 1.487 -10.421 1.00 0.00 H new ATOM 0 HA CYS A 13 -26.591 -0.177 -12.692 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -26.736 2.134 -13.684 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -27.516 2.093 -12.115 1.00 0.00 H new ATOM 191 N ARG A 14 -23.455 0.626 -12.587 1.00 0.00 N ATOM 192 CA ARG A 14 -22.240 0.340 -13.429 1.00 0.00 C ATOM 193 C ARG A 14 -22.163 -1.153 -13.711 1.00 0.00 C ATOM 194 O ARG A 14 -21.587 -1.593 -14.687 1.00 0.00 O ATOM 195 CB ARG A 14 -21.006 0.768 -12.629 1.00 0.00 C ATOM 196 CG ARG A 14 -21.041 0.155 -11.231 1.00 0.00 C ATOM 197 CD ARG A 14 -20.801 -1.356 -11.259 1.00 0.00 C ATOM 198 NE ARG A 14 -19.660 -1.572 -10.328 1.00 0.00 N ATOM 199 CZ ARG A 14 -19.160 -2.766 -10.169 1.00 0.00 C ATOM 200 NH1 ARG A 14 -19.054 -3.572 -11.190 1.00 0.00 N ATOM 201 NH2 ARG A 14 -18.761 -3.152 -8.989 1.00 0.00 N ATOM 0 H ARG A 14 -23.287 0.981 -11.645 1.00 0.00 H new ATOM 0 HA ARG A 14 -22.292 0.880 -14.374 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -20.101 0.454 -13.148 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -20.971 1.855 -12.556 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -20.283 0.630 -10.608 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -22.007 0.360 -10.770 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -21.686 -1.904 -10.935 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -20.563 -1.701 -12.265 1.00 0.00 H new ATOM 0 HE ARG A 14 -19.268 -0.784 -9.813 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -19.362 -3.268 -12.114 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -18.663 -4.506 -11.064 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -18.840 -2.520 -8.192 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -18.370 -4.086 -8.863 1.00 0.00 H new ATOM 215 N ASN A 15 -22.719 -1.933 -12.838 1.00 0.00 N ATOM 216 CA ASN A 15 -22.675 -3.403 -12.998 1.00 0.00 C ATOM 217 C ASN A 15 -23.028 -3.771 -14.425 1.00 0.00 C ATOM 218 O ASN A 15 -22.526 -4.719 -14.995 1.00 0.00 O ATOM 219 CB ASN A 15 -23.745 -3.893 -12.037 1.00 0.00 C ATOM 220 CG ASN A 15 -23.245 -3.693 -10.617 1.00 0.00 C ATOM 221 OD1 ASN A 15 -22.161 -4.117 -10.269 1.00 0.00 O ATOM 222 ND2 ASN A 15 -24.002 -3.058 -9.776 1.00 0.00 N ATOM 0 H ASN A 15 -23.211 -1.608 -12.006 1.00 0.00 H new ATOM 0 HA ASN A 15 -21.696 -3.837 -12.794 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -24.674 -3.344 -12.192 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -23.963 -4.946 -12.217 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -23.688 -2.912 -8.817 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -24.911 -2.704 -10.074 1.00 0.00 H new ATOM 229 N HIS A 16 -23.916 -3.023 -14.985 1.00 0.00 N ATOM 230 CA HIS A 16 -24.371 -3.288 -16.370 1.00 0.00 C ATOM 231 C HIS A 16 -23.689 -2.347 -17.365 1.00 0.00 C ATOM 232 O HIS A 16 -23.772 -2.532 -18.563 1.00 0.00 O ATOM 233 CB HIS A 16 -25.866 -3.042 -16.279 1.00 0.00 C ATOM 234 CG HIS A 16 -26.425 -4.029 -15.320 1.00 0.00 C ATOM 235 ND1 HIS A 16 -27.031 -5.210 -15.733 1.00 0.00 N ATOM 236 CD2 HIS A 16 -26.434 -4.051 -13.960 1.00 0.00 C ATOM 237 CE1 HIS A 16 -27.373 -5.889 -14.627 1.00 0.00 C ATOM 238 NE2 HIS A 16 -27.033 -5.220 -13.529 1.00 0.00 N ATOM 0 H HIS A 16 -24.358 -2.221 -14.536 1.00 0.00 H new ATOM 0 HA HIS A 16 -24.128 -4.288 -16.730 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -26.067 -2.025 -15.943 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -26.333 -3.152 -17.258 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -27.187 -5.505 -16.697 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -26.036 -3.278 -13.319 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -27.861 -6.853 -14.628 1.00 0.00 H new ATOM 246 N GLY A 17 -23.007 -1.346 -16.883 1.00 0.00 N ATOM 247 CA GLY A 17 -22.316 -0.407 -17.814 1.00 0.00 C ATOM 248 C GLY A 17 -22.970 0.966 -17.718 1.00 0.00 C ATOM 249 O GLY A 17 -23.021 1.713 -18.675 1.00 0.00 O ATOM 0 H GLY A 17 -22.898 -1.137 -15.891 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -21.258 -0.338 -17.561 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -22.375 -0.780 -18.836 1.00 0.00 H new ATOM 253 N LEU A 18 -23.477 1.296 -16.568 1.00 0.00 N ATOM 254 CA LEU A 18 -24.141 2.613 -16.394 1.00 0.00 C ATOM 255 C LEU A 18 -23.195 3.584 -15.674 1.00 0.00 C ATOM 256 O LEU A 18 -22.302 3.176 -14.960 1.00 0.00 O ATOM 257 CB LEU A 18 -25.365 2.294 -15.537 1.00 0.00 C ATOM 258 CG LEU A 18 -26.573 3.077 -16.042 1.00 0.00 C ATOM 259 CD1 LEU A 18 -26.312 4.567 -15.871 1.00 0.00 C ATOM 260 CD2 LEU A 18 -26.803 2.765 -17.521 1.00 0.00 C ATOM 0 H LEU A 18 -23.460 0.707 -15.736 1.00 0.00 H new ATOM 0 HA LEU A 18 -24.412 3.091 -17.336 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -25.574 1.225 -15.571 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -25.166 2.547 -14.496 1.00 0.00 H new ATOM 0 HG LEU A 18 -27.457 2.793 -15.472 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -27.173 5.131 -16.231 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -26.148 4.789 -14.817 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -25.428 4.850 -16.443 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -27.666 3.325 -17.881 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -25.921 3.050 -18.094 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -26.986 1.697 -17.643 1.00 0.00 H new ATOM 272 N LYS A 19 -23.388 4.863 -15.856 1.00 0.00 N ATOM 273 CA LYS A 19 -22.509 5.866 -15.188 1.00 0.00 C ATOM 274 C LYS A 19 -23.295 7.162 -14.995 1.00 0.00 C ATOM 275 O LYS A 19 -23.362 8.004 -15.868 1.00 0.00 O ATOM 276 CB LYS A 19 -21.335 6.076 -16.146 1.00 0.00 C ATOM 277 CG LYS A 19 -20.027 6.133 -15.349 1.00 0.00 C ATOM 278 CD LYS A 19 -19.841 4.830 -14.567 1.00 0.00 C ATOM 279 CE LYS A 19 -18.358 4.450 -14.556 1.00 0.00 C ATOM 280 NZ LYS A 19 -18.295 3.138 -15.257 1.00 0.00 N ATOM 0 H LYS A 19 -24.122 5.259 -16.443 1.00 0.00 H new ATOM 0 HA LYS A 19 -22.161 5.542 -14.207 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -21.295 5.264 -16.872 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.471 7.000 -16.708 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.185 6.286 -16.024 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.044 6.980 -14.664 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.204 4.951 -13.546 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.429 4.033 -15.022 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.754 5.200 -15.066 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.977 4.373 -13.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.309 2.809 -15.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.874 2.443 -14.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.658 3.244 -16.226 1.00 0.00 H new ATOM 294 N ILE A 20 -23.924 7.298 -13.868 1.00 0.00 N ATOM 295 CA ILE A 20 -24.759 8.509 -13.603 1.00 0.00 C ATOM 296 C ILE A 20 -24.058 9.458 -12.611 1.00 0.00 C ATOM 297 O ILE A 20 -24.573 10.511 -12.295 1.00 0.00 O ATOM 298 CB ILE A 20 -26.094 7.952 -13.032 1.00 0.00 C ATOM 299 CG1 ILE A 20 -26.183 8.144 -11.522 1.00 0.00 C ATOM 300 CG2 ILE A 20 -26.264 6.471 -13.392 1.00 0.00 C ATOM 301 CD1 ILE A 20 -25.586 6.947 -10.830 1.00 0.00 C ATOM 0 H ILE A 20 -23.899 6.619 -13.107 1.00 0.00 H new ATOM 0 HA ILE A 20 -24.926 9.104 -14.501 1.00 0.00 H new ATOM 0 HB ILE A 20 -26.905 8.519 -13.489 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -25.653 9.050 -11.228 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -27.223 8.271 -11.221 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -27.205 6.103 -12.982 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -26.272 6.359 -14.476 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -25.437 5.898 -12.974 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -25.649 7.082 -9.750 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -26.135 6.050 -11.116 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -24.541 6.841 -11.122 1.00 0.00 H new ATOM 313 N THR A 21 -22.912 9.077 -12.100 1.00 0.00 N ATOM 314 CA THR A 21 -22.181 9.940 -11.099 1.00 0.00 C ATOM 315 C THR A 21 -22.808 9.778 -9.700 1.00 0.00 C ATOM 316 O THR A 21 -22.367 10.361 -8.732 1.00 0.00 O ATOM 317 CB THR A 21 -22.328 11.381 -11.587 1.00 0.00 C ATOM 318 OG1 THR A 21 -22.335 11.401 -13.008 1.00 0.00 O ATOM 319 CG2 THR A 21 -21.162 12.223 -11.066 1.00 0.00 C ATOM 0 H THR A 21 -22.443 8.201 -12.330 1.00 0.00 H new ATOM 0 HA THR A 21 -21.131 9.657 -11.020 1.00 0.00 H new ATOM 0 HB THR A 21 -23.264 11.796 -11.214 1.00 0.00 H new ATOM 0 HG1 THR A 21 -22.431 12.324 -13.322 1.00 0.00 H new ATOM 0 HG21 THR A 21 -21.270 13.250 -11.416 1.00 0.00 H new ATOM 0 HG22 THR A 21 -21.162 12.209 -9.976 1.00 0.00 H new ATOM 0 HG23 THR A 21 -20.223 11.811 -11.434 1.00 0.00 H new ATOM 327 N LEU A 22 -23.831 8.980 -9.608 1.00 0.00 N ATOM 328 CA LEU A 22 -24.528 8.731 -8.299 1.00 0.00 C ATOM 329 C LEU A 22 -24.939 10.043 -7.616 1.00 0.00 C ATOM 330 O LEU A 22 -25.325 10.056 -6.464 1.00 0.00 O ATOM 331 CB LEU A 22 -23.516 7.950 -7.457 1.00 0.00 C ATOM 332 CG LEU A 22 -23.922 7.973 -5.981 1.00 0.00 C ATOM 333 CD1 LEU A 22 -25.390 7.563 -5.841 1.00 0.00 C ATOM 334 CD2 LEU A 22 -23.046 6.988 -5.203 1.00 0.00 C ATOM 0 H LEU A 22 -24.229 8.474 -10.399 1.00 0.00 H new ATOM 0 HA LEU A 22 -25.457 8.178 -8.434 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -23.458 6.920 -7.809 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -22.523 8.384 -7.575 1.00 0.00 H new ATOM 0 HG LEU A 22 -23.790 8.980 -5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -25.674 7.581 -4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -26.017 8.259 -6.398 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -25.526 6.556 -6.236 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -23.331 7.000 -4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -23.183 5.984 -5.604 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -22.000 7.277 -5.299 1.00 0.00 H new ATOM 346 N LYS A 23 -24.904 11.143 -8.313 1.00 0.00 N ATOM 347 CA LYS A 23 -25.338 12.420 -7.680 1.00 0.00 C ATOM 348 C LYS A 23 -26.867 12.456 -7.669 1.00 0.00 C ATOM 349 O LYS A 23 -27.495 12.451 -8.710 1.00 0.00 O ATOM 350 CB LYS A 23 -24.769 13.524 -8.572 1.00 0.00 C ATOM 351 CG LYS A 23 -25.059 14.891 -7.948 1.00 0.00 C ATOM 352 CD LYS A 23 -24.022 15.905 -8.437 1.00 0.00 C ATOM 353 CE LYS A 23 -23.971 17.090 -7.470 1.00 0.00 C ATOM 354 NZ LYS A 23 -22.520 17.364 -7.273 1.00 0.00 N ATOM 0 H LYS A 23 -24.597 11.215 -9.283 1.00 0.00 H new ATOM 0 HA LYS A 23 -24.993 12.535 -6.652 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -23.694 13.389 -8.693 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -25.212 13.466 -9.566 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -26.062 15.221 -8.219 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -25.030 14.820 -6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -23.041 15.434 -8.504 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -24.279 16.250 -9.438 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -24.484 17.959 -7.883 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -24.459 16.850 -6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -22.404 18.165 -6.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -22.059 16.522 -6.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -22.083 17.596 -8.188 1.00 0.00 H new ATOM 368 N GLY A 24 -27.485 12.451 -6.513 1.00 0.00 N ATOM 369 CA GLY A 24 -28.978 12.438 -6.490 1.00 0.00 C ATOM 370 C GLY A 24 -29.422 11.333 -7.445 1.00 0.00 C ATOM 371 O GLY A 24 -29.897 11.589 -8.534 1.00 0.00 O ATOM 0 H GLY A 24 -27.029 12.455 -5.601 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -29.348 12.250 -5.482 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -29.378 13.403 -6.802 1.00 0.00 H new ATOM 375 N HIS A 25 -29.207 10.103 -7.069 1.00 0.00 N ATOM 376 CA HIS A 25 -29.545 8.977 -7.982 1.00 0.00 C ATOM 377 C HIS A 25 -30.229 7.823 -7.235 1.00 0.00 C ATOM 378 O HIS A 25 -31.410 7.871 -6.957 1.00 0.00 O ATOM 379 CB HIS A 25 -28.172 8.561 -8.499 1.00 0.00 C ATOM 380 CG HIS A 25 -28.266 7.360 -9.392 1.00 0.00 C ATOM 381 ND1 HIS A 25 -28.922 7.389 -10.612 1.00 0.00 N ATOM 382 CD2 HIS A 25 -27.686 6.121 -9.310 1.00 0.00 C ATOM 383 CE1 HIS A 25 -28.699 6.206 -11.210 1.00 0.00 C ATOM 384 NE2 HIS A 25 -27.963 5.405 -10.452 1.00 0.00 N ATOM 0 H HIS A 25 -28.812 9.829 -6.169 1.00 0.00 H new ATOM 0 HA HIS A 25 -30.249 9.253 -8.767 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -27.721 9.389 -9.046 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -27.516 8.340 -7.657 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -29.471 8.163 -10.986 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -27.101 5.761 -8.476 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -29.073 5.941 -12.188 1.00 0.00 H new ATOM 392 N LYS A 26 -29.501 6.779 -6.925 1.00 0.00 N ATOM 393 CA LYS A 26 -30.112 5.619 -6.221 1.00 0.00 C ATOM 394 C LYS A 26 -31.490 5.307 -6.812 1.00 0.00 C ATOM 395 O LYS A 26 -31.607 4.583 -7.780 1.00 0.00 O ATOM 396 CB LYS A 26 -30.227 6.048 -4.759 1.00 0.00 C ATOM 397 CG LYS A 26 -29.015 5.528 -3.984 1.00 0.00 C ATOM 398 CD LYS A 26 -29.144 5.913 -2.509 1.00 0.00 C ATOM 399 CE LYS A 26 -29.404 4.655 -1.676 1.00 0.00 C ATOM 400 NZ LYS A 26 -28.058 4.217 -1.209 1.00 0.00 N ATOM 0 H LYS A 26 -28.507 6.684 -7.132 1.00 0.00 H new ATOM 0 HA LYS A 26 -29.515 4.713 -6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -30.279 7.135 -4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -31.147 5.657 -4.324 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -28.945 4.445 -4.083 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -28.098 5.946 -4.400 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -28.233 6.406 -2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -29.959 6.625 -2.377 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -30.064 4.868 -0.835 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -29.887 3.880 -2.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -28.154 3.358 -0.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -27.454 4.015 -2.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -27.626 4.972 -0.639 1.00 0.00 H new ATOM 414 N ARG A 27 -32.535 5.848 -6.247 1.00 0.00 N ATOM 415 CA ARG A 27 -33.894 5.573 -6.797 1.00 0.00 C ATOM 416 C ARG A 27 -33.883 5.755 -8.317 1.00 0.00 C ATOM 417 O ARG A 27 -34.599 5.091 -9.039 1.00 0.00 O ATOM 418 CB ARG A 27 -34.810 6.604 -6.136 1.00 0.00 C ATOM 419 CG ARG A 27 -36.256 6.108 -6.196 1.00 0.00 C ATOM 420 CD ARG A 27 -36.446 4.969 -5.193 1.00 0.00 C ATOM 421 NE ARG A 27 -37.914 4.906 -4.956 1.00 0.00 N ATOM 422 CZ ARG A 27 -38.416 5.382 -3.850 1.00 0.00 C ATOM 423 NH1 ARG A 27 -38.282 6.648 -3.563 1.00 0.00 N ATOM 424 NH2 ARG A 27 -39.052 4.592 -3.029 1.00 0.00 N ATOM 0 H ARG A 27 -32.508 6.464 -5.434 1.00 0.00 H new ATOM 0 HA ARG A 27 -34.227 4.554 -6.597 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -34.510 6.762 -5.100 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -34.722 7.564 -6.644 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -36.942 6.925 -5.969 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -36.492 5.764 -7.203 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -36.069 4.026 -5.590 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -35.905 5.164 -4.267 1.00 0.00 H new ATOM 0 HE ARG A 27 -38.527 4.491 -5.658 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -37.784 7.266 -4.204 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -38.675 7.019 -2.698 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -39.157 3.602 -3.252 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -39.444 4.964 -2.164 1.00 0.00 H new ATOM 438 N TYR A 28 -33.069 6.651 -8.805 1.00 0.00 N ATOM 439 CA TYR A 28 -32.998 6.881 -10.277 1.00 0.00 C ATOM 440 C TYR A 28 -32.213 5.755 -10.946 1.00 0.00 C ATOM 441 O TYR A 28 -32.250 5.583 -12.148 1.00 0.00 O ATOM 442 CB TYR A 28 -32.248 8.204 -10.428 1.00 0.00 C ATOM 443 CG TYR A 28 -33.116 9.334 -9.930 1.00 0.00 C ATOM 444 CD1 TYR A 28 -34.268 9.695 -10.638 1.00 0.00 C ATOM 445 CD2 TYR A 28 -32.769 10.019 -8.759 1.00 0.00 C ATOM 446 CE1 TYR A 28 -35.072 10.743 -10.177 1.00 0.00 C ATOM 447 CE2 TYR A 28 -33.574 11.067 -8.299 1.00 0.00 C ATOM 448 CZ TYR A 28 -34.726 11.429 -9.007 1.00 0.00 C ATOM 449 OH TYR A 28 -35.520 12.463 -8.552 1.00 0.00 O ATOM 0 H TYR A 28 -32.448 7.236 -8.246 1.00 0.00 H new ATOM 0 HA TYR A 28 -33.984 6.908 -10.741 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -31.315 8.172 -9.865 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -31.984 8.367 -11.473 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -34.536 9.165 -11.540 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -31.881 9.739 -8.212 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -35.960 11.023 -10.724 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -33.306 11.597 -7.397 1.00 0.00 H new ATOM 0 HH TYR A 28 -35.138 12.830 -7.728 1.00 0.00 H new ATOM 459 N CYS A 29 -31.493 4.996 -10.171 1.00 0.00 N ATOM 460 CA CYS A 29 -30.689 3.887 -10.751 1.00 0.00 C ATOM 461 C CYS A 29 -31.532 3.003 -11.662 1.00 0.00 C ATOM 462 O CYS A 29 -32.702 2.775 -11.436 1.00 0.00 O ATOM 463 CB CYS A 29 -30.203 3.055 -9.553 1.00 0.00 C ATOM 464 SG CYS A 29 -28.741 2.100 -10.035 1.00 0.00 S ATOM 0 H CYS A 29 -31.426 5.096 -9.158 1.00 0.00 H new ATOM 0 HA CYS A 29 -29.870 4.283 -11.352 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -29.963 3.710 -8.715 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -30.994 2.385 -9.217 1.00 0.00 H new ATOM 469 N LYS A 30 -30.918 2.454 -12.659 1.00 0.00 N ATOM 470 CA LYS A 30 -31.642 1.507 -13.542 1.00 0.00 C ATOM 471 C LYS A 30 -31.350 0.103 -12.987 1.00 0.00 C ATOM 472 O LYS A 30 -31.676 -0.910 -13.573 1.00 0.00 O ATOM 473 CB LYS A 30 -31.034 1.718 -14.934 1.00 0.00 C ATOM 474 CG LYS A 30 -31.267 0.487 -15.818 1.00 0.00 C ATOM 475 CD LYS A 30 -32.763 0.241 -16.007 1.00 0.00 C ATOM 476 CE LYS A 30 -33.495 1.570 -16.219 1.00 0.00 C ATOM 477 NZ LYS A 30 -34.737 1.213 -16.961 1.00 0.00 N ATOM 0 H LYS A 30 -29.942 2.619 -12.905 1.00 0.00 H new ATOM 0 HA LYS A 30 -32.722 1.645 -13.591 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -31.478 2.597 -15.401 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -29.965 1.911 -14.844 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -30.791 0.633 -16.788 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -30.803 -0.388 -15.363 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -32.926 -0.413 -16.864 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -33.168 -0.270 -15.134 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -33.728 2.048 -15.268 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -32.884 2.271 -16.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -35.292 2.073 -17.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -34.485 0.766 -17.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -35.302 0.550 -16.393 1.00 0.00 H new ATOM 491 N PHE A 31 -30.707 0.070 -11.837 1.00 0.00 N ATOM 492 CA PHE A 31 -30.326 -1.210 -11.176 1.00 0.00 C ATOM 493 C PHE A 31 -30.530 -1.076 -9.659 1.00 0.00 C ATOM 494 O PHE A 31 -30.141 -1.932 -8.890 1.00 0.00 O ATOM 495 CB PHE A 31 -28.840 -1.341 -11.545 1.00 0.00 C ATOM 496 CG PHE A 31 -28.759 -1.276 -13.044 1.00 0.00 C ATOM 497 CD1 PHE A 31 -28.634 -0.036 -13.679 1.00 0.00 C ATOM 498 CD2 PHE A 31 -28.854 -2.445 -13.800 1.00 0.00 C ATOM 499 CE1 PHE A 31 -28.593 0.035 -15.069 1.00 0.00 C ATOM 500 CE2 PHE A 31 -28.824 -2.376 -15.193 1.00 0.00 C ATOM 501 CZ PHE A 31 -28.692 -1.136 -15.832 1.00 0.00 C ATOM 0 H PHE A 31 -30.427 0.905 -11.322 1.00 0.00 H new ATOM 0 HA PHE A 31 -30.909 -2.078 -11.482 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -28.257 -0.540 -11.091 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -28.431 -2.282 -11.176 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -28.569 0.867 -13.091 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -28.951 -3.401 -13.308 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -28.485 0.992 -15.558 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -28.903 -3.279 -15.780 1.00 0.00 H new ATOM 0 HZ PHE A 31 -28.667 -1.083 -16.910 1.00 0.00 H new ATOM 511 N ARG A 32 -31.147 0.004 -9.230 1.00 0.00 N ATOM 512 CA ARG A 32 -31.379 0.216 -7.766 1.00 0.00 C ATOM 513 C ARG A 32 -31.999 -1.026 -7.128 1.00 0.00 C ATOM 514 O ARG A 32 -31.970 -1.202 -5.927 1.00 0.00 O ATOM 515 CB ARG A 32 -32.348 1.407 -7.617 1.00 0.00 C ATOM 516 CG ARG A 32 -33.264 1.571 -8.840 1.00 0.00 C ATOM 517 CD ARG A 32 -33.832 0.223 -9.290 1.00 0.00 C ATOM 518 NE ARG A 32 -35.124 0.557 -9.954 1.00 0.00 N ATOM 519 CZ ARG A 32 -35.229 0.485 -11.252 1.00 0.00 C ATOM 520 NH1 ARG A 32 -34.588 1.335 -12.007 1.00 0.00 N ATOM 521 NH2 ARG A 32 -35.980 -0.434 -11.797 1.00 0.00 N ATOM 0 H ARG A 32 -31.499 0.747 -9.834 1.00 0.00 H new ATOM 0 HA ARG A 32 -30.431 0.413 -7.266 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -32.958 1.266 -6.725 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -31.775 2.322 -7.470 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -34.081 2.250 -8.597 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -32.705 2.025 -9.658 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -33.153 -0.283 -9.977 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -33.984 -0.445 -8.442 1.00 0.00 H new ATOM 0 HE ARG A 32 -35.927 0.842 -9.393 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -34.005 2.056 -11.582 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -34.670 1.278 -13.022 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -36.485 -1.096 -11.207 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -36.062 -0.490 -12.812 1.00 0.00 H new ATOM 535 N TYR A 33 -32.580 -1.877 -7.921 1.00 0.00 N ATOM 536 CA TYR A 33 -33.224 -3.096 -7.359 1.00 0.00 C ATOM 537 C TYR A 33 -32.736 -4.341 -8.093 1.00 0.00 C ATOM 538 O TYR A 33 -33.065 -5.454 -7.731 1.00 0.00 O ATOM 539 CB TYR A 33 -34.723 -2.892 -7.589 1.00 0.00 C ATOM 540 CG TYR A 33 -35.213 -1.750 -6.731 1.00 0.00 C ATOM 541 CD1 TYR A 33 -34.812 -1.657 -5.393 1.00 0.00 C ATOM 542 CD2 TYR A 33 -36.070 -0.783 -7.273 1.00 0.00 C ATOM 543 CE1 TYR A 33 -35.266 -0.599 -4.597 1.00 0.00 C ATOM 544 CE2 TYR A 33 -36.524 0.275 -6.477 1.00 0.00 C ATOM 545 CZ TYR A 33 -36.122 0.366 -5.139 1.00 0.00 C ATOM 546 OH TYR A 33 -36.569 1.410 -4.354 1.00 0.00 O ATOM 0 H TYR A 33 -32.638 -1.783 -8.935 1.00 0.00 H new ATOM 0 HA TYR A 33 -32.987 -3.238 -6.305 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -34.915 -2.679 -8.641 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -35.267 -3.804 -7.344 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -34.152 -2.402 -4.975 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -36.380 -0.854 -8.305 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -34.956 -0.528 -3.565 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -37.184 1.021 -6.895 1.00 0.00 H new ATOM 0 HH TYR A 33 -37.154 1.991 -4.884 1.00 0.00 H new ATOM 556 N CYS A 34 -31.952 -4.166 -9.119 1.00 0.00 N ATOM 557 CA CYS A 34 -31.444 -5.349 -9.865 1.00 0.00 C ATOM 558 C CYS A 34 -30.976 -6.417 -8.875 1.00 0.00 C ATOM 559 O CYS A 34 -30.857 -6.170 -7.692 1.00 0.00 O ATOM 560 CB CYS A 34 -30.258 -4.834 -10.677 1.00 0.00 C ATOM 561 SG CYS A 34 -29.661 -6.148 -11.755 1.00 0.00 S ATOM 0 H CYS A 34 -31.643 -3.260 -9.472 1.00 0.00 H new ATOM 0 HA CYS A 34 -32.208 -5.796 -10.501 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -30.556 -3.969 -11.269 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -29.461 -4.505 -10.010 1.00 0.00 H new ATOM 566 N THR A 35 -30.705 -7.599 -9.347 1.00 0.00 N ATOM 567 CA THR A 35 -30.243 -8.674 -8.427 1.00 0.00 C ATOM 568 C THR A 35 -29.163 -9.527 -9.100 1.00 0.00 C ATOM 569 O THR A 35 -28.749 -10.540 -8.573 1.00 0.00 O ATOM 570 CB THR A 35 -31.490 -9.511 -8.135 1.00 0.00 C ATOM 571 OG1 THR A 35 -32.296 -9.582 -9.303 1.00 0.00 O ATOM 572 CG2 THR A 35 -32.286 -8.860 -7.002 1.00 0.00 C ATOM 0 H THR A 35 -30.783 -7.868 -10.328 1.00 0.00 H new ATOM 0 HA THR A 35 -29.801 -8.272 -7.515 1.00 0.00 H new ATOM 0 HB THR A 35 -31.193 -10.517 -7.838 1.00 0.00 H new ATOM 0 HG1 THR A 35 -33.094 -10.119 -9.117 1.00 0.00 H new ATOM 0 HG21 THR A 35 -33.175 -9.455 -6.793 1.00 0.00 H new ATOM 0 HG22 THR A 35 -31.667 -8.806 -6.107 1.00 0.00 H new ATOM 0 HG23 THR A 35 -32.584 -7.854 -7.298 1.00 0.00 H new ATOM 580 N CYS A 36 -28.692 -9.125 -10.252 1.00 0.00 N ATOM 581 CA CYS A 36 -27.631 -9.925 -10.926 1.00 0.00 C ATOM 582 C CYS A 36 -26.502 -10.204 -9.921 1.00 0.00 C ATOM 583 O CYS A 36 -26.557 -9.770 -8.785 1.00 0.00 O ATOM 584 CB CYS A 36 -27.147 -9.065 -12.092 1.00 0.00 C ATOM 585 SG CYS A 36 -26.196 -7.673 -11.463 1.00 0.00 S ATOM 0 H CYS A 36 -28.993 -8.287 -10.749 1.00 0.00 H new ATOM 0 HA CYS A 36 -27.987 -10.890 -11.286 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -26.534 -9.662 -12.767 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -27.999 -8.705 -12.669 1.00 0.00 H new ATOM 590 N GLU A 37 -25.492 -10.934 -10.310 1.00 0.00 N ATOM 591 CA GLU A 37 -24.388 -11.246 -9.347 1.00 0.00 C ATOM 592 C GLU A 37 -23.379 -10.094 -9.255 1.00 0.00 C ATOM 593 O GLU A 37 -22.449 -10.139 -8.474 1.00 0.00 O ATOM 594 CB GLU A 37 -23.716 -12.498 -9.913 1.00 0.00 C ATOM 595 CG GLU A 37 -23.054 -12.163 -11.251 1.00 0.00 C ATOM 596 CD GLU A 37 -21.689 -12.848 -11.332 1.00 0.00 C ATOM 597 OE1 GLU A 37 -21.646 -14.058 -11.181 1.00 0.00 O ATOM 598 OE2 GLU A 37 -20.711 -12.152 -11.544 1.00 0.00 O ATOM 0 H GLU A 37 -25.380 -11.327 -11.245 1.00 0.00 H new ATOM 0 HA GLU A 37 -24.770 -11.395 -8.337 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -22.971 -12.873 -9.211 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -24.453 -13.289 -10.048 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -23.687 -12.493 -12.075 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -22.937 -11.084 -11.351 1.00 0.00 H new ATOM 605 N LYS A 38 -23.565 -9.057 -10.018 1.00 0.00 N ATOM 606 CA LYS A 38 -22.624 -7.902 -9.952 1.00 0.00 C ATOM 607 C LYS A 38 -23.269 -6.793 -9.130 1.00 0.00 C ATOM 608 O LYS A 38 -22.618 -5.887 -8.651 1.00 0.00 O ATOM 609 CB LYS A 38 -22.420 -7.461 -11.402 1.00 0.00 C ATOM 610 CG LYS A 38 -20.989 -7.789 -11.837 1.00 0.00 C ATOM 611 CD LYS A 38 -20.463 -6.677 -12.747 1.00 0.00 C ATOM 612 CE LYS A 38 -19.714 -7.294 -13.930 1.00 0.00 C ATOM 613 NZ LYS A 38 -20.011 -6.396 -15.080 1.00 0.00 N ATOM 0 H LYS A 38 -24.329 -8.956 -10.687 1.00 0.00 H new ATOM 0 HA LYS A 38 -21.672 -8.152 -9.484 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -23.134 -7.967 -12.051 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -22.605 -6.391 -11.498 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -20.347 -7.892 -10.962 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -20.967 -8.744 -12.362 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -21.291 -6.065 -13.106 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.799 -6.018 -12.187 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -18.643 -7.346 -13.736 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -20.053 -8.311 -14.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -20.033 -6.953 -15.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -20.935 -5.940 -14.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.273 -5.667 -15.151 1.00 0.00 H new ATOM 627 N CYS A 39 -24.552 -6.889 -8.941 1.00 0.00 N ATOM 628 CA CYS A 39 -25.272 -5.886 -8.129 1.00 0.00 C ATOM 629 C CYS A 39 -25.241 -6.364 -6.683 1.00 0.00 C ATOM 630 O CYS A 39 -25.055 -5.597 -5.759 1.00 0.00 O ATOM 631 CB CYS A 39 -26.697 -5.895 -8.673 1.00 0.00 C ATOM 632 SG CYS A 39 -26.931 -4.503 -9.801 1.00 0.00 S ATOM 0 H CYS A 39 -25.137 -7.632 -9.322 1.00 0.00 H new ATOM 0 HA CYS A 39 -24.844 -4.884 -8.172 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -26.891 -6.833 -9.193 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -27.410 -5.833 -7.851 1.00 0.00 H new ATOM 637 N ARG A 40 -25.386 -7.652 -6.492 1.00 0.00 N ATOM 638 CA ARG A 40 -25.326 -8.211 -5.117 1.00 0.00 C ATOM 639 C ARG A 40 -23.866 -8.226 -4.682 1.00 0.00 C ATOM 640 O ARG A 40 -23.537 -8.017 -3.530 1.00 0.00 O ATOM 641 CB ARG A 40 -25.880 -9.632 -5.230 1.00 0.00 C ATOM 642 CG ARG A 40 -27.381 -9.624 -4.941 1.00 0.00 C ATOM 643 CD ARG A 40 -28.098 -10.543 -5.933 1.00 0.00 C ATOM 644 NE ARG A 40 -28.145 -11.872 -5.262 1.00 0.00 N ATOM 645 CZ ARG A 40 -29.273 -12.322 -4.782 1.00 0.00 C ATOM 646 NH1 ARG A 40 -30.213 -11.487 -4.433 1.00 0.00 N ATOM 647 NH2 ARG A 40 -29.461 -13.607 -4.652 1.00 0.00 N ATOM 0 H ARG A 40 -25.543 -8.336 -7.232 1.00 0.00 H new ATOM 0 HA ARG A 40 -25.894 -7.635 -4.387 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -25.694 -10.027 -6.229 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -25.368 -10.289 -4.527 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -27.567 -9.958 -3.920 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -27.772 -8.610 -5.021 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -29.100 -10.178 -6.156 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -27.561 -10.598 -6.880 1.00 0.00 H new ATOM 0 HE ARG A 40 -27.296 -12.431 -5.177 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -30.067 -10.483 -4.535 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -31.094 -11.839 -4.058 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -28.727 -14.260 -4.925 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -30.342 -13.958 -4.277 1.00 0.00 H new ATOM 661 N LEU A 41 -22.986 -8.446 -5.620 1.00 0.00 N ATOM 662 CA LEU A 41 -21.533 -8.446 -5.302 1.00 0.00 C ATOM 663 C LEU A 41 -21.127 -7.029 -4.897 1.00 0.00 C ATOM 664 O LEU A 41 -20.235 -6.824 -4.098 1.00 0.00 O ATOM 665 CB LEU A 41 -20.850 -8.882 -6.608 1.00 0.00 C ATOM 666 CG LEU A 41 -19.483 -8.204 -6.757 1.00 0.00 C ATOM 667 CD1 LEU A 41 -18.678 -8.376 -5.468 1.00 0.00 C ATOM 668 CD2 LEU A 41 -18.723 -8.842 -7.921 1.00 0.00 C ATOM 0 H LEU A 41 -23.214 -8.627 -6.598 1.00 0.00 H new ATOM 0 HA LEU A 41 -21.258 -9.108 -4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -20.727 -9.965 -6.616 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -21.483 -8.627 -7.458 1.00 0.00 H new ATOM 0 HG LEU A 41 -19.627 -7.141 -6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -17.707 -7.893 -5.578 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.218 -7.920 -4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.534 -9.438 -5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -17.751 -8.361 -8.028 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -18.582 -9.905 -7.725 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -19.294 -8.716 -8.841 1.00 0.00 H new ATOM 680 N THR A 42 -21.798 -6.054 -5.439 1.00 0.00 N ATOM 681 CA THR A 42 -21.485 -4.641 -5.090 1.00 0.00 C ATOM 682 C THR A 42 -21.983 -4.344 -3.681 1.00 0.00 C ATOM 683 O THR A 42 -21.211 -4.166 -2.760 1.00 0.00 O ATOM 684 CB THR A 42 -22.248 -3.807 -6.112 1.00 0.00 C ATOM 685 OG1 THR A 42 -21.610 -3.910 -7.378 1.00 0.00 O ATOM 686 CG2 THR A 42 -22.272 -2.346 -5.663 1.00 0.00 C ATOM 0 H THR A 42 -22.554 -6.175 -6.113 1.00 0.00 H new ATOM 0 HA THR A 42 -20.416 -4.428 -5.110 1.00 0.00 H new ATOM 0 HB THR A 42 -23.271 -4.175 -6.193 1.00 0.00 H new ATOM 0 HG1 THR A 42 -22.208 -4.361 -8.010 1.00 0.00 H new ATOM 0 HG21 THR A 42 -22.818 -1.750 -6.394 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.764 -2.271 -4.693 1.00 0.00 H new ATOM 0 HG23 THR A 42 -21.251 -1.974 -5.581 1.00 0.00 H new ATOM 694 N ALA A 43 -23.272 -4.304 -3.510 1.00 0.00 N ATOM 695 CA ALA A 43 -23.837 -4.042 -2.158 1.00 0.00 C ATOM 696 C ALA A 43 -23.057 -4.863 -1.135 1.00 0.00 C ATOM 697 O ALA A 43 -22.819 -4.439 -0.022 1.00 0.00 O ATOM 698 CB ALA A 43 -25.290 -4.513 -2.233 1.00 0.00 C ATOM 0 H ALA A 43 -23.961 -4.442 -4.249 1.00 0.00 H new ATOM 0 HA ALA A 43 -23.776 -2.994 -1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -25.775 -4.352 -1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -25.816 -3.949 -3.003 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -25.316 -5.575 -2.479 1.00 0.00 H new ATOM 704 N ASP A 44 -22.638 -6.034 -1.526 1.00 0.00 N ATOM 705 CA ASP A 44 -21.848 -6.896 -0.609 1.00 0.00 C ATOM 706 C ASP A 44 -20.493 -6.240 -0.346 1.00 0.00 C ATOM 707 O ASP A 44 -19.987 -6.246 0.760 1.00 0.00 O ATOM 708 CB ASP A 44 -21.675 -8.209 -1.370 1.00 0.00 C ATOM 709 CG ASP A 44 -20.984 -9.236 -0.472 1.00 0.00 C ATOM 710 OD1 ASP A 44 -19.831 -9.018 -0.135 1.00 0.00 O ATOM 711 OD2 ASP A 44 -21.617 -10.222 -0.135 1.00 0.00 O ATOM 0 H ASP A 44 -22.811 -6.432 -2.449 1.00 0.00 H new ATOM 0 HA ASP A 44 -22.328 -7.049 0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -22.646 -8.586 -1.690 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -21.085 -8.043 -2.271 1.00 0.00 H new ATOM 716 N ARG A 45 -19.907 -5.664 -1.361 1.00 0.00 N ATOM 717 CA ARG A 45 -18.588 -4.992 -1.185 1.00 0.00 C ATOM 718 C ARG A 45 -18.688 -3.914 -0.103 1.00 0.00 C ATOM 719 O ARG A 45 -17.773 -3.707 0.671 1.00 0.00 O ATOM 720 CB ARG A 45 -18.291 -4.353 -2.542 1.00 0.00 C ATOM 721 CG ARG A 45 -16.945 -3.631 -2.482 1.00 0.00 C ATOM 722 CD ARG A 45 -17.170 -2.122 -2.597 1.00 0.00 C ATOM 723 NE ARG A 45 -15.929 -1.505 -2.055 1.00 0.00 N ATOM 724 CZ ARG A 45 -15.637 -0.267 -2.344 1.00 0.00 C ATOM 725 NH1 ARG A 45 -16.544 0.664 -2.220 1.00 0.00 N ATOM 726 NH2 ARG A 45 -14.439 0.041 -2.760 1.00 0.00 N ATOM 0 H ARG A 45 -20.286 -5.630 -2.307 1.00 0.00 H new ATOM 0 HA ARG A 45 -17.806 -5.686 -0.876 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -18.272 -5.117 -3.319 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -19.081 -3.650 -2.806 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -16.437 -3.863 -1.546 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -16.299 -3.976 -3.289 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -17.338 -1.826 -3.632 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -18.047 -1.809 -2.030 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.307 -2.050 -1.458 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -17.481 0.423 -1.897 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -16.315 1.632 -2.446 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.731 -0.686 -2.859 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.211 1.009 -2.986 1.00 0.00 H new ATOM 740 N GLN A 46 -19.794 -3.223 -0.045 1.00 0.00 N ATOM 741 CA GLN A 46 -19.955 -2.155 0.983 1.00 0.00 C ATOM 742 C GLN A 46 -20.256 -2.776 2.350 1.00 0.00 C ATOM 743 O GLN A 46 -20.438 -2.081 3.329 1.00 0.00 O ATOM 744 CB GLN A 46 -21.141 -1.318 0.502 1.00 0.00 C ATOM 745 CG GLN A 46 -21.080 0.068 1.145 1.00 0.00 C ATOM 746 CD GLN A 46 -21.843 1.070 0.277 1.00 0.00 C ATOM 747 OE1 GLN A 46 -22.165 0.786 -0.860 1.00 0.00 O ATOM 748 NE2 GLN A 46 -22.149 2.239 0.769 1.00 0.00 N ATOM 0 H GLN A 46 -20.593 -3.352 -0.665 1.00 0.00 H new ATOM 0 HA GLN A 46 -19.052 -1.555 1.099 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -21.120 -1.228 -0.584 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -22.078 -1.811 0.763 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -21.512 0.035 2.145 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -20.043 0.383 1.256 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -21.879 2.477 1.723 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -22.658 2.915 0.199 1.00 0.00 H new ATOM 757 N ARG A 47 -20.308 -4.078 2.426 1.00 0.00 N ATOM 758 CA ARG A 47 -20.596 -4.735 3.732 1.00 0.00 C ATOM 759 C ARG A 47 -19.337 -4.751 4.604 1.00 0.00 C ATOM 760 O ARG A 47 -18.274 -4.344 4.182 1.00 0.00 O ATOM 761 CB ARG A 47 -21.020 -6.161 3.377 1.00 0.00 C ATOM 762 CG ARG A 47 -22.015 -6.672 4.420 1.00 0.00 C ATOM 763 CD ARG A 47 -23.422 -6.683 3.821 1.00 0.00 C ATOM 764 NE ARG A 47 -24.141 -7.767 4.547 1.00 0.00 N ATOM 765 CZ ARG A 47 -25.156 -7.478 5.315 1.00 0.00 C ATOM 766 NH1 ARG A 47 -24.973 -6.790 6.408 1.00 0.00 N ATOM 767 NH2 ARG A 47 -26.355 -7.877 4.987 1.00 0.00 N ATOM 0 H ARG A 47 -20.164 -4.714 1.642 1.00 0.00 H new ATOM 0 HA ARG A 47 -21.367 -4.210 4.296 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -21.473 -6.181 2.386 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -20.147 -6.813 3.341 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -21.737 -7.676 4.742 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -21.990 -6.036 5.304 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -23.917 -5.721 3.957 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -23.393 -6.878 2.749 1.00 0.00 H new ATOM 0 HE ARG A 47 -23.840 -8.736 4.444 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -24.036 -6.477 6.663 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -25.767 -6.565 7.008 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -26.498 -8.414 4.132 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -27.149 -7.652 5.586 1.00 0.00 H new ATOM 781 N VAL A 48 -19.452 -5.218 5.818 1.00 0.00 N ATOM 782 CA VAL A 48 -18.264 -5.260 6.717 1.00 0.00 C ATOM 783 C VAL A 48 -17.790 -6.704 6.900 1.00 0.00 C ATOM 784 O VAL A 48 -17.811 -7.241 7.989 1.00 0.00 O ATOM 785 CB VAL A 48 -18.758 -4.683 8.043 1.00 0.00 C ATOM 786 CG1 VAL A 48 -17.619 -4.692 9.064 1.00 0.00 C ATOM 787 CG2 VAL A 48 -19.232 -3.245 7.824 1.00 0.00 C ATOM 0 H VAL A 48 -20.317 -5.572 6.226 1.00 0.00 H new ATOM 0 HA VAL A 48 -17.419 -4.700 6.317 1.00 0.00 H new ATOM 0 HB VAL A 48 -19.583 -5.289 8.417 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -17.974 -4.280 10.009 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -17.278 -5.716 9.220 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -16.792 -4.087 8.692 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -19.585 -2.831 8.768 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -18.405 -2.642 7.450 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -20.045 -3.236 7.098 1.00 0.00 H new ATOM 797 N MET A 49 -17.366 -7.338 5.840 1.00 0.00 N ATOM 798 CA MET A 49 -16.893 -8.747 5.956 1.00 0.00 C ATOM 799 C MET A 49 -15.622 -8.952 5.129 1.00 0.00 C ATOM 800 O MET A 49 -15.676 -9.261 3.955 1.00 0.00 O ATOM 801 CB MET A 49 -18.038 -9.593 5.396 1.00 0.00 C ATOM 802 CG MET A 49 -18.952 -10.036 6.540 1.00 0.00 C ATOM 803 SD MET A 49 -19.852 -11.529 6.052 1.00 0.00 S ATOM 804 CE MET A 49 -18.617 -12.731 6.605 1.00 0.00 C ATOM 0 H MET A 49 -17.327 -6.942 4.901 1.00 0.00 H new ATOM 0 HA MET A 49 -16.648 -9.016 6.983 1.00 0.00 H new ATOM 0 HB2 MET A 49 -18.606 -9.017 4.665 1.00 0.00 H new ATOM 0 HB3 MET A 49 -17.640 -10.464 4.876 1.00 0.00 H new ATOM 0 HG2 MET A 49 -18.362 -10.231 7.436 1.00 0.00 H new ATOM 0 HG3 MET A 49 -19.654 -9.240 6.787 1.00 0.00 H new ATOM 0 HE1 MET A 49 -18.973 -13.740 6.397 1.00 0.00 H new ATOM 0 HE2 MET A 49 -17.680 -12.560 6.075 1.00 0.00 H new ATOM 0 HE3 MET A 49 -18.453 -12.618 7.677 1.00 0.00 H new ATOM 814 N ALA A 50 -14.476 -8.784 5.732 1.00 0.00 N ATOM 815 CA ALA A 50 -13.203 -8.974 4.978 1.00 0.00 C ATOM 816 C ALA A 50 -12.654 -10.382 5.220 1.00 0.00 C ATOM 817 O ALA A 50 -11.676 -10.567 5.916 1.00 0.00 O ATOM 818 CB ALA A 50 -12.247 -7.922 5.544 1.00 0.00 C ATOM 0 H ALA A 50 -14.366 -8.524 6.712 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.338 -8.865 3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -11.284 -7.997 5.039 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.664 -6.928 5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.111 -8.091 6.612 1.00 0.00 H new ATOM 824 N LEU A 51 -13.277 -11.377 4.651 1.00 0.00 N ATOM 825 CA LEU A 51 -12.791 -12.772 4.850 1.00 0.00 C ATOM 826 C LEU A 51 -11.653 -13.083 3.874 1.00 0.00 C ATOM 827 O LEU A 51 -11.806 -13.863 2.955 1.00 0.00 O ATOM 828 CB LEU A 51 -14.002 -13.660 4.560 1.00 0.00 C ATOM 829 CG LEU A 51 -14.520 -13.372 3.150 1.00 0.00 C ATOM 830 CD1 LEU A 51 -14.802 -14.691 2.429 1.00 0.00 C ATOM 831 CD2 LEU A 51 -15.811 -12.554 3.238 1.00 0.00 C ATOM 0 H LEU A 51 -14.101 -11.285 4.057 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.399 -12.931 5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -13.726 -14.711 4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -14.787 -13.473 5.293 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.769 -12.809 2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.171 -14.485 1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.884 -15.275 2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.553 -15.255 2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -16.181 -12.348 2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -16.562 -13.117 3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -15.611 -11.613 3.751 1.00 0.00 H new ATOM 843 N GLN A 52 -10.512 -12.480 4.066 1.00 0.00 N ATOM 844 CA GLN A 52 -9.366 -12.745 3.149 1.00 0.00 C ATOM 845 C GLN A 52 -8.045 -12.373 3.827 1.00 0.00 C ATOM 846 O GLN A 52 -8.036 -12.256 5.041 1.00 0.00 O ATOM 847 CB GLN A 52 -9.613 -11.851 1.933 1.00 0.00 C ATOM 848 CG GLN A 52 -8.920 -12.454 0.709 1.00 0.00 C ATOM 849 CD GLN A 52 -8.923 -11.437 -0.432 1.00 0.00 C ATOM 850 OE1 GLN A 52 -7.952 -11.308 -1.150 1.00 0.00 O ATOM 851 NE2 GLN A 52 -9.983 -10.701 -0.629 1.00 0.00 N ATOM 852 OXT GLN A 52 -7.064 -12.211 3.119 1.00 0.00 O ATOM 0 H GLN A 52 -10.323 -11.816 4.817 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.296 -13.797 2.874 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -10.683 -11.756 1.749 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -9.232 -10.847 2.122 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.896 -12.733 0.958 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.433 -13.365 0.400 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.798 -10.809 -0.026 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.996 -10.018 -1.386 1.00 0.00 H new TER 861 GLN A 52 HETATM 862 ZN ZN A 53 -27.421 -5.774 -11.621 1.00 0.00 ZN HETATM 863 ZN ZN A 54 -27.026 3.570 -10.361 1.00 0.00 ZN