USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=12 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 142:sc= -1.42 USER MOD Set 1.2: A 18 HIS : no HE2:sc= -8.11! C(o=-18!,f=-20!) USER MOD Set 1.3: A 34 CYS SG : rot 150:sc= -4.69! USER MOD Set 1.4: A 37 CYS SG : rot -32:sc= -3.34! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 53:sc= 0.403 USER MOD Single : A 5 SER OG : rot 49:sc= -1.82! USER MOD Single : A 14 THR OG1 : rot 108:sc= -0.858 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.00095) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 129:sc= 1.24 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0.662 K(o=0.66,f=-0.061) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -22.814 6.297 -14.758 1.00 0.00 N ATOM 2 CA ALA A 2 -22.218 7.613 -15.108 1.00 0.00 C ATOM 3 C ALA A 2 -21.608 7.584 -16.505 1.00 0.00 C ATOM 4 O ALA A 2 -21.310 6.516 -17.041 1.00 0.00 O ATOM 5 CB ALA A 2 -21.168 8.006 -14.081 1.00 0.00 C ATOM 0 HA ALA A 2 -23.014 8.358 -15.102 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -20.740 8.972 -14.350 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -21.630 8.075 -13.096 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -20.380 7.253 -14.060 1.00 0.00 H new ATOM 10 N SER A 3 -21.424 8.763 -17.089 1.00 0.00 N ATOM 11 CA SER A 3 -20.848 8.873 -18.425 1.00 0.00 C ATOM 12 C SER A 3 -19.379 8.463 -18.419 1.00 0.00 C ATOM 13 O SER A 3 -18.867 7.937 -19.407 1.00 0.00 O ATOM 14 CB SER A 3 -20.990 10.302 -18.949 1.00 0.00 C ATOM 15 OG SER A 3 -22.338 10.735 -18.895 1.00 0.00 O ATOM 0 H SER A 3 -21.665 9.656 -16.659 1.00 0.00 H new ATOM 0 HA SER A 3 -21.392 8.197 -19.085 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.366 10.973 -18.358 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.630 10.353 -19.976 1.00 0.00 H new ATOM 0 HG SER A 3 -22.401 11.652 -19.234 1.00 0.00 H new ATOM 21 N THR A 4 -18.706 8.709 -17.298 1.00 0.00 N ATOM 22 CA THR A 4 -17.295 8.366 -17.164 1.00 0.00 C ATOM 23 C THR A 4 -17.091 7.319 -16.071 1.00 0.00 C ATOM 24 O THR A 4 -16.534 7.609 -15.013 1.00 0.00 O ATOM 25 CB THR A 4 -16.474 9.617 -16.848 1.00 0.00 C ATOM 26 OG1 THR A 4 -16.941 10.238 -15.664 1.00 0.00 O ATOM 27 CG2 THR A 4 -16.509 10.650 -17.954 1.00 0.00 C ATOM 0 H THR A 4 -19.115 9.144 -16.471 1.00 0.00 H new ATOM 0 HA THR A 4 -16.956 7.947 -18.111 1.00 0.00 H new ATOM 0 HB THR A 4 -15.448 9.268 -16.731 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.979 9.577 -14.941 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.907 11.512 -17.666 1.00 0.00 H new ATOM 0 HG22 THR A 4 -16.107 10.216 -18.870 1.00 0.00 H new ATOM 0 HG23 THR A 4 -17.538 10.967 -18.124 1.00 0.00 H new ATOM 35 N SER A 5 -17.548 6.099 -16.338 1.00 0.00 N ATOM 36 CA SER A 5 -17.418 5.008 -15.379 1.00 0.00 C ATOM 37 C SER A 5 -17.137 3.689 -16.094 1.00 0.00 C ATOM 38 O SER A 5 -16.035 3.148 -16.010 1.00 0.00 O ATOM 39 CB SER A 5 -18.688 4.887 -14.534 1.00 0.00 C ATOM 40 OG SER A 5 -19.780 5.540 -15.157 1.00 0.00 O ATOM 0 H SER A 5 -18.011 5.842 -17.210 1.00 0.00 H new ATOM 0 HA SER A 5 -16.577 5.231 -14.722 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.928 3.835 -14.382 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.515 5.320 -13.549 1.00 0.00 H new ATOM 0 HG SER A 5 -19.833 5.265 -16.096 1.00 0.00 H new ATOM 46 N ARG A 6 -18.144 3.179 -16.798 1.00 0.00 N ATOM 47 CA ARG A 6 -18.012 1.925 -17.531 1.00 0.00 C ATOM 48 C ARG A 6 -17.798 0.752 -16.579 1.00 0.00 C ATOM 49 O ARG A 6 -18.716 -0.028 -16.324 1.00 0.00 O ATOM 50 CB ARG A 6 -16.853 2.009 -18.530 1.00 0.00 C ATOM 51 CG ARG A 6 -17.299 2.312 -19.951 1.00 0.00 C ATOM 52 CD ARG A 6 -16.133 2.768 -20.815 1.00 0.00 C ATOM 53 NE ARG A 6 -16.310 2.392 -22.215 1.00 0.00 N ATOM 54 CZ ARG A 6 -15.653 2.960 -23.224 1.00 0.00 C ATOM 55 NH1 ARG A 6 -14.774 3.928 -22.993 1.00 0.00 N ATOM 56 NH2 ARG A 6 -15.875 2.560 -24.469 1.00 0.00 N ATOM 0 H ARG A 6 -19.062 3.617 -16.876 1.00 0.00 H new ATOM 0 HA ARG A 6 -18.940 1.757 -18.077 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -16.157 2.782 -18.203 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -16.308 1.065 -18.522 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -17.752 1.423 -20.389 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -18.066 3.086 -19.936 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -16.028 3.850 -20.741 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -15.209 2.332 -20.436 1.00 0.00 H new ATOM 0 HE ARG A 6 -16.976 1.651 -22.433 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -14.599 4.241 -22.038 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -14.274 4.359 -23.771 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -16.549 1.817 -24.653 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -15.372 2.995 -25.242 1.00 0.00 H new ATOM 70 N LEU A 7 -16.581 0.630 -16.057 1.00 0.00 N ATOM 71 CA LEU A 7 -16.250 -0.450 -15.135 1.00 0.00 C ATOM 72 C LEU A 7 -16.216 0.048 -13.694 1.00 0.00 C ATOM 73 O LEU A 7 -16.780 -0.578 -12.798 1.00 0.00 O ATOM 74 CB LEU A 7 -14.899 -1.067 -15.507 1.00 0.00 C ATOM 75 CG LEU A 7 -14.980 -2.367 -16.308 1.00 0.00 C ATOM 76 CD1 LEU A 7 -13.787 -2.491 -17.245 1.00 0.00 C ATOM 77 CD2 LEU A 7 -15.052 -3.564 -15.372 1.00 0.00 C ATOM 0 H LEU A 7 -15.809 1.266 -16.257 1.00 0.00 H new ATOM 0 HA LEU A 7 -17.026 -1.211 -15.215 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -14.330 -0.338 -16.084 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -14.339 -1.257 -14.591 1.00 0.00 H new ATOM 0 HG LEU A 7 -15.888 -2.346 -16.910 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -13.861 -3.422 -17.807 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -13.779 -1.649 -17.937 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -12.866 -2.491 -16.663 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -15.109 -4.481 -15.958 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -14.161 -3.589 -14.744 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -15.937 -3.480 -14.742 1.00 0.00 H new ATOM 89 N ASP A 8 -15.547 1.176 -13.477 1.00 0.00 N ATOM 90 CA ASP A 8 -15.436 1.754 -12.142 1.00 0.00 C ATOM 91 C ASP A 8 -14.713 0.799 -11.194 1.00 0.00 C ATOM 92 O ASP A 8 -14.876 0.877 -9.976 1.00 0.00 O ATOM 93 CB ASP A 8 -16.824 2.085 -11.590 1.00 0.00 C ATOM 94 CG ASP A 8 -17.268 3.490 -11.947 1.00 0.00 C ATOM 95 OD1 ASP A 8 -16.391 4.350 -12.176 1.00 0.00 O ATOM 96 OD2 ASP A 8 -18.493 3.730 -11.999 1.00 0.00 O ATOM 0 H ASP A 8 -15.074 1.708 -14.208 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.854 2.673 -12.218 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -17.547 1.368 -11.979 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.817 1.974 -10.506 1.00 0.00 H new ATOM 101 N ALA A 9 -13.915 -0.101 -11.762 1.00 0.00 N ATOM 102 CA ALA A 9 -13.166 -1.072 -10.972 1.00 0.00 C ATOM 103 C ALA A 9 -12.342 -1.985 -11.875 1.00 0.00 C ATOM 104 O ALA A 9 -12.464 -1.932 -13.100 1.00 0.00 O ATOM 105 CB ALA A 9 -14.109 -1.896 -10.107 1.00 0.00 C ATOM 0 H ALA A 9 -13.771 -0.178 -12.769 1.00 0.00 H new ATOM 0 HA ALA A 9 -12.483 -0.526 -10.321 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -13.533 -2.615 -9.524 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -14.654 -1.236 -9.432 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -14.816 -2.428 -10.744 1.00 0.00 H new ATOM 111 N LEU A 10 -11.506 -2.821 -11.268 1.00 0.00 N ATOM 112 CA LEU A 10 -10.667 -3.743 -12.026 1.00 0.00 C ATOM 113 C LEU A 10 -10.091 -4.833 -11.120 1.00 0.00 C ATOM 114 O LEU A 10 -10.406 -6.012 -11.282 1.00 0.00 O ATOM 115 CB LEU A 10 -9.537 -2.982 -12.727 1.00 0.00 C ATOM 116 CG LEU A 10 -9.739 -2.761 -14.227 1.00 0.00 C ATOM 117 CD1 LEU A 10 -8.892 -1.595 -14.714 1.00 0.00 C ATOM 118 CD2 LEU A 10 -9.402 -4.026 -15.002 1.00 0.00 C ATOM 0 H LEU A 10 -11.391 -2.879 -10.256 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.289 -4.223 -12.781 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.419 -2.012 -12.245 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.605 -3.527 -12.578 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.788 -2.520 -14.401 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.049 -1.453 -15.783 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.180 -0.689 -14.181 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.839 -1.807 -14.527 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.551 -3.851 -16.067 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.362 -4.297 -14.821 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.051 -4.838 -14.673 1.00 0.00 H new ATOM 130 N PRO A 11 -9.233 -4.457 -10.151 1.00 0.00 N ATOM 131 CA PRO A 11 -8.619 -5.419 -9.229 1.00 0.00 C ATOM 132 C PRO A 11 -9.626 -6.000 -8.241 1.00 0.00 C ATOM 133 O PRO A 11 -10.821 -5.707 -8.311 1.00 0.00 O ATOM 134 CB PRO A 11 -7.568 -4.586 -8.494 1.00 0.00 C ATOM 135 CG PRO A 11 -8.073 -3.187 -8.566 1.00 0.00 C ATOM 136 CD PRO A 11 -8.794 -3.074 -9.881 1.00 0.00 C ATOM 0 HA PRO A 11 -8.208 -6.281 -9.754 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.456 -4.913 -7.460 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.590 -4.678 -8.966 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.743 -2.971 -7.734 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.252 -2.472 -8.508 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.640 -2.389 -9.818 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.139 -2.700 -10.668 1.00 0.00 H new ATOM 144 N ARG A 12 -9.137 -6.824 -7.320 1.00 0.00 N ATOM 145 CA ARG A 12 -9.993 -7.447 -6.315 1.00 0.00 C ATOM 146 C ARG A 12 -9.508 -7.107 -4.908 1.00 0.00 C ATOM 147 O ARG A 12 -8.650 -6.242 -4.729 1.00 0.00 O ATOM 148 CB ARG A 12 -10.055 -8.975 -6.499 1.00 0.00 C ATOM 149 CG ARG A 12 -9.046 -9.542 -7.491 1.00 0.00 C ATOM 150 CD ARG A 12 -7.872 -10.200 -6.781 1.00 0.00 C ATOM 151 NE ARG A 12 -6.594 -9.854 -7.397 1.00 0.00 N ATOM 152 CZ ARG A 12 -5.890 -8.766 -7.090 1.00 0.00 C ATOM 153 NH1 ARG A 12 -6.340 -7.907 -6.184 1.00 0.00 N ATOM 154 NH2 ARG A 12 -4.732 -8.535 -7.694 1.00 0.00 N ATOM 0 H ARG A 12 -8.151 -7.076 -7.248 1.00 0.00 H new ATOM 0 HA ARG A 12 -10.999 -7.048 -6.447 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.897 -9.450 -5.531 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.058 -9.247 -6.828 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.538 -10.271 -8.135 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.680 -8.743 -8.136 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.864 -9.895 -5.735 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.000 -11.282 -6.796 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.218 -10.484 -8.105 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.231 -8.078 -5.717 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.795 -7.076 -5.954 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.382 -9.190 -8.393 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.192 -7.702 -7.460 1.00 0.00 H new ATOM 168 N VAL A 13 -10.067 -7.786 -3.910 1.00 0.00 N ATOM 169 CA VAL A 13 -9.695 -7.547 -2.521 1.00 0.00 C ATOM 170 C VAL A 13 -8.324 -8.139 -2.196 1.00 0.00 C ATOM 171 O VAL A 13 -7.327 -7.419 -2.142 1.00 0.00 O ATOM 172 CB VAL A 13 -10.748 -8.125 -1.552 1.00 0.00 C ATOM 173 CG1 VAL A 13 -10.391 -7.796 -0.110 1.00 0.00 C ATOM 174 CG2 VAL A 13 -12.133 -7.600 -1.897 1.00 0.00 C ATOM 0 H VAL A 13 -10.779 -8.505 -4.038 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.648 -6.466 -2.390 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.755 -9.210 -1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.146 -8.213 0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.418 -8.225 0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.352 -6.714 0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -12.863 -8.018 -1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.140 -6.513 -1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.390 -7.893 -2.915 1.00 0.00 H new ATOM 184 N THR A 14 -8.278 -9.450 -1.969 1.00 0.00 N ATOM 185 CA THR A 14 -7.031 -10.130 -1.639 1.00 0.00 C ATOM 186 C THR A 14 -6.399 -10.752 -2.886 1.00 0.00 C ATOM 187 O THR A 14 -6.551 -10.232 -3.991 1.00 0.00 O ATOM 188 CB THR A 14 -7.296 -11.201 -0.576 1.00 0.00 C ATOM 189 OG1 THR A 14 -7.959 -12.317 -1.144 1.00 0.00 O ATOM 190 CG2 THR A 14 -8.143 -10.703 0.575 1.00 0.00 C ATOM 0 H THR A 14 -9.093 -10.062 -2.008 1.00 0.00 H new ATOM 0 HA THR A 14 -6.327 -9.399 -1.242 1.00 0.00 H new ATOM 0 HB THR A 14 -6.314 -11.477 -0.192 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.336 -13.071 -1.206 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.293 -11.510 1.292 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.637 -9.871 1.066 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.109 -10.369 0.198 1.00 0.00 H new ATOM 198 N CYS A 15 -5.694 -11.867 -2.706 1.00 0.00 N ATOM 199 CA CYS A 15 -5.046 -12.556 -3.814 1.00 0.00 C ATOM 200 C CYS A 15 -6.083 -13.203 -4.730 1.00 0.00 C ATOM 201 O CYS A 15 -7.051 -13.797 -4.258 1.00 0.00 O ATOM 202 CB CYS A 15 -4.101 -13.625 -3.270 1.00 0.00 C ATOM 203 SG CYS A 15 -3.110 -14.465 -4.526 1.00 0.00 S ATOM 0 H CYS A 15 -5.558 -12.312 -1.798 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.480 -11.827 -4.394 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.430 -13.163 -2.546 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.688 -14.369 -2.731 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.914 -14.678 -4.064 1.00 0.00 H new ATOM 209 N PRO A 16 -5.893 -13.105 -6.058 1.00 0.00 N ATOM 210 CA PRO A 16 -6.821 -13.694 -7.028 1.00 0.00 C ATOM 211 C PRO A 16 -6.919 -15.210 -6.878 1.00 0.00 C ATOM 212 O PRO A 16 -7.902 -15.822 -7.297 1.00 0.00 O ATOM 213 CB PRO A 16 -6.216 -13.325 -8.388 1.00 0.00 C ATOM 214 CG PRO A 16 -4.790 -12.996 -8.104 1.00 0.00 C ATOM 215 CD PRO A 16 -4.769 -12.421 -6.717 1.00 0.00 C ATOM 0 HA PRO A 16 -7.837 -13.324 -6.894 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.297 -14.153 -9.093 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.735 -12.476 -8.833 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.164 -13.886 -8.168 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.402 -12.281 -8.829 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.824 -12.620 -6.212 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.904 -11.339 -6.726 1.00 0.00 H new ATOM 223 N ASN A 17 -5.896 -15.811 -6.277 1.00 0.00 N ATOM 224 CA ASN A 17 -5.870 -17.255 -6.069 1.00 0.00 C ATOM 225 C ASN A 17 -5.875 -17.599 -4.579 1.00 0.00 C ATOM 226 O ASN A 17 -6.063 -18.757 -4.205 1.00 0.00 O ATOM 227 CB ASN A 17 -4.638 -17.865 -6.744 1.00 0.00 C ATOM 228 CG ASN A 17 -5.002 -18.717 -7.945 1.00 0.00 C ATOM 229 OD1 ASN A 17 -5.679 -19.737 -7.815 1.00 0.00 O ATOM 230 ND2 ASN A 17 -4.551 -18.304 -9.124 1.00 0.00 N ATOM 0 H ASN A 17 -5.074 -15.320 -5.925 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.770 -17.676 -6.518 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.966 -17.066 -7.058 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.094 -18.473 -6.021 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.763 -18.838 -9.967 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.993 -17.452 -9.187 1.00 0.00 H new ATOM 237 N HIS A 18 -5.691 -16.590 -3.728 1.00 0.00 N ATOM 238 CA HIS A 18 -5.700 -16.804 -2.285 1.00 0.00 C ATOM 239 C HIS A 18 -6.620 -15.796 -1.600 1.00 0.00 C ATOM 240 O HIS A 18 -6.179 -14.723 -1.184 1.00 0.00 O ATOM 241 CB HIS A 18 -4.292 -16.688 -1.694 1.00 0.00 C ATOM 242 CG HIS A 18 -3.326 -17.733 -2.161 1.00 0.00 C ATOM 243 ND1 HIS A 18 -2.188 -17.432 -2.878 1.00 0.00 N ATOM 244 CD2 HIS A 18 -3.300 -19.075 -1.967 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.503 -18.538 -3.104 1.00 0.00 C ATOM 246 NE2 HIS A 18 -2.159 -19.550 -2.565 1.00 0.00 N ATOM 0 H HIS A 18 -5.535 -15.623 -4.012 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.070 -17.814 -2.108 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.890 -15.705 -1.941 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.364 -16.740 -0.608 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.917 -16.498 -3.187 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.039 -19.661 -1.440 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.567 -18.604 -3.638 1.00 0.00 H new ATOM 255 N PRO A 19 -7.915 -16.125 -1.467 1.00 0.00 N ATOM 256 CA PRO A 19 -8.885 -15.238 -0.823 1.00 0.00 C ATOM 257 C PRO A 19 -8.503 -14.935 0.620 1.00 0.00 C ATOM 258 O PRO A 19 -8.725 -13.831 1.115 1.00 0.00 O ATOM 259 CB PRO A 19 -10.202 -16.025 -0.881 1.00 0.00 C ATOM 260 CG PRO A 19 -9.803 -17.441 -1.126 1.00 0.00 C ATOM 261 CD PRO A 19 -8.531 -17.382 -1.920 1.00 0.00 C ATOM 0 HA PRO A 19 -8.944 -14.269 -1.318 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.759 -15.929 0.051 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.847 -15.654 -1.678 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.652 -17.972 -0.186 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.580 -17.976 -1.673 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.890 -18.241 -1.719 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.725 -17.373 -2.993 1.00 0.00 H new ATOM 269 N ASP A 20 -7.925 -15.928 1.287 1.00 0.00 N ATOM 270 CA ASP A 20 -7.508 -15.775 2.674 1.00 0.00 C ATOM 271 C ASP A 20 -6.180 -15.025 2.768 1.00 0.00 C ATOM 272 O ASP A 20 -5.918 -14.333 3.751 1.00 0.00 O ATOM 273 CB ASP A 20 -7.385 -17.146 3.343 1.00 0.00 C ATOM 274 CG ASP A 20 -8.259 -17.269 4.575 1.00 0.00 C ATOM 275 OD1 ASP A 20 -8.613 -16.222 5.158 1.00 0.00 O ATOM 276 OD2 ASP A 20 -8.590 -18.411 4.957 1.00 0.00 O ATOM 0 H ASP A 20 -7.735 -16.847 0.888 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.267 -15.191 3.194 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.659 -17.922 2.628 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.345 -17.320 3.620 1.00 0.00 H new ATOM 281 N ALA A 21 -5.347 -15.169 1.743 1.00 0.00 N ATOM 282 CA ALA A 21 -4.048 -14.505 1.717 1.00 0.00 C ATOM 283 C ALA A 21 -4.191 -13.038 1.375 1.00 0.00 C ATOM 284 O ALA A 21 -4.343 -12.645 0.218 1.00 0.00 O ATOM 285 CB ALA A 21 -3.107 -15.212 0.761 1.00 0.00 C ATOM 0 H ALA A 21 -5.547 -15.738 0.921 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.614 -14.562 2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.144 -14.702 0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.969 -16.244 1.083 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.531 -15.198 -0.243 1.00 0.00 H new ATOM 291 N ILE A 22 -4.184 -12.273 2.426 1.00 0.00 N ATOM 292 CA ILE A 22 -4.356 -10.847 2.338 1.00 0.00 C ATOM 293 C ILE A 22 -3.079 -10.096 1.955 1.00 0.00 C ATOM 294 O ILE A 22 -2.451 -9.450 2.794 1.00 0.00 O ATOM 295 CB ILE A 22 -4.926 -10.285 3.645 1.00 0.00 C ATOM 296 CG1 ILE A 22 -5.050 -11.360 4.732 1.00 0.00 C ATOM 297 CG2 ILE A 22 -6.277 -9.667 3.364 1.00 0.00 C ATOM 298 CD1 ILE A 22 -5.636 -10.847 6.031 1.00 0.00 C ATOM 0 H ILE A 22 -4.058 -12.620 3.377 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.067 -10.684 1.528 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.236 -9.530 4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.673 -12.172 4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.064 -11.780 4.929 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.692 -9.264 4.288 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.165 -8.864 2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.949 -10.427 2.966 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.693 -11.663 6.752 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.001 -10.055 6.429 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.636 -10.453 5.849 1.00 0.00 H new ATOM 310 N LEU A 23 -2.719 -10.189 0.664 1.00 0.00 N ATOM 311 CA LEU A 23 -1.530 -9.516 0.120 1.00 0.00 C ATOM 312 C LEU A 23 -1.108 -8.364 1.013 1.00 0.00 C ATOM 313 O LEU A 23 -1.724 -7.304 1.012 1.00 0.00 O ATOM 314 CB LEU A 23 -1.796 -8.973 -1.287 1.00 0.00 C ATOM 315 CG LEU A 23 -1.430 -9.906 -2.439 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.657 -10.695 -2.869 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.856 -9.109 -3.605 1.00 0.00 C ATOM 0 H LEU A 23 -3.240 -10.729 -0.027 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.733 -10.258 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.855 -8.726 -1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.242 -8.042 -1.408 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.666 -10.608 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.392 -11.360 -3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.023 -11.285 -2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.436 -10.006 -3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.600 -9.788 -4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.596 -8.389 -3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.039 -8.580 -3.278 1.00 0.00 H new ATOM 329 N VAL A 24 -0.074 -8.584 1.791 1.00 0.00 N ATOM 330 CA VAL A 24 0.407 -7.570 2.701 1.00 0.00 C ATOM 331 C VAL A 24 1.091 -6.437 1.949 1.00 0.00 C ATOM 332 O VAL A 24 1.378 -6.552 0.760 1.00 0.00 O ATOM 333 CB VAL A 24 1.343 -8.191 3.745 1.00 0.00 C ATOM 334 CG1 VAL A 24 1.525 -7.262 4.935 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.776 -9.537 4.176 1.00 0.00 C ATOM 0 H VAL A 24 0.452 -9.458 1.812 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.449 -7.143 3.223 1.00 0.00 H new ATOM 0 HB VAL A 24 2.329 -8.342 3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.193 -7.726 5.660 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.955 -6.319 4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.558 -7.074 5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.434 -9.988 4.919 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.214 -9.393 4.608 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.702 -10.195 3.310 1.00 0.00 H new ATOM 345 N GLU A 25 1.315 -5.336 2.646 1.00 0.00 N ATOM 346 CA GLU A 25 1.916 -4.175 2.060 1.00 0.00 C ATOM 347 C GLU A 25 3.415 -4.302 2.042 1.00 0.00 C ATOM 348 O GLU A 25 4.042 -4.755 3.001 1.00 0.00 O ATOM 349 CB GLU A 25 1.493 -2.911 2.811 1.00 0.00 C ATOM 350 CG GLU A 25 0.306 -2.202 2.179 1.00 0.00 C ATOM 351 CD GLU A 25 0.699 -1.364 0.977 1.00 0.00 C ATOM 352 OE1 GLU A 25 1.231 -0.252 1.178 1.00 0.00 O ATOM 353 OE2 GLU A 25 0.474 -1.820 -0.163 1.00 0.00 O ATOM 0 H GLU A 25 1.081 -5.233 3.634 1.00 0.00 H new ATOM 0 HA GLU A 25 1.568 -4.095 1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.244 -3.174 3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.337 -2.223 2.854 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.435 -2.942 1.875 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.169 -1.563 2.923 1.00 0.00 H new ATOM 360 N ASP A 26 3.968 -3.874 0.943 1.00 0.00 N ATOM 361 CA ASP A 26 5.385 -3.883 0.725 1.00 0.00 C ATOM 362 C ASP A 26 6.039 -5.249 0.905 1.00 0.00 C ATOM 363 O ASP A 26 6.433 -5.624 2.009 1.00 0.00 O ATOM 364 CB ASP A 26 6.072 -2.846 1.607 1.00 0.00 C ATOM 365 CG ASP A 26 5.404 -1.486 1.529 1.00 0.00 C ATOM 366 OD1 ASP A 26 4.824 -1.170 0.470 1.00 0.00 O ATOM 367 OD2 ASP A 26 5.464 -0.737 2.527 1.00 0.00 O ATOM 0 H ASP A 26 3.434 -3.501 0.158 1.00 0.00 H new ATOM 0 HA ASP A 26 5.520 -3.624 -0.325 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.067 -3.192 2.641 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.116 -2.753 1.308 1.00 0.00 H new ATOM 372 N TYR A 27 6.190 -5.972 -0.207 1.00 0.00 N ATOM 373 CA TYR A 27 6.842 -7.275 -0.192 1.00 0.00 C ATOM 374 C TYR A 27 8.289 -7.108 0.234 1.00 0.00 C ATOM 375 O TYR A 27 9.166 -6.890 -0.602 1.00 0.00 O ATOM 376 CB TYR A 27 6.794 -7.919 -1.585 1.00 0.00 C ATOM 377 CG TYR A 27 7.883 -8.947 -1.830 1.00 0.00 C ATOM 378 CD1 TYR A 27 8.205 -9.890 -0.862 1.00 0.00 C ATOM 379 CD2 TYR A 27 8.589 -8.965 -3.026 1.00 0.00 C ATOM 380 CE1 TYR A 27 9.199 -10.824 -1.081 1.00 0.00 C ATOM 381 CE2 TYR A 27 9.586 -9.896 -3.251 1.00 0.00 C ATOM 382 CZ TYR A 27 9.886 -10.823 -2.276 1.00 0.00 C ATOM 383 OH TYR A 27 10.878 -11.751 -2.496 1.00 0.00 O ATOM 0 H TYR A 27 5.868 -5.673 -1.128 1.00 0.00 H new ATOM 0 HA TYR A 27 6.317 -7.921 0.512 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.823 -8.395 -1.720 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.873 -7.135 -2.339 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.670 -9.893 0.076 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.356 -8.240 -3.792 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.437 -11.552 -0.319 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.127 -9.897 -4.186 1.00 0.00 H new ATOM 0 HH TYR A 27 11.262 -11.614 -3.387 1.00 0.00 H new ATOM 393 N ARG A 28 8.544 -7.194 1.533 1.00 0.00 N ATOM 394 CA ARG A 28 9.899 -7.033 2.032 1.00 0.00 C ATOM 395 C ARG A 28 10.466 -5.701 1.553 1.00 0.00 C ATOM 396 O ARG A 28 11.610 -5.622 1.106 1.00 0.00 O ATOM 397 CB ARG A 28 10.773 -8.187 1.538 1.00 0.00 C ATOM 398 CG ARG A 28 12.093 -8.314 2.283 1.00 0.00 C ATOM 399 CD ARG A 28 13.223 -8.727 1.353 1.00 0.00 C ATOM 400 NE ARG A 28 13.635 -7.636 0.471 1.00 0.00 N ATOM 401 CZ ARG A 28 13.220 -7.493 -0.788 1.00 0.00 C ATOM 402 NH1 ARG A 28 12.376 -8.365 -1.326 1.00 0.00 N ATOM 403 NH2 ARG A 28 13.652 -6.470 -1.513 1.00 0.00 N ATOM 0 H ARG A 28 7.840 -7.372 2.250 1.00 0.00 H new ATOM 0 HA ARG A 28 9.887 -7.042 3.122 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.218 -9.120 1.637 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.977 -8.049 0.476 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.338 -7.362 2.754 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.991 -9.049 3.082 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.077 -9.057 1.945 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.904 -9.578 0.752 1.00 0.00 H new ATOM 0 HE ARG A 28 14.281 -6.940 0.843 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.038 -9.154 -0.775 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.065 -8.246 -2.290 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.300 -5.795 -1.107 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.336 -6.358 -2.476 1.00 0.00 H new ATOM 417 N ALA A 29 9.632 -4.663 1.632 1.00 0.00 N ATOM 418 CA ALA A 29 10.000 -3.318 1.191 1.00 0.00 C ATOM 419 C ALA A 29 9.696 -3.144 -0.294 1.00 0.00 C ATOM 420 O ALA A 29 10.413 -2.447 -1.010 1.00 0.00 O ATOM 421 CB ALA A 29 11.469 -3.023 1.478 1.00 0.00 C ATOM 0 H ALA A 29 8.684 -4.731 2.003 1.00 0.00 H new ATOM 0 HA ALA A 29 9.402 -2.603 1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.711 -2.016 1.138 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.653 -3.099 2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.094 -3.744 0.951 1.00 0.00 H new ATOM 427 N GLY A 30 8.622 -3.792 -0.746 1.00 0.00 N ATOM 428 CA GLY A 30 8.228 -3.706 -2.142 1.00 0.00 C ATOM 429 C GLY A 30 6.757 -3.362 -2.316 1.00 0.00 C ATOM 430 O GLY A 30 6.267 -2.392 -1.737 1.00 0.00 O ATOM 0 H GLY A 30 8.018 -4.376 -0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.835 -2.951 -2.641 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.435 -4.657 -2.633 1.00 0.00 H new ATOM 434 N ASP A 31 6.058 -4.155 -3.125 1.00 0.00 N ATOM 435 CA ASP A 31 4.634 -3.937 -3.387 1.00 0.00 C ATOM 436 C ASP A 31 3.780 -4.808 -2.457 1.00 0.00 C ATOM 437 O ASP A 31 4.149 -5.045 -1.312 1.00 0.00 O ATOM 438 CB ASP A 31 4.297 -4.210 -4.864 1.00 0.00 C ATOM 439 CG ASP A 31 5.455 -3.941 -5.814 1.00 0.00 C ATOM 440 OD1 ASP A 31 6.556 -3.589 -5.341 1.00 0.00 O ATOM 441 OD2 ASP A 31 5.258 -4.088 -7.038 1.00 0.00 O ATOM 0 H ASP A 31 6.455 -4.958 -3.613 1.00 0.00 H new ATOM 0 HA ASP A 31 4.404 -2.891 -3.183 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.985 -5.249 -4.970 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.448 -3.591 -5.155 1.00 0.00 H new ATOM 446 N MET A 32 2.634 -5.273 -2.944 1.00 0.00 N ATOM 447 CA MET A 32 1.734 -6.098 -2.148 1.00 0.00 C ATOM 448 C MET A 32 2.100 -7.578 -2.240 1.00 0.00 C ATOM 449 O MET A 32 2.097 -8.169 -3.310 1.00 0.00 O ATOM 450 CB MET A 32 0.315 -5.880 -2.634 1.00 0.00 C ATOM 451 CG MET A 32 -0.258 -4.528 -2.240 1.00 0.00 C ATOM 452 SD MET A 32 -2.022 -4.598 -1.875 1.00 0.00 S ATOM 453 CE MET A 32 -2.710 -3.963 -3.402 1.00 0.00 C ATOM 0 H MET A 32 2.306 -5.091 -3.892 1.00 0.00 H new ATOM 0 HA MET A 32 1.823 -5.806 -1.102 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.293 -5.973 -3.720 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.323 -6.667 -2.233 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.275 -4.153 -1.366 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.086 -3.816 -3.048 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.798 -3.945 -3.331 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.341 -2.952 -3.575 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.411 -4.605 -4.231 1.00 0.00 H new ATOM 463 N ILE A 33 2.477 -8.150 -1.115 1.00 0.00 N ATOM 464 CA ILE A 33 2.918 -9.532 -1.058 1.00 0.00 C ATOM 465 C ILE A 33 1.855 -10.467 -0.501 1.00 0.00 C ATOM 466 O ILE A 33 1.407 -10.316 0.632 1.00 0.00 O ATOM 467 CB ILE A 33 4.197 -9.592 -0.194 1.00 0.00 C ATOM 468 CG1 ILE A 33 5.054 -10.804 -0.533 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.849 -9.578 1.282 1.00 0.00 C ATOM 470 CD1 ILE A 33 4.362 -12.113 -0.270 1.00 0.00 C ATOM 0 H ILE A 33 2.487 -7.672 -0.214 1.00 0.00 H new ATOM 0 HA ILE A 33 3.118 -9.874 -2.073 1.00 0.00 H new ATOM 0 HB ILE A 33 4.785 -8.703 -0.421 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.339 -10.756 -1.584 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.975 -10.764 0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.764 -9.621 1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.307 -8.663 1.519 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.225 -10.440 1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.027 -12.935 -0.533 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.101 -12.181 0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.456 -12.173 -0.873 1.00 0.00 H new ATOM 482 N CYS A 34 1.485 -11.460 -1.301 1.00 0.00 N ATOM 483 CA CYS A 34 0.512 -12.448 -0.882 1.00 0.00 C ATOM 484 C CYS A 34 1.235 -13.562 -0.143 1.00 0.00 C ATOM 485 O CYS A 34 1.757 -14.469 -0.776 1.00 0.00 O ATOM 486 CB CYS A 34 -0.213 -13.028 -2.094 1.00 0.00 C ATOM 487 SG CYS A 34 -1.289 -14.424 -1.721 1.00 0.00 S ATOM 0 H CYS A 34 1.848 -11.598 -2.244 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.223 -11.977 -0.230 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.807 -12.241 -2.557 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.528 -13.342 -2.829 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.285 -14.440 -2.556 1.00 0.00 H new ATOM 493 N PRO A 35 1.269 -13.523 1.200 1.00 0.00 N ATOM 494 CA PRO A 35 1.949 -14.531 2.022 1.00 0.00 C ATOM 495 C PRO A 35 1.742 -15.966 1.545 1.00 0.00 C ATOM 496 O PRO A 35 2.460 -16.872 1.969 1.00 0.00 O ATOM 497 CB PRO A 35 1.338 -14.336 3.420 1.00 0.00 C ATOM 498 CG PRO A 35 0.269 -13.304 3.260 1.00 0.00 C ATOM 499 CD PRO A 35 0.637 -12.508 2.043 1.00 0.00 C ATOM 0 HA PRO A 35 3.030 -14.394 1.983 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.925 -15.271 3.799 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.093 -14.008 4.134 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.708 -13.771 3.139 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.210 -12.664 4.141 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.237 -12.066 1.564 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.319 -11.691 2.280 1.00 0.00 H new ATOM 507 N GLU A 36 0.759 -16.181 0.690 1.00 0.00 N ATOM 508 CA GLU A 36 0.464 -17.511 0.198 1.00 0.00 C ATOM 509 C GLU A 36 1.313 -17.835 -1.025 1.00 0.00 C ATOM 510 O GLU A 36 2.205 -18.675 -0.963 1.00 0.00 O ATOM 511 CB GLU A 36 -1.023 -17.621 -0.126 1.00 0.00 C ATOM 512 CG GLU A 36 -1.863 -18.167 1.016 1.00 0.00 C ATOM 513 CD GLU A 36 -1.462 -19.569 1.413 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.473 -19.708 2.155 1.00 0.00 O ATOM 515 OE2 GLU A 36 -2.137 -20.527 0.983 1.00 0.00 O ATOM 0 H GLU A 36 0.151 -15.449 0.322 1.00 0.00 H new ATOM 0 HA GLU A 36 0.709 -18.238 0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.399 -16.636 -0.402 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.149 -18.265 -0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.769 -17.508 1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.913 -18.162 0.724 1.00 0.00 H new ATOM 522 N CYS A 37 1.088 -17.122 -2.117 1.00 0.00 N ATOM 523 CA CYS A 37 1.890 -17.322 -3.321 1.00 0.00 C ATOM 524 C CYS A 37 3.069 -16.380 -3.257 1.00 0.00 C ATOM 525 O CYS A 37 4.078 -16.556 -3.934 1.00 0.00 O ATOM 526 CB CYS A 37 1.084 -17.054 -4.601 1.00 0.00 C ATOM 527 SG CYS A 37 0.083 -15.550 -4.556 1.00 0.00 S ATOM 0 H CYS A 37 0.366 -16.406 -2.198 1.00 0.00 H new ATOM 0 HA CYS A 37 2.216 -18.361 -3.358 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.774 -16.991 -5.443 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.429 -17.905 -4.788 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.328 -15.338 -3.341 1.00 0.00 H new ATOM 533 N GLY A 38 2.899 -15.369 -2.421 1.00 0.00 N ATOM 534 CA GLY A 38 3.894 -14.360 -2.217 1.00 0.00 C ATOM 535 C GLY A 38 4.093 -13.511 -3.444 1.00 0.00 C ATOM 536 O GLY A 38 5.203 -13.078 -3.750 1.00 0.00 O ATOM 0 H GLY A 38 2.054 -15.235 -1.865 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.601 -13.726 -1.380 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.838 -14.831 -1.945 1.00 0.00 H new ATOM 540 N LEU A 39 2.993 -13.272 -4.136 1.00 0.00 N ATOM 541 CA LEU A 39 2.987 -12.464 -5.338 1.00 0.00 C ATOM 542 C LEU A 39 3.135 -10.994 -4.974 1.00 0.00 C ATOM 543 O LEU A 39 2.731 -10.584 -3.885 1.00 0.00 O ATOM 544 CB LEU A 39 1.671 -12.676 -6.074 1.00 0.00 C ATOM 545 CG LEU A 39 0.529 -11.797 -5.568 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.347 -10.614 -6.484 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.763 -12.579 -5.440 1.00 0.00 C ATOM 0 H LEU A 39 2.076 -13.636 -3.877 1.00 0.00 H new ATOM 0 HA LEU A 39 3.820 -12.758 -5.977 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.824 -12.480 -7.135 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.379 -13.722 -5.982 1.00 0.00 H new ATOM 0 HG LEU A 39 0.792 -11.440 -4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.469 -9.992 -6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.266 -10.029 -6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.112 -10.965 -7.489 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.552 -11.921 -5.077 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.044 -12.980 -6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.623 -13.400 -4.736 1.00 0.00 H new ATOM 559 N VAL A 40 3.732 -10.212 -5.866 1.00 0.00 N ATOM 560 CA VAL A 40 3.945 -8.801 -5.605 1.00 0.00 C ATOM 561 C VAL A 40 3.172 -7.914 -6.572 1.00 0.00 C ATOM 562 O VAL A 40 3.441 -7.901 -7.774 1.00 0.00 O ATOM 563 CB VAL A 40 5.441 -8.448 -5.680 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.681 -7.016 -5.237 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.261 -9.416 -4.840 1.00 0.00 C ATOM 0 H VAL A 40 4.074 -10.533 -6.772 1.00 0.00 H new ATOM 0 HA VAL A 40 3.574 -8.613 -4.597 1.00 0.00 H new ATOM 0 HB VAL A 40 5.761 -8.538 -6.718 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.745 -6.790 -5.299 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.128 -6.337 -5.886 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.343 -6.892 -4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.316 -9.151 -4.905 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.937 -9.361 -3.801 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.118 -10.431 -5.211 1.00 0.00 H new ATOM 575 N VAL A 41 2.232 -7.146 -6.030 1.00 0.00 N ATOM 576 CA VAL A 41 1.440 -6.220 -6.830 1.00 0.00 C ATOM 577 C VAL A 41 1.580 -4.809 -6.280 1.00 0.00 C ATOM 578 O VAL A 41 1.459 -4.595 -5.077 1.00 0.00 O ATOM 579 CB VAL A 41 -0.065 -6.565 -6.835 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.859 -5.524 -7.614 1.00 0.00 C ATOM 581 CG2 VAL A 41 -0.310 -7.946 -7.403 1.00 0.00 C ATOM 0 H VAL A 41 2.000 -7.147 -5.037 1.00 0.00 H new ATOM 0 HA VAL A 41 1.821 -6.298 -7.848 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.407 -6.558 -5.800 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.916 -5.789 -7.603 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.726 -4.545 -7.153 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.504 -5.492 -8.644 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.379 -8.159 -7.393 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.059 -7.989 -8.428 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.213 -8.686 -6.798 1.00 0.00 H new ATOM 591 N GLY A 42 1.818 -3.848 -7.156 1.00 0.00 N ATOM 592 CA GLY A 42 1.951 -2.483 -6.715 1.00 0.00 C ATOM 593 C GLY A 42 3.253 -1.874 -7.171 1.00 0.00 C ATOM 594 O GLY A 42 3.869 -2.352 -8.121 1.00 0.00 O ATOM 0 H GLY A 42 1.921 -3.990 -8.161 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.119 -1.893 -7.100 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.892 -2.445 -5.627 1.00 0.00 H new ATOM 598 N ASP A 43 3.678 -0.822 -6.495 1.00 0.00 N ATOM 599 CA ASP A 43 4.917 -0.153 -6.844 1.00 0.00 C ATOM 600 C ASP A 43 4.833 0.435 -8.250 1.00 0.00 C ATOM 601 O ASP A 43 5.308 -0.166 -9.214 1.00 0.00 O ATOM 602 CB ASP A 43 6.098 -1.123 -6.748 1.00 0.00 C ATOM 603 CG ASP A 43 7.422 -0.462 -7.077 1.00 0.00 C ATOM 604 OD1 ASP A 43 7.563 0.054 -8.206 1.00 0.00 O ATOM 605 OD2 ASP A 43 8.318 -0.460 -6.207 1.00 0.00 O ATOM 0 H ASP A 43 3.184 -0.413 -5.702 1.00 0.00 H new ATOM 0 HA ASP A 43 5.075 0.660 -6.136 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.143 -1.537 -5.741 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.934 -1.958 -7.429 1.00 0.00 H new ATOM 610 N ARG A 44 4.214 1.607 -8.362 1.00 0.00 N ATOM 611 CA ARG A 44 4.058 2.266 -9.655 1.00 0.00 C ATOM 612 C ARG A 44 4.928 3.518 -9.751 1.00 0.00 C ATOM 613 O ARG A 44 5.910 3.545 -10.493 1.00 0.00 O ATOM 614 CB ARG A 44 2.589 2.630 -9.891 1.00 0.00 C ATOM 615 CG ARG A 44 1.620 1.524 -9.507 1.00 0.00 C ATOM 616 CD ARG A 44 0.181 2.018 -9.488 1.00 0.00 C ATOM 617 NE ARG A 44 0.023 3.228 -8.681 1.00 0.00 N ATOM 618 CZ ARG A 44 0.096 4.466 -9.170 1.00 0.00 C ATOM 619 NH1 ARG A 44 0.347 4.669 -10.457 1.00 0.00 N ATOM 620 NH2 ARG A 44 -0.077 5.506 -8.365 1.00 0.00 N ATOM 0 H ARG A 44 3.813 2.119 -7.576 1.00 0.00 H new ATOM 0 HA ARG A 44 4.384 1.568 -10.426 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.349 3.527 -9.320 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.449 2.876 -10.944 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.712 0.698 -10.213 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.884 1.134 -8.524 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.146 2.218 -10.508 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.465 1.234 -9.094 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.154 3.118 -7.683 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.486 3.874 -11.081 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.401 5.620 -10.822 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.266 5.358 -7.374 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.021 6.454 -8.737 1.00 0.00 H new ATOM 634 N VAL A 45 4.562 4.554 -9.002 1.00 0.00 N ATOM 635 CA VAL A 45 5.311 5.806 -9.014 1.00 0.00 C ATOM 636 C VAL A 45 5.101 6.587 -7.718 1.00 0.00 C ATOM 637 O VAL A 45 4.246 6.239 -6.903 1.00 0.00 O ATOM 638 CB VAL A 45 4.911 6.681 -10.225 1.00 0.00 C ATOM 639 CG1 VAL A 45 3.620 7.442 -9.952 1.00 0.00 C ATOM 640 CG2 VAL A 45 6.036 7.638 -10.593 1.00 0.00 C ATOM 0 H VAL A 45 3.753 4.551 -8.381 1.00 0.00 H new ATOM 0 HA VAL A 45 6.367 5.552 -9.100 1.00 0.00 H new ATOM 0 HB VAL A 45 4.734 6.019 -11.073 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.364 8.048 -10.821 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.815 6.734 -9.754 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.755 8.089 -9.085 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.734 8.244 -11.447 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.252 8.288 -9.745 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.929 7.068 -10.850 1.00 0.00 H new ATOM 650 N ILE A 46 5.887 7.645 -7.531 1.00 0.00 N ATOM 651 CA ILE A 46 5.785 8.471 -6.335 1.00 0.00 C ATOM 652 C ILE A 46 5.323 9.885 -6.679 1.00 0.00 C ATOM 653 O ILE A 46 5.902 10.548 -7.539 1.00 0.00 O ATOM 654 CB ILE A 46 7.133 8.546 -5.591 1.00 0.00 C ATOM 655 CG1 ILE A 46 7.645 7.138 -5.282 1.00 0.00 C ATOM 656 CG2 ILE A 46 6.993 9.357 -4.310 1.00 0.00 C ATOM 657 CD1 ILE A 46 9.143 7.068 -5.088 1.00 0.00 C ATOM 0 H ILE A 46 6.601 7.949 -8.193 1.00 0.00 H new ATOM 0 HA ILE A 46 5.046 8.001 -5.686 1.00 0.00 H new ATOM 0 HB ILE A 46 7.857 9.046 -6.234 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.153 6.771 -4.381 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.361 6.470 -6.095 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.955 9.399 -3.799 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.667 10.368 -4.553 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.256 8.885 -3.659 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.434 6.040 -4.872 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.644 7.404 -5.996 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.432 7.709 -4.256 1.00 0.00 H new ATOM 669 N ASP A 47 4.277 10.339 -5.995 1.00 0.00 N ATOM 670 CA ASP A 47 3.733 11.673 -6.222 1.00 0.00 C ATOM 671 C ASP A 47 2.567 11.953 -5.279 1.00 0.00 C ATOM 672 O ASP A 47 2.420 13.064 -4.771 1.00 0.00 O ATOM 673 CB ASP A 47 3.276 11.821 -7.675 1.00 0.00 C ATOM 674 CG ASP A 47 2.165 10.852 -8.033 1.00 0.00 C ATOM 675 OD1 ASP A 47 2.432 9.634 -8.082 1.00 0.00 O ATOM 676 OD2 ASP A 47 1.027 11.314 -8.266 1.00 0.00 O ATOM 0 H ASP A 47 3.789 9.802 -5.278 1.00 0.00 H new ATOM 0 HA ASP A 47 4.522 12.398 -6.021 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.932 12.842 -7.843 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.125 11.657 -8.339 1.00 0.00 H new ATOM 681 N VAL A 48 1.740 10.937 -5.051 1.00 0.00 N ATOM 682 CA VAL A 48 0.585 11.072 -4.169 1.00 0.00 C ATOM 683 C VAL A 48 1.003 11.545 -2.779 1.00 0.00 C ATOM 684 O VAL A 48 0.258 12.256 -2.105 1.00 0.00 O ATOM 685 CB VAL A 48 -0.182 9.741 -4.043 1.00 0.00 C ATOM 686 CG1 VAL A 48 0.711 8.661 -3.449 1.00 0.00 C ATOM 687 CG2 VAL A 48 -1.440 9.923 -3.205 1.00 0.00 C ATOM 0 H VAL A 48 1.848 10.011 -5.465 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.071 11.819 -4.617 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.482 9.423 -5.042 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.151 7.729 -3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.577 8.509 -4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.046 8.970 -2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.967 8.972 -3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.166 10.268 -2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.089 10.660 -3.678 1.00 0.00 H new ATOM 697 N GLY A 49 2.199 11.145 -2.358 1.00 0.00 N ATOM 698 CA GLY A 49 2.692 11.538 -1.052 1.00 0.00 C ATOM 699 C GLY A 49 3.446 12.853 -1.087 1.00 0.00 C ATOM 700 O GLY A 49 4.673 12.876 -0.990 1.00 0.00 O ATOM 0 H GLY A 49 2.834 10.557 -2.898 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.853 11.622 -0.361 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.347 10.758 -0.665 1.00 0.00 H new ATOM 704 N SER A 50 2.711 13.951 -1.228 1.00 0.00 N ATOM 705 CA SER A 50 3.319 15.276 -1.277 1.00 0.00 C ATOM 706 C SER A 50 2.252 16.366 -1.268 1.00 0.00 C ATOM 707 O SER A 50 1.952 16.964 -2.301 1.00 0.00 O ATOM 708 CB SER A 50 4.195 15.413 -2.523 1.00 0.00 C ATOM 709 OG SER A 50 4.879 16.654 -2.532 1.00 0.00 O ATOM 0 H SER A 50 1.694 13.950 -1.310 1.00 0.00 H new ATOM 0 HA SER A 50 3.941 15.395 -0.390 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.916 14.596 -2.556 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.577 15.328 -3.417 1.00 0.00 H new ATOM 0 HG SER A 50 5.433 16.716 -3.338 1.00 0.00 H new ATOM 715 N GLU A 51 1.684 16.622 -0.093 1.00 0.00 N ATOM 716 CA GLU A 51 0.653 17.644 0.052 1.00 0.00 C ATOM 717 C GLU A 51 1.266 18.968 0.497 1.00 0.00 C ATOM 718 O GLU A 51 2.229 18.991 1.261 1.00 0.00 O ATOM 719 CB GLU A 51 -0.407 17.190 1.058 1.00 0.00 C ATOM 720 CG GLU A 51 -1.732 16.810 0.416 1.00 0.00 C ATOM 721 CD GLU A 51 -2.921 17.135 1.298 1.00 0.00 C ATOM 722 OE1 GLU A 51 -2.935 18.232 1.895 1.00 0.00 O ATOM 723 OE2 GLU A 51 -3.838 16.293 1.391 1.00 0.00 O ATOM 0 H GLU A 51 1.920 16.136 0.772 1.00 0.00 H new ATOM 0 HA GLU A 51 0.178 17.792 -0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.024 16.335 1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.578 17.990 1.779 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.835 17.334 -0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.731 15.743 0.193 1.00 0.00 H new ATOM 730 N TRP A 52 0.702 20.070 0.012 1.00 0.00 N ATOM 731 CA TRP A 52 1.198 21.396 0.361 1.00 0.00 C ATOM 732 C TRP A 52 1.048 21.656 1.862 1.00 0.00 C ATOM 733 O TRP A 52 1.956 21.362 2.639 1.00 0.00 O ATOM 734 CB TRP A 52 0.468 22.468 -0.455 1.00 0.00 C ATOM 735 CG TRP A 52 0.902 23.865 -0.130 1.00 0.00 C ATOM 736 CD1 TRP A 52 2.139 24.406 -0.331 1.00 0.00 C ATOM 737 CD2 TRP A 52 0.100 24.899 0.452 1.00 0.00 C ATOM 738 NE1 TRP A 52 2.156 25.713 0.092 1.00 0.00 N ATOM 739 CE2 TRP A 52 0.917 26.040 0.576 1.00 0.00 C ATOM 740 CE3 TRP A 52 -1.229 24.972 0.881 1.00 0.00 C ATOM 741 CZ2 TRP A 52 0.447 27.237 1.110 1.00 0.00 C ATOM 742 CZ3 TRP A 52 -1.693 26.162 1.410 1.00 0.00 C ATOM 743 CH2 TRP A 52 -0.857 27.280 1.520 1.00 0.00 C ATOM 0 H TRP A 52 -0.097 20.071 -0.622 1.00 0.00 H new ATOM 0 HA TRP A 52 2.260 21.442 0.119 1.00 0.00 H new ATOM 0 HB2 TRP A 52 0.634 22.282 -1.516 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -0.604 22.379 -0.280 1.00 0.00 H new ATOM 0 HD1 TRP A 52 2.981 23.883 -0.760 1.00 0.00 H new ATOM 0 HE1 TRP A 52 2.961 26.338 0.052 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -1.881 24.115 0.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 1.089 28.101 1.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -2.718 26.231 1.744 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.250 28.195 1.937 1.00 0.00 H new ATOM 754 N ARG A 53 -0.102 22.203 2.267 1.00 0.00 N ATOM 755 CA ARG A 53 -0.366 22.495 3.677 1.00 0.00 C ATOM 756 C ARG A 53 0.853 23.114 4.360 1.00 0.00 C ATOM 757 O ARG A 53 1.711 22.403 4.881 1.00 0.00 O ATOM 758 CB ARG A 53 -0.784 21.219 4.411 1.00 0.00 C ATOM 759 CG ARG A 53 -1.923 21.431 5.395 1.00 0.00 C ATOM 760 CD ARG A 53 -1.407 21.626 6.812 1.00 0.00 C ATOM 761 NE ARG A 53 -2.285 21.012 7.804 1.00 0.00 N ATOM 762 CZ ARG A 53 -2.045 21.022 9.114 1.00 0.00 C ATOM 763 NH1 ARG A 53 -0.957 21.613 9.592 1.00 0.00 N ATOM 764 NH2 ARG A 53 -2.897 20.440 9.948 1.00 0.00 N ATOM 0 H ARG A 53 -0.865 22.452 1.637 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.179 23.220 3.719 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.082 20.469 3.678 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.077 20.818 4.945 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.506 22.302 5.096 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.594 20.573 5.366 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.409 21.197 6.896 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.314 22.692 7.020 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.132 20.548 7.474 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.299 22.063 8.955 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.779 21.617 10.596 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.735 19.985 9.586 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.714 20.447 10.951 1.00 0.00 H new ATOM 778 N THR A 54 0.920 24.441 4.353 1.00 0.00 N ATOM 779 CA THR A 54 2.034 25.152 4.973 1.00 0.00 C ATOM 780 C THR A 54 1.669 25.617 6.379 1.00 0.00 C ATOM 781 O THR A 54 0.502 25.877 6.674 1.00 0.00 O ATOM 782 CB THR A 54 2.439 26.352 4.116 1.00 0.00 C ATOM 783 OG1 THR A 54 2.618 25.965 2.765 1.00 0.00 O ATOM 784 CG2 THR A 54 3.720 27.012 4.580 1.00 0.00 C ATOM 0 H THR A 54 0.218 25.046 3.926 1.00 0.00 H new ATOM 0 HA THR A 54 2.876 24.464 5.045 1.00 0.00 H new ATOM 0 HB THR A 54 1.624 27.069 4.216 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.106 26.564 2.182 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.951 27.856 3.930 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.597 27.366 5.604 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.536 26.290 4.541 1.00 0.00 H new ATOM 792 N PHE A 55 2.673 25.721 7.244 1.00 0.00 N ATOM 793 CA PHE A 55 2.454 26.157 8.618 1.00 0.00 C ATOM 794 C PHE A 55 2.533 27.678 8.724 1.00 0.00 C ATOM 795 O PHE A 55 3.608 28.265 8.605 1.00 0.00 O ATOM 796 CB PHE A 55 3.478 25.509 9.556 1.00 0.00 C ATOM 797 CG PHE A 55 4.893 25.958 9.316 1.00 0.00 C ATOM 798 CD1 PHE A 55 5.657 25.382 8.314 1.00 0.00 C ATOM 799 CD2 PHE A 55 5.459 26.955 10.096 1.00 0.00 C ATOM 800 CE1 PHE A 55 6.959 25.792 8.093 1.00 0.00 C ATOM 801 CE2 PHE A 55 6.760 27.369 9.880 1.00 0.00 C ATOM 802 CZ PHE A 55 7.510 26.786 8.877 1.00 0.00 C ATOM 0 H PHE A 55 3.645 25.510 7.018 1.00 0.00 H new ATOM 0 HA PHE A 55 1.454 25.842 8.918 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.205 25.734 10.587 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.426 24.426 9.442 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.231 24.604 7.698 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.877 27.413 10.881 1.00 0.00 H new ATOM 0 HE1 PHE A 55 7.544 25.335 7.308 1.00 0.00 H new ATOM 0 HE2 PHE A 55 7.189 28.147 10.494 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.527 27.108 8.706 1.00 0.00 H new ATOM 812 N SER A 56 1.384 28.309 8.945 1.00 0.00 N ATOM 813 CA SER A 56 1.320 29.762 9.067 1.00 0.00 C ATOM 814 C SER A 56 1.955 30.442 7.858 1.00 0.00 C ATOM 815 O SER A 56 3.172 30.616 7.799 1.00 0.00 O ATOM 816 CB SER A 56 2.020 30.219 10.348 1.00 0.00 C ATOM 817 OG SER A 56 1.111 30.282 11.433 1.00 0.00 O ATOM 0 H SER A 56 0.485 27.838 9.043 1.00 0.00 H new ATOM 0 HA SER A 56 0.269 30.049 9.111 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.830 29.531 10.588 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.470 31.199 10.190 1.00 0.00 H new ATOM 0 HG SER A 56 1.584 30.575 12.240 1.00 0.00 H new ATOM 823 N ASN A 57 1.123 30.826 6.895 1.00 0.00 N ATOM 824 CA ASN A 57 1.605 31.488 5.688 1.00 0.00 C ATOM 825 C ASN A 57 2.260 32.824 6.027 1.00 0.00 C ATOM 826 O ASN A 57 1.965 33.426 7.059 1.00 0.00 O ATOM 827 CB ASN A 57 0.454 31.705 4.704 1.00 0.00 C ATOM 828 CG ASN A 57 0.929 31.787 3.267 1.00 0.00 C ATOM 829 OD1 ASN A 57 1.564 30.863 2.757 1.00 0.00 O ATOM 830 ND2 ASN A 57 0.623 32.896 2.605 1.00 0.00 N ATOM 0 H ASN A 57 0.113 30.690 6.927 1.00 0.00 H new ATOM 0 HA ASN A 57 2.352 30.844 5.224 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.262 30.889 4.801 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.073 32.624 4.962 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.916 33.008 1.634 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.095 33.636 3.067 1.00 0.00 H new ATOM 837 N ASP A 58 3.149 33.280 5.152 1.00 0.00 N ATOM 838 CA ASP A 58 3.845 34.545 5.361 1.00 0.00 C ATOM 839 C ASP A 58 2.952 35.725 4.995 1.00 0.00 C ATOM 840 O ASP A 58 2.573 36.520 5.854 1.00 0.00 O ATOM 841 CB ASP A 58 5.133 34.585 4.533 1.00 0.00 C ATOM 842 CG ASP A 58 6.327 35.043 5.347 1.00 0.00 C ATOM 843 OD1 ASP A 58 6.522 36.270 5.477 1.00 0.00 O ATOM 844 OD2 ASP A 58 7.069 34.175 5.854 1.00 0.00 O ATOM 0 H ASP A 58 3.405 32.794 4.292 1.00 0.00 H new ATOM 0 HA ASP A 58 4.099 34.622 6.418 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.332 33.593 4.127 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.996 35.255 3.684 1.00 0.00 H new ATOM 849 N LYS A 59 2.617 35.833 3.712 1.00 0.00 N ATOM 850 CA LYS A 59 1.768 36.917 3.233 1.00 0.00 C ATOM 851 C LYS A 59 0.304 36.649 3.565 1.00 0.00 C ATOM 852 O LYS A 59 -0.197 35.565 3.198 1.00 0.00 O ATOM 853 CB LYS A 59 1.936 37.095 1.722 1.00 0.00 C ATOM 854 CG LYS A 59 3.306 37.612 1.319 1.00 0.00 C ATOM 855 CD LYS A 59 3.600 37.331 -0.145 1.00 0.00 C ATOM 856 CE LYS A 59 4.178 35.939 -0.340 1.00 0.00 C ATOM 857 NZ LYS A 59 4.176 35.532 -1.773 1.00 0.00 N ATOM 0 H LYS A 59 2.921 35.183 2.987 1.00 0.00 H new ATOM 0 HA LYS A 59 2.074 37.834 3.736 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.759 36.139 1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.175 37.786 1.359 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.359 38.685 1.502 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.070 37.144 1.941 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.684 37.430 -0.727 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.301 38.074 -0.525 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.198 35.913 0.043 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.600 35.221 0.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.578 34.577 -1.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.200 35.532 -2.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.749 36.202 -2.325 1.00 0.00 H new TER 871 LYS A 59