USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 423 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 5 SER OG : rot 180:sc=0.000917 USER MOD Single : A 14 THR OG1 : rot -66:sc= 0.0124! USER MOD Single : A 17 ASN : amide:sc= -0.228 K(o=-0.23,f=-1.7!) USER MOD Single : A 18 HIS : no HD1:sc= -46.3! C(o=-46!,f=-43!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -145:sc= -1.08 (180deg=-2.31) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= -1.9 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -3.07! C(o=-3.1!,f=-6.2!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -29.544 -7.801 -6.571 1.00 0.00 N ATOM 2 CA ALA A 2 -30.324 -6.625 -6.102 1.00 0.00 C ATOM 3 C ALA A 2 -29.700 -5.325 -6.599 1.00 0.00 C ATOM 4 O ALA A 2 -30.191 -4.712 -7.547 1.00 0.00 O ATOM 5 CB ALA A 2 -30.415 -6.625 -4.583 1.00 0.00 C ATOM 0 HA ALA A 2 -31.331 -6.696 -6.513 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -30.989 -5.759 -4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -30.910 -7.537 -4.248 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -29.412 -6.579 -4.158 1.00 0.00 H new ATOM 10 N SER A 3 -28.615 -4.908 -5.953 1.00 0.00 N ATOM 11 CA SER A 3 -27.922 -3.683 -6.333 1.00 0.00 C ATOM 12 C SER A 3 -26.679 -3.477 -5.474 1.00 0.00 C ATOM 13 O SER A 3 -25.558 -3.447 -5.982 1.00 0.00 O ATOM 14 CB SER A 3 -28.859 -2.479 -6.203 1.00 0.00 C ATOM 15 OG SER A 3 -28.954 -1.774 -7.430 1.00 0.00 O ATOM 0 H SER A 3 -28.197 -5.401 -5.164 1.00 0.00 H new ATOM 0 HA SER A 3 -27.610 -3.776 -7.373 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.849 -2.816 -5.895 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.493 -1.811 -5.423 1.00 0.00 H new ATOM 0 HG SER A 3 -29.559 -1.011 -7.323 1.00 0.00 H new ATOM 21 N THR A 4 -26.886 -3.339 -4.168 1.00 0.00 N ATOM 22 CA THR A 4 -25.785 -3.143 -3.236 1.00 0.00 C ATOM 23 C THR A 4 -24.885 -4.384 -3.205 1.00 0.00 C ATOM 24 O THR A 4 -24.500 -4.897 -4.257 1.00 0.00 O ATOM 25 CB THR A 4 -26.335 -2.822 -1.841 1.00 0.00 C ATOM 26 OG1 THR A 4 -27.012 -3.942 -1.301 1.00 0.00 O ATOM 27 CG2 THR A 4 -27.297 -1.655 -1.832 1.00 0.00 C ATOM 0 H THR A 4 -27.808 -3.360 -3.732 1.00 0.00 H new ATOM 0 HA THR A 4 -25.179 -2.300 -3.568 1.00 0.00 H new ATOM 0 HB THR A 4 -25.465 -2.559 -1.240 1.00 0.00 H new ATOM 0 HG1 THR A 4 -27.354 -3.719 -0.410 1.00 0.00 H new ATOM 0 HG21 THR A 4 -27.649 -1.481 -0.815 1.00 0.00 H new ATOM 0 HG22 THR A 4 -26.790 -0.762 -2.198 1.00 0.00 H new ATOM 0 HG23 THR A 4 -28.147 -1.879 -2.476 1.00 0.00 H new ATOM 35 N SER A 5 -24.548 -4.871 -2.008 1.00 0.00 N ATOM 36 CA SER A 5 -23.699 -6.049 -1.883 1.00 0.00 C ATOM 37 C SER A 5 -22.336 -5.804 -2.523 1.00 0.00 C ATOM 38 O SER A 5 -21.971 -4.665 -2.812 1.00 0.00 O ATOM 39 CB SER A 5 -24.375 -7.260 -2.528 1.00 0.00 C ATOM 40 OG SER A 5 -24.068 -8.452 -1.825 1.00 0.00 O ATOM 0 H SER A 5 -24.849 -4.469 -1.120 1.00 0.00 H new ATOM 0 HA SER A 5 -23.549 -6.252 -0.823 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.455 -7.112 -2.544 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.051 -7.352 -3.565 1.00 0.00 H new ATOM 0 HG SER A 5 -24.514 -9.210 -2.257 1.00 0.00 H new ATOM 46 N ARG A 6 -21.585 -6.878 -2.740 1.00 0.00 N ATOM 47 CA ARG A 6 -20.263 -6.774 -3.344 1.00 0.00 C ATOM 48 C ARG A 6 -19.661 -8.155 -3.577 1.00 0.00 C ATOM 49 O ARG A 6 -20.184 -9.161 -3.096 1.00 0.00 O ATOM 50 CB ARG A 6 -19.338 -5.943 -2.450 1.00 0.00 C ATOM 51 CG ARG A 6 -18.959 -4.598 -3.050 1.00 0.00 C ATOM 52 CD ARG A 6 -17.882 -4.744 -4.113 1.00 0.00 C ATOM 53 NE ARG A 6 -18.439 -4.722 -5.463 1.00 0.00 N ATOM 54 CZ ARG A 6 -18.731 -3.606 -6.129 1.00 0.00 C ATOM 55 NH1 ARG A 6 -18.524 -2.418 -5.574 1.00 0.00 N ATOM 56 NH2 ARG A 6 -19.232 -3.679 -7.355 1.00 0.00 N ATOM 0 H ARG A 6 -21.869 -7.829 -2.507 1.00 0.00 H new ATOM 0 HA ARG A 6 -20.368 -6.278 -4.309 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -19.826 -5.778 -1.490 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -18.430 -6.512 -2.252 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -19.842 -4.132 -3.487 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -18.605 -3.934 -2.262 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -17.156 -3.938 -4.007 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -17.344 -5.679 -3.958 1.00 0.00 H new ATOM 0 HE ARG A 6 -18.615 -5.615 -5.924 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -18.139 -2.356 -4.632 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -18.750 -1.568 -6.090 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -19.393 -4.589 -7.787 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -19.456 -2.825 -7.866 1.00 0.00 H new ATOM 70 N LEU A 7 -18.554 -8.197 -4.312 1.00 0.00 N ATOM 71 CA LEU A 7 -17.876 -9.455 -4.606 1.00 0.00 C ATOM 72 C LEU A 7 -17.599 -10.232 -3.323 1.00 0.00 C ATOM 73 O LEU A 7 -16.600 -9.996 -2.645 1.00 0.00 O ATOM 74 CB LEU A 7 -16.565 -9.187 -5.348 1.00 0.00 C ATOM 75 CG LEU A 7 -15.811 -10.436 -5.804 1.00 0.00 C ATOM 76 CD1 LEU A 7 -16.706 -11.309 -6.670 1.00 0.00 C ATOM 77 CD2 LEU A 7 -14.546 -10.052 -6.554 1.00 0.00 C ATOM 0 H LEU A 7 -18.107 -7.374 -4.715 1.00 0.00 H new ATOM 0 HA LEU A 7 -18.528 -10.055 -5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -16.779 -8.572 -6.222 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -15.911 -8.603 -4.700 1.00 0.00 H new ATOM 0 HG LEU A 7 -15.523 -11.008 -4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -16.154 -12.194 -6.987 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -17.582 -11.613 -6.097 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -17.024 -10.746 -7.548 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -14.023 -10.954 -6.871 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -14.808 -9.458 -7.430 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -13.899 -9.468 -5.900 1.00 0.00 H new ATOM 89 N ASP A 8 -18.498 -11.156 -2.989 1.00 0.00 N ATOM 90 CA ASP A 8 -18.352 -11.960 -1.780 1.00 0.00 C ATOM 91 C ASP A 8 -18.413 -11.069 -0.541 1.00 0.00 C ATOM 92 O ASP A 8 -18.955 -9.965 -0.592 1.00 0.00 O ATOM 93 CB ASP A 8 -17.034 -12.739 -1.814 1.00 0.00 C ATOM 94 CG ASP A 8 -17.185 -14.152 -1.284 1.00 0.00 C ATOM 95 OD1 ASP A 8 -17.282 -14.316 -0.050 1.00 0.00 O ATOM 96 OD2 ASP A 8 -17.207 -15.093 -2.104 1.00 0.00 O ATOM 0 H ASP A 8 -19.332 -11.365 -3.537 1.00 0.00 H new ATOM 0 HA ASP A 8 -19.174 -12.674 -1.735 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.663 -12.776 -2.838 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.287 -12.210 -1.223 1.00 0.00 H new ATOM 101 N ALA A 9 -17.854 -11.546 0.572 1.00 0.00 N ATOM 102 CA ALA A 9 -17.848 -10.780 1.815 1.00 0.00 C ATOM 103 C ALA A 9 -17.454 -9.325 1.562 1.00 0.00 C ATOM 104 O ALA A 9 -18.305 -8.437 1.534 1.00 0.00 O ATOM 105 CB ALA A 9 -16.906 -11.419 2.823 1.00 0.00 C ATOM 0 H ALA A 9 -17.401 -12.458 0.636 1.00 0.00 H new ATOM 0 HA ALA A 9 -18.858 -10.788 2.224 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.911 -10.838 3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.235 -12.437 3.034 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.896 -11.441 2.414 1.00 0.00 H new ATOM 111 N LEU A 10 -16.159 -9.091 1.369 1.00 0.00 N ATOM 112 CA LEU A 10 -15.656 -7.747 1.107 1.00 0.00 C ATOM 113 C LEU A 10 -14.141 -7.762 0.901 1.00 0.00 C ATOM 114 O LEU A 10 -13.395 -7.118 1.639 1.00 0.00 O ATOM 115 CB LEU A 10 -16.035 -6.801 2.255 1.00 0.00 C ATOM 116 CG LEU A 10 -16.925 -5.620 1.850 1.00 0.00 C ATOM 117 CD1 LEU A 10 -18.230 -5.635 2.633 1.00 0.00 C ATOM 118 CD2 LEU A 10 -16.194 -4.301 2.060 1.00 0.00 C ATOM 0 H LEU A 10 -15.440 -9.814 1.389 1.00 0.00 H new ATOM 0 HA LEU A 10 -16.118 -7.383 0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.548 -7.376 3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -15.121 -6.412 2.703 1.00 0.00 H new ATOM 0 HG LEU A 10 -17.160 -5.720 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -18.846 -4.788 2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -18.765 -6.563 2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -18.015 -5.564 3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -16.842 -3.475 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -15.926 -4.197 3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.289 -4.286 1.452 1.00 0.00 H new ATOM 130 N PRO A 11 -13.662 -8.502 -0.117 1.00 0.00 N ATOM 131 CA PRO A 11 -12.236 -8.599 -0.422 1.00 0.00 C ATOM 132 C PRO A 11 -11.733 -7.411 -1.234 1.00 0.00 C ATOM 133 O PRO A 11 -12.483 -6.810 -2.004 1.00 0.00 O ATOM 134 CB PRO A 11 -12.151 -9.880 -1.245 1.00 0.00 C ATOM 135 CG PRO A 11 -13.462 -9.961 -1.952 1.00 0.00 C ATOM 136 CD PRO A 11 -14.478 -9.305 -1.050 1.00 0.00 C ATOM 0 HA PRO A 11 -11.621 -8.605 0.478 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.321 -9.843 -1.951 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.989 -10.750 -0.609 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.415 -9.454 -2.916 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.732 -10.998 -2.150 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.169 -8.680 -1.615 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -15.078 -10.045 -0.520 1.00 0.00 H new ATOM 144 N ARG A 12 -10.456 -7.078 -1.058 1.00 0.00 N ATOM 145 CA ARG A 12 -9.850 -5.960 -1.776 1.00 0.00 C ATOM 146 C ARG A 12 -8.408 -5.743 -1.325 1.00 0.00 C ATOM 147 O ARG A 12 -7.544 -5.394 -2.129 1.00 0.00 O ATOM 148 CB ARG A 12 -10.663 -4.679 -1.564 1.00 0.00 C ATOM 149 CG ARG A 12 -10.927 -3.902 -2.845 1.00 0.00 C ATOM 150 CD ARG A 12 -12.029 -4.545 -3.672 1.00 0.00 C ATOM 151 NE ARG A 12 -11.553 -5.717 -4.406 1.00 0.00 N ATOM 152 CZ ARG A 12 -12.342 -6.711 -4.813 1.00 0.00 C ATOM 153 NH1 ARG A 12 -13.644 -6.682 -4.564 1.00 0.00 N ATOM 154 NH2 ARG A 12 -11.824 -7.738 -5.472 1.00 0.00 N ATOM 0 H ARG A 12 -9.822 -7.566 -0.425 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.849 -6.204 -2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.617 -4.937 -1.103 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.133 -4.035 -0.862 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -11.206 -2.878 -2.599 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.012 -3.850 -3.435 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.850 -4.837 -3.017 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.427 -3.814 -4.376 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.557 -5.777 -4.619 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.049 -5.895 -4.057 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.241 -7.447 -4.879 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.823 -7.767 -5.667 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.426 -8.500 -5.784 1.00 0.00 H new ATOM 168 N VAL A 13 -8.157 -5.949 -0.034 1.00 0.00 N ATOM 169 CA VAL A 13 -6.817 -5.773 0.520 1.00 0.00 C ATOM 170 C VAL A 13 -6.241 -7.100 1.009 1.00 0.00 C ATOM 171 O VAL A 13 -6.835 -8.154 0.800 1.00 0.00 O ATOM 172 CB VAL A 13 -6.800 -4.748 1.680 1.00 0.00 C ATOM 173 CG1 VAL A 13 -6.215 -3.423 1.211 1.00 0.00 C ATOM 174 CG2 VAL A 13 -8.197 -4.544 2.256 1.00 0.00 C ATOM 0 H VAL A 13 -8.861 -6.237 0.646 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.196 -5.389 -0.290 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.167 -5.147 2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.211 -2.714 2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.194 -3.579 0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.821 -3.026 0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.153 -3.819 3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.862 -4.174 1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.576 -5.493 2.636 1.00 0.00 H new ATOM 184 N THR A 14 -5.072 -7.028 1.647 1.00 0.00 N ATOM 185 CA THR A 14 -4.378 -8.210 2.167 1.00 0.00 C ATOM 186 C THR A 14 -3.596 -8.905 1.054 1.00 0.00 C ATOM 187 O THR A 14 -2.891 -8.239 0.306 1.00 0.00 O ATOM 188 CB THR A 14 -5.358 -9.169 2.860 1.00 0.00 C ATOM 189 OG1 THR A 14 -6.041 -9.975 1.917 1.00 0.00 O ATOM 190 CG2 THR A 14 -6.396 -8.454 3.696 1.00 0.00 C ATOM 0 H THR A 14 -4.579 -6.151 1.818 1.00 0.00 H new ATOM 0 HA THR A 14 -3.662 -7.884 2.922 1.00 0.00 H new ATOM 0 HB THR A 14 -4.741 -9.783 3.516 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.617 -9.410 1.361 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.058 -9.186 4.159 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.900 -7.871 4.472 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.980 -7.788 3.060 1.00 0.00 H new ATOM 198 N CYS A 15 -3.765 -10.216 0.888 1.00 0.00 N ATOM 199 CA CYS A 15 -3.083 -10.909 -0.202 1.00 0.00 C ATOM 200 C CYS A 15 -4.013 -11.771 -1.046 1.00 0.00 C ATOM 201 O CYS A 15 -4.673 -12.683 -0.547 1.00 0.00 O ATOM 202 CB CYS A 15 -1.879 -11.731 0.256 1.00 0.00 C ATOM 203 SG CYS A 15 -0.475 -11.583 -0.914 1.00 0.00 S ATOM 0 H CYS A 15 -4.352 -10.806 1.477 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.712 -10.102 -0.833 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.565 -11.398 1.245 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -2.167 -12.778 0.349 1.00 0.00 H new ATOM 208 N PRO A 16 -4.011 -11.517 -2.370 1.00 0.00 N ATOM 209 CA PRO A 16 -4.782 -12.282 -3.343 1.00 0.00 C ATOM 210 C PRO A 16 -3.974 -13.505 -3.688 1.00 0.00 C ATOM 211 O PRO A 16 -3.547 -13.711 -4.818 1.00 0.00 O ATOM 212 CB PRO A 16 -4.849 -11.334 -4.528 1.00 0.00 C ATOM 213 CG PRO A 16 -3.520 -10.671 -4.496 1.00 0.00 C ATOM 214 CD PRO A 16 -3.182 -10.497 -3.039 1.00 0.00 C ATOM 0 HA PRO A 16 -5.769 -12.607 -3.013 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.012 -11.868 -5.464 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.662 -10.615 -4.425 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.769 -11.277 -5.002 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.551 -9.709 -5.008 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.120 -10.656 -2.851 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.420 -9.493 -2.689 1.00 0.00 H new ATOM 222 N ASN A 17 -3.735 -14.283 -2.680 1.00 0.00 N ATOM 223 CA ASN A 17 -2.938 -15.485 -2.743 1.00 0.00 C ATOM 224 C ASN A 17 -2.995 -15.999 -1.317 1.00 0.00 C ATOM 225 O ASN A 17 -3.268 -17.165 -1.065 1.00 0.00 O ATOM 226 CB ASN A 17 -1.499 -15.186 -3.177 1.00 0.00 C ATOM 227 CG ASN A 17 -0.927 -16.262 -4.079 1.00 0.00 C ATOM 228 OD1 ASN A 17 -1.463 -17.366 -4.167 1.00 0.00 O ATOM 229 ND2 ASN A 17 0.170 -15.941 -4.756 1.00 0.00 N ATOM 0 H ASN A 17 -4.102 -14.097 -1.747 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.303 -16.205 -3.475 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.472 -14.229 -3.697 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.870 -15.086 -2.293 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.602 -16.623 -5.380 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.580 -15.013 -4.652 1.00 0.00 H new ATOM 236 N HIS A 18 -2.886 -15.039 -0.398 1.00 0.00 N ATOM 237 CA HIS A 18 -3.064 -15.305 1.016 1.00 0.00 C ATOM 238 C HIS A 18 -3.922 -14.217 1.639 1.00 0.00 C ATOM 239 O HIS A 18 -3.406 -13.274 2.241 1.00 0.00 O ATOM 240 CB HIS A 18 -1.769 -15.400 1.794 1.00 0.00 C ATOM 241 CG HIS A 18 -0.635 -14.703 1.210 1.00 0.00 C ATOM 242 ND1 HIS A 18 -0.288 -14.796 -0.092 1.00 0.00 N ATOM 243 CD2 HIS A 18 0.175 -13.825 1.811 1.00 0.00 C ATOM 244 CE1 HIS A 18 0.713 -13.985 -0.269 1.00 0.00 C ATOM 245 NE2 HIS A 18 1.036 -13.374 0.864 1.00 0.00 N ATOM 0 H HIS A 18 -2.674 -14.066 -0.617 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.546 -16.281 1.076 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -1.938 -15.006 2.796 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.508 -16.453 1.905 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.149 -13.531 2.850 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.215 -13.829 -1.213 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.787 -12.696 0.997 1.00 0.00 H new ATOM 253 N PRO A 19 -5.249 -14.339 1.516 1.00 0.00 N ATOM 254 CA PRO A 19 -6.175 -13.365 2.085 1.00 0.00 C ATOM 255 C PRO A 19 -6.005 -13.250 3.597 1.00 0.00 C ATOM 256 O PRO A 19 -6.428 -12.267 4.208 1.00 0.00 O ATOM 257 CB PRO A 19 -7.561 -13.921 1.729 1.00 0.00 C ATOM 258 CG PRO A 19 -7.336 -15.354 1.378 1.00 0.00 C ATOM 259 CD PRO A 19 -5.943 -15.439 0.834 1.00 0.00 C ATOM 0 HA PRO A 19 -6.010 -12.360 1.696 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.250 -13.826 2.568 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.000 -13.376 0.893 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.451 -15.992 2.254 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.063 -15.692 0.640 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.483 -16.403 1.053 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.925 -15.316 -0.249 1.00 0.00 H new ATOM 267 N ASP A 20 -5.385 -14.267 4.194 1.00 0.00 N ATOM 268 CA ASP A 20 -5.160 -14.294 5.632 1.00 0.00 C ATOM 269 C ASP A 20 -3.871 -13.567 6.022 1.00 0.00 C ATOM 270 O ASP A 20 -3.709 -13.163 7.173 1.00 0.00 O ATOM 271 CB ASP A 20 -5.112 -15.739 6.130 1.00 0.00 C ATOM 272 CG ASP A 20 -6.474 -16.248 6.556 1.00 0.00 C ATOM 273 OD1 ASP A 20 -7.073 -15.646 7.470 1.00 0.00 O ATOM 274 OD2 ASP A 20 -6.941 -17.247 5.971 1.00 0.00 O ATOM 0 H ASP A 20 -5.030 -15.085 3.698 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.992 -13.772 6.103 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.718 -16.380 5.341 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.422 -15.808 6.971 1.00 0.00 H new ATOM 279 N ALA A 21 -2.965 -13.363 5.070 1.00 0.00 N ATOM 280 CA ALA A 21 -1.724 -12.650 5.359 1.00 0.00 C ATOM 281 C ALA A 21 -1.710 -11.327 4.618 1.00 0.00 C ATOM 282 O ALA A 21 -1.339 -11.258 3.446 1.00 0.00 O ATOM 283 CB ALA A 21 -0.504 -13.489 5.002 1.00 0.00 C ATOM 0 H ALA A 21 -3.064 -13.676 4.104 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.678 -12.456 6.431 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.403 -12.928 5.230 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.515 -14.412 5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.525 -13.728 3.939 1.00 0.00 H new ATOM 289 N ILE A 22 -2.147 -10.287 5.306 1.00 0.00 N ATOM 290 CA ILE A 22 -2.219 -8.962 4.726 1.00 0.00 C ATOM 291 C ILE A 22 -0.832 -8.395 4.436 1.00 0.00 C ATOM 292 O ILE A 22 0.032 -8.365 5.317 1.00 0.00 O ATOM 293 CB ILE A 22 -2.964 -7.998 5.673 1.00 0.00 C ATOM 294 CG1 ILE A 22 -4.236 -8.662 6.225 1.00 0.00 C ATOM 295 CG2 ILE A 22 -3.292 -6.705 4.952 1.00 0.00 C ATOM 296 CD1 ILE A 22 -5.171 -7.705 6.935 1.00 0.00 C ATOM 0 H ILE A 22 -2.459 -10.338 6.276 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.762 -9.055 3.785 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.316 -7.762 6.517 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.773 -9.135 5.403 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.949 -9.454 6.917 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.818 -6.033 5.631 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.369 -6.232 4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.925 -6.919 4.091 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.044 -8.249 7.295 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.653 -7.250 7.779 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.489 -6.926 6.242 1.00 0.00 H new ATOM 308 N LEU A 23 -0.608 -7.923 3.209 1.00 0.00 N ATOM 309 CA LEU A 23 0.682 -7.347 2.841 1.00 0.00 C ATOM 310 C LEU A 23 1.122 -6.279 3.833 1.00 0.00 C ATOM 311 O LEU A 23 0.323 -5.546 4.381 1.00 0.00 O ATOM 312 CB LEU A 23 0.589 -6.692 1.458 1.00 0.00 C ATOM 313 CG LEU A 23 0.846 -7.603 0.263 1.00 0.00 C ATOM 314 CD1 LEU A 23 -0.407 -8.370 -0.094 1.00 0.00 C ATOM 315 CD2 LEU A 23 1.328 -6.792 -0.926 1.00 0.00 C ATOM 0 H LEU A 23 -1.299 -7.929 2.459 1.00 0.00 H new ATOM 0 HA LEU A 23 1.408 -8.160 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.405 -6.258 1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.302 -5.868 1.420 1.00 0.00 H new ATOM 0 HG LEU A 23 1.624 -8.318 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.207 -9.016 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.716 -8.978 0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.203 -7.669 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.507 -7.457 -1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.570 -6.057 -1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.254 -6.279 -0.665 1.00 0.00 H new ATOM 327 N VAL A 24 2.394 -6.147 4.038 1.00 0.00 N ATOM 328 CA VAL A 24 2.865 -5.118 4.921 1.00 0.00 C ATOM 329 C VAL A 24 2.861 -3.828 4.144 1.00 0.00 C ATOM 330 O VAL A 24 2.209 -3.773 3.107 1.00 0.00 O ATOM 331 CB VAL A 24 4.224 -5.491 5.464 1.00 0.00 C ATOM 332 CG1 VAL A 24 4.589 -4.655 6.682 1.00 0.00 C ATOM 333 CG2 VAL A 24 4.158 -6.962 5.820 1.00 0.00 C ATOM 0 H VAL A 24 3.119 -6.727 3.615 1.00 0.00 H new ATOM 0 HA VAL A 24 2.222 -4.997 5.793 1.00 0.00 H new ATOM 0 HB VAL A 24 4.998 -5.299 4.721 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.573 -4.951 7.045 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.606 -3.600 6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.850 -4.814 7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.120 -7.283 6.219 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.383 -7.120 6.570 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.923 -7.542 4.928 1.00 0.00 H new ATOM 343 N GLU A 25 3.561 -2.799 4.571 1.00 0.00 N ATOM 344 CA GLU A 25 3.534 -1.582 3.807 1.00 0.00 C ATOM 345 C GLU A 25 4.576 -1.602 2.720 1.00 0.00 C ATOM 346 O GLU A 25 4.278 -1.943 1.619 1.00 0.00 O ATOM 347 CB GLU A 25 3.690 -0.356 4.707 1.00 0.00 C ATOM 348 CG GLU A 25 2.888 0.837 4.220 1.00 0.00 C ATOM 349 CD GLU A 25 3.766 1.968 3.728 1.00 0.00 C ATOM 350 OE1 GLU A 25 4.563 2.494 4.533 1.00 0.00 O ATOM 351 OE2 GLU A 25 3.655 2.330 2.537 1.00 0.00 O ATOM 0 H GLU A 25 4.135 -2.782 5.414 1.00 0.00 H new ATOM 0 HA GLU A 25 2.557 -1.512 3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.375 -0.611 5.719 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.744 -0.082 4.761 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.225 0.520 3.415 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.255 1.199 5.030 1.00 0.00 H new ATOM 358 N ASP A 26 5.786 -1.264 3.050 1.00 0.00 N ATOM 359 CA ASP A 26 6.868 -1.255 2.092 1.00 0.00 C ATOM 360 C ASP A 26 7.486 -2.645 1.956 1.00 0.00 C ATOM 361 O ASP A 26 6.784 -3.651 1.999 1.00 0.00 O ATOM 362 CB ASP A 26 7.905 -0.210 2.509 1.00 0.00 C ATOM 363 CG ASP A 26 7.301 1.178 2.593 1.00 0.00 C ATOM 364 OD1 ASP A 26 6.074 1.305 2.390 1.00 0.00 O ATOM 365 OD2 ASP A 26 8.053 2.139 2.862 1.00 0.00 O ATOM 0 H ASP A 26 6.059 -0.985 3.992 1.00 0.00 H new ATOM 0 HA ASP A 26 6.481 -0.984 1.110 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.327 -0.482 3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.726 -0.207 1.792 1.00 0.00 H new ATOM 370 N TYR A 27 8.811 -2.696 1.798 1.00 0.00 N ATOM 371 CA TYR A 27 9.559 -3.944 1.651 1.00 0.00 C ATOM 372 C TYR A 27 10.822 -3.657 0.872 1.00 0.00 C ATOM 373 O TYR A 27 10.805 -3.524 -0.351 1.00 0.00 O ATOM 374 CB TYR A 27 8.741 -5.027 0.949 1.00 0.00 C ATOM 375 CG TYR A 27 9.549 -5.981 0.090 1.00 0.00 C ATOM 376 CD1 TYR A 27 10.377 -6.935 0.668 1.00 0.00 C ATOM 377 CD2 TYR A 27 9.473 -5.927 -1.294 1.00 0.00 C ATOM 378 CE1 TYR A 27 11.111 -7.808 -0.113 1.00 0.00 C ATOM 379 CE2 TYR A 27 10.203 -6.799 -2.082 1.00 0.00 C ATOM 380 CZ TYR A 27 11.019 -7.736 -1.487 1.00 0.00 C ATOM 381 OH TYR A 27 11.747 -8.605 -2.267 1.00 0.00 O ATOM 0 H TYR A 27 9.399 -1.863 1.768 1.00 0.00 H new ATOM 0 HA TYR A 27 9.799 -4.324 2.644 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.206 -5.604 1.703 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.989 -4.546 0.324 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.448 -6.996 1.744 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.834 -5.193 -1.763 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.753 -8.542 0.350 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.133 -6.745 -3.158 1.00 0.00 H new ATOM 0 HH TYR A 27 11.569 -8.423 -3.213 1.00 0.00 H new ATOM 391 N ARG A 28 11.916 -3.522 1.610 1.00 0.00 N ATOM 392 CA ARG A 28 13.206 -3.201 1.017 1.00 0.00 C ATOM 393 C ARG A 28 13.142 -1.782 0.472 1.00 0.00 C ATOM 394 O ARG A 28 13.661 -1.488 -0.605 1.00 0.00 O ATOM 395 CB ARG A 28 13.548 -4.192 -0.102 1.00 0.00 C ATOM 396 CG ARG A 28 15.006 -4.627 -0.113 1.00 0.00 C ATOM 397 CD ARG A 28 15.237 -5.768 -1.093 1.00 0.00 C ATOM 398 NE ARG A 28 16.570 -5.718 -1.690 1.00 0.00 N ATOM 399 CZ ARG A 28 16.908 -6.358 -2.808 1.00 0.00 C ATOM 400 NH1 ARG A 28 16.012 -7.092 -3.456 1.00 0.00 N ATOM 401 NH2 ARG A 28 18.144 -6.266 -3.280 1.00 0.00 N ATOM 0 H ARG A 28 11.935 -3.630 2.624 1.00 0.00 H new ATOM 0 HA ARG A 28 13.989 -3.274 1.772 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.916 -5.074 0.001 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.307 -3.738 -1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.638 -3.781 -0.382 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.302 -4.940 0.888 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.106 -6.720 -0.578 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.485 -5.726 -1.881 1.00 0.00 H new ATOM 0 HE ARG A 28 17.284 -5.160 -1.223 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.060 -7.168 -3.098 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.276 -7.580 -4.312 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.838 -5.704 -2.787 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.401 -6.757 -4.136 1.00 0.00 H new ATOM 415 N ALA A 29 12.456 -0.915 1.218 1.00 0.00 N ATOM 416 CA ALA A 29 12.263 0.469 0.812 1.00 0.00 C ATOM 417 C ALA A 29 11.296 0.501 -0.362 1.00 0.00 C ATOM 418 O ALA A 29 11.548 1.156 -1.376 1.00 0.00 O ATOM 419 CB ALA A 29 13.590 1.122 0.445 1.00 0.00 C ATOM 0 H ALA A 29 12.024 -1.153 2.111 1.00 0.00 H new ATOM 0 HA ALA A 29 11.846 1.037 1.643 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.416 2.156 0.145 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.257 1.101 1.307 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.048 0.577 -0.381 1.00 0.00 H new ATOM 425 N GLY A 30 10.204 -0.253 -0.229 1.00 0.00 N ATOM 426 CA GLY A 30 9.235 -0.341 -1.301 1.00 0.00 C ATOM 427 C GLY A 30 7.781 -0.112 -0.888 1.00 0.00 C ATOM 428 O GLY A 30 7.464 0.771 -0.093 1.00 0.00 O ATOM 0 H GLY A 30 9.978 -0.801 0.601 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.497 0.389 -2.066 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.314 -1.326 -1.760 1.00 0.00 H new ATOM 432 N ASP A 31 6.916 -0.929 -1.482 1.00 0.00 N ATOM 433 CA ASP A 31 5.466 -0.868 -1.252 1.00 0.00 C ATOM 434 C ASP A 31 4.962 -2.102 -0.526 1.00 0.00 C ATOM 435 O ASP A 31 5.741 -2.895 -0.004 1.00 0.00 O ATOM 436 CB ASP A 31 4.721 -0.707 -2.584 1.00 0.00 C ATOM 437 CG ASP A 31 5.566 -0.056 -3.663 1.00 0.00 C ATOM 438 OD1 ASP A 31 6.096 1.050 -3.419 1.00 0.00 O ATOM 439 OD2 ASP A 31 5.695 -0.649 -4.755 1.00 0.00 O ATOM 0 H ASP A 31 7.197 -1.656 -2.140 1.00 0.00 H new ATOM 0 HA ASP A 31 5.270 -0.001 -0.621 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.392 -1.687 -2.930 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.825 -0.108 -2.422 1.00 0.00 H new ATOM 444 N MET A 32 3.643 -2.240 -0.452 1.00 0.00 N ATOM 445 CA MET A 32 3.019 -3.355 0.245 1.00 0.00 C ATOM 446 C MET A 32 3.558 -4.695 -0.218 1.00 0.00 C ATOM 447 O MET A 32 3.345 -5.122 -1.341 1.00 0.00 O ATOM 448 CB MET A 32 1.522 -3.302 0.024 1.00 0.00 C ATOM 449 CG MET A 32 0.864 -2.064 0.620 1.00 0.00 C ATOM 450 SD MET A 32 -0.908 -2.275 0.881 1.00 0.00 S ATOM 451 CE MET A 32 -0.917 -3.471 2.212 1.00 0.00 C ATOM 0 H MET A 32 2.981 -1.586 -0.871 1.00 0.00 H new ATOM 0 HA MET A 32 3.252 -3.261 1.306 1.00 0.00 H new ATOM 0 HB2 MET A 32 1.319 -3.332 -1.047 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.067 -4.191 0.460 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.341 -1.826 1.571 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.031 -1.214 -0.042 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.766 -4.144 2.091 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.008 -4.047 2.190 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.998 -2.952 3.167 1.00 0.00 H new ATOM 461 N ILE A 33 4.248 -5.327 0.692 1.00 0.00 N ATOM 462 CA ILE A 33 4.868 -6.623 0.509 1.00 0.00 C ATOM 463 C ILE A 33 3.958 -7.689 1.086 1.00 0.00 C ATOM 464 O ILE A 33 3.336 -7.474 2.112 1.00 0.00 O ATOM 465 CB ILE A 33 6.193 -6.537 1.279 1.00 0.00 C ATOM 466 CG1 ILE A 33 7.174 -7.660 0.952 1.00 0.00 C ATOM 467 CG2 ILE A 33 5.907 -6.465 2.771 1.00 0.00 C ATOM 468 CD1 ILE A 33 6.602 -9.035 1.140 1.00 0.00 C ATOM 0 H ILE A 33 4.404 -4.941 1.623 1.00 0.00 H new ATOM 0 HA ILE A 33 5.039 -6.880 -0.536 1.00 0.00 H new ATOM 0 HB ILE A 33 6.694 -5.625 0.954 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.505 -7.552 -0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.057 -7.554 1.582 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.847 -6.404 3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.305 -5.582 2.984 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.364 -7.358 3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.356 -9.780 0.889 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.297 -9.163 2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.737 -9.161 0.489 1.00 0.00 H new ATOM 480 N CYS A 34 3.903 -8.845 0.464 1.00 0.00 N ATOM 481 CA CYS A 34 3.098 -9.921 0.973 1.00 0.00 C ATOM 482 C CYS A 34 4.020 -10.936 1.608 1.00 0.00 C ATOM 483 O CYS A 34 4.716 -11.648 0.908 1.00 0.00 O ATOM 484 CB CYS A 34 2.340 -10.499 -0.176 1.00 0.00 C ATOM 485 SG CYS A 34 0.838 -11.381 0.272 1.00 0.00 S ATOM 0 H CYS A 34 4.408 -9.060 -0.396 1.00 0.00 H new ATOM 0 HA CYS A 34 2.386 -9.588 1.729 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.079 -9.693 -0.862 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.995 -11.180 -0.719 1.00 0.00 H new ATOM 490 N PRO A 35 4.045 -11.003 2.945 1.00 0.00 N ATOM 491 CA PRO A 35 4.934 -11.905 3.675 1.00 0.00 C ATOM 492 C PRO A 35 4.842 -13.352 3.239 1.00 0.00 C ATOM 493 O PRO A 35 5.708 -14.149 3.582 1.00 0.00 O ATOM 494 CB PRO A 35 4.492 -11.758 5.141 1.00 0.00 C ATOM 495 CG PRO A 35 3.187 -11.040 5.099 1.00 0.00 C ATOM 496 CD PRO A 35 3.210 -10.205 3.853 1.00 0.00 C ATOM 0 HA PRO A 35 5.976 -11.640 3.494 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.387 -12.733 5.618 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.228 -11.198 5.718 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.355 -11.744 5.081 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.057 -10.416 5.983 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.209 -10.050 3.451 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.637 -9.219 4.034 1.00 0.00 H new ATOM 504 N GLU A 36 3.841 -13.696 2.456 1.00 0.00 N ATOM 505 CA GLU A 36 3.716 -15.072 1.999 1.00 0.00 C ATOM 506 C GLU A 36 4.223 -15.248 0.586 1.00 0.00 C ATOM 507 O GLU A 36 5.123 -16.047 0.363 1.00 0.00 O ATOM 508 CB GLU A 36 2.294 -15.575 2.130 1.00 0.00 C ATOM 509 CG GLU A 36 1.843 -15.848 3.563 1.00 0.00 C ATOM 510 CD GLU A 36 2.859 -15.426 4.610 1.00 0.00 C ATOM 511 OE1 GLU A 36 2.829 -14.249 5.027 1.00 0.00 O ATOM 512 OE2 GLU A 36 3.687 -16.273 5.007 1.00 0.00 O ATOM 0 H GLU A 36 3.114 -13.061 2.126 1.00 0.00 H new ATOM 0 HA GLU A 36 4.347 -15.677 2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.621 -14.842 1.685 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.193 -16.493 1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.905 -15.323 3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.639 -16.913 3.675 1.00 0.00 H new ATOM 519 N CYS A 37 3.773 -14.440 -0.362 1.00 0.00 N ATOM 520 CA CYS A 37 4.355 -14.557 -1.684 1.00 0.00 C ATOM 521 C CYS A 37 5.444 -13.529 -1.752 1.00 0.00 C ATOM 522 O CYS A 37 6.437 -13.706 -2.422 1.00 0.00 O ATOM 523 CB CYS A 37 3.362 -14.448 -2.857 1.00 0.00 C ATOM 524 SG CYS A 37 2.143 -13.117 -2.764 1.00 0.00 S ATOM 0 H CYS A 37 3.046 -13.733 -0.250 1.00 0.00 H new ATOM 0 HA CYS A 37 4.741 -15.568 -1.812 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.934 -14.323 -3.777 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.828 -15.394 -2.940 1.00 0.00 H new ATOM 529 N GLY A 38 5.225 -12.457 -1.004 1.00 0.00 N ATOM 530 CA GLY A 38 6.165 -11.369 -0.899 1.00 0.00 C ATOM 531 C GLY A 38 6.070 -10.397 -2.053 1.00 0.00 C ATOM 532 O GLY A 38 7.053 -9.782 -2.462 1.00 0.00 O ATOM 0 H GLY A 38 4.379 -12.324 -0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.992 -10.835 0.035 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.177 -11.772 -0.852 1.00 0.00 H new ATOM 536 N LEU A 39 4.862 -10.292 -2.570 1.00 0.00 N ATOM 537 CA LEU A 39 4.581 -9.419 -3.694 1.00 0.00 C ATOM 538 C LEU A 39 4.886 -7.982 -3.325 1.00 0.00 C ATOM 539 O LEU A 39 5.688 -7.741 -2.417 1.00 0.00 O ATOM 540 CB LEU A 39 3.139 -9.583 -4.183 1.00 0.00 C ATOM 541 CG LEU A 39 2.055 -8.940 -3.315 1.00 0.00 C ATOM 542 CD1 LEU A 39 1.429 -7.750 -4.026 1.00 0.00 C ATOM 543 CD2 LEU A 39 0.996 -9.965 -2.996 1.00 0.00 C ATOM 0 H LEU A 39 4.051 -10.806 -2.226 1.00 0.00 H new ATOM 0 HA LEU A 39 5.229 -9.703 -4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.068 -9.164 -5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.924 -10.648 -4.266 1.00 0.00 H new ATOM 0 HG LEU A 39 2.510 -8.584 -2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.661 -7.309 -3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.198 -7.006 -4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.979 -8.081 -4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.223 -9.509 -2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.552 -10.330 -3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.447 -10.798 -2.457 1.00 0.00 H new ATOM 555 N VAL A 40 4.196 -7.048 -3.976 1.00 0.00 N ATOM 556 CA VAL A 40 4.350 -5.630 -3.711 1.00 0.00 C ATOM 557 C VAL A 40 3.159 -4.864 -4.285 1.00 0.00 C ATOM 558 O VAL A 40 2.749 -5.107 -5.420 1.00 0.00 O ATOM 559 CB VAL A 40 5.664 -5.087 -4.300 1.00 0.00 C ATOM 560 CG1 VAL A 40 5.800 -3.594 -4.035 1.00 0.00 C ATOM 561 CG2 VAL A 40 6.841 -5.851 -3.716 1.00 0.00 C ATOM 0 H VAL A 40 3.513 -7.260 -4.704 1.00 0.00 H new ATOM 0 HA VAL A 40 4.386 -5.489 -2.631 1.00 0.00 H new ATOM 0 HB VAL A 40 5.653 -5.231 -5.380 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.736 -3.233 -4.460 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.965 -3.065 -4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.796 -3.413 -2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.770 -5.464 -4.135 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.853 -5.729 -2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.746 -6.909 -3.961 1.00 0.00 H new ATOM 571 N VAL A 41 2.619 -3.935 -3.503 1.00 0.00 N ATOM 572 CA VAL A 41 1.476 -3.129 -3.935 1.00 0.00 C ATOM 573 C VAL A 41 1.558 -1.727 -3.348 1.00 0.00 C ATOM 574 O VAL A 41 2.166 -1.517 -2.304 1.00 0.00 O ATOM 575 CB VAL A 41 0.127 -3.748 -3.505 1.00 0.00 C ATOM 576 CG1 VAL A 41 -1.029 -2.849 -3.925 1.00 0.00 C ATOM 577 CG2 VAL A 41 -0.051 -5.149 -4.071 1.00 0.00 C ATOM 0 H VAL A 41 2.954 -3.719 -2.564 1.00 0.00 H new ATOM 0 HA VAL A 41 1.519 -3.095 -5.024 1.00 0.00 H new ATOM 0 HB VAL A 41 0.130 -3.830 -2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.972 -3.300 -3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.921 -1.873 -3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.023 -2.731 -5.009 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.011 -5.553 -3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.023 -5.108 -5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.753 -5.792 -3.711 1.00 0.00 H new ATOM 587 N GLY A 42 0.931 -0.772 -4.020 1.00 0.00 N ATOM 588 CA GLY A 42 0.944 0.592 -3.539 1.00 0.00 C ATOM 589 C GLY A 42 1.920 1.449 -4.273 1.00 0.00 C ATOM 590 O GLY A 42 2.466 2.403 -3.717 1.00 0.00 O ATOM 0 H GLY A 42 0.415 -0.918 -4.888 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.054 1.018 -3.638 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.189 0.597 -2.477 1.00 0.00 H new ATOM 594 N ASP A 43 2.136 1.121 -5.518 1.00 0.00 N ATOM 595 CA ASP A 43 3.033 1.879 -6.340 1.00 0.00 C ATOM 596 C ASP A 43 2.249 2.414 -7.507 1.00 0.00 C ATOM 597 O ASP A 43 1.821 1.654 -8.376 1.00 0.00 O ATOM 598 CB ASP A 43 4.205 1.015 -6.815 1.00 0.00 C ATOM 599 CG ASP A 43 5.547 1.592 -6.408 1.00 0.00 C ATOM 600 OD1 ASP A 43 5.582 2.407 -5.462 1.00 0.00 O ATOM 601 OD2 ASP A 43 6.564 1.230 -7.036 1.00 0.00 O ATOM 0 H ASP A 43 1.698 0.327 -5.986 1.00 0.00 H new ATOM 0 HA ASP A 43 3.459 2.703 -5.767 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.104 0.011 -6.403 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.167 0.920 -7.900 1.00 0.00 H new ATOM 606 N ARG A 44 2.052 3.729 -7.543 1.00 0.00 N ATOM 607 CA ARG A 44 1.308 4.357 -8.632 1.00 0.00 C ATOM 608 C ARG A 44 1.399 5.879 -8.558 1.00 0.00 C ATOM 609 O ARG A 44 1.585 6.450 -7.482 1.00 0.00 O ATOM 610 CB ARG A 44 -0.160 3.920 -8.602 1.00 0.00 C ATOM 611 CG ARG A 44 -0.924 4.410 -7.381 1.00 0.00 C ATOM 612 CD ARG A 44 -1.101 3.303 -6.352 1.00 0.00 C ATOM 613 NE ARG A 44 -1.460 3.830 -5.038 1.00 0.00 N ATOM 614 CZ ARG A 44 -2.694 4.199 -4.699 1.00 0.00 C ATOM 615 NH1 ARG A 44 -3.690 4.099 -5.571 1.00 0.00 N ATOM 616 NH2 ARG A 44 -2.931 4.671 -3.482 1.00 0.00 N ATOM 0 H ARG A 44 2.395 4.378 -6.835 1.00 0.00 H new ATOM 0 HA ARG A 44 1.757 4.032 -9.570 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.657 4.287 -9.500 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.206 2.831 -8.634 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.391 5.247 -6.929 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.901 4.783 -7.688 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.875 2.614 -6.690 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.177 2.730 -6.273 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.723 3.921 -4.339 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.513 3.737 -6.508 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.632 4.384 -5.304 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.169 4.751 -2.809 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.875 4.954 -3.220 1.00 0.00 H new ATOM 630 N VAL A 45 1.262 6.530 -9.711 1.00 0.00 N ATOM 631 CA VAL A 45 1.326 7.987 -9.775 1.00 0.00 C ATOM 632 C VAL A 45 -0.069 8.595 -9.938 1.00 0.00 C ATOM 633 O VAL A 45 -0.543 9.309 -9.056 1.00 0.00 O ATOM 634 CB VAL A 45 2.255 8.483 -10.916 1.00 0.00 C ATOM 635 CG1 VAL A 45 2.100 7.639 -12.177 1.00 0.00 C ATOM 636 CG2 VAL A 45 2.005 9.955 -11.223 1.00 0.00 C ATOM 0 H VAL A 45 1.107 6.073 -10.610 1.00 0.00 H new ATOM 0 HA VAL A 45 1.750 8.321 -8.828 1.00 0.00 H new ATOM 0 HB VAL A 45 3.282 8.373 -10.567 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.766 8.017 -12.952 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.354 6.603 -11.955 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.069 7.693 -12.527 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.669 10.277 -12.026 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.969 10.091 -11.532 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.199 10.551 -10.331 1.00 0.00 H new ATOM 646 N ILE A 46 -0.719 8.308 -11.064 1.00 0.00 N ATOM 647 CA ILE A 46 -2.057 8.829 -11.335 1.00 0.00 C ATOM 648 C ILE A 46 -2.024 10.333 -11.596 1.00 0.00 C ATOM 649 O ILE A 46 -1.014 10.995 -11.355 1.00 0.00 O ATOM 650 CB ILE A 46 -3.035 8.508 -10.172 1.00 0.00 C ATOM 651 CG1 ILE A 46 -4.358 7.980 -10.729 1.00 0.00 C ATOM 652 CG2 ILE A 46 -3.282 9.723 -9.281 1.00 0.00 C ATOM 653 CD1 ILE A 46 -5.021 6.954 -9.837 1.00 0.00 C ATOM 0 H ILE A 46 -0.340 7.717 -11.804 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.420 8.332 -12.235 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.571 7.740 -9.553 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.041 8.817 -10.877 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.180 7.537 -11.709 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.972 9.453 -8.481 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.338 10.056 -8.850 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.713 10.529 -9.875 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.954 6.623 -10.294 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.357 6.099 -9.709 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.231 7.399 -8.864 1.00 0.00 H new ATOM 665 N ASP A 47 -3.138 10.868 -12.087 1.00 0.00 N ATOM 666 CA ASP A 47 -3.241 12.294 -12.379 1.00 0.00 C ATOM 667 C ASP A 47 -4.467 12.896 -11.699 1.00 0.00 C ATOM 668 O ASP A 47 -5.494 13.124 -12.338 1.00 0.00 O ATOM 669 CB ASP A 47 -3.313 12.523 -13.889 1.00 0.00 C ATOM 670 CG ASP A 47 -2.630 13.811 -14.310 1.00 0.00 C ATOM 671 OD1 ASP A 47 -3.064 14.889 -13.856 1.00 0.00 O ATOM 672 OD2 ASP A 47 -1.661 13.738 -15.095 1.00 0.00 O ATOM 0 H ASP A 47 -3.983 10.335 -12.291 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.351 12.788 -11.989 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.848 11.683 -14.404 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.357 12.549 -14.201 1.00 0.00 H new ATOM 677 N VAL A 48 -4.350 13.152 -10.400 1.00 0.00 N ATOM 678 CA VAL A 48 -5.447 13.725 -9.629 1.00 0.00 C ATOM 679 C VAL A 48 -5.660 15.194 -9.982 1.00 0.00 C ATOM 680 O VAL A 48 -4.707 15.920 -10.265 1.00 0.00 O ATOM 681 CB VAL A 48 -5.189 13.604 -8.115 1.00 0.00 C ATOM 682 CG1 VAL A 48 -6.405 14.062 -7.323 1.00 0.00 C ATOM 683 CG2 VAL A 48 -4.813 12.176 -7.752 1.00 0.00 C ATOM 0 H VAL A 48 -3.505 12.971 -9.859 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.344 13.160 -9.885 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.353 14.254 -7.855 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.201 13.968 -6.256 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.623 15.103 -7.561 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.263 13.443 -7.584 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.634 12.108 -6.679 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.626 11.504 -8.027 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.909 11.890 -8.289 1.00 0.00 H new ATOM 693 N GLY A 49 -6.918 15.624 -9.961 1.00 0.00 N ATOM 694 CA GLY A 49 -7.234 17.003 -10.281 1.00 0.00 C ATOM 695 C GLY A 49 -8.680 17.350 -9.986 1.00 0.00 C ATOM 696 O GLY A 49 -9.359 16.636 -9.249 1.00 0.00 O ATOM 0 H GLY A 49 -7.723 15.042 -9.728 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.581 17.664 -9.711 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.028 17.184 -11.336 1.00 0.00 H new ATOM 700 N SER A 50 -9.151 18.451 -10.565 1.00 0.00 N ATOM 701 CA SER A 50 -10.529 18.897 -10.366 1.00 0.00 C ATOM 702 C SER A 50 -10.736 19.471 -8.962 1.00 0.00 C ATOM 703 O SER A 50 -11.864 19.780 -8.575 1.00 0.00 O ATOM 704 CB SER A 50 -11.507 17.745 -10.607 1.00 0.00 C ATOM 705 OG SER A 50 -12.675 18.195 -11.268 1.00 0.00 O ATOM 0 H SER A 50 -8.599 19.052 -11.177 1.00 0.00 H new ATOM 0 HA SER A 50 -10.724 19.689 -11.089 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.023 16.972 -11.204 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.778 17.289 -9.655 1.00 0.00 H new ATOM 0 HG SER A 50 -13.282 17.439 -11.411 1.00 0.00 H new ATOM 711 N GLU A 51 -9.651 19.612 -8.205 1.00 0.00 N ATOM 712 CA GLU A 51 -9.733 20.151 -6.851 1.00 0.00 C ATOM 713 C GLU A 51 -8.417 20.811 -6.436 1.00 0.00 C ATOM 714 O GLU A 51 -8.161 21.005 -5.248 1.00 0.00 O ATOM 715 CB GLU A 51 -10.091 19.040 -5.860 1.00 0.00 C ATOM 716 CG GLU A 51 -11.577 18.734 -5.799 1.00 0.00 C ATOM 717 CD GLU A 51 -12.402 19.934 -5.375 1.00 0.00 C ATOM 718 OE1 GLU A 51 -12.152 20.470 -4.276 1.00 0.00 O ATOM 719 OE2 GLU A 51 -13.301 20.337 -6.145 1.00 0.00 O ATOM 0 H GLU A 51 -8.709 19.362 -8.505 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.515 20.911 -6.841 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.553 18.133 -6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.747 19.326 -4.866 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.915 18.393 -6.778 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.747 17.915 -5.100 1.00 0.00 H new ATOM 726 N TRP A 52 -7.589 21.157 -7.421 1.00 0.00 N ATOM 727 CA TRP A 52 -6.302 21.800 -7.159 1.00 0.00 C ATOM 728 C TRP A 52 -5.315 20.848 -6.474 1.00 0.00 C ATOM 729 O TRP A 52 -4.190 21.238 -6.161 1.00 0.00 O ATOM 730 CB TRP A 52 -6.496 23.052 -6.301 1.00 0.00 C ATOM 731 CG TRP A 52 -7.532 23.990 -6.842 1.00 0.00 C ATOM 732 CD1 TRP A 52 -7.404 24.820 -7.919 1.00 0.00 C ATOM 733 CD2 TRP A 52 -8.854 24.195 -6.331 1.00 0.00 C ATOM 734 NE1 TRP A 52 -8.565 25.528 -8.109 1.00 0.00 N ATOM 735 CE2 TRP A 52 -9.472 25.163 -7.148 1.00 0.00 C ATOM 736 CE3 TRP A 52 -9.577 23.655 -5.264 1.00 0.00 C ATOM 737 CZ2 TRP A 52 -10.776 25.599 -6.930 1.00 0.00 C ATOM 738 CZ3 TRP A 52 -10.872 24.089 -5.048 1.00 0.00 C ATOM 739 CH2 TRP A 52 -11.459 25.053 -5.878 1.00 0.00 C ATOM 0 H TRP A 52 -7.787 21.002 -8.410 1.00 0.00 H new ATOM 0 HA TRP A 52 -5.879 22.082 -8.123 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -6.780 22.752 -5.292 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -5.545 23.579 -6.221 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -6.519 24.907 -8.532 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -8.727 26.214 -8.846 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -9.132 22.912 -4.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -11.232 26.341 -7.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -11.440 23.678 -4.226 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -12.472 25.372 -5.683 1.00 0.00 H new ATOM 750 N ARG A 53 -5.732 19.601 -6.247 1.00 0.00 N ATOM 751 CA ARG A 53 -4.875 18.606 -5.603 1.00 0.00 C ATOM 752 C ARG A 53 -4.184 19.178 -4.364 1.00 0.00 C ATOM 753 O ARG A 53 -2.956 19.203 -4.282 1.00 0.00 O ATOM 754 CB ARG A 53 -3.827 18.089 -6.592 1.00 0.00 C ATOM 755 CG ARG A 53 -3.438 16.637 -6.361 1.00 0.00 C ATOM 756 CD ARG A 53 -1.951 16.415 -6.581 1.00 0.00 C ATOM 757 NE ARG A 53 -1.663 15.068 -7.070 1.00 0.00 N ATOM 758 CZ ARG A 53 -0.473 14.478 -6.970 1.00 0.00 C ATOM 759 NH1 ARG A 53 0.545 15.113 -6.399 1.00 0.00 N ATOM 760 NH2 ARG A 53 -0.300 13.250 -7.441 1.00 0.00 N ATOM 0 H ARG A 53 -6.658 19.257 -6.500 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.510 17.779 -5.284 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.212 18.197 -7.606 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.935 18.711 -6.522 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.704 16.346 -5.345 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.006 15.996 -7.035 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.577 17.148 -7.296 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.417 16.582 -5.645 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.419 14.548 -7.515 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.417 16.057 -6.035 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.454 14.656 -6.325 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.078 12.758 -7.880 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.611 12.798 -7.364 1.00 0.00 H new ATOM 774 N THR A 54 -4.980 19.629 -3.399 1.00 0.00 N ATOM 775 CA THR A 54 -4.440 20.192 -2.165 1.00 0.00 C ATOM 776 C THR A 54 -5.539 20.387 -1.125 1.00 0.00 C ATOM 777 O THR A 54 -6.724 20.430 -1.458 1.00 0.00 O ATOM 778 CB THR A 54 -3.740 21.527 -2.441 1.00 0.00 C ATOM 779 OG1 THR A 54 -3.724 21.815 -3.826 1.00 0.00 O ATOM 780 CG2 THR A 54 -2.310 21.563 -1.948 1.00 0.00 C ATOM 0 H THR A 54 -5.999 19.616 -3.447 1.00 0.00 H new ATOM 0 HA THR A 54 -3.710 19.486 -1.769 1.00 0.00 H new ATOM 0 HB THR A 54 -4.318 22.272 -1.894 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.273 22.672 -3.977 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.872 22.535 -2.174 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.292 21.399 -0.871 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.734 20.781 -2.444 1.00 0.00 H new ATOM 788 N PHE A 55 -5.137 20.507 0.136 1.00 0.00 N ATOM 789 CA PHE A 55 -6.083 20.702 1.227 1.00 0.00 C ATOM 790 C PHE A 55 -6.479 22.171 1.346 1.00 0.00 C ATOM 791 O PHE A 55 -5.631 23.058 1.281 1.00 0.00 O ATOM 792 CB PHE A 55 -5.483 20.211 2.547 1.00 0.00 C ATOM 793 CG PHE A 55 -4.281 20.998 2.991 1.00 0.00 C ATOM 794 CD1 PHE A 55 -3.015 20.669 2.533 1.00 0.00 C ATOM 795 CD2 PHE A 55 -4.419 22.064 3.864 1.00 0.00 C ATOM 796 CE1 PHE A 55 -1.908 21.390 2.942 1.00 0.00 C ATOM 797 CE2 PHE A 55 -3.317 22.788 4.276 1.00 0.00 C ATOM 798 CZ PHE A 55 -2.059 22.451 3.813 1.00 0.00 C ATOM 0 H PHE A 55 -4.160 20.472 0.427 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.978 20.120 1.008 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.246 20.260 3.324 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.202 19.163 2.441 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.892 19.841 1.850 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.400 22.333 4.227 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.926 21.123 2.580 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.438 23.616 4.959 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.196 23.016 4.132 1.00 0.00 H new ATOM 808 N SER A 56 -7.774 22.417 1.519 1.00 0.00 N ATOM 809 CA SER A 56 -8.283 23.780 1.646 1.00 0.00 C ATOM 810 C SER A 56 -8.050 24.566 0.360 1.00 0.00 C ATOM 811 O SER A 56 -6.968 24.516 -0.224 1.00 0.00 O ATOM 812 CB SER A 56 -7.615 24.492 2.823 1.00 0.00 C ATOM 813 OG SER A 56 -7.786 23.762 4.025 1.00 0.00 O ATOM 0 H SER A 56 -8.490 21.692 1.574 1.00 0.00 H new ATOM 0 HA SER A 56 -9.356 23.725 1.830 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.552 24.619 2.619 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.039 25.490 2.936 1.00 0.00 H new ATOM 0 HG SER A 56 -7.348 24.238 4.762 1.00 0.00 H new ATOM 819 N ASN A 57 -9.074 25.291 -0.078 1.00 0.00 N ATOM 820 CA ASN A 57 -8.982 26.088 -1.296 1.00 0.00 C ATOM 821 C ASN A 57 -8.286 27.419 -1.025 1.00 0.00 C ATOM 822 O ASN A 57 -8.287 27.914 0.102 1.00 0.00 O ATOM 823 CB ASN A 57 -10.376 26.338 -1.874 1.00 0.00 C ATOM 824 CG ASN A 57 -10.333 26.711 -3.343 1.00 0.00 C ATOM 825 OD1 ASN A 57 -9.286 26.631 -3.985 1.00 0.00 O ATOM 826 ND2 ASN A 57 -11.475 27.118 -3.883 1.00 0.00 N ATOM 0 H ASN A 57 -9.978 25.343 0.393 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.390 25.529 -2.021 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.985 25.443 -1.747 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.861 27.137 -1.313 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.508 27.380 -4.868 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.319 27.169 -3.313 1.00 0.00 H new ATOM 833 N ASP A 58 -7.692 27.991 -2.068 1.00 0.00 N ATOM 834 CA ASP A 58 -6.991 29.265 -1.944 1.00 0.00 C ATOM 835 C ASP A 58 -7.726 30.364 -2.706 1.00 0.00 C ATOM 836 O ASP A 58 -8.047 31.413 -2.145 1.00 0.00 O ATOM 837 CB ASP A 58 -5.558 29.134 -2.465 1.00 0.00 C ATOM 838 CG ASP A 58 -4.538 29.089 -1.344 1.00 0.00 C ATOM 839 OD1 ASP A 58 -4.308 27.993 -0.794 1.00 0.00 O ATOM 840 OD2 ASP A 58 -3.966 30.151 -1.019 1.00 0.00 O ATOM 0 H ASP A 58 -7.682 27.593 -3.007 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.962 29.537 -0.889 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.474 28.228 -3.066 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.335 29.974 -3.122 1.00 0.00 H new ATOM 845 N LYS A 59 -7.989 30.118 -3.985 1.00 0.00 N ATOM 846 CA LYS A 59 -8.687 31.087 -4.822 1.00 0.00 C ATOM 847 C LYS A 59 -10.198 30.917 -4.708 1.00 0.00 C ATOM 848 O LYS A 59 -10.734 29.846 -4.985 1.00 0.00 O ATOM 849 CB LYS A 59 -8.254 30.936 -6.282 1.00 0.00 C ATOM 850 CG LYS A 59 -6.957 31.660 -6.610 1.00 0.00 C ATOM 851 CD LYS A 59 -5.887 30.698 -7.103 1.00 0.00 C ATOM 852 CE LYS A 59 -5.299 29.882 -5.963 1.00 0.00 C ATOM 853 NZ LYS A 59 -5.267 28.428 -6.279 1.00 0.00 N ATOM 0 H LYS A 59 -7.729 29.256 -4.465 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.425 32.086 -4.473 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.137 29.877 -6.510 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.046 31.315 -6.928 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.145 32.417 -7.371 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.597 32.182 -5.723 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.315 30.027 -7.848 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.093 31.258 -7.597 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.288 30.230 -5.752 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.887 30.044 -5.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.859 27.907 -5.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.234 28.090 -6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.685 28.270 -7.126 1.00 0.00 H new TER 867 LYS A 59 HETATM 868 ZN ZN A 61 0.950 -13.410 -0.827 1.00 0.00 ZN