USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 635 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 63 LYS NZ :NH3+ -119:sc= 0.581 (180deg=0) USER MOD Set 1.2: A 64 ASN : amide:sc= -2.48 K(o=-1.9,f=-2.5) USER MOD Set 2.1: A 23 THR OG1 : rot -14:sc= 1.09 USER MOD Set 2.2: A 26 THR OG1 : rot -150:sc= 1.09 USER MOD Set 3.1: A 13 GLN : amide:sc= 0.512 X(o=1.4,f=1.9) USER MOD Set 3.2: A 45 SER OG : rot 84:sc= 0.793 USER MOD Set 3.3: A 49 HIS : no HD1:sc= 0.0891 K(o=1.4,f=-3!) USER MOD Single : A 3 THR OG1 : rot -100:sc= -0.629 USER MOD Single : A 8 THR OG1 : rot 55:sc= 1.33 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -160:sc= -0.0654 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0267 USER MOD Single : A 38 SER OG : rot 178:sc= 0.28 USER MOD Single : A 39 HIS : no HE2:sc= -1.77 K(o=-1.8,f=-2.8) USER MOD Single : A 40 MET CE :methyl -173:sc= 0 (180deg=-0.0875) USER MOD Single : A 41 ASN : amide:sc= 0.342 X(o=0.34,f=0) USER MOD Single : A 50 TYR OH : rot 111:sc= -0.0883 USER MOD Single : A 51 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0169) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.429 K(o=-0.43,f=-4.4!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -122:sc= 1.99 (180deg=-0.117) USER MOD Single : A 79 LYS NZ :NH3+ -158:sc= 1.31 (180deg=0.669) USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 -10.982 3.755 6.020 1.00 0.00 N ATOM 21 CA PRO A 2 -10.859 5.193 6.395 1.00 0.00 C ATOM 22 C PRO A 2 -9.509 5.808 5.962 1.00 0.00 C ATOM 23 O PRO A 2 -9.043 6.800 6.545 1.00 0.00 O ATOM 24 CB PRO A 2 -10.984 5.107 7.927 1.00 0.00 C ATOM 25 CG PRO A 2 -10.233 3.855 8.289 1.00 0.00 C ATOM 26 CD PRO A 2 -10.403 2.899 7.108 1.00 0.00 C ATOM 0 HA PRO A 2 -11.595 5.838 5.915 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -10.554 5.984 8.411 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -12.027 5.050 8.239 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -9.179 4.071 8.467 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -10.627 3.416 9.205 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -9.450 2.464 6.808 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -11.066 2.071 7.358 1.00 0.00 H new ATOM 34 N THR A 3 -8.926 5.225 4.909 1.00 0.00 N ATOM 35 CA THR A 3 -7.538 5.470 4.529 1.00 0.00 C ATOM 36 C THR A 3 -7.351 6.851 3.867 1.00 0.00 C ATOM 37 O THR A 3 -6.511 7.617 4.318 1.00 0.00 O ATOM 38 CB THR A 3 -7.023 4.340 3.595 1.00 0.00 C ATOM 39 OG1 THR A 3 -7.348 3.060 4.165 1.00 0.00 O ATOM 40 CG2 THR A 3 -5.506 4.429 3.375 1.00 0.00 C ATOM 0 H THR A 3 -9.409 4.568 4.296 1.00 0.00 H new ATOM 0 HA THR A 3 -6.946 5.470 5.444 1.00 0.00 H new ATOM 0 HB THR A 3 -7.511 4.459 2.627 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.558 2.691 4.612 1.00 0.00 H new ATOM 0 HG21 THR A 3 -5.186 3.621 2.717 1.00 0.00 H new ATOM 0 HG22 THR A 3 -5.260 5.388 2.919 1.00 0.00 H new ATOM 0 HG23 THR A 3 -4.994 4.341 4.333 1.00 0.00 H new ATOM 48 N LEU A 4 -8.164 7.171 2.824 1.00 0.00 N ATOM 49 CA LEU A 4 -8.071 8.471 2.100 1.00 0.00 C ATOM 50 C LEU A 4 -8.263 9.644 3.079 1.00 0.00 C ATOM 51 O LEU A 4 -7.526 10.627 3.034 1.00 0.00 O ATOM 52 CB LEU A 4 -9.130 8.570 0.960 1.00 0.00 C ATOM 53 CG LEU A 4 -8.988 7.554 -0.211 1.00 0.00 C ATOM 54 CD1 LEU A 4 -10.085 7.756 -1.280 1.00 0.00 C ATOM 55 CD2 LEU A 4 -7.592 7.644 -0.845 1.00 0.00 C ATOM 0 H LEU A 4 -8.889 6.549 2.466 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.078 8.525 1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.119 8.446 1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.091 9.577 0.545 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.116 6.556 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.952 7.028 -2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.066 7.619 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.012 8.763 -1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.516 6.925 -1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.432 8.650 -1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.836 7.420 -0.093 1.00 0.00 H new ATOM 67 N ASP A 5 -9.248 9.471 3.988 1.00 0.00 N ATOM 68 CA ASP A 5 -9.549 10.419 5.078 1.00 0.00 C ATOM 69 C ASP A 5 -8.301 10.691 5.934 1.00 0.00 C ATOM 70 O ASP A 5 -7.936 11.842 6.174 1.00 0.00 O ATOM 71 CB ASP A 5 -10.692 9.844 5.961 1.00 0.00 C ATOM 72 CG ASP A 5 -10.980 10.681 7.228 1.00 0.00 C ATOM 73 OD1 ASP A 5 -11.444 11.831 7.100 1.00 0.00 O ATOM 74 OD2 ASP A 5 -10.746 10.195 8.355 1.00 0.00 O ATOM 0 H ASP A 5 -9.863 8.657 3.983 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.867 11.366 4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.602 9.779 5.365 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.433 8.828 6.259 1.00 0.00 H new ATOM 79 N ALA A 6 -7.654 9.602 6.364 1.00 0.00 N ATOM 80 CA ALA A 6 -6.463 9.652 7.224 1.00 0.00 C ATOM 81 C ALA A 6 -5.256 10.283 6.496 1.00 0.00 C ATOM 82 O ALA A 6 -4.490 11.051 7.089 1.00 0.00 O ATOM 83 CB ALA A 6 -6.113 8.242 7.709 1.00 0.00 C ATOM 0 H ALA A 6 -7.943 8.654 6.124 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.694 10.285 8.081 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.230 8.285 8.346 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.950 7.834 8.276 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.910 7.602 6.850 1.00 0.00 H new ATOM 89 N LEU A 7 -5.108 9.950 5.197 1.00 0.00 N ATOM 90 CA LEU A 7 -3.956 10.376 4.381 1.00 0.00 C ATOM 91 C LEU A 7 -4.062 11.862 3.991 1.00 0.00 C ATOM 92 O LEU A 7 -3.037 12.501 3.782 1.00 0.00 O ATOM 93 CB LEU A 7 -3.803 9.501 3.099 1.00 0.00 C ATOM 94 CG LEU A 7 -3.575 7.967 3.302 1.00 0.00 C ATOM 95 CD1 LEU A 7 -3.355 7.255 1.948 1.00 0.00 C ATOM 96 CD2 LEU A 7 -2.423 7.677 4.283 1.00 0.00 C ATOM 0 H LEU A 7 -5.783 9.380 4.687 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.068 10.240 4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.699 9.632 2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.966 9.893 2.521 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.482 7.563 3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.199 6.190 2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.231 7.397 1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.479 7.676 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.301 6.599 4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.499 8.109 3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.652 8.117 5.254 1.00 0.00 H new ATOM 108 N THR A 8 -5.303 12.403 3.907 1.00 0.00 N ATOM 109 CA THR A 8 -5.538 13.793 3.445 1.00 0.00 C ATOM 110 C THR A 8 -4.746 14.851 4.285 1.00 0.00 C ATOM 111 O THR A 8 -4.044 15.660 3.681 1.00 0.00 O ATOM 112 CB THR A 8 -7.073 14.143 3.364 1.00 0.00 C ATOM 113 OG1 THR A 8 -7.719 13.259 2.438 1.00 0.00 O ATOM 114 CG2 THR A 8 -7.336 15.599 2.929 1.00 0.00 C ATOM 0 H THR A 8 -6.155 11.898 4.153 1.00 0.00 H new ATOM 0 HA THR A 8 -5.144 13.843 2.430 1.00 0.00 H new ATOM 0 HB THR A 8 -7.477 14.022 4.369 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.543 12.330 2.695 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.410 15.779 2.892 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.878 16.281 3.645 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.906 15.767 1.942 1.00 0.00 H new ATOM 122 N PRO A 9 -4.811 14.859 5.677 1.00 0.00 N ATOM 123 CA PRO A 9 -3.945 15.743 6.514 1.00 0.00 C ATOM 124 C PRO A 9 -2.426 15.501 6.312 1.00 0.00 C ATOM 125 O PRO A 9 -1.637 16.430 6.478 1.00 0.00 O ATOM 126 CB PRO A 9 -4.382 15.422 7.975 1.00 0.00 C ATOM 127 CG PRO A 9 -5.776 14.910 7.824 1.00 0.00 C ATOM 128 CD PRO A 9 -5.756 14.099 6.547 1.00 0.00 C ATOM 0 HA PRO A 9 -4.076 16.791 6.243 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.730 14.679 8.434 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.348 16.309 8.607 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -6.066 14.297 8.677 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.493 15.729 7.761 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.411 13.080 6.722 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.747 14.028 6.099 1.00 0.00 H new ATOM 136 N ILE A 10 -2.022 14.257 5.950 1.00 0.00 N ATOM 137 CA ILE A 10 -0.582 13.921 5.755 1.00 0.00 C ATOM 138 C ILE A 10 -0.055 14.598 4.477 1.00 0.00 C ATOM 139 O ILE A 10 1.044 15.158 4.465 1.00 0.00 O ATOM 140 CB ILE A 10 -0.300 12.369 5.660 1.00 0.00 C ATOM 141 CG1 ILE A 10 -1.103 11.568 6.732 1.00 0.00 C ATOM 142 CG2 ILE A 10 1.225 12.082 5.781 1.00 0.00 C ATOM 143 CD1 ILE A 10 -0.806 11.933 8.171 1.00 0.00 C ATOM 0 H ILE A 10 -2.660 13.478 5.788 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.064 14.290 6.640 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.640 12.031 4.681 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.167 11.716 6.550 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.900 10.506 6.595 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.400 11.008 5.713 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.756 12.587 4.974 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.589 12.449 6.740 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.415 11.320 8.835 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.249 11.757 8.381 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.038 12.985 8.335 1.00 0.00 H new ATOM 155 N PHE A 11 -0.875 14.548 3.411 1.00 0.00 N ATOM 156 CA PHE A 11 -0.589 15.232 2.138 1.00 0.00 C ATOM 157 C PHE A 11 -0.608 16.758 2.363 1.00 0.00 C ATOM 158 O PHE A 11 0.309 17.466 1.961 1.00 0.00 O ATOM 159 CB PHE A 11 -1.621 14.822 1.040 1.00 0.00 C ATOM 160 CG PHE A 11 -1.435 13.425 0.428 1.00 0.00 C ATOM 161 CD1 PHE A 11 -1.443 12.274 1.215 1.00 0.00 C ATOM 162 CD2 PHE A 11 -1.289 13.267 -0.954 1.00 0.00 C ATOM 163 CE1 PHE A 11 -1.303 11.018 0.647 1.00 0.00 C ATOM 164 CE2 PHE A 11 -1.147 12.014 -1.519 1.00 0.00 C ATOM 165 CZ PHE A 11 -1.159 10.890 -0.720 1.00 0.00 C ATOM 0 H PHE A 11 -1.755 14.032 3.409 1.00 0.00 H new ATOM 0 HA PHE A 11 0.399 14.933 1.788 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.621 14.878 1.470 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.578 15.557 0.237 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.560 12.363 2.285 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.287 14.139 -1.591 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.307 10.139 1.274 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.026 11.915 -2.588 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.056 9.911 -1.163 1.00 0.00 H new ATOM 175 N ARG A 12 -1.651 17.241 3.060 1.00 0.00 N ATOM 176 CA ARG A 12 -1.812 18.673 3.396 1.00 0.00 C ATOM 177 C ARG A 12 -0.683 19.185 4.320 1.00 0.00 C ATOM 178 O ARG A 12 -0.471 20.391 4.407 1.00 0.00 O ATOM 179 CB ARG A 12 -3.197 18.937 4.042 1.00 0.00 C ATOM 180 CG ARG A 12 -4.404 18.794 3.087 1.00 0.00 C ATOM 181 CD ARG A 12 -5.740 19.140 3.774 1.00 0.00 C ATOM 182 NE ARG A 12 -6.872 19.164 2.827 1.00 0.00 N ATOM 183 CZ ARG A 12 -8.170 19.210 3.172 1.00 0.00 C ATOM 184 NH1 ARG A 12 -8.538 19.174 4.449 1.00 0.00 N ATOM 185 NH2 ARG A 12 -9.093 19.275 2.225 1.00 0.00 N ATOM 0 H ARG A 12 -2.408 16.653 3.408 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.748 19.228 2.460 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.329 18.247 4.875 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.200 19.944 4.458 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.262 19.446 2.226 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.446 17.772 2.710 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.942 18.410 4.558 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.655 20.113 4.258 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.651 19.144 1.831 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.831 19.111 5.182 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.527 19.210 4.696 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.816 19.290 1.243 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.081 19.310 2.477 1.00 0.00 H new ATOM 199 N GLN A 13 0.004 18.270 5.032 1.00 0.00 N ATOM 200 CA GLN A 13 1.234 18.586 5.788 1.00 0.00 C ATOM 201 C GLN A 13 2.414 18.820 4.818 1.00 0.00 C ATOM 202 O GLN A 13 3.014 19.907 4.795 1.00 0.00 O ATOM 203 CB GLN A 13 1.579 17.415 6.762 1.00 0.00 C ATOM 204 CG GLN A 13 2.906 17.574 7.543 1.00 0.00 C ATOM 205 CD GLN A 13 3.391 16.279 8.205 1.00 0.00 C ATOM 206 OE1 GLN A 13 3.050 15.985 9.346 1.00 0.00 O ATOM 207 NE2 GLN A 13 4.186 15.492 7.489 1.00 0.00 N ATOM 0 H GLN A 13 -0.277 17.292 5.100 1.00 0.00 H new ATOM 0 HA GLN A 13 1.064 19.495 6.365 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.765 17.309 7.479 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.622 16.489 6.189 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.677 17.934 6.862 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.776 18.337 8.310 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.453 15.762 6.542 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.529 14.617 7.886 1.00 0.00 H new ATOM 216 N VAL A 14 2.712 17.771 4.015 1.00 0.00 N ATOM 217 CA VAL A 14 3.883 17.711 3.109 1.00 0.00 C ATOM 218 C VAL A 14 3.887 18.866 2.094 1.00 0.00 C ATOM 219 O VAL A 14 4.857 19.638 2.007 1.00 0.00 O ATOM 220 CB VAL A 14 3.920 16.320 2.357 1.00 0.00 C ATOM 221 CG1 VAL A 14 5.022 16.258 1.259 1.00 0.00 C ATOM 222 CG2 VAL A 14 4.088 15.169 3.373 1.00 0.00 C ATOM 0 H VAL A 14 2.136 16.930 3.978 1.00 0.00 H new ATOM 0 HA VAL A 14 4.778 17.814 3.723 1.00 0.00 H new ATOM 0 HB VAL A 14 2.966 16.207 1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.000 15.281 0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.839 17.034 0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.999 16.416 1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.112 14.217 2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.020 15.302 3.923 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.251 15.175 4.071 1.00 0.00 H new ATOM 232 N PHE A 15 2.779 18.994 1.364 1.00 0.00 N ATOM 233 CA PHE A 15 2.638 19.974 0.277 1.00 0.00 C ATOM 234 C PHE A 15 2.197 21.350 0.826 1.00 0.00 C ATOM 235 O PHE A 15 2.425 22.372 0.167 1.00 0.00 O ATOM 236 CB PHE A 15 1.614 19.456 -0.774 1.00 0.00 C ATOM 237 CG PHE A 15 1.924 18.054 -1.306 1.00 0.00 C ATOM 238 CD1 PHE A 15 2.961 17.836 -2.203 1.00 0.00 C ATOM 239 CD2 PHE A 15 1.186 16.950 -0.886 1.00 0.00 C ATOM 240 CE1 PHE A 15 3.238 16.564 -2.658 1.00 0.00 C ATOM 241 CE2 PHE A 15 1.470 15.680 -1.340 1.00 0.00 C ATOM 242 CZ PHE A 15 2.497 15.487 -2.227 1.00 0.00 C ATOM 0 H PHE A 15 1.948 18.420 1.507 1.00 0.00 H new ATOM 0 HA PHE A 15 3.609 20.099 -0.203 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.620 19.452 -0.327 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.584 20.153 -1.611 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.556 18.669 -2.547 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.373 17.092 -0.189 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.045 16.411 -3.360 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.885 14.839 -0.998 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.724 14.494 -2.586 1.00 0.00 H new ATOM 252 N ASP A 16 1.561 21.345 2.026 1.00 0.00 N ATOM 253 CA ASP A 16 1.020 22.550 2.702 1.00 0.00 C ATOM 254 C ASP A 16 -0.027 23.242 1.807 1.00 0.00 C ATOM 255 O ASP A 16 0.289 24.183 1.064 1.00 0.00 O ATOM 256 CB ASP A 16 2.146 23.527 3.141 1.00 0.00 C ATOM 257 CG ASP A 16 1.653 24.647 4.077 1.00 0.00 C ATOM 258 OD1 ASP A 16 1.641 24.435 5.317 1.00 0.00 O ATOM 259 OD2 ASP A 16 1.284 25.744 3.596 1.00 0.00 O ATOM 0 H ASP A 16 1.408 20.489 2.559 1.00 0.00 H new ATOM 0 HA ASP A 16 0.522 22.228 3.617 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.931 22.962 3.644 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.594 23.975 2.254 1.00 0.00 H new ATOM 264 N ASP A 17 -1.261 22.731 1.865 1.00 0.00 N ATOM 265 CA ASP A 17 -2.350 23.143 0.961 1.00 0.00 C ATOM 266 C ASP A 17 -3.716 22.737 1.555 1.00 0.00 C ATOM 267 O ASP A 17 -3.774 21.931 2.480 1.00 0.00 O ATOM 268 CB ASP A 17 -2.111 22.508 -0.446 1.00 0.00 C ATOM 269 CG ASP A 17 -3.175 22.874 -1.494 1.00 0.00 C ATOM 270 OD1 ASP A 17 -3.253 24.054 -1.888 1.00 0.00 O ATOM 271 OD2 ASP A 17 -3.963 21.996 -1.891 1.00 0.00 O ATOM 0 H ASP A 17 -1.538 22.018 2.540 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.358 24.227 0.850 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.134 22.822 -0.812 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.079 21.423 -0.342 1.00 0.00 H new ATOM 276 N ASP A 18 -4.810 23.279 0.992 1.00 0.00 N ATOM 277 CA ASP A 18 -6.186 23.074 1.503 1.00 0.00 C ATOM 278 C ASP A 18 -7.046 22.359 0.443 1.00 0.00 C ATOM 279 O ASP A 18 -8.016 21.668 0.774 1.00 0.00 O ATOM 280 CB ASP A 18 -6.830 24.427 1.916 1.00 0.00 C ATOM 281 CG ASP A 18 -6.921 25.443 0.759 1.00 0.00 C ATOM 282 OD1 ASP A 18 -5.920 26.143 0.502 1.00 0.00 O ATOM 283 OD2 ASP A 18 -7.983 25.530 0.095 1.00 0.00 O ATOM 0 H ASP A 18 -4.769 23.875 0.165 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.135 22.443 2.391 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.831 24.240 2.305 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.249 24.864 2.728 1.00 0.00 H new ATOM 288 N SER A 19 -6.648 22.504 -0.836 1.00 0.00 N ATOM 289 CA SER A 19 -7.400 21.989 -1.995 1.00 0.00 C ATOM 290 C SER A 19 -7.145 20.479 -2.209 1.00 0.00 C ATOM 291 O SER A 19 -7.812 19.847 -3.040 1.00 0.00 O ATOM 292 CB SER A 19 -7.010 22.801 -3.252 1.00 0.00 C ATOM 293 OG SER A 19 -7.159 24.197 -3.014 1.00 0.00 O ATOM 0 H SER A 19 -5.787 22.986 -1.095 1.00 0.00 H new ATOM 0 HA SER A 19 -8.467 22.107 -1.805 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.978 22.582 -3.527 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.635 22.501 -4.093 1.00 0.00 H new ATOM 0 HG SER A 19 -6.906 24.695 -3.819 1.00 0.00 H new ATOM 299 N ILE A 20 -6.172 19.906 -1.457 1.00 0.00 N ATOM 300 CA ILE A 20 -5.902 18.461 -1.465 1.00 0.00 C ATOM 301 C ILE A 20 -7.075 17.721 -0.803 1.00 0.00 C ATOM 302 O ILE A 20 -7.205 17.708 0.417 1.00 0.00 O ATOM 303 CB ILE A 20 -4.556 18.097 -0.729 1.00 0.00 C ATOM 304 CG1 ILE A 20 -3.337 18.806 -1.392 1.00 0.00 C ATOM 305 CG2 ILE A 20 -4.331 16.560 -0.685 1.00 0.00 C ATOM 306 CD1 ILE A 20 -2.015 18.609 -0.672 1.00 0.00 C ATOM 0 H ILE A 20 -5.561 20.435 -0.835 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.795 18.150 -2.504 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.643 18.457 0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.235 18.442 -2.414 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.545 19.874 -1.453 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.394 16.344 -0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.155 16.087 -0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.285 16.170 -1.702 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.227 19.139 -1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.091 19.000 0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.776 17.546 -0.634 1.00 0.00 H new ATOM 318 N VAL A 21 -7.965 17.184 -1.641 1.00 0.00 N ATOM 319 CA VAL A 21 -9.096 16.353 -1.216 1.00 0.00 C ATOM 320 C VAL A 21 -8.975 15.029 -1.979 1.00 0.00 C ATOM 321 O VAL A 21 -9.358 14.938 -3.157 1.00 0.00 O ATOM 322 CB VAL A 21 -10.482 17.053 -1.498 1.00 0.00 C ATOM 323 CG1 VAL A 21 -11.667 16.181 -1.009 1.00 0.00 C ATOM 324 CG2 VAL A 21 -10.527 18.461 -0.852 1.00 0.00 C ATOM 0 H VAL A 21 -7.920 17.316 -2.651 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.065 16.190 -0.139 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.583 17.168 -2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.606 16.693 -1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.652 15.223 -1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.577 16.013 0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.491 18.926 -1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.391 18.371 0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.730 19.078 -1.268 1.00 0.00 H new ATOM 334 N LEU A 22 -8.384 14.029 -1.313 1.00 0.00 N ATOM 335 CA LEU A 22 -7.941 12.783 -1.956 1.00 0.00 C ATOM 336 C LEU A 22 -9.118 11.960 -2.478 1.00 0.00 C ATOM 337 O LEU A 22 -10.134 11.815 -1.802 1.00 0.00 O ATOM 338 CB LEU A 22 -7.091 11.940 -0.976 1.00 0.00 C ATOM 339 CG LEU A 22 -5.766 12.612 -0.508 1.00 0.00 C ATOM 340 CD1 LEU A 22 -5.007 11.704 0.472 1.00 0.00 C ATOM 341 CD2 LEU A 22 -4.875 13.010 -1.710 1.00 0.00 C ATOM 0 H LEU A 22 -8.199 14.060 -0.310 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.327 13.061 -2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.695 11.712 -0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.850 10.990 -1.452 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.028 13.530 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.086 12.195 0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.629 11.511 1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.767 10.760 -0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.959 13.476 -1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.624 12.120 -2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.413 13.715 -2.344 1.00 0.00 H new ATOM 353 N THR A 23 -8.950 11.436 -3.693 1.00 0.00 N ATOM 354 CA THR A 23 -9.908 10.547 -4.346 1.00 0.00 C ATOM 355 C THR A 23 -9.127 9.367 -4.951 1.00 0.00 C ATOM 356 O THR A 23 -7.882 9.367 -4.945 1.00 0.00 O ATOM 357 CB THR A 23 -10.750 11.287 -5.448 1.00 0.00 C ATOM 358 OG1 THR A 23 -9.887 11.855 -6.436 1.00 0.00 O ATOM 359 CG2 THR A 23 -11.649 12.393 -4.865 1.00 0.00 C ATOM 0 H THR A 23 -8.125 11.623 -4.262 1.00 0.00 H new ATOM 0 HA THR A 23 -10.625 10.190 -3.607 1.00 0.00 H new ATOM 0 HB THR A 23 -11.397 10.536 -5.901 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.965 11.855 -6.104 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.207 12.870 -5.670 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.346 11.956 -4.150 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.031 13.137 -4.362 1.00 0.00 H new ATOM 367 N ARG A 24 -9.853 8.375 -5.460 1.00 0.00 N ATOM 368 CA ARG A 24 -9.262 7.126 -5.965 1.00 0.00 C ATOM 369 C ARG A 24 -8.318 7.341 -7.166 1.00 0.00 C ATOM 370 O ARG A 24 -7.255 6.740 -7.216 1.00 0.00 O ATOM 371 CB ARG A 24 -10.384 6.115 -6.313 1.00 0.00 C ATOM 372 CG ARG A 24 -11.150 5.572 -5.084 1.00 0.00 C ATOM 373 CD ARG A 24 -12.166 4.476 -5.452 1.00 0.00 C ATOM 374 NE ARG A 24 -11.513 3.340 -6.129 1.00 0.00 N ATOM 375 CZ ARG A 24 -12.093 2.523 -7.017 1.00 0.00 C ATOM 376 NH1 ARG A 24 -13.354 2.709 -7.398 1.00 0.00 N ATOM 377 NH2 ARG A 24 -11.388 1.543 -7.550 1.00 0.00 N ATOM 0 H ARG A 24 -10.870 8.409 -5.537 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.641 6.720 -5.167 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.094 6.595 -6.987 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.947 5.276 -6.855 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.436 5.172 -4.364 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.671 6.394 -4.594 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.667 4.124 -4.550 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.935 4.894 -6.101 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.535 3.161 -5.901 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.894 3.484 -7.013 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.781 2.077 -8.076 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.412 1.414 -7.284 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.819 0.914 -8.228 1.00 0.00 H new ATOM 391 N GLU A 25 -8.695 8.207 -8.112 1.00 0.00 N ATOM 392 CA GLU A 25 -7.924 8.402 -9.362 1.00 0.00 C ATOM 393 C GLU A 25 -6.858 9.521 -9.244 1.00 0.00 C ATOM 394 O GLU A 25 -6.138 9.777 -10.217 1.00 0.00 O ATOM 395 CB GLU A 25 -8.894 8.674 -10.541 1.00 0.00 C ATOM 396 CG GLU A 25 -9.904 7.533 -10.801 1.00 0.00 C ATOM 397 CD GLU A 25 -10.881 7.828 -11.954 1.00 0.00 C ATOM 398 OE1 GLU A 25 -10.502 7.633 -13.129 1.00 0.00 O ATOM 399 OE2 GLU A 25 -12.031 8.257 -11.693 1.00 0.00 O ATOM 0 H GLU A 25 -9.530 8.789 -8.043 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.373 7.481 -9.554 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.444 9.593 -10.341 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.311 8.842 -11.446 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.356 6.618 -11.025 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.474 7.349 -9.890 1.00 0.00 H new ATOM 406 N THR A 26 -6.748 10.162 -8.056 1.00 0.00 N ATOM 407 CA THR A 26 -5.756 11.237 -7.795 1.00 0.00 C ATOM 408 C THR A 26 -4.302 10.756 -8.027 1.00 0.00 C ATOM 409 O THR A 26 -3.715 10.090 -7.179 1.00 0.00 O ATOM 410 CB THR A 26 -5.898 11.790 -6.336 1.00 0.00 C ATOM 411 OG1 THR A 26 -7.211 12.315 -6.140 1.00 0.00 O ATOM 412 CG2 THR A 26 -4.862 12.885 -6.015 1.00 0.00 C ATOM 0 H THR A 26 -7.341 9.951 -7.253 1.00 0.00 H new ATOM 0 HA THR A 26 -5.968 12.036 -8.506 1.00 0.00 H new ATOM 0 HB THR A 26 -5.717 10.954 -5.661 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.178 13.043 -5.484 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.005 13.233 -4.992 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.857 12.477 -6.122 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.990 13.720 -6.704 1.00 0.00 H new ATOM 420 N SER A 27 -3.749 11.075 -9.196 1.00 0.00 N ATOM 421 CA SER A 27 -2.365 10.724 -9.556 1.00 0.00 C ATOM 422 C SER A 27 -1.407 11.887 -9.249 1.00 0.00 C ATOM 423 O SER A 27 -1.830 12.988 -8.869 1.00 0.00 O ATOM 424 CB SER A 27 -2.303 10.364 -11.056 1.00 0.00 C ATOM 425 OG SER A 27 -2.732 11.448 -11.863 1.00 0.00 O ATOM 0 H SER A 27 -4.245 11.586 -9.926 1.00 0.00 H new ATOM 0 HA SER A 27 -2.053 9.865 -8.961 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.283 10.089 -11.325 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.929 9.493 -11.250 1.00 0.00 H new ATOM 0 HG SER A 27 -2.987 11.116 -12.749 1.00 0.00 H new ATOM 431 N ALA A 28 -0.106 11.613 -9.397 1.00 0.00 N ATOM 432 CA ALA A 28 0.944 12.649 -9.424 1.00 0.00 C ATOM 433 C ALA A 28 0.739 13.661 -10.575 1.00 0.00 C ATOM 434 O ALA A 28 1.258 14.776 -10.530 1.00 0.00 O ATOM 435 CB ALA A 28 2.304 11.967 -9.543 1.00 0.00 C ATOM 0 H ALA A 28 0.254 10.664 -9.502 1.00 0.00 H new ATOM 0 HA ALA A 28 0.890 13.219 -8.497 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.089 12.723 -9.564 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.457 11.308 -8.688 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.339 11.382 -10.462 1.00 0.00 H new ATOM 441 N ASN A 29 0.001 13.236 -11.615 1.00 0.00 N ATOM 442 CA ASN A 29 -0.368 14.093 -12.755 1.00 0.00 C ATOM 443 C ASN A 29 -1.554 15.017 -12.369 1.00 0.00 C ATOM 444 O ASN A 29 -1.667 16.138 -12.873 1.00 0.00 O ATOM 445 CB ASN A 29 -0.723 13.205 -13.976 1.00 0.00 C ATOM 446 CG ASN A 29 -1.013 13.990 -15.263 1.00 0.00 C ATOM 447 OD1 ASN A 29 -0.106 14.278 -16.040 1.00 0.00 O ATOM 448 ND2 ASN A 29 -2.275 14.328 -15.497 1.00 0.00 N ATOM 0 H ASN A 29 -0.358 12.284 -11.689 1.00 0.00 H new ATOM 0 HA ASN A 29 0.476 14.729 -13.022 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.101 12.516 -14.162 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.595 12.599 -13.729 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.516 14.843 -16.344 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.003 14.073 -14.830 1.00 0.00 H new ATOM 455 N ASP A 30 -2.431 14.519 -11.464 1.00 0.00 N ATOM 456 CA ASP A 30 -3.605 15.264 -10.951 1.00 0.00 C ATOM 457 C ASP A 30 -3.170 16.422 -10.026 1.00 0.00 C ATOM 458 O ASP A 30 -3.824 17.472 -9.977 1.00 0.00 O ATOM 459 CB ASP A 30 -4.553 14.284 -10.202 1.00 0.00 C ATOM 460 CG ASP A 30 -5.803 14.958 -9.605 1.00 0.00 C ATOM 461 OD1 ASP A 30 -6.784 15.177 -10.353 1.00 0.00 O ATOM 462 OD2 ASP A 30 -5.820 15.266 -8.388 1.00 0.00 O ATOM 0 H ASP A 30 -2.343 13.583 -11.067 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.138 15.704 -11.794 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.869 13.501 -10.892 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.997 13.797 -9.401 1.00 0.00 H new ATOM 467 N ILE A 31 -2.029 16.235 -9.334 1.00 0.00 N ATOM 468 CA ILE A 31 -1.476 17.222 -8.383 1.00 0.00 C ATOM 469 C ILE A 31 -0.107 17.672 -8.917 1.00 0.00 C ATOM 470 O ILE A 31 0.859 16.902 -8.888 1.00 0.00 O ATOM 471 CB ILE A 31 -1.313 16.632 -6.921 1.00 0.00 C ATOM 472 CG1 ILE A 31 -2.666 16.079 -6.379 1.00 0.00 C ATOM 473 CG2 ILE A 31 -0.723 17.698 -5.951 1.00 0.00 C ATOM 474 CD1 ILE A 31 -2.613 15.520 -4.958 1.00 0.00 C ATOM 0 H ILE A 31 -1.462 15.392 -9.419 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.170 18.059 -8.306 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.611 15.800 -6.978 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.407 16.878 -6.411 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.015 15.294 -7.049 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.622 17.267 -4.955 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.256 18.015 -6.311 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.390 18.559 -5.908 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.601 15.160 -4.671 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.901 14.696 -4.918 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.299 16.305 -4.270 1.00 0.00 H new ATOM 486 N ASP A 32 -0.042 18.919 -9.429 1.00 0.00 N ATOM 487 CA ASP A 32 1.203 19.508 -9.981 1.00 0.00 C ATOM 488 C ASP A 32 2.301 19.565 -8.905 1.00 0.00 C ATOM 489 O ASP A 32 3.483 19.333 -9.188 1.00 0.00 O ATOM 490 CB ASP A 32 0.942 20.930 -10.553 1.00 0.00 C ATOM 491 CG ASP A 32 2.196 21.563 -11.210 1.00 0.00 C ATOM 492 OD1 ASP A 32 2.491 21.243 -12.390 1.00 0.00 O ATOM 493 OD2 ASP A 32 2.900 22.369 -10.547 1.00 0.00 O ATOM 0 H ASP A 32 -0.845 19.546 -9.473 1.00 0.00 H new ATOM 0 HA ASP A 32 1.542 18.867 -10.795 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.141 20.877 -11.290 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.593 21.579 -9.750 1.00 0.00 H new ATOM 498 N ALA A 33 1.880 19.852 -7.668 1.00 0.00 N ATOM 499 CA ALA A 33 2.768 19.949 -6.495 1.00 0.00 C ATOM 500 C ALA A 33 3.424 18.597 -6.122 1.00 0.00 C ATOM 501 O ALA A 33 4.405 18.571 -5.373 1.00 0.00 O ATOM 502 CB ALA A 33 1.973 20.499 -5.308 1.00 0.00 C ATOM 0 H ALA A 33 0.900 20.027 -7.446 1.00 0.00 H new ATOM 0 HA ALA A 33 3.583 20.626 -6.753 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.624 20.573 -4.437 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.585 21.487 -5.556 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.143 19.829 -5.084 1.00 0.00 H new ATOM 508 N TRP A 34 2.875 17.483 -6.634 1.00 0.00 N ATOM 509 CA TRP A 34 3.347 16.128 -6.312 1.00 0.00 C ATOM 510 C TRP A 34 4.422 15.673 -7.332 1.00 0.00 C ATOM 511 O TRP A 34 4.222 14.716 -8.101 1.00 0.00 O ATOM 512 CB TRP A 34 2.120 15.172 -6.271 1.00 0.00 C ATOM 513 CG TRP A 34 2.318 13.854 -5.553 1.00 0.00 C ATOM 514 CD1 TRP A 34 3.444 13.384 -4.927 1.00 0.00 C ATOM 515 CD2 TRP A 34 1.319 12.849 -5.376 1.00 0.00 C ATOM 516 NE1 TRP A 34 3.197 12.151 -4.389 1.00 0.00 N ATOM 517 CE2 TRP A 34 1.902 11.801 -4.645 1.00 0.00 C ATOM 518 CE3 TRP A 34 -0.013 12.736 -5.772 1.00 0.00 C ATOM 519 CZ2 TRP A 34 1.206 10.651 -4.303 1.00 0.00 C ATOM 520 CZ3 TRP A 34 -0.707 11.599 -5.434 1.00 0.00 C ATOM 521 CH2 TRP A 34 -0.098 10.568 -4.704 1.00 0.00 C ATOM 0 H TRP A 34 2.089 17.498 -7.284 1.00 0.00 H new ATOM 0 HA TRP A 34 3.826 16.112 -5.333 1.00 0.00 H new ATOM 0 HB2 TRP A 34 1.292 15.699 -5.796 1.00 0.00 H new ATOM 0 HB3 TRP A 34 1.817 14.960 -7.296 1.00 0.00 H new ATOM 0 HD1 TRP A 34 4.386 13.909 -4.868 1.00 0.00 H new ATOM 0 HE1 TRP A 34 3.873 11.583 -3.878 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.490 13.526 -6.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 1.675 9.855 -3.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -1.739 11.498 -5.736 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.672 9.689 -4.453 1.00 0.00 H new ATOM 532 N ASP A 35 5.557 16.402 -7.337 1.00 0.00 N ATOM 533 CA ASP A 35 6.769 16.038 -8.118 1.00 0.00 C ATOM 534 C ASP A 35 7.480 14.829 -7.488 1.00 0.00 C ATOM 535 O ASP A 35 7.205 14.501 -6.338 1.00 0.00 O ATOM 536 CB ASP A 35 7.747 17.242 -8.177 1.00 0.00 C ATOM 537 CG ASP A 35 7.228 18.379 -9.069 1.00 0.00 C ATOM 538 OD1 ASP A 35 6.515 19.272 -8.568 1.00 0.00 O ATOM 539 OD2 ASP A 35 7.530 18.378 -10.287 1.00 0.00 O ATOM 0 H ASP A 35 5.664 17.263 -6.800 1.00 0.00 H new ATOM 0 HA ASP A 35 6.456 15.774 -9.128 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.911 17.622 -7.169 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.713 16.903 -8.551 1.00 0.00 H new ATOM 544 N SER A 36 8.383 14.173 -8.255 1.00 0.00 N ATOM 545 CA SER A 36 9.215 13.018 -7.791 1.00 0.00 C ATOM 546 C SER A 36 9.861 13.274 -6.404 1.00 0.00 C ATOM 547 O SER A 36 9.918 12.390 -5.542 1.00 0.00 O ATOM 548 CB SER A 36 10.342 12.745 -8.819 1.00 0.00 C ATOM 549 OG SER A 36 9.876 12.824 -10.177 1.00 0.00 O ATOM 0 H SER A 36 8.562 14.428 -9.226 1.00 0.00 H new ATOM 0 HA SER A 36 8.550 12.159 -7.701 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.147 13.465 -8.671 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.762 11.756 -8.639 1.00 0.00 H new ATOM 0 HG SER A 36 10.620 12.647 -10.789 1.00 0.00 H new ATOM 554 N LEU A 37 10.327 14.513 -6.243 1.00 0.00 N ATOM 555 CA LEU A 37 10.969 15.012 -5.019 1.00 0.00 C ATOM 556 C LEU A 37 9.952 15.008 -3.856 1.00 0.00 C ATOM 557 O LEU A 37 10.241 14.545 -2.747 1.00 0.00 O ATOM 558 CB LEU A 37 11.525 16.454 -5.238 1.00 0.00 C ATOM 559 CG LEU A 37 12.604 16.676 -6.357 1.00 0.00 C ATOM 560 CD1 LEU A 37 13.769 15.676 -6.227 1.00 0.00 C ATOM 561 CD2 LEU A 37 11.994 16.667 -7.781 1.00 0.00 C ATOM 0 H LEU A 37 10.268 15.218 -6.978 1.00 0.00 H new ATOM 0 HA LEU A 37 11.803 14.356 -4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 37 10.680 17.106 -5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 37 11.951 16.792 -4.294 1.00 0.00 H new ATOM 0 HG LEU A 37 13.012 17.675 -6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.496 15.860 -7.018 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.249 15.801 -5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.387 14.659 -6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.783 16.825 -8.516 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.514 15.706 -7.965 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.255 17.464 -7.865 1.00 0.00 H new ATOM 573 N SER A 38 8.745 15.493 -4.168 1.00 0.00 N ATOM 574 CA SER A 38 7.633 15.612 -3.217 1.00 0.00 C ATOM 575 C SER A 38 7.073 14.226 -2.817 1.00 0.00 C ATOM 576 O SER A 38 6.552 14.078 -1.713 1.00 0.00 O ATOM 577 CB SER A 38 6.548 16.495 -3.851 1.00 0.00 C ATOM 578 OG SER A 38 7.095 17.720 -4.317 1.00 0.00 O ATOM 0 H SER A 38 8.509 15.820 -5.105 1.00 0.00 H new ATOM 0 HA SER A 38 7.990 16.073 -2.296 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.080 15.963 -4.680 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.766 16.697 -3.119 1.00 0.00 H new ATOM 0 HG SER A 38 6.391 18.251 -4.745 1.00 0.00 H new ATOM 584 N HIS A 39 7.190 13.229 -3.736 1.00 0.00 N ATOM 585 CA HIS A 39 6.856 11.808 -3.451 1.00 0.00 C ATOM 586 C HIS A 39 7.712 11.276 -2.306 1.00 0.00 C ATOM 587 O HIS A 39 7.200 10.637 -1.399 1.00 0.00 O ATOM 588 CB HIS A 39 7.066 10.883 -4.687 1.00 0.00 C ATOM 589 CG HIS A 39 5.994 10.973 -5.721 1.00 0.00 C ATOM 590 ND1 HIS A 39 4.909 10.139 -5.695 1.00 0.00 N ATOM 591 CD2 HIS A 39 5.900 11.783 -6.787 1.00 0.00 C ATOM 592 CE1 HIS A 39 4.196 10.461 -6.750 1.00 0.00 C ATOM 593 NE2 HIS A 39 4.752 11.463 -7.437 1.00 0.00 N ATOM 0 H HIS A 39 7.517 13.387 -4.689 1.00 0.00 H new ATOM 0 HA HIS A 39 5.800 11.793 -3.182 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.021 11.130 -5.151 1.00 0.00 H new ATOM 0 HB3 HIS A 39 7.136 9.851 -4.344 1.00 0.00 H new ATOM 0 HD1 HIS A 39 4.699 9.420 -5.003 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.607 12.548 -7.074 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.273 9.975 -7.028 1.00 0.00 H new ATOM 601 N MET A 40 9.024 11.549 -2.374 1.00 0.00 N ATOM 602 CA MET A 40 9.991 11.056 -1.380 1.00 0.00 C ATOM 603 C MET A 40 9.617 11.536 0.035 1.00 0.00 C ATOM 604 O MET A 40 9.573 10.736 0.974 1.00 0.00 O ATOM 605 CB MET A 40 11.430 11.493 -1.762 1.00 0.00 C ATOM 606 CG MET A 40 11.914 10.918 -3.100 1.00 0.00 C ATOM 607 SD MET A 40 11.765 9.116 -3.186 1.00 0.00 S ATOM 608 CE MET A 40 12.820 8.561 -1.834 1.00 0.00 C ATOM 0 H MET A 40 9.443 12.113 -3.113 1.00 0.00 H new ATOM 0 HA MET A 40 9.959 9.966 -1.377 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.469 12.581 -1.809 1.00 0.00 H new ATOM 0 HB3 MET A 40 12.116 11.183 -0.974 1.00 0.00 H new ATOM 0 HG2 MET A 40 11.339 11.364 -3.911 1.00 0.00 H new ATOM 0 HG3 MET A 40 12.956 11.199 -3.255 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.908 7.475 -1.864 1.00 0.00 H new ATOM 0 HE2 MET A 40 13.809 9.008 -1.937 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.382 8.863 -0.883 1.00 0.00 H new ATOM 618 N ASN A 41 9.282 12.836 0.147 1.00 0.00 N ATOM 619 CA ASN A 41 8.830 13.457 1.417 1.00 0.00 C ATOM 620 C ASN A 41 7.458 12.911 1.853 1.00 0.00 C ATOM 621 O ASN A 41 7.231 12.674 3.039 1.00 0.00 O ATOM 622 CB ASN A 41 8.769 15.000 1.290 1.00 0.00 C ATOM 623 CG ASN A 41 10.151 15.626 1.121 1.00 0.00 C ATOM 624 OD1 ASN A 41 10.821 15.960 2.100 1.00 0.00 O ATOM 625 ND2 ASN A 41 10.599 15.769 -0.118 1.00 0.00 N ATOM 0 H ASN A 41 9.315 13.488 -0.636 1.00 0.00 H new ATOM 0 HA ASN A 41 9.562 13.197 2.182 1.00 0.00 H new ATOM 0 HB2 ASN A 41 8.146 15.267 0.437 1.00 0.00 H new ATOM 0 HB3 ASN A 41 8.291 15.416 2.177 1.00 0.00 H new ATOM 0 HD21 ASN A 41 11.524 16.166 -0.283 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.019 15.482 -0.906 1.00 0.00 H new ATOM 632 N LEU A 42 6.562 12.696 0.873 1.00 0.00 N ATOM 633 CA LEU A 42 5.182 12.220 1.113 1.00 0.00 C ATOM 634 C LEU A 42 5.185 10.799 1.723 1.00 0.00 C ATOM 635 O LEU A 42 4.564 10.559 2.761 1.00 0.00 O ATOM 636 CB LEU A 42 4.370 12.293 -0.231 1.00 0.00 C ATOM 637 CG LEU A 42 2.819 12.045 -0.187 1.00 0.00 C ATOM 638 CD1 LEU A 42 2.449 10.546 -0.218 1.00 0.00 C ATOM 639 CD2 LEU A 42 2.176 12.759 1.022 1.00 0.00 C ATOM 0 H LEU A 42 6.773 12.847 -0.113 1.00 0.00 H new ATOM 0 HA LEU A 42 4.692 12.865 1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.535 13.279 -0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.802 11.566 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 42 2.408 12.480 -1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.365 10.438 -0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.831 10.096 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.890 10.045 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.102 12.570 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.616 12.380 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.355 13.832 0.949 1.00 0.00 H new ATOM 651 N ILE A 43 5.926 9.887 1.080 1.00 0.00 N ATOM 652 CA ILE A 43 5.998 8.468 1.465 1.00 0.00 C ATOM 653 C ILE A 43 6.653 8.314 2.852 1.00 0.00 C ATOM 654 O ILE A 43 6.111 7.608 3.700 1.00 0.00 O ATOM 655 CB ILE A 43 6.735 7.597 0.350 1.00 0.00 C ATOM 656 CG1 ILE A 43 5.748 7.164 -0.800 1.00 0.00 C ATOM 657 CG2 ILE A 43 7.455 6.345 0.929 1.00 0.00 C ATOM 658 CD1 ILE A 43 5.093 8.281 -1.587 1.00 0.00 C ATOM 0 H ILE A 43 6.500 10.115 0.268 1.00 0.00 H new ATOM 0 HA ILE A 43 4.981 8.082 1.539 1.00 0.00 H new ATOM 0 HB ILE A 43 7.501 8.250 -0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.295 6.531 -1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.962 6.550 -0.361 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.936 5.796 0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.208 6.660 1.652 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.726 5.701 1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.438 7.855 -2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.507 8.906 -0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.861 8.887 -2.068 1.00 0.00 H new ATOM 670 N VAL A 44 7.781 9.016 3.103 1.00 0.00 N ATOM 671 CA VAL A 44 8.477 8.920 4.401 1.00 0.00 C ATOM 672 C VAL A 44 7.649 9.551 5.546 1.00 0.00 C ATOM 673 O VAL A 44 7.801 9.167 6.707 1.00 0.00 O ATOM 674 CB VAL A 44 9.921 9.531 4.365 1.00 0.00 C ATOM 675 CG1 VAL A 44 10.823 8.800 3.340 1.00 0.00 C ATOM 676 CG2 VAL A 44 9.903 11.051 4.108 1.00 0.00 C ATOM 0 H VAL A 44 8.222 9.646 2.433 1.00 0.00 H new ATOM 0 HA VAL A 44 8.583 7.854 4.602 1.00 0.00 H new ATOM 0 HB VAL A 44 10.351 9.378 5.355 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.816 9.250 3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.902 7.747 3.610 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.387 8.887 2.345 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.925 11.429 4.092 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.426 11.252 3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.345 11.548 4.902 1.00 0.00 H new ATOM 686 N SER A 45 6.769 10.518 5.199 1.00 0.00 N ATOM 687 CA SER A 45 5.778 11.076 6.144 1.00 0.00 C ATOM 688 C SER A 45 4.704 10.030 6.498 1.00 0.00 C ATOM 689 O SER A 45 4.287 9.943 7.654 1.00 0.00 O ATOM 690 CB SER A 45 5.130 12.360 5.586 1.00 0.00 C ATOM 691 OG SER A 45 6.069 13.424 5.525 1.00 0.00 O ATOM 0 H SER A 45 6.726 10.929 4.266 1.00 0.00 H new ATOM 0 HA SER A 45 6.308 11.342 7.058 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.731 12.166 4.590 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.289 12.649 6.216 1.00 0.00 H new ATOM 0 HG SER A 45 6.588 13.356 4.696 1.00 0.00 H new ATOM 697 N LEU A 46 4.275 9.227 5.508 1.00 0.00 N ATOM 698 CA LEU A 46 3.343 8.107 5.745 1.00 0.00 C ATOM 699 C LEU A 46 4.005 7.063 6.678 1.00 0.00 C ATOM 700 O LEU A 46 3.349 6.479 7.544 1.00 0.00 O ATOM 701 CB LEU A 46 2.924 7.433 4.408 1.00 0.00 C ATOM 702 CG LEU A 46 2.253 8.340 3.325 1.00 0.00 C ATOM 703 CD1 LEU A 46 1.977 7.551 2.023 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.966 8.988 3.856 1.00 0.00 C ATOM 0 H LEU A 46 4.559 9.332 4.534 1.00 0.00 H new ATOM 0 HA LEU A 46 2.446 8.504 6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.812 6.981 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.235 6.621 4.641 1.00 0.00 H new ATOM 0 HG LEU A 46 2.956 9.139 3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.510 8.210 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.916 7.170 1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.309 6.717 2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.525 9.612 3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.258 8.210 4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.200 9.603 4.725 1.00 0.00 H new ATOM 716 N GLU A 47 5.325 6.866 6.491 1.00 0.00 N ATOM 717 CA GLU A 47 6.117 5.887 7.255 1.00 0.00 C ATOM 718 C GLU A 47 6.247 6.291 8.733 1.00 0.00 C ATOM 719 O GLU A 47 6.010 5.468 9.614 1.00 0.00 O ATOM 720 CB GLU A 47 7.522 5.685 6.620 1.00 0.00 C ATOM 721 CG GLU A 47 7.486 5.164 5.171 1.00 0.00 C ATOM 722 CD GLU A 47 8.863 4.753 4.619 1.00 0.00 C ATOM 723 OE1 GLU A 47 9.681 5.641 4.296 1.00 0.00 O ATOM 724 OE2 GLU A 47 9.144 3.536 4.529 1.00 0.00 O ATOM 0 H GLU A 47 5.872 7.384 5.803 1.00 0.00 H new ATOM 0 HA GLU A 47 5.581 4.939 7.214 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.059 6.634 6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.089 4.985 7.233 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.815 4.306 5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.064 5.937 4.528 1.00 0.00 H new ATOM 731 N VAL A 48 6.631 7.554 9.001 1.00 0.00 N ATOM 732 CA VAL A 48 6.839 8.033 10.383 1.00 0.00 C ATOM 733 C VAL A 48 5.508 8.186 11.158 1.00 0.00 C ATOM 734 O VAL A 48 5.460 7.909 12.360 1.00 0.00 O ATOM 735 CB VAL A 48 7.656 9.372 10.436 1.00 0.00 C ATOM 736 CG1 VAL A 48 9.103 9.170 9.920 1.00 0.00 C ATOM 737 CG2 VAL A 48 6.953 10.522 9.671 1.00 0.00 C ATOM 0 H VAL A 48 6.803 8.258 8.284 1.00 0.00 H new ATOM 0 HA VAL A 48 7.430 7.261 10.876 1.00 0.00 H new ATOM 0 HB VAL A 48 7.705 9.666 11.484 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.642 10.116 9.970 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.610 8.430 10.539 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.076 8.822 8.888 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.558 11.426 9.737 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.832 10.242 8.624 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.974 10.707 10.112 1.00 0.00 H new ATOM 747 N HIS A 49 4.441 8.655 10.468 1.00 0.00 N ATOM 748 CA HIS A 49 3.098 8.803 11.076 1.00 0.00 C ATOM 749 C HIS A 49 2.500 7.437 11.474 1.00 0.00 C ATOM 750 O HIS A 49 2.193 7.215 12.644 1.00 0.00 O ATOM 751 CB HIS A 49 2.122 9.567 10.126 1.00 0.00 C ATOM 752 CG HIS A 49 2.242 11.075 10.170 1.00 0.00 C ATOM 753 ND1 HIS A 49 1.332 11.885 10.822 1.00 0.00 N ATOM 754 CD2 HIS A 49 3.155 11.915 9.635 1.00 0.00 C ATOM 755 CE1 HIS A 49 1.678 13.145 10.681 1.00 0.00 C ATOM 756 NE2 HIS A 49 2.782 13.193 9.965 1.00 0.00 N ATOM 0 H HIS A 49 4.485 8.937 9.489 1.00 0.00 H new ATOM 0 HA HIS A 49 3.224 9.394 11.983 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.297 9.233 9.103 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.099 9.291 10.381 1.00 0.00 H new ATOM 0 HD2 HIS A 49 4.020 11.632 9.054 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.148 13.995 11.083 1.00 0.00 H new ATOM 0 HE2 HIS A 49 3.279 14.043 9.699 1.00 0.00 H new ATOM 765 N TYR A 50 2.353 6.526 10.495 1.00 0.00 N ATOM 766 CA TYR A 50 1.632 5.241 10.686 1.00 0.00 C ATOM 767 C TYR A 50 2.568 4.105 11.160 1.00 0.00 C ATOM 768 O TYR A 50 2.092 2.996 11.463 1.00 0.00 O ATOM 769 CB TYR A 50 0.919 4.842 9.368 1.00 0.00 C ATOM 770 CG TYR A 50 -0.109 5.881 8.885 1.00 0.00 C ATOM 771 CD1 TYR A 50 -1.439 5.840 9.316 1.00 0.00 C ATOM 772 CD2 TYR A 50 0.258 6.915 8.020 1.00 0.00 C ATOM 773 CE1 TYR A 50 -2.353 6.790 8.904 1.00 0.00 C ATOM 774 CE2 TYR A 50 -0.656 7.860 7.605 1.00 0.00 C ATOM 775 CZ TYR A 50 -1.954 7.795 8.050 1.00 0.00 C ATOM 776 OH TYR A 50 -2.855 8.747 7.653 1.00 0.00 O ATOM 0 H TYR A 50 2.725 6.652 9.554 1.00 0.00 H new ATOM 0 HA TYR A 50 0.893 5.390 11.473 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.668 4.695 8.590 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.416 3.885 9.512 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.757 5.052 9.983 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.278 6.975 7.670 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.375 6.745 9.249 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.353 8.649 6.932 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.621 9.608 8.058 1.00 0.00 H new ATOM 786 N LYS A 51 3.886 4.402 11.243 1.00 0.00 N ATOM 787 CA LYS A 51 4.949 3.418 11.575 1.00 0.00 C ATOM 788 C LYS A 51 4.887 2.211 10.618 1.00 0.00 C ATOM 789 O LYS A 51 4.925 1.054 11.041 1.00 0.00 O ATOM 790 CB LYS A 51 4.935 3.003 13.085 1.00 0.00 C ATOM 791 CG LYS A 51 5.322 4.132 14.084 1.00 0.00 C ATOM 792 CD LYS A 51 4.194 5.163 14.325 1.00 0.00 C ATOM 793 CE LYS A 51 4.655 6.377 15.150 1.00 0.00 C ATOM 794 NZ LYS A 51 5.254 5.990 16.456 1.00 0.00 N ATOM 0 H LYS A 51 4.248 5.342 11.080 1.00 0.00 H new ATOM 0 HA LYS A 51 5.913 3.904 11.424 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.938 2.642 13.337 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.621 2.167 13.222 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.600 3.682 15.037 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.203 4.652 13.707 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.813 5.508 13.364 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.366 4.674 14.839 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.385 6.946 14.574 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.804 7.036 15.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.485 6.846 16.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.575 5.412 16.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.121 5.440 16.291 1.00 0.00 H new ATOM 808 N ILE A 52 4.784 2.515 9.311 1.00 0.00 N ATOM 809 CA ILE A 52 4.657 1.507 8.236 1.00 0.00 C ATOM 810 C ILE A 52 5.892 1.564 7.321 1.00 0.00 C ATOM 811 O ILE A 52 6.574 2.589 7.255 1.00 0.00 O ATOM 812 CB ILE A 52 3.338 1.715 7.398 1.00 0.00 C ATOM 813 CG1 ILE A 52 3.275 3.145 6.765 1.00 0.00 C ATOM 814 CG2 ILE A 52 2.099 1.449 8.278 1.00 0.00 C ATOM 815 CD1 ILE A 52 1.992 3.453 5.998 1.00 0.00 C ATOM 0 H ILE A 52 4.786 3.475 8.966 1.00 0.00 H new ATOM 0 HA ILE A 52 4.597 0.522 8.699 1.00 0.00 H new ATOM 0 HB ILE A 52 3.346 0.998 6.577 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.393 3.883 7.558 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.122 3.265 6.090 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.195 1.596 7.687 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.128 0.424 8.647 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.097 2.139 9.122 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.042 4.465 5.597 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.879 2.743 5.179 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.138 3.371 6.670 1.00 0.00 H new ATOM 827 N LYS A 53 6.167 0.456 6.626 1.00 0.00 N ATOM 828 CA LYS A 53 7.354 0.295 5.762 1.00 0.00 C ATOM 829 C LYS A 53 6.888 0.226 4.300 1.00 0.00 C ATOM 830 O LYS A 53 6.164 -0.699 3.934 1.00 0.00 O ATOM 831 CB LYS A 53 8.115 -1.017 6.182 1.00 0.00 C ATOM 832 CG LYS A 53 9.566 -1.215 5.638 1.00 0.00 C ATOM 833 CD LYS A 53 9.674 -1.526 4.115 1.00 0.00 C ATOM 834 CE LYS A 53 8.963 -2.825 3.687 1.00 0.00 C ATOM 835 NZ LYS A 53 9.574 -4.029 4.306 1.00 0.00 N ATOM 0 H LYS A 53 5.567 -0.369 6.644 1.00 0.00 H new ATOM 0 HA LYS A 53 8.037 1.138 5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.157 -1.048 7.271 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.517 -1.870 5.862 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.141 -0.313 5.849 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.035 -2.028 6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.253 -0.692 3.554 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.727 -1.594 3.843 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.911 -2.770 3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.001 -2.917 2.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.064 -4.879 3.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.572 -4.098 4.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.515 -3.955 5.342 1.00 0.00 H new ATOM 849 N PHE A 54 7.285 1.205 3.477 1.00 0.00 N ATOM 850 CA PHE A 54 7.117 1.136 2.013 1.00 0.00 C ATOM 851 C PHE A 54 8.412 0.616 1.382 1.00 0.00 C ATOM 852 O PHE A 54 9.498 1.149 1.646 1.00 0.00 O ATOM 853 CB PHE A 54 6.773 2.522 1.417 1.00 0.00 C ATOM 854 CG PHE A 54 5.376 3.032 1.753 1.00 0.00 C ATOM 855 CD1 PHE A 54 5.156 3.792 2.891 1.00 0.00 C ATOM 856 CD2 PHE A 54 4.289 2.775 0.916 1.00 0.00 C ATOM 857 CE1 PHE A 54 3.904 4.276 3.190 1.00 0.00 C ATOM 858 CE2 PHE A 54 3.034 3.262 1.224 1.00 0.00 C ATOM 859 CZ PHE A 54 2.843 4.016 2.356 1.00 0.00 C ATOM 0 H PHE A 54 7.730 2.064 3.801 1.00 0.00 H new ATOM 0 HA PHE A 54 6.290 0.460 1.794 1.00 0.00 H new ATOM 0 HB2 PHE A 54 7.505 3.247 1.773 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.875 2.472 0.333 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.981 4.008 3.554 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.431 2.190 0.019 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.754 4.863 4.084 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.200 3.049 0.572 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.862 4.403 2.590 1.00 0.00 H new ATOM 869 N ALA A 55 8.287 -0.442 0.571 1.00 0.00 N ATOM 870 CA ALA A 55 9.379 -0.975 -0.255 1.00 0.00 C ATOM 871 C ALA A 55 9.283 -0.338 -1.650 1.00 0.00 C ATOM 872 O ALA A 55 8.179 -0.010 -2.101 1.00 0.00 O ATOM 873 CB ALA A 55 9.283 -2.509 -0.328 1.00 0.00 C ATOM 0 H ALA A 55 7.414 -0.959 0.468 1.00 0.00 H new ATOM 0 HA ALA A 55 10.347 -0.730 0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.096 -2.896 -0.942 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.357 -2.926 0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.328 -2.793 -0.770 1.00 0.00 H new ATOM 879 N LEU A 56 10.440 -0.151 -2.320 1.00 0.00 N ATOM 880 CA LEU A 56 10.519 0.501 -3.653 1.00 0.00 C ATOM 881 C LEU A 56 9.632 -0.234 -4.686 1.00 0.00 C ATOM 882 O LEU A 56 9.013 0.408 -5.541 1.00 0.00 O ATOM 883 CB LEU A 56 12.013 0.590 -4.114 1.00 0.00 C ATOM 884 CG LEU A 56 12.386 1.663 -5.204 1.00 0.00 C ATOM 885 CD1 LEU A 56 12.016 1.237 -6.636 1.00 0.00 C ATOM 886 CD2 LEU A 56 11.773 3.033 -4.857 1.00 0.00 C ATOM 0 H LEU A 56 11.346 -0.446 -1.956 1.00 0.00 H new ATOM 0 HA LEU A 56 10.131 1.517 -3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.624 0.783 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.304 -0.389 -4.495 1.00 0.00 H new ATOM 0 HG LEU A 56 13.473 1.749 -5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.301 2.023 -7.335 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.543 0.317 -6.890 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.941 1.068 -6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.044 3.758 -5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.688 2.944 -4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.153 3.367 -3.892 1.00 0.00 H new ATOM 898 N GLY A 57 9.563 -1.573 -4.558 1.00 0.00 N ATOM 899 CA GLY A 57 8.671 -2.399 -5.373 1.00 0.00 C ATOM 900 C GLY A 57 7.207 -1.986 -5.238 1.00 0.00 C ATOM 901 O GLY A 57 6.533 -1.745 -6.240 1.00 0.00 O ATOM 0 H GLY A 57 10.122 -2.103 -3.890 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.970 -2.329 -6.419 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.779 -3.443 -5.080 1.00 0.00 H new ATOM 905 N GLU A 58 6.747 -1.853 -3.973 1.00 0.00 N ATOM 906 CA GLU A 58 5.366 -1.423 -3.634 1.00 0.00 C ATOM 907 C GLU A 58 5.061 -0.016 -4.188 1.00 0.00 C ATOM 908 O GLU A 58 3.943 0.251 -4.635 1.00 0.00 O ATOM 909 CB GLU A 58 5.142 -1.440 -2.093 1.00 0.00 C ATOM 910 CG GLU A 58 5.349 -2.811 -1.433 1.00 0.00 C ATOM 911 CD GLU A 58 5.035 -2.797 0.071 1.00 0.00 C ATOM 912 OE1 GLU A 58 5.891 -2.345 0.868 1.00 0.00 O ATOM 913 OE2 GLU A 58 3.915 -3.204 0.462 1.00 0.00 O ATOM 0 H GLU A 58 7.324 -2.041 -3.153 1.00 0.00 H new ATOM 0 HA GLU A 58 4.683 -2.133 -4.101 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.822 -0.723 -1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.128 -1.099 -1.882 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.714 -3.547 -1.926 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.381 -3.130 -1.582 1.00 0.00 H new ATOM 920 N LEU A 59 6.089 0.861 -4.180 1.00 0.00 N ATOM 921 CA LEU A 59 5.980 2.250 -4.674 1.00 0.00 C ATOM 922 C LEU A 59 5.771 2.295 -6.196 1.00 0.00 C ATOM 923 O LEU A 59 5.039 3.147 -6.705 1.00 0.00 O ATOM 924 CB LEU A 59 7.229 3.073 -4.256 1.00 0.00 C ATOM 925 CG LEU A 59 7.457 3.202 -2.717 1.00 0.00 C ATOM 926 CD1 LEU A 59 8.725 4.019 -2.391 1.00 0.00 C ATOM 927 CD2 LEU A 59 6.207 3.788 -2.031 1.00 0.00 C ATOM 0 H LEU A 59 7.018 0.625 -3.831 1.00 0.00 H new ATOM 0 HA LEU A 59 5.100 2.701 -4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.112 2.614 -4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.143 4.074 -4.679 1.00 0.00 H new ATOM 0 HG LEU A 59 7.621 2.201 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.847 4.085 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.596 3.528 -2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.629 5.022 -2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.385 3.870 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.997 4.776 -2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.354 3.133 -2.208 1.00 0.00 H new ATOM 939 N GLN A 60 6.433 1.368 -6.918 1.00 0.00 N ATOM 940 CA GLN A 60 6.243 1.204 -8.376 1.00 0.00 C ATOM 941 C GLN A 60 4.890 0.530 -8.695 1.00 0.00 C ATOM 942 O GLN A 60 4.383 0.655 -9.814 1.00 0.00 O ATOM 943 CB GLN A 60 7.422 0.403 -8.989 1.00 0.00 C ATOM 944 CG GLN A 60 8.832 1.000 -8.757 1.00 0.00 C ATOM 945 CD GLN A 60 9.101 2.370 -9.417 1.00 0.00 C ATOM 946 OE1 GLN A 60 8.215 3.206 -9.585 1.00 0.00 O ATOM 947 NE2 GLN A 60 10.347 2.614 -9.792 1.00 0.00 N ATOM 0 H GLN A 60 7.107 0.718 -6.514 1.00 0.00 H new ATOM 0 HA GLN A 60 6.228 2.196 -8.828 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.403 -0.607 -8.579 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.257 0.314 -10.063 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.992 1.098 -7.683 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.572 0.289 -9.126 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.071 1.910 -9.646 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.583 3.506 -10.227 1.00 0.00 H new ATOM 956 N LYS A 61 4.311 -0.186 -7.705 1.00 0.00 N ATOM 957 CA LYS A 61 2.962 -0.787 -7.840 1.00 0.00 C ATOM 958 C LYS A 61 1.857 0.255 -7.584 1.00 0.00 C ATOM 959 O LYS A 61 0.684 -0.015 -7.849 1.00 0.00 O ATOM 960 CB LYS A 61 2.772 -2.020 -6.896 1.00 0.00 C ATOM 961 CG LYS A 61 3.808 -3.159 -7.084 1.00 0.00 C ATOM 962 CD LYS A 61 3.962 -3.625 -8.555 1.00 0.00 C ATOM 963 CE LYS A 61 2.688 -4.258 -9.139 1.00 0.00 C ATOM 964 NZ LYS A 61 2.804 -4.477 -10.598 1.00 0.00 N ATOM 0 H LYS A 61 4.755 -0.362 -6.804 1.00 0.00 H new ATOM 0 HA LYS A 61 2.877 -1.138 -8.868 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.816 -1.677 -5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.774 -2.428 -7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.777 -2.821 -6.716 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.513 -4.011 -6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.247 -2.771 -9.169 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.776 -4.347 -8.615 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.494 -5.209 -8.643 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.834 -3.612 -8.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.926 -4.905 -10.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.964 -3.566 -11.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.603 -5.114 -10.791 1.00 0.00 H new ATOM 978 N LEU A 62 2.232 1.439 -7.066 1.00 0.00 N ATOM 979 CA LEU A 62 1.302 2.570 -6.910 1.00 0.00 C ATOM 980 C LEU A 62 1.124 3.269 -8.270 1.00 0.00 C ATOM 981 O LEU A 62 2.072 3.355 -9.045 1.00 0.00 O ATOM 982 CB LEU A 62 1.840 3.570 -5.845 1.00 0.00 C ATOM 983 CG LEU A 62 2.108 2.973 -4.423 1.00 0.00 C ATOM 984 CD1 LEU A 62 2.755 4.019 -3.487 1.00 0.00 C ATOM 985 CD2 LEU A 62 0.817 2.378 -3.807 1.00 0.00 C ATOM 0 H LEU A 62 3.180 1.637 -6.747 1.00 0.00 H new ATOM 0 HA LEU A 62 0.335 2.201 -6.567 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.768 4.003 -6.217 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.124 4.386 -5.747 1.00 0.00 H new ATOM 0 HG LEU A 62 2.819 2.155 -4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.928 3.573 -2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.705 4.347 -3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.089 4.876 -3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.038 1.972 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.063 3.160 -3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.440 1.583 -4.450 1.00 0.00 H new ATOM 997 N LYS A 63 -0.106 3.669 -8.596 1.00 0.00 N ATOM 998 CA LYS A 63 -0.419 4.468 -9.796 1.00 0.00 C ATOM 999 C LYS A 63 -1.071 5.798 -9.367 1.00 0.00 C ATOM 1000 O LYS A 63 -0.831 6.849 -9.976 1.00 0.00 O ATOM 1001 CB LYS A 63 -1.304 3.597 -10.739 1.00 0.00 C ATOM 1002 CG LYS A 63 -1.834 4.256 -12.040 1.00 0.00 C ATOM 1003 CD LYS A 63 -3.188 4.974 -11.842 1.00 0.00 C ATOM 1004 CE LYS A 63 -3.811 5.488 -13.145 1.00 0.00 C ATOM 1005 NZ LYS A 63 -5.109 6.173 -12.890 1.00 0.00 N ATOM 0 H LYS A 63 -0.927 3.448 -8.032 1.00 0.00 H new ATOM 0 HA LYS A 63 0.476 4.741 -10.356 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.728 2.715 -11.020 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.163 3.248 -10.166 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.098 4.973 -12.404 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.943 3.492 -12.810 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.886 4.288 -11.362 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.048 5.814 -11.161 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.123 6.178 -13.632 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.965 4.655 -13.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.870 5.673 -13.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.308 6.170 -11.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.056 7.154 -13.230 1.00 0.00 H new ATOM 1019 N ASN A 64 -1.899 5.732 -8.309 1.00 0.00 N ATOM 1020 CA ASN A 64 -2.613 6.898 -7.747 1.00 0.00 C ATOM 1021 C ASN A 64 -2.932 6.678 -6.247 1.00 0.00 C ATOM 1022 O ASN A 64 -2.560 5.646 -5.686 1.00 0.00 O ATOM 1023 CB ASN A 64 -3.894 7.217 -8.588 1.00 0.00 C ATOM 1024 CG ASN A 64 -4.859 6.053 -8.862 1.00 0.00 C ATOM 1025 OD1 ASN A 64 -5.516 6.032 -9.903 1.00 0.00 O ATOM 1026 ND2 ASN A 64 -4.987 5.097 -7.953 1.00 0.00 N ATOM 0 H ASN A 64 -2.095 4.862 -7.814 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.963 7.771 -7.808 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.449 8.003 -8.075 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.576 7.626 -9.547 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.638 4.328 -8.110 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.434 5.131 -7.096 1.00 0.00 H new ATOM 1033 N VAL A 65 -3.640 7.642 -5.611 1.00 0.00 N ATOM 1034 CA VAL A 65 -3.971 7.588 -4.160 1.00 0.00 C ATOM 1035 C VAL A 65 -5.038 6.505 -3.868 1.00 0.00 C ATOM 1036 O VAL A 65 -5.214 6.095 -2.725 1.00 0.00 O ATOM 1037 CB VAL A 65 -4.443 8.990 -3.590 1.00 0.00 C ATOM 1038 CG1 VAL A 65 -4.578 8.976 -2.047 1.00 0.00 C ATOM 1039 CG2 VAL A 65 -3.484 10.112 -4.003 1.00 0.00 C ATOM 0 H VAL A 65 -3.997 8.474 -6.081 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.048 7.321 -3.646 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.426 9.180 -4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.903 9.957 -1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.312 8.226 -1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.614 8.735 -1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.836 11.060 -3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.487 9.899 -3.617 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.446 10.176 -5.090 1.00 0.00 H new ATOM 1049 N GLY A 66 -5.725 6.027 -4.918 1.00 0.00 N ATOM 1050 CA GLY A 66 -6.621 4.867 -4.797 1.00 0.00 C ATOM 1051 C GLY A 66 -5.851 3.580 -4.543 1.00 0.00 C ATOM 1052 O GLY A 66 -6.335 2.677 -3.844 1.00 0.00 O ATOM 0 H GLY A 66 -5.677 6.424 -5.856 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.325 5.036 -3.982 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.208 4.765 -5.710 1.00 0.00 H new ATOM 1056 N ASP A 67 -4.629 3.516 -5.108 1.00 0.00 N ATOM 1057 CA ASP A 67 -3.664 2.456 -4.792 1.00 0.00 C ATOM 1058 C ASP A 67 -3.178 2.619 -3.353 1.00 0.00 C ATOM 1059 O ASP A 67 -3.066 1.636 -2.654 1.00 0.00 O ATOM 1060 CB ASP A 67 -2.459 2.453 -5.766 1.00 0.00 C ATOM 1061 CG ASP A 67 -2.858 2.074 -7.193 1.00 0.00 C ATOM 1062 OD1 ASP A 67 -2.911 0.869 -7.504 1.00 0.00 O ATOM 1063 OD2 ASP A 67 -3.144 2.973 -8.004 1.00 0.00 O ATOM 0 H ASP A 67 -4.290 4.194 -5.790 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.172 1.498 -4.906 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.998 3.441 -5.772 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.706 1.752 -5.405 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.918 3.876 -2.915 1.00 0.00 N ATOM 1069 CA LEU A 68 -2.554 4.187 -1.508 1.00 0.00 C ATOM 1070 C LEU A 68 -3.716 3.871 -0.542 1.00 0.00 C ATOM 1071 O LEU A 68 -3.479 3.565 0.622 1.00 0.00 O ATOM 1072 CB LEU A 68 -2.119 5.687 -1.327 1.00 0.00 C ATOM 1073 CG LEU A 68 -0.661 6.082 -1.726 1.00 0.00 C ATOM 1074 CD1 LEU A 68 0.372 5.242 -0.952 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -0.446 6.007 -3.250 1.00 0.00 C ATOM 0 H LEU A 68 -2.954 4.696 -3.520 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.704 3.550 -1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.803 6.305 -1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.262 5.952 -0.279 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.510 7.123 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.378 5.538 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.247 5.407 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.223 4.186 -1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.580 6.289 -3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.631 4.989 -3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.134 6.690 -3.749 1.00 0.00 H new ATOM 1087 N ALA A 69 -4.964 3.958 -1.029 1.00 0.00 N ATOM 1088 CA ALA A 69 -6.150 3.660 -0.206 1.00 0.00 C ATOM 1089 C ALA A 69 -6.148 2.181 0.172 1.00 0.00 C ATOM 1090 O ALA A 69 -6.229 1.813 1.351 1.00 0.00 O ATOM 1091 CB ALA A 69 -7.443 4.026 -0.945 1.00 0.00 C ATOM 0 H ALA A 69 -5.179 4.232 -1.988 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.107 4.264 0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.301 3.795 -0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.440 5.091 -1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.508 3.453 -1.870 1.00 0.00 H new ATOM 1097 N ASP A 70 -6.007 1.354 -0.870 1.00 0.00 N ATOM 1098 CA ASP A 70 -5.931 -0.101 -0.739 1.00 0.00 C ATOM 1099 C ASP A 70 -4.650 -0.503 0.035 1.00 0.00 C ATOM 1100 O ASP A 70 -4.734 -1.228 1.009 1.00 0.00 O ATOM 1101 CB ASP A 70 -5.982 -0.764 -2.141 1.00 0.00 C ATOM 1102 CG ASP A 70 -6.143 -2.302 -2.091 1.00 0.00 C ATOM 1103 OD1 ASP A 70 -7.272 -2.782 -1.828 1.00 0.00 O ATOM 1104 OD2 ASP A 70 -5.156 -3.035 -2.319 1.00 0.00 O ATOM 0 H ASP A 70 -5.942 1.681 -1.834 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.789 -0.457 -0.168 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.811 -0.338 -2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.068 -0.520 -2.683 1.00 0.00 H new ATOM 1109 N LEU A 71 -3.505 0.095 -0.351 1.00 0.00 N ATOM 1110 CA LEU A 71 -2.138 -0.297 0.107 1.00 0.00 C ATOM 1111 C LEU A 71 -1.911 0.062 1.588 1.00 0.00 C ATOM 1112 O LEU A 71 -1.472 -0.789 2.363 1.00 0.00 O ATOM 1113 CB LEU A 71 -1.059 0.369 -0.824 1.00 0.00 C ATOM 1114 CG LEU A 71 0.455 -0.066 -0.709 1.00 0.00 C ATOM 1115 CD1 LEU A 71 1.160 0.522 0.523 1.00 0.00 C ATOM 1116 CD2 LEU A 71 0.630 -1.597 -0.763 1.00 0.00 C ATOM 0 H LEU A 71 -3.494 0.880 -1.002 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.042 -1.380 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.369 0.197 -1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.102 1.445 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 71 0.943 0.357 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.197 0.186 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.133 1.611 0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.652 0.188 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.688 -1.845 -0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.084 -2.055 0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.242 -1.974 -1.709 1.00 0.00 H new ATOM 1128 N VAL A 72 -2.149 1.331 1.973 1.00 0.00 N ATOM 1129 CA VAL A 72 -1.998 1.769 3.382 1.00 0.00 C ATOM 1130 C VAL A 72 -3.055 1.082 4.283 1.00 0.00 C ATOM 1131 O VAL A 72 -2.803 0.855 5.467 1.00 0.00 O ATOM 1132 CB VAL A 72 -2.043 3.341 3.531 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -1.823 3.798 4.999 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -1.015 4.019 2.584 1.00 0.00 C ATOM 0 H VAL A 72 -2.445 2.070 1.335 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.009 1.457 3.716 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.044 3.659 3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.862 4.886 5.051 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.603 3.376 5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.849 3.453 5.345 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.066 5.101 2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.011 3.673 2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.246 3.759 1.551 1.00 0.00 H new ATOM 1144 N ASP A 73 -4.223 0.703 3.701 1.00 0.00 N ATOM 1145 CA ASP A 73 -5.213 -0.135 4.418 1.00 0.00 C ATOM 1146 C ASP A 73 -4.692 -1.582 4.560 1.00 0.00 C ATOM 1147 O ASP A 73 -5.016 -2.260 5.531 1.00 0.00 O ATOM 1148 CB ASP A 73 -6.591 -0.131 3.716 1.00 0.00 C ATOM 1149 CG ASP A 73 -7.689 -0.819 4.549 1.00 0.00 C ATOM 1150 OD1 ASP A 73 -8.234 -0.180 5.481 1.00 0.00 O ATOM 1151 OD2 ASP A 73 -8.005 -2.000 4.288 1.00 0.00 O ATOM 0 H ASP A 73 -4.497 0.961 2.753 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.347 0.297 5.410 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.887 0.898 3.513 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.504 -0.633 2.753 1.00 0.00 H new ATOM 1156 N LYS A 74 -3.873 -2.035 3.584 1.00 0.00 N ATOM 1157 CA LYS A 74 -3.197 -3.353 3.657 1.00 0.00 C ATOM 1158 C LYS A 74 -2.157 -3.332 4.786 1.00 0.00 C ATOM 1159 O LYS A 74 -1.965 -4.336 5.469 1.00 0.00 O ATOM 1160 CB LYS A 74 -2.513 -3.779 2.325 1.00 0.00 C ATOM 1161 CG LYS A 74 -3.456 -4.009 1.127 1.00 0.00 C ATOM 1162 CD LYS A 74 -4.628 -4.969 1.428 1.00 0.00 C ATOM 1163 CE LYS A 74 -5.492 -5.250 0.186 1.00 0.00 C ATOM 1164 NZ LYS A 74 -6.688 -6.060 0.512 1.00 0.00 N ATOM 0 H LYS A 74 -3.663 -1.508 2.736 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.974 -4.092 3.856 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.788 -3.013 2.050 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.954 -4.697 2.504 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.859 -3.049 0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.878 -4.407 0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.234 -5.909 1.813 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.252 -4.541 2.212 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.805 -4.305 -0.259 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.894 -5.772 -0.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.241 -6.226 -0.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.391 -6.972 0.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.273 -5.552 1.205 1.00 0.00 H new ATOM 1178 N LYS A 75 -1.512 -2.165 4.985 1.00 0.00 N ATOM 1179 CA LYS A 75 -0.555 -1.950 6.082 1.00 0.00 C ATOM 1180 C LYS A 75 -1.278 -2.069 7.434 1.00 0.00 C ATOM 1181 O LYS A 75 -0.816 -2.773 8.341 1.00 0.00 O ATOM 1182 CB LYS A 75 0.119 -0.559 5.954 1.00 0.00 C ATOM 1183 CG LYS A 75 0.948 -0.351 4.665 1.00 0.00 C ATOM 1184 CD LYS A 75 2.104 -1.364 4.530 1.00 0.00 C ATOM 1185 CE LYS A 75 2.943 -1.158 3.263 1.00 0.00 C ATOM 1186 NZ LYS A 75 4.010 -2.178 3.155 1.00 0.00 N ATOM 0 H LYS A 75 -1.642 -1.348 4.389 1.00 0.00 H new ATOM 0 HA LYS A 75 0.222 -2.713 6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.654 0.208 5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.770 -0.406 6.815 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.292 -0.437 3.799 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.354 0.660 4.658 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.751 -1.285 5.403 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.695 -2.374 4.527 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.299 -1.208 2.385 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.388 -0.163 3.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.936 -1.708 3.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.981 -2.800 3.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.864 -2.744 2.295 1.00 0.00 H new ATOM 1200 N LEU A 76 -2.439 -1.397 7.531 1.00 0.00 N ATOM 1201 CA LEU A 76 -3.314 -1.441 8.719 1.00 0.00 C ATOM 1202 C LEU A 76 -3.930 -2.854 8.901 1.00 0.00 C ATOM 1203 O LEU A 76 -4.232 -3.271 10.030 1.00 0.00 O ATOM 1204 CB LEU A 76 -4.417 -0.351 8.604 1.00 0.00 C ATOM 1205 CG LEU A 76 -3.910 1.127 8.494 1.00 0.00 C ATOM 1206 CD1 LEU A 76 -5.088 2.113 8.314 1.00 0.00 C ATOM 1207 CD2 LEU A 76 -3.019 1.517 9.702 1.00 0.00 C ATOM 0 H LEU A 76 -2.800 -0.804 6.783 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.716 -1.232 9.606 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.028 -0.571 7.729 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.068 -0.427 9.475 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.288 1.194 7.601 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.703 3.130 8.241 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.634 1.865 7.404 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.758 2.039 9.170 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.686 2.549 9.590 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.592 1.418 10.624 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.151 0.858 9.742 1.00 0.00 H new ATOM 1219 N ALA A 77 -4.067 -3.590 7.776 1.00 0.00 N ATOM 1220 CA ALA A 77 -4.548 -4.991 7.750 1.00 0.00 C ATOM 1221 C ALA A 77 -3.449 -5.954 8.220 1.00 0.00 C ATOM 1222 O ALA A 77 -3.731 -7.105 8.572 1.00 0.00 O ATOM 1223 CB ALA A 77 -5.034 -5.370 6.341 1.00 0.00 C ATOM 0 H ALA A 77 -3.845 -3.225 6.850 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.389 -5.074 8.438 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.383 -6.403 6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.851 -4.711 6.048 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.212 -5.266 5.632 1.00 0.00 H new ATOM 1229 N ARG A 78 -2.192 -5.491 8.172 1.00 0.00 N ATOM 1230 CA ARG A 78 -1.048 -6.210 8.748 1.00 0.00 C ATOM 1231 C ARG A 78 -0.890 -5.878 10.245 1.00 0.00 C ATOM 1232 O ARG A 78 -0.380 -6.707 11.000 1.00 0.00 O ATOM 1233 CB ARG A 78 0.269 -5.871 7.997 1.00 0.00 C ATOM 1234 CG ARG A 78 0.311 -6.249 6.498 1.00 0.00 C ATOM 1235 CD ARG A 78 0.091 -7.752 6.240 1.00 0.00 C ATOM 1236 NE ARG A 78 1.077 -8.592 6.945 1.00 0.00 N ATOM 1237 CZ ARG A 78 1.146 -9.929 6.888 1.00 0.00 C ATOM 1238 NH1 ARG A 78 0.314 -10.631 6.130 1.00 0.00 N ATOM 1239 NH2 ARG A 78 2.059 -10.557 7.609 1.00 0.00 N ATOM 0 H ARG A 78 -1.940 -4.606 7.732 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.246 -7.276 8.638 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.450 -4.800 8.086 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.092 -6.376 8.502 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.452 -5.681 5.966 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.275 -5.954 6.083 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.914 -8.030 6.559 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.151 -7.947 5.169 1.00 0.00 H new ATOM 0 HE ARG A 78 1.766 -8.114 7.526 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.396 -10.154 5.575 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.385 -11.648 6.102 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.699 -10.024 8.198 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.124 -11.574 7.576 1.00 0.00 H new ATOM 1253 N LYS A 79 -1.320 -4.654 10.671 1.00 0.00 N ATOM 1254 CA LYS A 79 -1.087 -4.176 12.058 1.00 0.00 C ATOM 1255 C LYS A 79 -1.941 -4.945 13.096 1.00 0.00 C ATOM 1256 O LYS A 79 -1.434 -5.869 13.735 1.00 0.00 O ATOM 1257 CB LYS A 79 -1.380 -2.642 12.179 1.00 0.00 C ATOM 1258 CG LYS A 79 -0.453 -1.728 11.354 1.00 0.00 C ATOM 1259 CD LYS A 79 1.035 -1.891 11.729 1.00 0.00 C ATOM 1260 CE LYS A 79 1.955 -0.992 10.896 1.00 0.00 C ATOM 1261 NZ LYS A 79 3.374 -1.173 11.264 1.00 0.00 N ATOM 0 H LYS A 79 -1.822 -3.992 10.079 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.036 -4.365 12.277 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.410 -2.460 11.872 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.305 -2.356 13.228 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.582 -1.948 10.294 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.749 -0.689 11.502 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.167 -1.660 12.786 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.329 -2.932 11.592 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.822 -1.216 9.838 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.672 0.051 11.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.916 -0.332 10.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.452 -1.305 12.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.755 -2.010 10.778 1.00 0.00 H new