USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 427 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 CYS SG : rot 134:sc= -1.78 USER MOD Set 1.2: A 18 HIS : no HE2:sc= -8.96! C(o=-21!,f=-23!) USER MOD Set 1.3: A 34 CYS SG : rot 156:sc= -5.85! USER MOD Set 1.4: A 37 CYS SG : rot -40:sc= -4.26! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 44:sc= 0.963 USER MOD Single : A 14 THR OG1 : rot -140:sc= -0.63 USER MOD Single : A 17 ASN : amide:sc= -0.09 X(o=-0.09,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -125:sc= 0 (180deg=-0.36) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.323 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.235 K(o=-0.23,f=-2.7!) USER MOD Single : A 59 LYS NZ :NH3+ 162:sc= -0.547 (180deg=-0.932) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -31.316 -11.708 -20.986 1.00 0.00 N ATOM 2 CA ALA A 2 -30.813 -10.311 -21.054 1.00 0.00 C ATOM 3 C ALA A 2 -29.415 -10.202 -20.455 1.00 0.00 C ATOM 4 O ALA A 2 -29.235 -10.337 -19.244 1.00 0.00 O ATOM 5 CB ALA A 2 -31.769 -9.372 -20.335 1.00 0.00 C ATOM 0 HA ALA A 2 -30.755 -10.022 -22.103 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -31.389 -8.352 -20.392 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -32.750 -9.421 -20.807 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -31.854 -9.669 -19.290 1.00 0.00 H new ATOM 10 N SER A 3 -28.427 -9.959 -21.310 1.00 0.00 N ATOM 11 CA SER A 3 -27.045 -9.832 -20.864 1.00 0.00 C ATOM 12 C SER A 3 -26.817 -8.489 -20.177 1.00 0.00 C ATOM 13 O SER A 3 -26.062 -7.647 -20.667 1.00 0.00 O ATOM 14 CB SER A 3 -26.090 -9.983 -22.050 1.00 0.00 C ATOM 15 OG SER A 3 -25.984 -11.339 -22.451 1.00 0.00 O ATOM 0 H SER A 3 -28.558 -9.846 -22.315 1.00 0.00 H new ATOM 0 HA SER A 3 -26.846 -10.625 -20.144 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.445 -9.380 -22.886 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.105 -9.603 -21.779 1.00 0.00 H new ATOM 0 HG SER A 3 -25.370 -11.408 -23.211 1.00 0.00 H new ATOM 21 N THR A 4 -27.475 -8.293 -19.039 1.00 0.00 N ATOM 22 CA THR A 4 -27.344 -7.053 -18.283 1.00 0.00 C ATOM 23 C THR A 4 -27.313 -7.330 -16.784 1.00 0.00 C ATOM 24 O THR A 4 -28.349 -7.320 -16.119 1.00 0.00 O ATOM 25 CB THR A 4 -28.498 -6.106 -18.616 1.00 0.00 C ATOM 26 OG1 THR A 4 -29.706 -6.826 -18.784 1.00 0.00 O ATOM 27 CG2 THR A 4 -28.266 -5.298 -19.873 1.00 0.00 C ATOM 0 H THR A 4 -28.105 -8.977 -18.620 1.00 0.00 H new ATOM 0 HA THR A 4 -26.403 -6.581 -18.565 1.00 0.00 H new ATOM 0 HB THR A 4 -28.561 -5.421 -17.771 1.00 0.00 H new ATOM 0 HG1 THR A 4 -30.432 -6.202 -18.995 1.00 0.00 H new ATOM 0 HG21 THR A 4 -29.122 -4.648 -20.051 1.00 0.00 H new ATOM 0 HG22 THR A 4 -27.368 -4.692 -19.755 1.00 0.00 H new ATOM 0 HG23 THR A 4 -28.140 -5.972 -20.721 1.00 0.00 H new ATOM 35 N SER A 5 -26.118 -7.576 -16.258 1.00 0.00 N ATOM 36 CA SER A 5 -25.953 -7.856 -14.835 1.00 0.00 C ATOM 37 C SER A 5 -24.480 -7.813 -14.440 1.00 0.00 C ATOM 38 O SER A 5 -23.859 -8.850 -14.203 1.00 0.00 O ATOM 39 CB SER A 5 -26.547 -9.223 -14.491 1.00 0.00 C ATOM 40 OG SER A 5 -27.897 -9.103 -14.077 1.00 0.00 O ATOM 0 H SER A 5 -25.250 -7.587 -16.794 1.00 0.00 H new ATOM 0 HA SER A 5 -26.483 -7.086 -14.274 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.487 -9.878 -15.360 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.961 -9.689 -13.699 1.00 0.00 H new ATOM 0 HG SER A 5 -28.369 -8.487 -14.675 1.00 0.00 H new ATOM 46 N ARG A 6 -23.926 -6.607 -14.372 1.00 0.00 N ATOM 47 CA ARG A 6 -22.525 -6.427 -14.006 1.00 0.00 C ATOM 48 C ARG A 6 -22.258 -6.962 -12.601 1.00 0.00 C ATOM 49 O ARG A 6 -22.872 -6.517 -11.631 1.00 0.00 O ATOM 50 CB ARG A 6 -22.141 -4.948 -14.088 1.00 0.00 C ATOM 51 CG ARG A 6 -21.148 -4.639 -15.198 1.00 0.00 C ATOM 52 CD ARG A 6 -19.742 -5.087 -14.832 1.00 0.00 C ATOM 53 NE ARG A 6 -19.223 -6.085 -15.764 1.00 0.00 N ATOM 54 CZ ARG A 6 -18.728 -5.793 -16.963 1.00 0.00 C ATOM 55 NH1 ARG A 6 -18.680 -4.534 -17.380 1.00 0.00 N ATOM 56 NH2 ARG A 6 -18.279 -6.762 -17.749 1.00 0.00 N ATOM 0 H ARG A 6 -24.426 -5.739 -14.566 1.00 0.00 H new ATOM 0 HA ARG A 6 -21.914 -6.991 -14.711 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -23.042 -4.355 -14.242 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -21.715 -4.638 -13.134 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -21.461 -5.136 -16.116 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -21.148 -3.568 -15.399 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -19.078 -4.223 -14.820 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -19.745 -5.500 -13.823 1.00 0.00 H new ATOM 0 HE ARG A 6 -19.241 -7.064 -15.478 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -19.024 -3.784 -16.780 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -18.299 -4.316 -18.301 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -18.313 -7.731 -17.434 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -17.899 -6.538 -18.669 1.00 0.00 H new ATOM 70 N LEU A 7 -21.338 -7.915 -12.502 1.00 0.00 N ATOM 71 CA LEU A 7 -20.988 -8.507 -11.217 1.00 0.00 C ATOM 72 C LEU A 7 -20.453 -7.449 -10.258 1.00 0.00 C ATOM 73 O LEU A 7 -20.055 -6.362 -10.676 1.00 0.00 O ATOM 74 CB LEU A 7 -19.948 -9.613 -11.408 1.00 0.00 C ATOM 75 CG LEU A 7 -20.336 -10.703 -12.411 1.00 0.00 C ATOM 76 CD1 LEU A 7 -19.136 -11.112 -13.248 1.00 0.00 C ATOM 77 CD2 LEU A 7 -20.922 -11.908 -11.688 1.00 0.00 C ATOM 0 H LEU A 7 -20.822 -8.294 -13.296 1.00 0.00 H new ATOM 0 HA LEU A 7 -21.891 -8.938 -10.785 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -19.012 -9.158 -11.733 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -19.756 -10.081 -10.442 1.00 0.00 H new ATOM 0 HG LEU A 7 -21.097 -10.300 -13.080 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -19.432 -11.887 -13.954 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -18.762 -10.247 -13.795 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -18.351 -11.496 -12.596 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -21.192 -12.673 -12.416 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -20.183 -12.311 -10.995 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -21.810 -11.604 -11.135 1.00 0.00 H new ATOM 89 N ASP A 8 -20.442 -7.775 -8.969 1.00 0.00 N ATOM 90 CA ASP A 8 -19.954 -6.853 -7.951 1.00 0.00 C ATOM 91 C ASP A 8 -18.437 -6.711 -8.029 1.00 0.00 C ATOM 92 O ASP A 8 -17.700 -7.622 -7.650 1.00 0.00 O ATOM 93 CB ASP A 8 -20.363 -7.333 -6.557 1.00 0.00 C ATOM 94 CG ASP A 8 -19.870 -8.736 -6.264 1.00 0.00 C ATOM 95 OD1 ASP A 8 -20.563 -9.703 -6.648 1.00 0.00 O ATOM 96 OD2 ASP A 8 -18.792 -8.870 -5.649 1.00 0.00 O ATOM 0 H ASP A 8 -20.766 -8.671 -8.605 1.00 0.00 H new ATOM 0 HA ASP A 8 -20.403 -5.877 -8.136 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -19.967 -6.647 -5.808 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -21.449 -7.306 -6.470 1.00 0.00 H new ATOM 101 N ALA A 9 -17.979 -5.565 -8.520 1.00 0.00 N ATOM 102 CA ALA A 9 -16.550 -5.304 -8.648 1.00 0.00 C ATOM 103 C ALA A 9 -15.899 -6.280 -9.623 1.00 0.00 C ATOM 104 O ALA A 9 -16.025 -7.496 -9.477 1.00 0.00 O ATOM 105 CB ALA A 9 -15.875 -5.382 -7.285 1.00 0.00 C ATOM 0 H ALA A 9 -18.577 -4.801 -8.836 1.00 0.00 H new ATOM 0 HA ALA A 9 -16.423 -4.297 -9.046 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -14.809 -5.185 -7.395 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -16.314 -4.640 -6.619 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.019 -6.377 -6.864 1.00 0.00 H new ATOM 111 N LEU A 10 -15.204 -5.740 -10.621 1.00 0.00 N ATOM 112 CA LEU A 10 -14.540 -6.566 -11.622 1.00 0.00 C ATOM 113 C LEU A 10 -13.107 -6.953 -11.220 1.00 0.00 C ATOM 114 O LEU A 10 -12.562 -7.916 -11.761 1.00 0.00 O ATOM 115 CB LEU A 10 -14.529 -5.859 -12.982 1.00 0.00 C ATOM 116 CG LEU A 10 -14.050 -4.403 -12.966 1.00 0.00 C ATOM 117 CD1 LEU A 10 -12.810 -4.236 -13.831 1.00 0.00 C ATOM 118 CD2 LEU A 10 -15.156 -3.471 -13.436 1.00 0.00 C ATOM 0 H LEU A 10 -15.087 -4.736 -10.757 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.115 -7.489 -11.694 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -13.891 -6.425 -13.661 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -15.538 -5.887 -13.394 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.791 -4.141 -11.940 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.486 -3.195 -13.806 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.012 -4.873 -13.450 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.042 -4.519 -14.858 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -14.797 -2.442 -13.418 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -15.447 -3.736 -14.452 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -16.018 -3.566 -12.775 1.00 0.00 H new ATOM 130 N PRO A 11 -12.459 -6.229 -10.278 1.00 0.00 N ATOM 131 CA PRO A 11 -11.096 -6.551 -9.862 1.00 0.00 C ATOM 132 C PRO A 11 -11.058 -7.619 -8.773 1.00 0.00 C ATOM 133 O PRO A 11 -12.066 -8.259 -8.481 1.00 0.00 O ATOM 134 CB PRO A 11 -10.586 -5.218 -9.326 1.00 0.00 C ATOM 135 CG PRO A 11 -11.794 -4.560 -8.752 1.00 0.00 C ATOM 136 CD PRO A 11 -12.979 -5.054 -9.549 1.00 0.00 C ATOM 0 HA PRO A 11 -10.498 -6.962 -10.675 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.816 -5.363 -8.569 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.144 -4.614 -10.119 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.906 -4.810 -7.697 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.710 -3.475 -8.815 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.811 -5.324 -8.899 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.345 -4.290 -10.234 1.00 0.00 H new ATOM 144 N ARG A 12 -9.884 -7.807 -8.177 1.00 0.00 N ATOM 145 CA ARG A 12 -9.713 -8.799 -7.119 1.00 0.00 C ATOM 146 C ARG A 12 -9.203 -8.147 -5.838 1.00 0.00 C ATOM 147 O ARG A 12 -8.067 -7.675 -5.779 1.00 0.00 O ATOM 148 CB ARG A 12 -8.743 -9.896 -7.570 1.00 0.00 C ATOM 149 CG ARG A 12 -7.570 -9.380 -8.389 1.00 0.00 C ATOM 150 CD ARG A 12 -7.882 -9.385 -9.877 1.00 0.00 C ATOM 151 NE ARG A 12 -6.781 -9.934 -10.665 1.00 0.00 N ATOM 152 CZ ARG A 12 -6.888 -10.285 -11.945 1.00 0.00 C ATOM 153 NH1 ARG A 12 -8.044 -10.148 -12.584 1.00 0.00 N ATOM 154 NH2 ARG A 12 -5.836 -10.774 -12.588 1.00 0.00 N ATOM 0 H ARG A 12 -9.038 -7.286 -8.408 1.00 0.00 H new ATOM 0 HA ARG A 12 -10.686 -9.246 -6.914 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.360 -10.413 -6.690 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.290 -10.632 -8.160 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.322 -8.367 -8.072 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.692 -9.998 -8.198 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.784 -9.971 -10.056 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.092 -8.368 -10.207 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.877 -10.056 -10.208 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.856 -9.772 -12.094 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.120 -10.419 -13.565 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.946 -10.881 -12.102 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.917 -11.043 -13.569 1.00 0.00 H new ATOM 168 N VAL A 13 -10.050 -8.125 -4.811 1.00 0.00 N ATOM 169 CA VAL A 13 -9.686 -7.529 -3.527 1.00 0.00 C ATOM 170 C VAL A 13 -8.325 -8.028 -3.044 1.00 0.00 C ATOM 171 O VAL A 13 -7.355 -7.271 -3.008 1.00 0.00 O ATOM 172 CB VAL A 13 -10.746 -7.811 -2.436 1.00 0.00 C ATOM 173 CG1 VAL A 13 -11.804 -6.719 -2.430 1.00 0.00 C ATOM 174 CG2 VAL A 13 -11.389 -9.182 -2.621 1.00 0.00 C ATOM 0 H VAL A 13 -10.993 -8.513 -4.843 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.635 -6.453 -3.695 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.239 -7.813 -1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -12.542 -6.932 -1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.333 -5.757 -2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -12.296 -6.684 -3.402 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -12.128 -9.346 -1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.877 -9.227 -3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.622 -9.954 -2.564 1.00 0.00 H new ATOM 184 N THR A 14 -8.256 -9.305 -2.679 1.00 0.00 N ATOM 185 CA THR A 14 -7.013 -9.903 -2.204 1.00 0.00 C ATOM 186 C THR A 14 -6.318 -10.658 -3.344 1.00 0.00 C ATOM 187 O THR A 14 -6.352 -10.216 -4.492 1.00 0.00 O ATOM 188 CB THR A 14 -7.310 -10.834 -1.023 1.00 0.00 C ATOM 189 OG1 THR A 14 -8.147 -11.904 -1.424 1.00 0.00 O ATOM 190 CG2 THR A 14 -7.986 -10.133 0.136 1.00 0.00 C ATOM 0 H THR A 14 -9.049 -9.947 -2.703 1.00 0.00 H new ATOM 0 HA THR A 14 -6.338 -9.118 -1.864 1.00 0.00 H new ATOM 0 HB THR A 14 -6.337 -11.197 -0.691 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.806 -12.085 -0.721 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.168 -10.849 0.938 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.343 -9.333 0.502 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.935 -9.712 -0.197 1.00 0.00 H new ATOM 198 N CYS A 15 -5.690 -11.791 -3.032 1.00 0.00 N ATOM 199 CA CYS A 15 -5.003 -12.583 -4.044 1.00 0.00 C ATOM 200 C CYS A 15 -6.007 -13.306 -4.939 1.00 0.00 C ATOM 201 O CYS A 15 -6.988 -13.865 -4.452 1.00 0.00 O ATOM 202 CB CYS A 15 -4.086 -13.605 -3.373 1.00 0.00 C ATOM 203 SG CYS A 15 -3.056 -14.549 -4.520 1.00 0.00 S ATOM 0 H CYS A 15 -5.644 -12.178 -2.089 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.408 -11.909 -4.660 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.439 -13.086 -2.666 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.697 -14.299 -2.796 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.833 -14.581 -4.080 1.00 0.00 H new ATOM 209 N PRO A 16 -5.775 -13.311 -6.264 1.00 0.00 N ATOM 210 CA PRO A 16 -6.671 -13.979 -7.213 1.00 0.00 C ATOM 211 C PRO A 16 -6.761 -15.479 -6.957 1.00 0.00 C ATOM 212 O PRO A 16 -7.745 -16.122 -7.327 1.00 0.00 O ATOM 213 CB PRO A 16 -6.025 -13.706 -8.577 1.00 0.00 C ATOM 214 CG PRO A 16 -4.606 -13.371 -8.272 1.00 0.00 C ATOM 215 CD PRO A 16 -4.630 -12.677 -6.943 1.00 0.00 C ATOM 0 HA PRO A 16 -7.694 -13.611 -7.135 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.094 -14.578 -9.228 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.523 -12.884 -9.092 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.991 -14.270 -8.233 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.181 -12.727 -9.042 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.701 -12.825 -6.393 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.769 -11.601 -7.051 1.00 0.00 H new ATOM 223 N ASN A 17 -5.732 -16.035 -6.326 1.00 0.00 N ATOM 224 CA ASN A 17 -5.698 -17.461 -6.026 1.00 0.00 C ATOM 225 C ASN A 17 -5.644 -17.715 -4.520 1.00 0.00 C ATOM 226 O ASN A 17 -5.747 -18.857 -4.075 1.00 0.00 O ATOM 227 CB ASN A 17 -4.490 -18.112 -6.704 1.00 0.00 C ATOM 228 CG ASN A 17 -4.861 -18.816 -7.994 1.00 0.00 C ATOM 229 OD1 ASN A 17 -4.365 -18.474 -9.067 1.00 0.00 O ATOM 230 ND2 ASN A 17 -5.738 -19.808 -7.895 1.00 0.00 N ATOM 0 H ASN A 17 -4.910 -15.519 -6.012 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.616 -17.904 -6.412 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.739 -17.350 -6.912 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.035 -18.829 -6.020 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.025 -20.320 -8.729 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.124 -20.058 -6.985 1.00 0.00 H new ATOM 237 N HIS A 18 -5.486 -16.650 -3.734 1.00 0.00 N ATOM 238 CA HIS A 18 -5.424 -16.787 -2.284 1.00 0.00 C ATOM 239 C HIS A 18 -6.317 -15.769 -1.583 1.00 0.00 C ATOM 240 O HIS A 18 -5.840 -14.744 -1.095 1.00 0.00 O ATOM 241 CB HIS A 18 -3.992 -16.628 -1.784 1.00 0.00 C ATOM 242 CG HIS A 18 -3.074 -17.749 -2.157 1.00 0.00 C ATOM 243 ND1 HIS A 18 -1.858 -17.545 -2.766 1.00 0.00 N ATOM 244 CD2 HIS A 18 -3.178 -19.084 -1.965 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.249 -18.706 -2.930 1.00 0.00 C ATOM 246 NE2 HIS A 18 -2.029 -19.656 -2.454 1.00 0.00 N ATOM 0 H HIS A 18 -5.400 -15.693 -4.075 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.783 -17.788 -2.045 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.585 -15.696 -2.177 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.008 -16.535 -0.698 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.484 -16.639 -3.047 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.009 -19.603 -1.512 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.277 -18.852 -3.378 1.00 0.00 H new ATOM 255 N PRO A 19 -7.626 -16.045 -1.501 1.00 0.00 N ATOM 256 CA PRO A 19 -8.563 -15.148 -0.830 1.00 0.00 C ATOM 257 C PRO A 19 -8.158 -14.918 0.617 1.00 0.00 C ATOM 258 O PRO A 19 -8.309 -13.820 1.154 1.00 0.00 O ATOM 259 CB PRO A 19 -9.908 -15.885 -0.911 1.00 0.00 C ATOM 260 CG PRO A 19 -9.565 -17.300 -1.235 1.00 0.00 C ATOM 261 CD PRO A 19 -8.286 -17.250 -2.022 1.00 0.00 C ATOM 0 HA PRO A 19 -8.597 -14.161 -1.291 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.450 -15.818 0.032 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.549 -15.450 -1.678 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.440 -17.889 -0.326 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.360 -17.771 -1.813 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.680 -18.142 -1.865 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.474 -17.177 -3.093 1.00 0.00 H new ATOM 269 N ASP A 20 -7.637 -15.969 1.244 1.00 0.00 N ATOM 270 CA ASP A 20 -7.201 -15.897 2.629 1.00 0.00 C ATOM 271 C ASP A 20 -5.967 -15.007 2.776 1.00 0.00 C ATOM 272 O ASP A 20 -5.928 -14.132 3.642 1.00 0.00 O ATOM 273 CB ASP A 20 -6.902 -17.299 3.165 1.00 0.00 C ATOM 274 CG ASP A 20 -7.898 -17.741 4.218 1.00 0.00 C ATOM 275 OD1 ASP A 20 -9.046 -17.249 4.192 1.00 0.00 O ATOM 276 OD2 ASP A 20 -7.532 -18.578 5.068 1.00 0.00 O ATOM 0 H ASP A 20 -7.507 -16.883 0.810 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.010 -15.456 3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.911 -18.010 2.339 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.898 -17.316 3.589 1.00 0.00 H new ATOM 281 N ALA A 21 -4.960 -15.230 1.933 1.00 0.00 N ATOM 282 CA ALA A 21 -3.738 -14.432 1.997 1.00 0.00 C ATOM 283 C ALA A 21 -3.985 -13.013 1.507 1.00 0.00 C ATOM 284 O ALA A 21 -3.800 -12.702 0.328 1.00 0.00 O ATOM 285 CB ALA A 21 -2.609 -15.082 1.218 1.00 0.00 C ATOM 0 H ALA A 21 -4.965 -15.947 1.207 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.435 -14.382 3.043 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.715 -14.462 1.287 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.400 -16.067 1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.900 -15.184 0.173 1.00 0.00 H new ATOM 291 N ILE A 22 -4.435 -12.182 2.437 1.00 0.00 N ATOM 292 CA ILE A 22 -4.751 -10.789 2.154 1.00 0.00 C ATOM 293 C ILE A 22 -3.498 -9.977 1.824 1.00 0.00 C ATOM 294 O ILE A 22 -3.018 -9.204 2.652 1.00 0.00 O ATOM 295 CB ILE A 22 -5.484 -10.123 3.334 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.507 -11.084 3.946 1.00 0.00 C ATOM 297 CG2 ILE A 22 -6.164 -8.848 2.867 1.00 0.00 C ATOM 298 CD1 ILE A 22 -6.036 -11.726 5.235 1.00 0.00 C ATOM 0 H ILE A 22 -4.591 -12.454 3.408 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.407 -10.797 1.283 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.754 -9.872 4.103 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.434 -10.543 4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.737 -11.866 3.223 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.680 -8.382 3.707 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.416 -8.159 2.474 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.885 -9.086 2.085 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.810 -12.394 5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.126 -12.295 5.047 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.833 -10.951 5.974 1.00 0.00 H new ATOM 310 N LEU A 23 -2.980 -10.171 0.598 1.00 0.00 N ATOM 311 CA LEU A 23 -1.777 -9.464 0.126 1.00 0.00 C ATOM 312 C LEU A 23 -1.447 -8.292 1.032 1.00 0.00 C ATOM 313 O LEU A 23 -2.195 -7.324 1.115 1.00 0.00 O ATOM 314 CB LEU A 23 -1.950 -8.962 -1.310 1.00 0.00 C ATOM 315 CG LEU A 23 -1.485 -9.928 -2.397 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.663 -10.740 -2.915 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.810 -9.175 -3.532 1.00 0.00 C ATOM 0 H LEU A 23 -3.378 -10.814 -0.086 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.955 -10.180 0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.003 -8.735 -1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.402 -8.026 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.754 -10.612 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.320 -11.426 -3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.101 -11.309 -2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.413 -10.068 -3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.486 -9.882 -4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.514 -8.467 -3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.055 -8.636 -3.147 1.00 0.00 H new ATOM 329 N VAL A 24 -0.349 -8.394 1.738 1.00 0.00 N ATOM 330 CA VAL A 24 0.038 -7.349 2.659 1.00 0.00 C ATOM 331 C VAL A 24 0.726 -6.202 1.946 1.00 0.00 C ATOM 332 O VAL A 24 1.211 -6.346 0.828 1.00 0.00 O ATOM 333 CB VAL A 24 0.926 -7.907 3.773 1.00 0.00 C ATOM 334 CG1 VAL A 24 0.976 -6.948 4.951 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.405 -9.275 4.191 1.00 0.00 C ATOM 0 H VAL A 24 0.292 -9.186 1.695 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.873 -6.956 3.110 1.00 0.00 H new ATOM 0 HB VAL A 24 1.946 -8.018 3.404 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.613 -7.364 5.732 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.381 -5.991 4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.030 -6.801 5.343 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.035 -9.677 4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.619 -9.179 4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.426 -9.949 3.335 1.00 0.00 H new ATOM 345 N GLU A 25 0.742 -5.062 2.610 1.00 0.00 N ATOM 346 CA GLU A 25 1.337 -3.867 2.071 1.00 0.00 C ATOM 347 C GLU A 25 2.827 -3.904 2.270 1.00 0.00 C ATOM 348 O GLU A 25 3.319 -4.134 3.373 1.00 0.00 O ATOM 349 CB GLU A 25 0.743 -2.621 2.731 1.00 0.00 C ATOM 350 CG GLU A 25 -0.652 -2.276 2.235 1.00 0.00 C ATOM 351 CD GLU A 25 -0.637 -1.577 0.890 1.00 0.00 C ATOM 352 OE1 GLU A 25 -0.398 -0.351 0.861 1.00 0.00 O ATOM 353 OE2 GLU A 25 -0.859 -2.256 -0.135 1.00 0.00 O ATOM 0 H GLU A 25 0.340 -4.944 3.540 1.00 0.00 H new ATOM 0 HA GLU A 25 1.122 -3.821 1.003 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.709 -2.773 3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.404 -1.774 2.549 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.243 -3.189 2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.146 -1.637 2.967 1.00 0.00 H new ATOM 360 N ASP A 26 3.532 -3.664 1.191 1.00 0.00 N ATOM 361 CA ASP A 26 4.974 -3.650 1.186 1.00 0.00 C ATOM 362 C ASP A 26 5.595 -4.832 1.929 1.00 0.00 C ATOM 363 O ASP A 26 5.462 -4.968 3.145 1.00 0.00 O ATOM 364 CB ASP A 26 5.500 -2.332 1.753 1.00 0.00 C ATOM 365 CG ASP A 26 6.919 -2.036 1.311 1.00 0.00 C ATOM 366 OD1 ASP A 26 7.858 -2.592 1.920 1.00 0.00 O ATOM 367 OD2 ASP A 26 7.093 -1.249 0.358 1.00 0.00 O ATOM 0 H ASP A 26 3.115 -3.471 0.281 1.00 0.00 H new ATOM 0 HA ASP A 26 5.276 -3.746 0.143 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.847 -1.518 1.437 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.462 -2.367 2.842 1.00 0.00 H new ATOM 372 N TYR A 27 6.313 -5.658 1.179 1.00 0.00 N ATOM 373 CA TYR A 27 7.002 -6.811 1.744 1.00 0.00 C ATOM 374 C TYR A 27 8.294 -7.070 0.988 1.00 0.00 C ATOM 375 O TYR A 27 8.379 -6.837 -0.215 1.00 0.00 O ATOM 376 CB TYR A 27 6.130 -8.061 1.716 1.00 0.00 C ATOM 377 CG TYR A 27 6.348 -8.958 2.915 1.00 0.00 C ATOM 378 CD1 TYR A 27 5.812 -8.635 4.154 1.00 0.00 C ATOM 379 CD2 TYR A 27 7.090 -10.127 2.804 1.00 0.00 C ATOM 380 CE1 TYR A 27 6.011 -9.451 5.252 1.00 0.00 C ATOM 381 CE2 TYR A 27 7.294 -10.947 3.896 1.00 0.00 C ATOM 382 CZ TYR A 27 6.752 -10.606 5.117 1.00 0.00 C ATOM 383 OH TYR A 27 6.952 -11.422 6.207 1.00 0.00 O ATOM 0 H TYR A 27 6.434 -5.550 0.172 1.00 0.00 H new ATOM 0 HA TYR A 27 7.226 -6.581 2.786 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.082 -7.766 1.675 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.338 -8.623 0.806 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.230 -7.732 4.262 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.514 -10.399 1.849 1.00 0.00 H new ATOM 0 HE1 TYR A 27 5.589 -9.185 6.210 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.875 -11.851 3.794 1.00 0.00 H new ATOM 0 HH TYR A 27 7.494 -12.194 5.942 1.00 0.00 H new ATOM 393 N ARG A 28 9.306 -7.539 1.718 1.00 0.00 N ATOM 394 CA ARG A 28 10.608 -7.812 1.129 1.00 0.00 C ATOM 395 C ARG A 28 11.077 -6.588 0.346 1.00 0.00 C ATOM 396 O ARG A 28 11.754 -6.701 -0.675 1.00 0.00 O ATOM 397 CB ARG A 28 10.532 -9.067 0.240 1.00 0.00 C ATOM 398 CG ARG A 28 10.285 -8.801 -1.242 1.00 0.00 C ATOM 399 CD ARG A 28 9.362 -9.843 -1.853 1.00 0.00 C ATOM 400 NE ARG A 28 10.047 -10.664 -2.849 1.00 0.00 N ATOM 401 CZ ARG A 28 9.613 -11.855 -3.256 1.00 0.00 C ATOM 402 NH1 ARG A 28 8.495 -12.369 -2.758 1.00 0.00 N ATOM 403 NH2 ARG A 28 10.299 -12.536 -4.164 1.00 0.00 N ATOM 0 H ARG A 28 9.245 -7.736 2.717 1.00 0.00 H new ATOM 0 HA ARG A 28 11.338 -8.012 1.914 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.465 -9.622 0.342 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.736 -9.710 0.615 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.848 -7.810 -1.366 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.236 -8.799 -1.775 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.966 -10.484 -1.065 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.510 -9.346 -2.317 1.00 0.00 H new ATOM 0 HE ARG A 28 10.909 -10.303 -3.257 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.963 -11.851 -2.059 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.168 -13.282 -3.074 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.159 -12.147 -4.551 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.966 -13.448 -4.476 1.00 0.00 H new ATOM 417 N ALA A 29 10.678 -5.412 0.832 1.00 0.00 N ATOM 418 CA ALA A 29 11.016 -4.161 0.177 1.00 0.00 C ATOM 419 C ALA A 29 10.282 -4.084 -1.151 1.00 0.00 C ATOM 420 O ALA A 29 10.831 -3.634 -2.156 1.00 0.00 O ATOM 421 CB ALA A 29 12.520 -4.045 -0.030 1.00 0.00 C ATOM 0 H ALA A 29 10.120 -5.306 1.679 1.00 0.00 H new ATOM 0 HA ALA A 29 10.708 -3.329 0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.748 -3.100 -0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.024 -4.082 0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.866 -4.870 -0.652 1.00 0.00 H new ATOM 427 N GLY A 30 9.039 -4.566 -1.149 1.00 0.00 N ATOM 428 CA GLY A 30 8.254 -4.581 -2.363 1.00 0.00 C ATOM 429 C GLY A 30 6.874 -3.961 -2.226 1.00 0.00 C ATOM 430 O GLY A 30 6.634 -3.113 -1.368 1.00 0.00 O ATOM 0 H GLY A 30 8.567 -4.944 -0.328 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.802 -4.050 -3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.144 -5.613 -2.697 1.00 0.00 H new ATOM 434 N ASP A 31 5.981 -4.394 -3.111 1.00 0.00 N ATOM 435 CA ASP A 31 4.601 -3.913 -3.167 1.00 0.00 C ATOM 436 C ASP A 31 3.676 -4.735 -2.268 1.00 0.00 C ATOM 437 O ASP A 31 3.956 -4.919 -1.084 1.00 0.00 O ATOM 438 CB ASP A 31 4.134 -3.925 -4.623 1.00 0.00 C ATOM 439 CG ASP A 31 5.197 -3.423 -5.582 1.00 0.00 C ATOM 440 OD1 ASP A 31 5.952 -2.504 -5.203 1.00 0.00 O ATOM 441 OD2 ASP A 31 5.273 -3.949 -6.712 1.00 0.00 O ATOM 0 H ASP A 31 6.196 -5.097 -3.818 1.00 0.00 H new ATOM 0 HA ASP A 31 4.562 -2.892 -2.786 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.850 -4.940 -4.901 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.242 -3.306 -4.719 1.00 0.00 H new ATOM 446 N MET A 32 2.574 -5.220 -2.823 1.00 0.00 N ATOM 447 CA MET A 32 1.613 -6.004 -2.079 1.00 0.00 C ATOM 448 C MET A 32 1.956 -7.485 -2.172 1.00 0.00 C ATOM 449 O MET A 32 1.932 -8.079 -3.238 1.00 0.00 O ATOM 450 CB MET A 32 0.248 -5.728 -2.658 1.00 0.00 C ATOM 451 CG MET A 32 -0.287 -4.356 -2.294 1.00 0.00 C ATOM 452 SD MET A 32 -2.039 -4.167 -2.677 1.00 0.00 S ATOM 453 CE MET A 32 -2.781 -5.088 -1.332 1.00 0.00 C ATOM 0 H MET A 32 2.326 -5.078 -3.802 1.00 0.00 H new ATOM 0 HA MET A 32 1.630 -5.732 -1.024 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.296 -5.816 -3.743 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.450 -6.488 -2.307 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.131 -4.181 -1.230 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.282 -3.595 -2.829 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.442 -5.855 -1.737 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.998 -5.560 -0.739 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.356 -4.410 -0.701 1.00 0.00 H new ATOM 463 N ILE A 33 2.343 -8.055 -1.059 1.00 0.00 N ATOM 464 CA ILE A 33 2.772 -9.434 -1.017 1.00 0.00 C ATOM 465 C ILE A 33 1.697 -10.376 -0.497 1.00 0.00 C ATOM 466 O ILE A 33 1.189 -10.206 0.609 1.00 0.00 O ATOM 467 CB ILE A 33 4.029 -9.516 -0.124 1.00 0.00 C ATOM 468 CG1 ILE A 33 5.070 -10.466 -0.704 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.657 -9.922 1.287 1.00 0.00 C ATOM 470 CD1 ILE A 33 4.623 -11.897 -0.721 1.00 0.00 C ATOM 0 H ILE A 33 2.370 -7.579 -0.157 1.00 0.00 H new ATOM 0 HA ILE A 33 2.989 -9.756 -2.035 1.00 0.00 H new ATOM 0 HB ILE A 33 4.475 -8.522 -0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.309 -10.155 -1.721 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.988 -10.386 -0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.557 -9.974 1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.973 -9.186 1.709 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.173 -10.899 1.269 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.411 -12.519 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.411 -12.224 0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.721 -11.989 -1.326 1.00 0.00 H new ATOM 482 N CYS A 34 1.393 -11.403 -1.278 1.00 0.00 N ATOM 483 CA CYS A 34 0.433 -12.395 -0.851 1.00 0.00 C ATOM 484 C CYS A 34 1.188 -13.467 -0.091 1.00 0.00 C ATOM 485 O CYS A 34 1.775 -14.344 -0.704 1.00 0.00 O ATOM 486 CB CYS A 34 -0.279 -13.027 -2.044 1.00 0.00 C ATOM 487 SG CYS A 34 -1.376 -14.397 -1.616 1.00 0.00 S ATOM 0 H CYS A 34 1.796 -11.565 -2.201 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.324 -11.922 -0.225 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.859 -12.258 -2.555 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.470 -13.384 -2.751 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.282 -14.532 -2.539 1.00 0.00 H new ATOM 493 N PRO A 35 1.195 -13.414 1.250 1.00 0.00 N ATOM 494 CA PRO A 35 1.913 -14.379 2.087 1.00 0.00 C ATOM 495 C PRO A 35 1.754 -15.831 1.640 1.00 0.00 C ATOM 496 O PRO A 35 2.497 -16.703 2.087 1.00 0.00 O ATOM 497 CB PRO A 35 1.302 -14.175 3.486 1.00 0.00 C ATOM 498 CG PRO A 35 0.185 -13.198 3.308 1.00 0.00 C ATOM 499 CD PRO A 35 0.510 -12.415 2.071 1.00 0.00 C ATOM 0 HA PRO A 35 2.988 -14.206 2.039 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.935 -15.117 3.893 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.046 -13.794 4.185 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.770 -13.713 3.204 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.100 -12.541 4.174 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.386 -12.031 1.584 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.147 -11.557 2.287 1.00 0.00 H new ATOM 507 N GLU A 36 0.789 -16.096 0.775 1.00 0.00 N ATOM 508 CA GLU A 36 0.547 -17.448 0.310 1.00 0.00 C ATOM 509 C GLU A 36 1.369 -17.764 -0.933 1.00 0.00 C ATOM 510 O GLU A 36 2.267 -18.598 -0.889 1.00 0.00 O ATOM 511 CB GLU A 36 -0.942 -17.638 0.040 1.00 0.00 C ATOM 512 CG GLU A 36 -1.711 -18.170 1.235 1.00 0.00 C ATOM 513 CD GLU A 36 -1.505 -19.655 1.444 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.478 -20.034 2.046 1.00 0.00 O ATOM 515 OE2 GLU A 36 -2.371 -20.438 1.005 1.00 0.00 O ATOM 0 H GLU A 36 0.163 -15.393 0.382 1.00 0.00 H new ATOM 0 HA GLU A 36 0.860 -18.144 1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.373 -16.684 -0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.067 -18.325 -0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.399 -17.634 2.131 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.774 -17.970 1.097 1.00 0.00 H new ATOM 522 N CYS A 37 1.123 -17.052 -2.020 1.00 0.00 N ATOM 523 CA CYS A 37 1.908 -17.250 -3.237 1.00 0.00 C ATOM 524 C CYS A 37 3.072 -16.288 -3.190 1.00 0.00 C ATOM 525 O CYS A 37 4.114 -16.486 -3.813 1.00 0.00 O ATOM 526 CB CYS A 37 1.071 -16.989 -4.493 1.00 0.00 C ATOM 527 SG CYS A 37 0.258 -15.376 -4.513 1.00 0.00 S ATOM 0 H CYS A 37 0.397 -16.339 -2.090 1.00 0.00 H new ATOM 0 HA CYS A 37 2.251 -18.283 -3.285 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.714 -17.071 -5.369 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.313 -17.767 -4.580 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.196 -15.104 -3.325 1.00 0.00 H new ATOM 533 N GLY A 38 2.854 -15.242 -2.413 1.00 0.00 N ATOM 534 CA GLY A 38 3.824 -14.214 -2.212 1.00 0.00 C ATOM 535 C GLY A 38 3.997 -13.332 -3.426 1.00 0.00 C ATOM 536 O GLY A 38 5.105 -12.898 -3.745 1.00 0.00 O ATOM 0 H GLY A 38 1.983 -15.093 -1.903 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.527 -13.601 -1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.782 -14.668 -1.958 1.00 0.00 H new ATOM 540 N LEU A 39 2.886 -13.065 -4.098 1.00 0.00 N ATOM 541 CA LEU A 39 2.884 -12.226 -5.284 1.00 0.00 C ATOM 542 C LEU A 39 2.981 -10.763 -4.890 1.00 0.00 C ATOM 543 O LEU A 39 2.463 -10.367 -3.846 1.00 0.00 O ATOM 544 CB LEU A 39 1.611 -12.465 -6.105 1.00 0.00 C ATOM 545 CG LEU A 39 0.391 -11.637 -5.674 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.055 -10.592 -6.725 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.805 -12.532 -5.415 1.00 0.00 C ATOM 0 H LEU A 39 1.967 -13.422 -3.837 1.00 0.00 H new ATOM 0 HA LEU A 39 3.748 -12.486 -5.895 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.826 -12.248 -7.151 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.352 -13.522 -6.045 1.00 0.00 H new ATOM 0 HG LEU A 39 0.641 -11.125 -4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.812 -10.016 -6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.906 -9.924 -6.858 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.170 -11.086 -7.670 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.656 -11.923 -5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.055 -13.077 -6.325 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.564 -13.240 -4.622 1.00 0.00 H new ATOM 559 N VAL A 40 3.662 -9.983 -5.719 1.00 0.00 N ATOM 560 CA VAL A 40 3.853 -8.568 -5.464 1.00 0.00 C ATOM 561 C VAL A 40 3.081 -7.721 -6.469 1.00 0.00 C ATOM 562 O VAL A 40 3.375 -7.745 -7.664 1.00 0.00 O ATOM 563 CB VAL A 40 5.345 -8.202 -5.533 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.553 -6.726 -5.246 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.146 -9.061 -4.568 1.00 0.00 C ATOM 0 H VAL A 40 4.094 -10.314 -6.582 1.00 0.00 H new ATOM 0 HA VAL A 40 3.475 -8.361 -4.463 1.00 0.00 H new ATOM 0 HB VAL A 40 5.701 -8.399 -6.544 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.616 -6.491 -5.300 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.012 -6.132 -5.983 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.181 -6.493 -4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.200 -8.790 -4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.787 -8.898 -3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.026 -10.112 -4.831 1.00 0.00 H new ATOM 575 N VAL A 41 2.108 -6.958 -5.982 1.00 0.00 N ATOM 576 CA VAL A 41 1.323 -6.093 -6.858 1.00 0.00 C ATOM 577 C VAL A 41 1.583 -4.630 -6.533 1.00 0.00 C ATOM 578 O VAL A 41 1.755 -4.274 -5.374 1.00 0.00 O ATOM 579 CB VAL A 41 -0.198 -6.323 -6.758 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.855 -6.094 -8.108 1.00 0.00 C ATOM 581 CG2 VAL A 41 -0.537 -7.703 -6.244 1.00 0.00 C ATOM 0 H VAL A 41 1.845 -6.920 -4.997 1.00 0.00 H new ATOM 0 HA VAL A 41 1.643 -6.346 -7.869 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.585 -5.603 -6.037 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.929 -6.260 -8.023 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.671 -5.070 -8.433 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.438 -6.787 -8.838 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.620 -7.816 -6.192 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.126 -8.454 -6.919 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.110 -7.836 -5.250 1.00 0.00 H new ATOM 591 N GLY A 42 1.596 -3.795 -7.572 1.00 0.00 N ATOM 592 CA GLY A 42 1.832 -2.372 -7.416 1.00 0.00 C ATOM 593 C GLY A 42 1.410 -1.841 -6.070 1.00 0.00 C ATOM 594 O GLY A 42 2.253 -1.526 -5.232 1.00 0.00 O ATOM 0 H GLY A 42 1.444 -4.090 -8.537 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.893 -2.169 -7.563 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.293 -1.834 -8.196 1.00 0.00 H new ATOM 598 N ASP A 43 0.101 -1.752 -5.861 1.00 0.00 N ATOM 599 CA ASP A 43 -0.449 -1.267 -4.602 1.00 0.00 C ATOM 600 C ASP A 43 -1.863 -0.726 -4.796 1.00 0.00 C ATOM 601 O ASP A 43 -2.442 -0.838 -5.876 1.00 0.00 O ATOM 602 CB ASP A 43 0.430 -0.163 -3.995 1.00 0.00 C ATOM 603 CG ASP A 43 1.281 -0.668 -2.844 1.00 0.00 C ATOM 604 OD1 ASP A 43 1.648 -1.861 -2.854 1.00 0.00 O ATOM 605 OD2 ASP A 43 1.582 0.132 -1.933 1.00 0.00 O ATOM 0 H ASP A 43 -0.602 -2.011 -6.553 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.476 -2.116 -3.919 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.078 0.248 -4.769 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.204 0.651 -3.644 1.00 0.00 H new ATOM 610 N ARG A 44 -2.403 -0.124 -3.740 1.00 0.00 N ATOM 611 CA ARG A 44 -3.739 0.456 -3.784 1.00 0.00 C ATOM 612 C ARG A 44 -3.652 1.975 -3.893 1.00 0.00 C ATOM 613 O ARG A 44 -4.402 2.600 -4.641 1.00 0.00 O ATOM 614 CB ARG A 44 -4.531 0.067 -2.534 1.00 0.00 C ATOM 615 CG ARG A 44 -4.435 -1.409 -2.187 1.00 0.00 C ATOM 616 CD ARG A 44 -5.268 -2.258 -3.132 1.00 0.00 C ATOM 617 NE ARG A 44 -6.671 -1.855 -3.136 1.00 0.00 N ATOM 618 CZ ARG A 44 -7.603 -2.422 -3.899 1.00 0.00 C ATOM 619 NH1 ARG A 44 -7.286 -3.417 -4.718 1.00 0.00 N ATOM 620 NH2 ARG A 44 -8.858 -1.993 -3.842 1.00 0.00 N ATOM 0 H ARG A 44 -1.932 -0.026 -2.840 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.255 0.067 -4.662 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.171 0.654 -1.689 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.579 0.329 -2.682 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.394 -1.728 -2.232 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.772 -1.566 -1.162 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.865 -2.178 -4.142 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.192 -3.306 -2.840 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.954 -1.094 -2.518 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.324 -3.752 -4.765 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.005 -3.847 -5.300 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.108 -1.229 -3.214 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.572 -2.427 -4.426 1.00 0.00 H new ATOM 634 N VAL A 45 -2.720 2.558 -3.143 1.00 0.00 N ATOM 635 CA VAL A 45 -2.514 4.002 -3.150 1.00 0.00 C ATOM 636 C VAL A 45 -3.784 4.748 -2.759 1.00 0.00 C ATOM 637 O VAL A 45 -4.763 4.766 -3.506 1.00 0.00 O ATOM 638 CB VAL A 45 -2.039 4.511 -4.530 1.00 0.00 C ATOM 639 CG1 VAL A 45 -1.063 5.665 -4.364 1.00 0.00 C ATOM 640 CG2 VAL A 45 -1.405 3.387 -5.339 1.00 0.00 C ATOM 0 H VAL A 45 -2.093 2.049 -2.520 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.736 4.202 -2.413 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.911 4.869 -5.077 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.739 6.011 -5.345 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.553 6.482 -3.834 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.197 5.330 -3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.080 3.773 -6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.545 2.990 -4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.135 2.593 -5.493 1.00 0.00 H new ATOM 650 N ILE A 46 -3.762 5.368 -1.583 1.00 0.00 N ATOM 651 CA ILE A 46 -4.910 6.119 -1.092 1.00 0.00 C ATOM 652 C ILE A 46 -4.493 7.102 0.001 1.00 0.00 C ATOM 653 O ILE A 46 -5.173 7.244 1.018 1.00 0.00 O ATOM 654 CB ILE A 46 -6.007 5.180 -0.550 1.00 0.00 C ATOM 655 CG1 ILE A 46 -7.256 5.978 -0.169 1.00 0.00 C ATOM 656 CG2 ILE A 46 -5.492 4.386 0.645 1.00 0.00 C ATOM 657 CD1 ILE A 46 -8.550 5.247 -0.453 1.00 0.00 C ATOM 0 H ILE A 46 -2.960 5.364 -0.953 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.315 6.676 -1.937 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.276 4.476 -1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.211 6.222 0.892 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.254 6.922 -0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.281 3.730 1.013 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.634 3.787 0.341 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.193 5.073 1.437 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.393 5.872 -0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.617 5.026 -1.518 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -8.573 4.316 0.113 1.00 0.00 H new ATOM 669 N ASP A 47 -3.369 7.777 -0.218 1.00 0.00 N ATOM 670 CA ASP A 47 -2.859 8.745 0.747 1.00 0.00 C ATOM 671 C ASP A 47 -2.953 10.167 0.202 1.00 0.00 C ATOM 672 O ASP A 47 -2.996 11.132 0.966 1.00 0.00 O ATOM 673 CB ASP A 47 -1.407 8.421 1.106 1.00 0.00 C ATOM 674 CG ASP A 47 -0.949 9.134 2.362 1.00 0.00 C ATOM 675 OD1 ASP A 47 -0.664 10.348 2.285 1.00 0.00 O ATOM 676 OD2 ASP A 47 -0.876 8.480 3.424 1.00 0.00 O ATOM 0 H ASP A 47 -2.794 7.672 -1.054 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.474 8.680 1.644 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.301 7.345 1.243 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.759 8.702 0.276 1.00 0.00 H new ATOM 681 N VAL A 48 -2.982 10.293 -1.123 1.00 0.00 N ATOM 682 CA VAL A 48 -3.068 11.601 -1.767 1.00 0.00 C ATOM 683 C VAL A 48 -1.738 12.341 -1.678 1.00 0.00 C ATOM 684 O VAL A 48 -0.873 11.990 -0.876 1.00 0.00 O ATOM 685 CB VAL A 48 -4.175 12.476 -1.141 1.00 0.00 C ATOM 686 CG1 VAL A 48 -4.530 13.631 -2.062 1.00 0.00 C ATOM 687 CG2 VAL A 48 -5.408 11.641 -0.827 1.00 0.00 C ATOM 0 H VAL A 48 -2.947 9.506 -1.771 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.316 11.420 -2.813 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.796 12.888 -0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.312 14.236 -1.603 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.647 14.247 -2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.886 13.240 -3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.176 12.277 -0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.789 11.195 -1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.143 10.852 -0.123 1.00 0.00 H new ATOM 697 N GLY A 49 -1.579 13.370 -2.509 1.00 0.00 N ATOM 698 CA GLY A 49 -0.349 14.144 -2.510 1.00 0.00 C ATOM 699 C GLY A 49 0.070 14.584 -1.121 1.00 0.00 C ATOM 700 O GLY A 49 1.218 14.386 -0.719 1.00 0.00 O ATOM 0 H GLY A 49 -2.280 13.681 -3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.449 13.549 -2.954 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.479 15.023 -3.141 1.00 0.00 H new ATOM 704 N SER A 50 -0.860 15.182 -0.384 1.00 0.00 N ATOM 705 CA SER A 50 -0.580 15.651 0.969 1.00 0.00 C ATOM 706 C SER A 50 -1.855 16.131 1.653 1.00 0.00 C ATOM 707 O SER A 50 -2.941 16.072 1.075 1.00 0.00 O ATOM 708 CB SER A 50 0.452 16.780 0.937 1.00 0.00 C ATOM 709 OG SER A 50 0.006 17.855 0.128 1.00 0.00 O ATOM 0 H SER A 50 -1.814 15.354 -0.701 1.00 0.00 H new ATOM 0 HA SER A 50 -0.176 14.815 1.540 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.638 17.136 1.950 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.399 16.401 0.554 1.00 0.00 H new ATOM 0 HG SER A 50 0.682 18.565 0.125 1.00 0.00 H new ATOM 715 N GLU A 51 -1.717 16.606 2.886 1.00 0.00 N ATOM 716 CA GLU A 51 -2.860 17.095 3.648 1.00 0.00 C ATOM 717 C GLU A 51 -2.409 17.738 4.957 1.00 0.00 C ATOM 718 O GLU A 51 -3.039 17.553 5.998 1.00 0.00 O ATOM 719 CB GLU A 51 -3.835 15.952 3.935 1.00 0.00 C ATOM 720 CG GLU A 51 -5.296 16.359 3.831 1.00 0.00 C ATOM 721 CD GLU A 51 -6.140 15.798 4.960 1.00 0.00 C ATOM 722 OE1 GLU A 51 -5.699 14.820 5.600 1.00 0.00 O ATOM 723 OE2 GLU A 51 -7.240 16.337 5.203 1.00 0.00 O ATOM 0 H GLU A 51 -0.826 16.663 3.379 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.366 17.853 3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.643 15.137 3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.644 15.565 4.936 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.367 17.447 3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.698 16.017 2.877 1.00 0.00 H new ATOM 730 N TRP A 52 -1.317 18.495 4.895 1.00 0.00 N ATOM 731 CA TRP A 52 -0.775 19.174 6.071 1.00 0.00 C ATOM 732 C TRP A 52 -0.185 18.177 7.067 1.00 0.00 C ATOM 733 O TRP A 52 1.003 18.238 7.387 1.00 0.00 O ATOM 734 CB TRP A 52 -1.855 20.022 6.752 1.00 0.00 C ATOM 735 CG TRP A 52 -1.731 21.485 6.459 1.00 0.00 C ATOM 736 CD1 TRP A 52 -0.587 22.228 6.461 1.00 0.00 C ATOM 737 CD2 TRP A 52 -2.793 22.383 6.118 1.00 0.00 C ATOM 738 NE1 TRP A 52 -0.872 23.535 6.143 1.00 0.00 N ATOM 739 CE2 TRP A 52 -2.220 23.656 5.928 1.00 0.00 C ATOM 740 CE3 TRP A 52 -4.174 22.238 5.955 1.00 0.00 C ATOM 741 CZ2 TRP A 52 -2.978 24.771 5.583 1.00 0.00 C ATOM 742 CZ3 TRP A 52 -4.926 23.347 5.613 1.00 0.00 C ATOM 743 CH2 TRP A 52 -4.327 24.598 5.430 1.00 0.00 C ATOM 0 H TRP A 52 -0.787 18.655 4.038 1.00 0.00 H new ATOM 0 HA TRP A 52 0.027 19.830 5.731 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.837 19.676 6.429 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.802 19.869 7.830 1.00 0.00 H new ATOM 0 HD1 TRP A 52 0.399 21.845 6.680 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.191 24.291 6.078 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.645 21.276 6.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -2.518 25.738 5.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -5.994 23.246 5.485 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -4.942 25.445 5.162 1.00 0.00 H new ATOM 754 N ARG A 53 -1.023 17.263 7.559 1.00 0.00 N ATOM 755 CA ARG A 53 -0.590 16.253 8.523 1.00 0.00 C ATOM 756 C ARG A 53 -0.523 16.840 9.931 1.00 0.00 C ATOM 757 O ARG A 53 0.491 16.721 10.619 1.00 0.00 O ATOM 758 CB ARG A 53 0.769 15.665 8.128 1.00 0.00 C ATOM 759 CG ARG A 53 0.841 14.152 8.258 1.00 0.00 C ATOM 760 CD ARG A 53 1.161 13.729 9.683 1.00 0.00 C ATOM 761 NE ARG A 53 1.422 12.295 9.782 1.00 0.00 N ATOM 762 CZ ARG A 53 1.373 11.610 10.923 1.00 0.00 C ATOM 763 NH1 ARG A 53 1.075 12.223 12.061 1.00 0.00 N ATOM 764 NH2 ARG A 53 1.621 10.308 10.923 1.00 0.00 N ATOM 0 H ARG A 53 -2.009 17.202 7.304 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.327 15.450 8.517 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.990 15.943 7.097 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.543 16.112 8.752 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.109 13.714 7.952 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.603 13.764 7.582 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.031 14.281 10.039 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.328 13.992 10.335 1.00 0.00 H new ATOM 0 HE ARG A 53 1.655 11.789 8.928 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.882 13.225 12.065 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.039 11.693 12.932 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.849 9.832 10.050 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.584 9.782 11.796 1.00 0.00 H new ATOM 778 N THR A 54 -1.614 17.471 10.351 1.00 0.00 N ATOM 779 CA THR A 54 -1.689 18.079 11.675 1.00 0.00 C ATOM 780 C THR A 54 -3.130 18.107 12.173 1.00 0.00 C ATOM 781 O THR A 54 -4.053 17.729 11.453 1.00 0.00 O ATOM 782 CB THR A 54 -1.118 19.498 11.640 1.00 0.00 C ATOM 783 OG1 THR A 54 -0.106 19.608 10.656 1.00 0.00 O ATOM 784 CG2 THR A 54 -0.523 19.936 12.962 1.00 0.00 C ATOM 0 H THR A 54 -2.461 17.575 9.792 1.00 0.00 H new ATOM 0 HA THR A 54 -1.096 17.476 12.363 1.00 0.00 H new ATOM 0 HB THR A 54 -1.965 20.144 11.409 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.245 20.523 10.649 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.136 20.951 12.868 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.293 19.911 13.734 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.289 19.262 13.237 1.00 0.00 H new ATOM 792 N PHE A 55 -3.318 18.559 13.410 1.00 0.00 N ATOM 793 CA PHE A 55 -4.648 18.637 14.000 1.00 0.00 C ATOM 794 C PHE A 55 -5.078 20.089 14.189 1.00 0.00 C ATOM 795 O PHE A 55 -5.235 20.562 15.314 1.00 0.00 O ATOM 796 CB PHE A 55 -4.683 17.898 15.341 1.00 0.00 C ATOM 797 CG PHE A 55 -3.634 18.359 16.313 1.00 0.00 C ATOM 798 CD1 PHE A 55 -2.329 17.901 16.215 1.00 0.00 C ATOM 799 CD2 PHE A 55 -3.953 19.247 17.329 1.00 0.00 C ATOM 800 CE1 PHE A 55 -1.363 18.321 17.107 1.00 0.00 C ATOM 801 CE2 PHE A 55 -2.990 19.670 18.225 1.00 0.00 C ATOM 802 CZ PHE A 55 -1.694 19.207 18.114 1.00 0.00 C ATOM 0 H PHE A 55 -2.566 18.876 14.022 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.348 18.159 13.315 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.666 18.029 15.792 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.555 16.831 15.161 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.065 17.207 15.431 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.965 19.612 17.421 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.350 17.958 17.018 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.251 20.362 19.012 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.940 19.537 18.813 1.00 0.00 H new ATOM 812 N SER A 56 -5.265 20.793 13.076 1.00 0.00 N ATOM 813 CA SER A 56 -5.677 22.191 13.116 1.00 0.00 C ATOM 814 C SER A 56 -4.635 23.045 13.833 1.00 0.00 C ATOM 815 O SER A 56 -3.787 22.527 14.561 1.00 0.00 O ATOM 816 CB SER A 56 -7.031 22.327 13.813 1.00 0.00 C ATOM 817 OG SER A 56 -7.891 21.254 13.470 1.00 0.00 O ATOM 0 H SER A 56 -5.138 20.418 12.136 1.00 0.00 H new ATOM 0 HA SER A 56 -5.768 22.546 12.089 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.887 22.351 14.893 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.495 23.273 13.533 1.00 0.00 H new ATOM 0 HG SER A 56 -8.750 21.363 13.930 1.00 0.00 H new ATOM 823 N ASN A 57 -4.704 24.355 13.622 1.00 0.00 N ATOM 824 CA ASN A 57 -3.768 25.280 14.248 1.00 0.00 C ATOM 825 C ASN A 57 -4.002 25.358 15.753 1.00 0.00 C ATOM 826 O ASN A 57 -5.005 24.858 16.262 1.00 0.00 O ATOM 827 CB ASN A 57 -3.903 26.673 13.628 1.00 0.00 C ATOM 828 CG ASN A 57 -2.610 27.462 13.690 1.00 0.00 C ATOM 829 OD1 ASN A 57 -1.534 26.897 13.883 1.00 0.00 O ATOM 830 ND2 ASN A 57 -2.711 28.775 13.524 1.00 0.00 N ATOM 0 H ASN A 57 -5.399 24.800 13.022 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.759 24.907 14.074 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.217 26.576 12.589 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.687 27.224 14.147 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.875 29.359 13.554 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.625 29.200 13.366 1.00 0.00 H new ATOM 837 N ASP A 58 -3.070 25.989 16.461 1.00 0.00 N ATOM 838 CA ASP A 58 -3.175 26.131 17.908 1.00 0.00 C ATOM 839 C ASP A 58 -4.408 26.944 18.286 1.00 0.00 C ATOM 840 O ASP A 58 -5.119 26.609 19.234 1.00 0.00 O ATOM 841 CB ASP A 58 -1.918 26.799 18.468 1.00 0.00 C ATOM 842 CG ASP A 58 -1.816 26.667 19.976 1.00 0.00 C ATOM 843 OD1 ASP A 58 -1.658 25.527 20.462 1.00 0.00 O ATOM 844 OD2 ASP A 58 -1.895 27.703 20.669 1.00 0.00 O ATOM 0 H ASP A 58 -2.234 26.410 16.056 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.272 25.135 18.340 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.037 26.353 18.007 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.920 27.855 18.198 1.00 0.00 H new ATOM 849 N LYS A 59 -4.658 28.014 17.539 1.00 0.00 N ATOM 850 CA LYS A 59 -5.807 28.876 17.795 1.00 0.00 C ATOM 851 C LYS A 59 -7.085 28.259 17.233 1.00 0.00 C ATOM 852 O LYS A 59 -7.102 27.028 17.022 1.00 0.00 O ATOM 853 CB LYS A 59 -5.582 30.258 17.181 1.00 0.00 C ATOM 854 CG LYS A 59 -4.892 31.236 18.121 1.00 0.00 C ATOM 855 CD LYS A 59 -3.457 31.502 17.695 1.00 0.00 C ATOM 856 CE LYS A 59 -2.520 30.405 18.177 1.00 0.00 C ATOM 857 NZ LYS A 59 -1.521 30.034 17.137 1.00 0.00 N ATOM 0 H LYS A 59 -4.080 28.306 16.751 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.918 28.980 18.874 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.983 30.152 16.277 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.543 30.674 16.879 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.446 32.174 18.142 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.903 30.837 19.135 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.406 31.574 16.609 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.130 32.462 18.094 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.002 30.739 19.076 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.102 29.525 18.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.730 29.526 17.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.970 29.422 16.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.164 30.895 16.676 1.00 0.00 H new TER 871 LYS A 59