USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 494 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 19:sc= 0.888 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 175:sc= -0.0877 (180deg=-0.157) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0539 K(o=-0.054,f=-1.7!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 169:sc= -3.98! USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 164:sc=-0.00985 (180deg=-0.15) USER MOD Single : A 31 GLN : amide:sc= -5.42! C(o=-5.4!,f=-9.7!) USER MOD Single : A 32 ASN : amide:sc= -0.828 K(o=-0.83,f=-1.5) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0163 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 135:sc= 0.201 (180deg=-0.824) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.14) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.512 0.259 -12.079 1.00 43.22 N ATOM 2 CA MET A 1 2.612 -0.311 -10.741 1.00 13.34 C ATOM 3 C MET A 1 2.117 -1.754 -10.726 1.00 3.31 C ATOM 4 O MET A 1 0.935 -2.017 -10.947 1.00 10.24 O ATOM 5 CB MET A 1 1.806 0.527 -9.745 1.00 63.24 C ATOM 6 CG MET A 1 1.990 0.096 -8.299 1.00 63.44 C ATOM 7 SD MET A 1 2.535 1.446 -7.236 1.00 23.21 S ATOM 8 CE MET A 1 1.666 1.055 -5.720 1.00 31.44 C ATOM 0 H1 MET A 1 2.854 1.241 -12.065 1.00 43.22 H new ATOM 0 H2 MET A 1 3.090 -0.300 -12.738 1.00 43.22 H new ATOM 0 H3 MET A 1 1.520 0.243 -12.390 1.00 43.22 H new ATOM 0 HA MET A 1 3.662 -0.302 -10.447 1.00 13.34 H new ATOM 0 HB2 MET A 1 2.097 1.573 -9.844 1.00 63.24 H new ATOM 0 HB3 MET A 1 0.749 0.465 -10.002 1.00 63.24 H new ATOM 0 HG2 MET A 1 1.049 -0.302 -7.920 1.00 63.44 H new ATOM 0 HG3 MET A 1 2.719 -0.713 -8.255 1.00 63.44 H new ATOM 0 HE1 MET A 1 1.902 1.802 -4.962 1.00 31.44 H new ATOM 0 HE2 MET A 1 0.592 1.053 -5.906 1.00 31.44 H new ATOM 0 HE3 MET A 1 1.975 0.071 -5.367 1.00 31.44 H new ATOM 18 N ASP A 2 3.029 -2.684 -10.465 1.00 71.03 N ATOM 19 CA ASP A 2 2.685 -4.101 -10.421 1.00 50.53 C ATOM 20 C ASP A 2 3.410 -4.800 -9.276 1.00 35.34 C ATOM 21 O ASP A 2 2.788 -5.219 -8.299 1.00 75.50 O ATOM 22 CB ASP A 2 3.035 -4.774 -11.749 1.00 52.33 C ATOM 23 CG ASP A 2 2.496 -4.012 -12.944 1.00 75.22 C ATOM 24 OD1 ASP A 2 1.422 -4.394 -13.456 1.00 41.12 O ATOM 25 OD2 ASP A 2 3.146 -3.034 -13.367 1.00 3.03 O ATOM 0 H ASP A 2 4.012 -2.483 -10.281 1.00 71.03 H new ATOM 0 HA ASP A 2 1.611 -4.184 -10.252 1.00 50.53 H new ATOM 0 HB2 ASP A 2 4.118 -4.860 -11.835 1.00 52.33 H new ATOM 0 HB3 ASP A 2 2.633 -5.787 -11.757 1.00 52.33 H new ATOM 30 N ILE A 3 4.726 -4.924 -9.403 1.00 3.21 N ATOM 31 CA ILE A 3 5.535 -5.573 -8.378 1.00 52.23 C ATOM 32 C ILE A 3 6.436 -4.567 -7.670 1.00 41.13 C ATOM 33 O ILE A 3 6.664 -3.464 -8.168 1.00 34.02 O ATOM 34 CB ILE A 3 6.405 -6.694 -8.975 1.00 25.42 C ATOM 35 CG1 ILE A 3 5.657 -7.406 -10.104 1.00 15.53 C ATOM 36 CG2 ILE A 3 6.808 -7.685 -7.892 1.00 51.15 C ATOM 37 CD1 ILE A 3 6.461 -8.502 -10.766 1.00 21.24 C ATOM 0 H ILE A 3 5.256 -4.584 -10.206 1.00 3.21 H new ATOM 0 HA ILE A 3 4.843 -6.007 -7.657 1.00 52.23 H new ATOM 0 HB ILE A 3 7.310 -6.249 -9.389 1.00 25.42 H new ATOM 0 HG12 ILE A 3 4.736 -7.832 -9.706 1.00 15.53 H new ATOM 0 HG13 ILE A 3 5.369 -6.672 -10.857 1.00 15.53 H new ATOM 0 HG21 ILE A 3 7.423 -8.472 -8.329 1.00 51.15 H new ATOM 0 HG22 ILE A 3 7.376 -7.168 -7.119 1.00 51.15 H new ATOM 0 HG23 ILE A 3 5.914 -8.126 -7.451 1.00 51.15 H new ATOM 0 HD11 ILE A 3 5.868 -8.962 -11.556 1.00 21.24 H new ATOM 0 HD12 ILE A 3 7.370 -8.079 -11.194 1.00 21.24 H new ATOM 0 HD13 ILE A 3 6.726 -9.257 -10.025 1.00 21.24 H new ATOM 49 N ASP A 4 6.948 -4.955 -6.508 1.00 32.54 N ATOM 50 CA ASP A 4 7.827 -4.089 -5.732 1.00 25.04 C ATOM 51 C ASP A 4 9.268 -4.196 -6.223 1.00 74.04 C ATOM 52 O ASP A 4 10.144 -3.456 -5.776 1.00 20.33 O ATOM 53 CB ASP A 4 7.754 -4.450 -4.247 1.00 42.12 C ATOM 54 CG ASP A 4 8.303 -3.353 -3.357 1.00 2.42 C ATOM 55 OD1 ASP A 4 9.117 -3.665 -2.463 1.00 23.25 O ATOM 56 OD2 ASP A 4 7.920 -2.181 -3.555 1.00 15.03 O ATOM 0 H ASP A 4 6.769 -5.864 -6.082 1.00 32.54 H new ATOM 0 HA ASP A 4 7.492 -3.060 -5.865 1.00 25.04 H new ATOM 0 HB2 ASP A 4 6.718 -4.650 -3.975 1.00 42.12 H new ATOM 0 HB3 ASP A 4 8.312 -5.370 -4.072 1.00 42.12 H new ATOM 61 N PHE A 5 9.505 -5.122 -7.146 1.00 60.32 N ATOM 62 CA PHE A 5 10.839 -5.328 -7.697 1.00 43.15 C ATOM 63 C PHE A 5 11.164 -4.267 -8.745 1.00 24.10 C ATOM 64 O PHE A 5 12.253 -3.692 -8.745 1.00 31.21 O ATOM 65 CB PHE A 5 10.949 -6.723 -8.317 1.00 0.23 C ATOM 66 CG PHE A 5 12.328 -7.051 -8.814 1.00 54.15 C ATOM 67 CD1 PHE A 5 13.302 -7.510 -7.943 1.00 43.50 C ATOM 68 CD2 PHE A 5 12.649 -6.900 -10.154 1.00 20.21 C ATOM 69 CE1 PHE A 5 14.572 -7.813 -8.398 1.00 12.22 C ATOM 70 CE2 PHE A 5 13.917 -7.202 -10.614 1.00 74.24 C ATOM 71 CZ PHE A 5 14.880 -7.658 -9.735 1.00 55.22 C ATOM 0 H PHE A 5 8.791 -5.742 -7.528 1.00 60.32 H new ATOM 0 HA PHE A 5 11.558 -5.242 -6.882 1.00 43.15 H new ATOM 0 HB2 PHE A 5 10.652 -7.466 -7.576 1.00 0.23 H new ATOM 0 HB3 PHE A 5 10.245 -6.800 -9.145 1.00 0.23 H new ATOM 0 HD1 PHE A 5 13.067 -7.633 -6.896 1.00 43.50 H new ATOM 0 HD2 PHE A 5 11.901 -6.543 -10.846 1.00 20.21 H new ATOM 0 HE1 PHE A 5 15.322 -8.171 -7.708 1.00 12.22 H new ATOM 0 HE2 PHE A 5 14.155 -7.081 -11.661 1.00 74.24 H new ATOM 0 HZ PHE A 5 15.872 -7.893 -10.093 1.00 55.22 H new ATOM 81 N SER A 6 10.212 -4.014 -9.637 1.00 42.41 N ATOM 82 CA SER A 6 10.398 -3.025 -10.693 1.00 72.53 C ATOM 83 C SER A 6 9.956 -1.642 -10.227 1.00 14.14 C ATOM 84 O SER A 6 8.776 -1.411 -9.958 1.00 60.10 O ATOM 85 CB SER A 6 9.613 -3.430 -11.943 1.00 12.23 C ATOM 86 OG SER A 6 8.217 -3.307 -11.730 1.00 1.00 O ATOM 0 H SER A 6 9.305 -4.480 -9.650 1.00 42.41 H new ATOM 0 HA SER A 6 11.460 -2.984 -10.936 1.00 72.53 H new ATOM 0 HB2 SER A 6 9.913 -2.804 -12.783 1.00 12.23 H new ATOM 0 HB3 SER A 6 9.854 -4.459 -12.210 1.00 12.23 H new ATOM 0 HG SER A 6 8.054 -2.724 -10.960 1.00 1.00 H new ATOM 92 N THR A 7 10.911 -0.723 -10.132 1.00 43.40 N ATOM 93 CA THR A 7 10.623 0.638 -9.697 1.00 13.10 C ATOM 94 C THR A 7 11.534 1.643 -10.392 1.00 65.31 C ATOM 95 O THR A 7 11.654 2.790 -9.961 1.00 23.10 O ATOM 96 CB THR A 7 10.783 0.786 -8.172 1.00 54.21 C ATOM 97 OG1 THR A 7 11.708 -0.189 -7.680 1.00 22.14 O ATOM 98 CG2 THR A 7 9.444 0.622 -7.469 1.00 55.41 C ATOM 0 H THR A 7 11.892 -0.897 -10.351 1.00 43.40 H new ATOM 0 HA THR A 7 9.587 0.843 -9.968 1.00 13.10 H new ATOM 0 HB THR A 7 11.164 1.786 -7.964 1.00 54.21 H new ATOM 0 HG1 THR A 7 11.806 -0.087 -6.710 1.00 22.14 H new ATOM 0 HG21 THR A 7 9.582 0.731 -6.393 1.00 55.41 H new ATOM 0 HG22 THR A 7 8.751 1.384 -7.825 1.00 55.41 H new ATOM 0 HG23 THR A 7 9.038 -0.366 -7.685 1.00 55.41 H new ATOM 106 N CYS A 8 12.176 1.205 -11.471 1.00 14.23 N ATOM 107 CA CYS A 8 13.077 2.066 -12.227 1.00 1.13 C ATOM 108 C CYS A 8 12.855 1.902 -13.727 1.00 62.45 C ATOM 109 O CYS A 8 12.358 0.872 -14.183 1.00 13.24 O ATOM 110 CB CYS A 8 14.532 1.748 -11.877 1.00 43.03 C ATOM 111 SG CYS A 8 15.693 3.110 -12.218 1.00 24.22 S ATOM 0 H CYS A 8 12.088 0.258 -11.841 1.00 14.23 H new ATOM 0 HA CYS A 8 12.863 3.100 -11.958 1.00 1.13 H new ATOM 0 HB2 CYS A 8 14.592 1.490 -10.820 1.00 43.03 H new ATOM 0 HB3 CYS A 8 14.846 0.868 -12.439 1.00 43.03 H new ATOM 116 N ALA A 9 13.228 2.924 -14.491 1.00 24.34 N ATOM 117 CA ALA A 9 13.073 2.892 -15.940 1.00 34.05 C ATOM 118 C ALA A 9 14.060 1.920 -16.577 1.00 2.43 C ATOM 119 O ALA A 9 13.965 1.614 -17.765 1.00 42.34 O ATOM 120 CB ALA A 9 13.252 4.287 -16.520 1.00 62.23 C ATOM 0 H ALA A 9 13.640 3.785 -14.130 1.00 24.34 H new ATOM 0 HA ALA A 9 12.065 2.543 -16.166 1.00 34.05 H new ATOM 0 HB1 ALA A 9 13.134 4.249 -17.603 1.00 62.23 H new ATOM 0 HB2 ALA A 9 12.503 4.956 -16.097 1.00 62.23 H new ATOM 0 HB3 ALA A 9 14.248 4.657 -16.277 1.00 62.23 H new ATOM 126 N ARG A 10 15.008 1.439 -15.779 1.00 1.20 N ATOM 127 CA ARG A 10 16.014 0.504 -16.266 1.00 65.32 C ATOM 128 C ARG A 10 15.565 -0.939 -16.051 1.00 42.34 C ATOM 129 O ARG A 10 16.389 -1.847 -15.951 1.00 21.23 O ATOM 130 CB ARG A 10 17.350 0.744 -15.559 1.00 74.12 C ATOM 131 CG ARG A 10 17.796 2.197 -15.577 1.00 73.23 C ATOM 132 CD ARG A 10 18.031 2.690 -16.997 1.00 32.35 C ATOM 133 NE ARG A 10 19.173 3.596 -17.079 1.00 61.10 N ATOM 134 CZ ARG A 10 20.437 3.189 -17.054 1.00 64.10 C ATOM 135 NH1 ARG A 10 20.720 1.898 -16.950 1.00 33.41 N ATOM 136 NH2 ARG A 10 21.422 4.074 -17.134 1.00 4.42 N ATOM 0 H ARG A 10 15.100 1.682 -14.793 1.00 1.20 H new ATOM 0 HA ARG A 10 16.141 0.672 -17.335 1.00 65.32 H new ATOM 0 HB2 ARG A 10 17.269 0.410 -14.524 1.00 74.12 H new ATOM 0 HB3 ARG A 10 18.117 0.131 -16.032 1.00 74.12 H new ATOM 0 HG2 ARG A 10 17.040 2.817 -15.096 1.00 73.23 H new ATOM 0 HG3 ARG A 10 18.712 2.305 -14.997 1.00 73.23 H new ATOM 0 HD2 ARG A 10 18.197 1.837 -17.654 1.00 32.35 H new ATOM 0 HD3 ARG A 10 17.137 3.200 -17.356 1.00 32.35 H new ATOM 0 HE ARG A 10 18.990 4.596 -17.160 1.00 61.10 H new ATOM 0 HH11 ARG A 10 19.966 1.214 -16.889 1.00 33.41 H new ATOM 0 HH12 ARG A 10 21.692 1.589 -16.931 1.00 33.41 H new ATOM 0 HH21 ARG A 10 21.209 5.068 -17.215 1.00 4.42 H new ATOM 0 HH22 ARG A 10 22.392 3.760 -17.115 1.00 4.42 H new ATOM 150 N MET A 11 14.253 -1.140 -15.982 1.00 24.32 N ATOM 151 CA MET A 11 13.695 -2.472 -15.780 1.00 30.25 C ATOM 152 C MET A 11 13.218 -3.068 -17.100 1.00 51.12 C ATOM 153 O MET A 11 13.422 -2.485 -18.165 1.00 3.51 O ATOM 154 CB MET A 11 12.535 -2.416 -14.783 1.00 63.42 C ATOM 155 CG MET A 11 12.844 -3.084 -13.453 1.00 4.41 C ATOM 156 SD MET A 11 12.340 -4.814 -13.410 1.00 31.11 S ATOM 157 CE MET A 11 13.836 -5.617 -13.980 1.00 72.22 C ATOM 0 H MET A 11 13.557 -0.398 -16.063 1.00 24.32 H new ATOM 0 HA MET A 11 14.481 -3.111 -15.377 1.00 30.25 H new ATOM 0 HB2 MET A 11 12.271 -1.374 -14.604 1.00 63.42 H new ATOM 0 HB3 MET A 11 11.662 -2.895 -15.227 1.00 63.42 H new ATOM 0 HG2 MET A 11 13.914 -3.017 -13.257 1.00 4.41 H new ATOM 0 HG3 MET A 11 12.339 -2.543 -12.653 1.00 4.41 H new ATOM 0 HE1 MET A 11 13.713 -6.699 -13.924 1.00 72.22 H new ATOM 0 HE2 MET A 11 14.034 -5.328 -15.012 1.00 72.22 H new ATOM 0 HE3 MET A 11 14.674 -5.314 -13.352 1.00 72.22 H new ATOM 167 N ASP A 12 12.582 -4.232 -17.024 1.00 2.24 N ATOM 168 CA ASP A 12 12.075 -4.906 -18.213 1.00 44.02 C ATOM 169 C ASP A 12 10.930 -4.116 -18.839 1.00 61.11 C ATOM 170 O ASP A 12 10.571 -4.334 -19.996 1.00 44.14 O ATOM 171 CB ASP A 12 11.606 -6.319 -17.864 1.00 13.03 C ATOM 172 CG ASP A 12 12.132 -7.360 -18.832 1.00 73.10 C ATOM 173 OD1 ASP A 12 11.435 -7.651 -19.827 1.00 43.34 O ATOM 174 OD2 ASP A 12 13.240 -7.884 -18.595 1.00 42.31 O ATOM 0 H ASP A 12 12.405 -4.728 -16.151 1.00 2.24 H new ATOM 0 HA ASP A 12 12.887 -4.970 -18.938 1.00 44.02 H new ATOM 0 HB2 ASP A 12 11.933 -6.568 -16.854 1.00 13.03 H new ATOM 0 HB3 ASP A 12 10.516 -6.347 -17.862 1.00 13.03 H new ATOM 179 N VAL A 13 10.359 -3.198 -18.066 1.00 33.45 N ATOM 180 CA VAL A 13 9.254 -2.376 -18.544 1.00 11.13 C ATOM 181 C VAL A 13 9.675 -0.917 -18.683 1.00 71.31 C ATOM 182 O VAL A 13 9.354 -0.070 -17.849 1.00 24.31 O ATOM 183 CB VAL A 13 8.041 -2.461 -17.598 1.00 50.41 C ATOM 184 CG1 VAL A 13 7.286 -3.764 -17.813 1.00 2.40 C ATOM 185 CG2 VAL A 13 8.485 -2.325 -16.149 1.00 52.55 C ATOM 0 H VAL A 13 10.644 -3.005 -17.106 1.00 33.45 H new ATOM 0 HA VAL A 13 8.970 -2.764 -19.522 1.00 11.13 H new ATOM 0 HB VAL A 13 7.366 -1.636 -17.826 1.00 50.41 H new ATOM 0 HG11 VAL A 13 6.433 -3.806 -17.136 1.00 2.40 H new ATOM 0 HG12 VAL A 13 6.935 -3.815 -18.844 1.00 2.40 H new ATOM 0 HG13 VAL A 13 7.949 -4.606 -17.614 1.00 2.40 H new ATOM 0 HG21 VAL A 13 7.615 -2.387 -15.495 1.00 52.55 H new ATOM 0 HG22 VAL A 13 9.181 -3.127 -15.905 1.00 52.55 H new ATOM 0 HG23 VAL A 13 8.977 -1.363 -16.008 1.00 52.55 H new ATOM 195 N PRO A 14 10.411 -0.614 -19.763 1.00 34.40 N ATOM 196 CA PRO A 14 10.891 0.743 -20.038 1.00 71.13 C ATOM 197 C PRO A 14 9.760 1.691 -20.421 1.00 40.45 C ATOM 198 O PRO A 14 9.964 2.900 -20.536 1.00 14.43 O ATOM 199 CB PRO A 14 11.848 0.548 -21.217 1.00 11.20 C ATOM 200 CG PRO A 14 11.373 -0.693 -21.890 1.00 34.11 C ATOM 201 CD PRO A 14 10.830 -1.574 -20.799 1.00 13.34 C ATOM 0 HA PRO A 14 11.357 1.196 -19.163 1.00 71.13 H new ATOM 0 HB2 PRO A 14 11.820 1.401 -21.895 1.00 11.20 H new ATOM 0 HB3 PRO A 14 12.879 0.444 -20.877 1.00 11.20 H new ATOM 0 HG2 PRO A 14 10.603 -0.467 -22.628 1.00 34.11 H new ATOM 0 HG3 PRO A 14 12.188 -1.186 -22.420 1.00 34.11 H new ATOM 0 HD2 PRO A 14 9.993 -2.178 -21.149 1.00 13.34 H new ATOM 0 HD3 PRO A 14 11.587 -2.264 -20.425 1.00 13.34 H new ATOM 209 N ILE A 15 8.569 1.136 -20.618 1.00 62.21 N ATOM 210 CA ILE A 15 7.406 1.933 -20.987 1.00 2.52 C ATOM 211 C ILE A 15 7.225 3.113 -20.037 1.00 61.13 C ATOM 212 O ILE A 15 6.950 2.932 -18.850 1.00 40.03 O ATOM 213 CB ILE A 15 6.120 1.087 -20.987 1.00 32.32 C ATOM 214 CG1 ILE A 15 6.257 -0.089 -21.957 1.00 11.33 C ATOM 215 CG2 ILE A 15 4.920 1.946 -21.354 1.00 53.52 C ATOM 216 CD1 ILE A 15 5.080 -1.038 -21.925 1.00 71.44 C ATOM 0 H ILE A 15 8.384 0.137 -20.528 1.00 62.21 H new ATOM 0 HA ILE A 15 7.586 2.305 -21.996 1.00 2.52 H new ATOM 0 HB ILE A 15 5.964 0.690 -19.984 1.00 32.32 H new ATOM 0 HG12 ILE A 15 6.375 0.297 -22.969 1.00 11.33 H new ATOM 0 HG13 ILE A 15 7.166 -0.642 -21.719 1.00 11.33 H new ATOM 0 HG21 ILE A 15 4.019 1.333 -21.350 1.00 53.52 H new ATOM 0 HG22 ILE A 15 4.814 2.752 -20.628 1.00 53.52 H new ATOM 0 HG23 ILE A 15 5.066 2.369 -22.348 1.00 53.52 H new ATOM 0 HD11 ILE A 15 5.245 -1.847 -22.637 1.00 71.44 H new ATOM 0 HD12 ILE A 15 4.974 -1.453 -20.923 1.00 71.44 H new ATOM 0 HD13 ILE A 15 4.171 -0.499 -22.192 1.00 71.44 H new ATOM 228 N LEU A 16 7.379 4.321 -20.568 1.00 4.15 N ATOM 229 CA LEU A 16 7.231 5.532 -19.768 1.00 0.21 C ATOM 230 C LEU A 16 8.254 5.567 -18.637 1.00 31.30 C ATOM 231 O LEU A 16 7.934 5.267 -17.486 1.00 63.45 O ATOM 232 CB LEU A 16 5.816 5.618 -19.194 1.00 32.43 C ATOM 233 CG LEU A 16 4.822 6.472 -19.981 1.00 42.15 C ATOM 234 CD1 LEU A 16 4.291 5.703 -21.181 1.00 53.21 C ATOM 235 CD2 LEU A 16 3.678 6.923 -19.085 1.00 21.30 C ATOM 0 H LEU A 16 7.606 4.488 -21.548 1.00 4.15 H new ATOM 0 HA LEU A 16 7.406 6.390 -20.417 1.00 0.21 H new ATOM 0 HB2 LEU A 16 5.415 4.607 -19.117 1.00 32.43 H new ATOM 0 HB3 LEU A 16 5.880 6.013 -18.180 1.00 32.43 H new ATOM 0 HG LEU A 16 5.342 7.358 -20.344 1.00 42.15 H new ATOM 0 HD11 LEU A 16 3.585 6.327 -21.729 1.00 53.21 H new ATOM 0 HD12 LEU A 16 5.120 5.432 -21.835 1.00 53.21 H new ATOM 0 HD13 LEU A 16 3.787 4.799 -20.840 1.00 53.21 H new ATOM 0 HD21 LEU A 16 2.981 7.530 -19.663 1.00 21.30 H new ATOM 0 HD22 LEU A 16 3.159 6.050 -18.691 1.00 21.30 H new ATOM 0 HD23 LEU A 16 4.074 7.513 -18.259 1.00 21.30 H new ATOM 247 N LYS A 17 9.486 5.937 -18.971 1.00 75.33 N ATOM 248 CA LYS A 17 10.556 6.015 -17.984 1.00 70.33 C ATOM 249 C LYS A 17 10.176 6.952 -16.843 1.00 2.33 C ATOM 250 O LYS A 17 10.478 6.685 -15.679 1.00 74.23 O ATOM 251 CB LYS A 17 11.851 6.495 -18.643 1.00 61.32 C ATOM 252 CG LYS A 17 12.211 5.730 -19.905 1.00 64.20 C ATOM 253 CD LYS A 17 13.677 5.328 -19.914 1.00 73.21 C ATOM 254 CE LYS A 17 13.952 4.250 -20.951 1.00 25.41 C ATOM 255 NZ LYS A 17 14.693 4.787 -22.126 1.00 75.33 N ATOM 0 H LYS A 17 9.768 6.188 -19.919 1.00 75.33 H new ATOM 0 HA LYS A 17 10.712 5.017 -17.574 1.00 70.33 H new ATOM 0 HB2 LYS A 17 11.755 7.554 -18.885 1.00 61.32 H new ATOM 0 HB3 LYS A 17 12.668 6.404 -17.928 1.00 61.32 H new ATOM 0 HG2 LYS A 17 11.588 4.839 -19.982 1.00 64.20 H new ATOM 0 HG3 LYS A 17 11.996 6.345 -20.779 1.00 64.20 H new ATOM 0 HD2 LYS A 17 14.294 6.202 -20.123 1.00 73.21 H new ATOM 0 HD3 LYS A 17 13.962 4.966 -18.926 1.00 73.21 H new ATOM 0 HE2 LYS A 17 14.529 3.446 -20.495 1.00 25.41 H new ATOM 0 HE3 LYS A 17 13.009 3.817 -21.284 1.00 25.41 H new ATOM 0 HZ1 LYS A 17 14.861 4.022 -22.810 1.00 75.33 H new ATOM 0 HZ2 LYS A 17 14.132 5.537 -22.577 1.00 75.33 H new ATOM 0 HZ3 LYS A 17 15.605 5.178 -21.813 1.00 75.33 H new ATOM 269 N LYS A 18 9.512 8.052 -17.182 1.00 73.42 N ATOM 270 CA LYS A 18 9.088 9.028 -16.186 1.00 14.20 C ATOM 271 C LYS A 18 8.237 8.369 -15.105 1.00 23.41 C ATOM 272 O LYS A 18 8.326 8.723 -13.930 1.00 24.12 O ATOM 273 CB LYS A 18 8.298 10.157 -16.852 1.00 41.34 C ATOM 274 CG LYS A 18 8.670 11.540 -16.347 1.00 10.35 C ATOM 275 CD LYS A 18 8.544 12.587 -17.441 1.00 23.20 C ATOM 276 CE LYS A 18 9.287 13.864 -17.079 1.00 62.22 C ATOM 277 NZ LYS A 18 10.298 14.228 -18.110 1.00 50.51 N ATOM 0 H LYS A 18 9.256 8.290 -18.140 1.00 73.42 H new ATOM 0 HA LYS A 18 9.981 9.443 -15.719 1.00 14.20 H new ATOM 0 HB2 LYS A 18 8.461 10.117 -17.929 1.00 41.34 H new ATOM 0 HB3 LYS A 18 7.234 9.992 -16.684 1.00 41.34 H new ATOM 0 HG2 LYS A 18 8.025 11.808 -15.510 1.00 10.35 H new ATOM 0 HG3 LYS A 18 9.693 11.528 -15.970 1.00 10.35 H new ATOM 0 HD2 LYS A 18 8.939 12.188 -18.375 1.00 23.20 H new ATOM 0 HD3 LYS A 18 7.491 12.813 -17.610 1.00 23.20 H new ATOM 0 HE2 LYS A 18 8.573 14.680 -16.966 1.00 62.22 H new ATOM 0 HE3 LYS A 18 9.780 13.737 -16.115 1.00 62.22 H new ATOM 0 HZ1 LYS A 18 10.783 15.103 -17.827 1.00 50.51 H new ATOM 0 HZ2 LYS A 18 10.994 13.460 -18.200 1.00 50.51 H new ATOM 0 HZ3 LYS A 18 9.824 14.375 -19.024 1.00 50.51 H new ATOM 291 N ALA A 19 7.415 7.407 -15.510 1.00 74.23 N ATOM 292 CA ALA A 19 6.552 6.696 -14.575 1.00 75.45 C ATOM 293 C ALA A 19 7.372 5.874 -13.587 1.00 0.21 C ATOM 294 O ALA A 19 7.103 5.881 -12.386 1.00 72.21 O ATOM 295 CB ALA A 19 5.580 5.800 -15.330 1.00 43.25 C ATOM 0 H ALA A 19 7.328 7.102 -16.479 1.00 74.23 H new ATOM 0 HA ALA A 19 5.984 7.435 -14.010 1.00 75.45 H new ATOM 0 HB1 ALA A 19 4.942 5.275 -14.619 1.00 43.25 H new ATOM 0 HB2 ALA A 19 4.963 6.408 -15.991 1.00 43.25 H new ATOM 0 HB3 ALA A 19 6.138 5.074 -15.921 1.00 43.25 H new ATOM 301 N ALA A 20 8.373 5.167 -14.100 1.00 5.00 N ATOM 302 CA ALA A 20 9.234 4.341 -13.262 1.00 12.44 C ATOM 303 C ALA A 20 9.934 5.181 -12.199 1.00 45.41 C ATOM 304 O ALA A 20 9.972 4.809 -11.027 1.00 22.02 O ATOM 305 CB ALA A 20 10.257 3.608 -14.116 1.00 74.43 C ATOM 0 H ALA A 20 8.608 5.149 -15.092 1.00 5.00 H new ATOM 0 HA ALA A 20 8.609 3.607 -12.754 1.00 12.44 H new ATOM 0 HB1 ALA A 20 10.893 2.995 -13.477 1.00 74.43 H new ATOM 0 HB2 ALA A 20 9.742 2.970 -14.834 1.00 74.43 H new ATOM 0 HB3 ALA A 20 10.871 4.333 -14.651 1.00 74.43 H new ATOM 311 N GLN A 21 10.488 6.315 -12.618 1.00 23.24 N ATOM 312 CA GLN A 21 11.189 7.206 -11.701 1.00 10.22 C ATOM 313 C GLN A 21 10.225 7.807 -10.683 1.00 25.25 C ATOM 314 O GLN A 21 10.611 8.119 -9.557 1.00 23.12 O ATOM 315 CB GLN A 21 11.890 8.322 -12.477 1.00 41.21 C ATOM 316 CG GLN A 21 13.394 8.131 -12.592 1.00 51.41 C ATOM 317 CD GLN A 21 14.009 8.988 -13.681 1.00 4.22 C ATOM 318 OE1 GLN A 21 13.301 9.600 -14.480 1.00 55.23 O ATOM 319 NE2 GLN A 21 15.336 9.037 -13.717 1.00 71.24 N ATOM 0 H GLN A 21 10.465 6.638 -13.585 1.00 23.24 H new ATOM 0 HA GLN A 21 11.936 6.621 -11.165 1.00 10.22 H new ATOM 0 HB2 GLN A 21 11.462 8.382 -13.478 1.00 41.21 H new ATOM 0 HB3 GLN A 21 11.689 9.275 -11.987 1.00 41.21 H new ATOM 0 HG2 GLN A 21 13.861 8.373 -11.637 1.00 51.41 H new ATOM 0 HG3 GLN A 21 13.609 7.082 -12.796 1.00 51.41 H new ATOM 0 HE21 GLN A 21 15.884 8.513 -13.035 1.00 71.24 H new ATOM 0 HE22 GLN A 21 15.807 9.598 -14.427 1.00 71.24 H new ATOM 328 N GLY A 22 8.969 7.966 -11.086 1.00 53.35 N ATOM 329 CA GLY A 22 7.970 8.530 -10.197 1.00 74.44 C ATOM 330 C GLY A 22 7.868 7.775 -8.887 1.00 22.12 C ATOM 331 O GLY A 22 7.519 8.351 -7.855 1.00 72.35 O ATOM 0 H GLY A 22 8.625 7.714 -12.013 1.00 53.35 H new ATOM 0 HA2 GLY A 22 8.216 9.572 -9.994 1.00 74.44 H new ATOM 0 HA3 GLY A 22 7.000 8.522 -10.694 1.00 74.44 H new ATOM 335 N LEU A 23 8.172 6.482 -8.925 1.00 44.34 N ATOM 336 CA LEU A 23 8.112 5.646 -7.731 1.00 43.24 C ATOM 337 C LEU A 23 9.264 5.966 -6.784 1.00 42.11 C ATOM 338 O LEU A 23 9.416 5.334 -5.739 1.00 23.44 O ATOM 339 CB LEU A 23 8.151 4.167 -8.118 1.00 71.24 C ATOM 340 CG LEU A 23 7.156 3.728 -9.194 1.00 2.13 C ATOM 341 CD1 LEU A 23 7.106 2.211 -9.287 1.00 52.12 C ATOM 342 CD2 LEU A 23 5.773 4.293 -8.903 1.00 63.33 C ATOM 0 H LEU A 23 8.463 5.990 -9.770 1.00 44.34 H new ATOM 0 HA LEU A 23 7.174 5.856 -7.217 1.00 43.24 H new ATOM 0 HB2 LEU A 23 9.157 3.929 -8.463 1.00 71.24 H new ATOM 0 HB3 LEU A 23 7.972 3.573 -7.222 1.00 71.24 H new ATOM 0 HG LEU A 23 7.492 4.119 -10.154 1.00 2.13 H new ATOM 0 HD11 LEU A 23 6.393 1.917 -10.057 1.00 52.12 H new ATOM 0 HD12 LEU A 23 8.094 1.829 -9.543 1.00 52.12 H new ATOM 0 HD13 LEU A 23 6.795 1.798 -8.328 1.00 52.12 H new ATOM 0 HD21 LEU A 23 5.078 3.971 -9.678 1.00 63.33 H new ATOM 0 HD22 LEU A 23 5.429 3.932 -7.934 1.00 63.33 H new ATOM 0 HD23 LEU A 23 5.821 5.382 -8.888 1.00 63.33 H new ATOM 354 N CYS A 24 10.072 6.953 -7.156 1.00 3.32 N ATOM 355 CA CYS A 24 11.210 7.359 -6.339 1.00 52.54 C ATOM 356 C CYS A 24 11.092 8.826 -5.934 1.00 22.22 C ATOM 357 O CYS A 24 11.188 9.163 -4.753 1.00 41.45 O ATOM 358 CB CYS A 24 12.517 7.133 -7.101 1.00 25.24 C ATOM 359 SG CYS A 24 13.677 6.002 -6.266 1.00 41.33 S ATOM 0 H CYS A 24 9.960 7.487 -8.018 1.00 3.32 H new ATOM 0 HA CYS A 24 11.214 6.749 -5.435 1.00 52.54 H new ATOM 0 HB2 CYS A 24 12.285 6.735 -8.089 1.00 25.24 H new ATOM 0 HB3 CYS A 24 13.008 8.094 -7.252 1.00 25.24 H new ATOM 364 N ILE A 25 10.884 9.692 -6.920 1.00 31.31 N ATOM 365 CA ILE A 25 10.752 11.121 -6.666 1.00 31.13 C ATOM 366 C ILE A 25 9.489 11.423 -5.866 1.00 72.35 C ATOM 367 O ILE A 25 9.523 12.168 -4.887 1.00 22.14 O ATOM 368 CB ILE A 25 10.720 11.926 -7.978 1.00 72.45 C ATOM 369 CG1 ILE A 25 12.010 11.703 -8.770 1.00 41.31 C ATOM 370 CG2 ILE A 25 10.518 13.405 -7.688 1.00 4.31 C ATOM 371 CD1 ILE A 25 11.906 10.599 -9.798 1.00 73.50 C ATOM 0 H ILE A 25 10.803 9.429 -7.902 1.00 31.31 H new ATOM 0 HA ILE A 25 11.626 11.420 -6.087 1.00 31.13 H new ATOM 0 HB ILE A 25 9.881 11.577 -8.581 1.00 72.45 H new ATOM 0 HG12 ILE A 25 12.283 12.631 -9.272 1.00 41.31 H new ATOM 0 HG13 ILE A 25 12.816 11.467 -8.076 1.00 41.31 H new ATOM 0 HG21 ILE A 25 10.498 13.960 -8.626 1.00 4.31 H new ATOM 0 HG22 ILE A 25 9.574 13.547 -7.162 1.00 4.31 H new ATOM 0 HG23 ILE A 25 11.337 13.769 -7.068 1.00 4.31 H new ATOM 0 HD11 ILE A 25 12.857 10.498 -10.321 1.00 73.50 H new ATOM 0 HD12 ILE A 25 11.664 9.660 -9.300 1.00 73.50 H new ATOM 0 HD13 ILE A 25 11.122 10.842 -10.515 1.00 73.50 H new ATOM 383 N THR A 26 8.373 10.837 -6.290 1.00 52.32 N ATOM 384 CA THR A 26 7.098 11.042 -5.614 1.00 40.43 C ATOM 385 C THR A 26 7.033 10.253 -4.312 1.00 2.44 C ATOM 386 O THR A 26 6.482 10.724 -3.317 1.00 21.14 O ATOM 387 CB THR A 26 5.915 10.631 -6.510 1.00 75.41 C ATOM 388 OG1 THR A 26 5.161 11.788 -6.889 1.00 64.14 O ATOM 389 CG2 THR A 26 5.009 9.643 -5.790 1.00 14.31 C ATOM 0 H THR A 26 8.327 10.217 -7.098 1.00 52.32 H new ATOM 0 HA THR A 26 7.025 12.107 -5.394 1.00 40.43 H new ATOM 0 HB THR A 26 6.315 10.150 -7.403 1.00 75.41 H new ATOM 0 HG1 THR A 26 4.412 11.518 -7.460 1.00 64.14 H new ATOM 0 HG21 THR A 26 4.180 9.367 -6.442 1.00 14.31 H new ATOM 0 HG22 THR A 26 5.578 8.751 -5.529 1.00 14.31 H new ATOM 0 HG23 THR A 26 4.618 10.102 -4.882 1.00 14.31 H new ATOM 397 N SER A 27 7.600 9.051 -4.324 1.00 41.24 N ATOM 398 CA SER A 27 7.604 8.195 -3.144 1.00 13.21 C ATOM 399 C SER A 27 8.316 8.878 -1.980 1.00 71.21 C ATOM 400 O SER A 27 7.970 8.669 -0.817 1.00 0.22 O ATOM 401 CB SER A 27 8.281 6.860 -3.458 1.00 73.23 C ATOM 402 OG SER A 27 7.810 5.835 -2.600 1.00 25.00 O ATOM 0 H SER A 27 8.063 8.648 -5.139 1.00 41.24 H new ATOM 0 HA SER A 27 6.569 8.010 -2.856 1.00 13.21 H new ATOM 0 HB2 SER A 27 8.089 6.587 -4.496 1.00 73.23 H new ATOM 0 HB3 SER A 27 9.361 6.962 -3.349 1.00 73.23 H new ATOM 0 HG SER A 27 8.119 4.965 -2.929 1.00 25.00 H new ATOM 408 N CYS A 28 9.313 9.695 -2.302 1.00 62.32 N ATOM 409 CA CYS A 28 10.076 10.409 -1.286 1.00 21.13 C ATOM 410 C CYS A 28 9.247 11.535 -0.675 1.00 3.30 C ATOM 411 O CYS A 28 9.234 11.721 0.542 1.00 71.41 O ATOM 412 CB CYS A 28 11.363 10.977 -1.889 1.00 35.43 C ATOM 413 SG CYS A 28 12.882 10.438 -1.040 1.00 40.42 S ATOM 0 H CYS A 28 9.612 9.879 -3.260 1.00 62.32 H new ATOM 0 HA CYS A 28 10.334 9.702 -0.497 1.00 21.13 H new ATOM 0 HB2 CYS A 28 11.421 10.683 -2.937 1.00 35.43 H new ATOM 0 HB3 CYS A 28 11.313 12.066 -1.866 1.00 35.43 H new ATOM 418 N SER A 29 8.557 12.285 -1.529 1.00 21.43 N ATOM 419 CA SER A 29 7.728 13.395 -1.074 1.00 44.03 C ATOM 420 C SER A 29 6.703 12.923 -0.048 1.00 74.03 C ATOM 421 O SER A 29 6.324 13.668 0.855 1.00 41.10 O ATOM 422 CB SER A 29 7.017 14.047 -2.261 1.00 74.13 C ATOM 423 OG SER A 29 6.804 15.429 -2.032 1.00 51.00 O ATOM 0 H SER A 29 8.556 12.144 -2.539 1.00 21.43 H new ATOM 0 HA SER A 29 8.377 14.131 -0.600 1.00 44.03 H new ATOM 0 HB2 SER A 29 7.612 13.912 -3.164 1.00 74.13 H new ATOM 0 HB3 SER A 29 6.061 13.552 -2.433 1.00 74.13 H new ATOM 0 HG SER A 29 6.350 15.823 -2.806 1.00 51.00 H new ATOM 429 N MET A 30 6.257 11.680 -0.195 1.00 60.44 N ATOM 430 CA MET A 30 5.276 11.107 0.719 1.00 72.32 C ATOM 431 C MET A 30 5.908 10.802 2.073 1.00 33.03 C ATOM 432 O MET A 30 5.206 10.603 3.064 1.00 34.32 O ATOM 433 CB MET A 30 4.677 9.831 0.124 1.00 73.12 C ATOM 434 CG MET A 30 4.399 9.928 -1.367 1.00 54.35 C ATOM 435 SD MET A 30 2.797 9.235 -1.822 1.00 43.31 S ATOM 436 CE MET A 30 1.689 10.450 -1.113 1.00 51.51 C ATOM 0 H MET A 30 6.559 11.050 -0.938 1.00 60.44 H new ATOM 0 HA MET A 30 4.482 11.839 0.865 1.00 72.32 H new ATOM 0 HB2 MET A 30 5.359 9.001 0.305 1.00 73.12 H new ATOM 0 HB3 MET A 30 3.748 9.599 0.644 1.00 73.12 H new ATOM 0 HG2 MET A 30 4.438 10.974 -1.673 1.00 54.35 H new ATOM 0 HG3 MET A 30 5.185 9.406 -1.914 1.00 54.35 H new ATOM 0 HE1 MET A 30 0.694 10.328 -1.540 1.00 51.51 H new ATOM 0 HE2 MET A 30 1.640 10.311 -0.033 1.00 51.51 H new ATOM 0 HE3 MET A 30 2.058 11.452 -1.334 1.00 51.51 H new ATOM 446 N GLN A 31 7.236 10.767 2.107 1.00 11.23 N ATOM 447 CA GLN A 31 7.961 10.486 3.341 1.00 72.53 C ATOM 448 C GLN A 31 8.632 11.745 3.877 1.00 1.44 C ATOM 449 O GLN A 31 9.555 11.671 4.687 1.00 2.42 O ATOM 450 CB GLN A 31 9.009 9.396 3.104 1.00 54.51 C ATOM 451 CG GLN A 31 8.662 8.457 1.960 1.00 11.11 C ATOM 452 CD GLN A 31 8.998 7.012 2.270 1.00 62.33 C ATOM 453 OE1 GLN A 31 9.976 6.466 1.757 1.00 52.10 O ATOM 454 NE2 GLN A 31 8.188 6.382 3.113 1.00 52.53 N ATOM 0 H GLN A 31 7.832 10.930 1.295 1.00 11.23 H new ATOM 0 HA GLN A 31 7.243 10.136 4.083 1.00 72.53 H new ATOM 0 HB2 GLN A 31 9.970 9.867 2.898 1.00 54.51 H new ATOM 0 HB3 GLN A 31 9.128 8.814 4.018 1.00 54.51 H new ATOM 0 HG2 GLN A 31 7.598 8.539 1.737 1.00 11.11 H new ATOM 0 HG3 GLN A 31 9.200 8.767 1.064 1.00 11.11 H new ATOM 0 HE21 GLN A 31 7.389 6.872 3.515 1.00 52.53 H new ATOM 0 HE22 GLN A 31 8.365 5.408 3.358 1.00 52.53 H new ATOM 463 N ASN A 32 8.162 12.901 3.420 1.00 53.31 N ATOM 464 CA ASN A 32 8.718 14.178 3.854 1.00 75.03 C ATOM 465 C ASN A 32 10.159 14.333 3.380 1.00 65.41 C ATOM 466 O ASN A 32 11.016 14.829 4.113 1.00 54.14 O ATOM 467 CB ASN A 32 8.655 14.294 5.378 1.00 34.31 C ATOM 468 CG ASN A 32 7.401 13.664 5.954 1.00 23.15 C ATOM 469 OD1 ASN A 32 7.399 12.492 6.332 1.00 4.34 O ATOM 470 ND2 ASN A 32 6.327 14.441 6.024 1.00 51.31 N ATOM 0 H ASN A 32 7.398 12.980 2.749 1.00 53.31 H new ATOM 0 HA ASN A 32 8.121 14.975 3.411 1.00 75.03 H new ATOM 0 HB2 ASN A 32 9.532 13.814 5.813 1.00 34.31 H new ATOM 0 HB3 ASN A 32 8.693 15.346 5.662 1.00 34.31 H new ATOM 0 HD21 ASN A 32 5.455 14.072 6.403 1.00 51.31 H new ATOM 0 HD22 ASN A 32 6.374 15.407 5.699 1.00 51.31 H new ATOM 477 N CYS A 33 10.421 13.905 2.149 1.00 22.34 N ATOM 478 CA CYS A 33 11.759 13.995 1.576 1.00 14.01 C ATOM 479 C CYS A 33 11.824 15.093 0.518 1.00 72.41 C ATOM 480 O CYS A 33 10.876 15.856 0.341 1.00 14.21 O ATOM 481 CB CYS A 33 12.164 12.654 0.961 1.00 4.05 C ATOM 482 SG CYS A 33 12.393 11.317 2.178 1.00 45.51 S ATOM 0 H CYS A 33 9.724 13.492 1.529 1.00 22.34 H new ATOM 0 HA CYS A 33 12.455 14.245 2.377 1.00 14.01 H new ATOM 0 HB2 CYS A 33 11.402 12.351 0.243 1.00 4.05 H new ATOM 0 HB3 CYS A 33 13.092 12.787 0.404 1.00 4.05 H new ATOM 487 N GLY A 34 12.951 15.164 -0.184 1.00 11.31 N ATOM 488 CA GLY A 34 13.119 16.171 -1.216 1.00 25.23 C ATOM 489 C GLY A 34 13.075 15.583 -2.612 1.00 72.41 C ATOM 490 O GLY A 34 12.245 15.974 -3.433 1.00 51.24 O ATOM 0 H GLY A 34 13.750 14.543 -0.057 1.00 11.31 H new ATOM 0 HA2 GLY A 34 12.336 16.923 -1.117 1.00 25.23 H new ATOM 0 HA3 GLY A 34 14.071 16.681 -1.070 1.00 25.23 H new ATOM 494 N THR A 35 13.972 14.640 -2.884 1.00 75.44 N ATOM 495 CA THR A 35 14.033 13.998 -4.192 1.00 3.43 C ATOM 496 C THR A 35 14.450 12.537 -4.068 1.00 45.43 C ATOM 497 O THR A 35 14.671 12.035 -2.967 1.00 13.40 O ATOM 498 CB THR A 35 15.018 14.724 -5.127 1.00 42.45 C ATOM 499 OG1 THR A 35 14.837 14.273 -6.474 1.00 40.44 O ATOM 500 CG2 THR A 35 16.456 14.480 -4.695 1.00 11.24 C ATOM 0 H THR A 35 14.666 14.304 -2.216 1.00 75.44 H new ATOM 0 HA THR A 35 13.031 14.052 -4.619 1.00 3.43 H new ATOM 0 HB THR A 35 14.815 15.794 -5.071 1.00 42.45 H new ATOM 0 HG1 THR A 35 15.466 14.740 -7.063 1.00 40.44 H new ATOM 0 HG21 THR A 35 17.133 15.003 -5.371 1.00 11.24 H new ATOM 0 HG22 THR A 35 16.599 14.851 -3.680 1.00 11.24 H new ATOM 0 HG23 THR A 35 16.668 13.411 -4.724 1.00 11.24 H new ATOM 508 N GLY A 36 14.558 11.859 -5.207 1.00 1.11 N ATOM 509 CA GLY A 36 14.949 10.462 -5.204 1.00 24.42 C ATOM 510 C GLY A 36 15.241 9.938 -6.596 1.00 50.01 C ATOM 511 O GLY A 36 14.433 10.102 -7.510 1.00 33.50 O ATOM 0 H GLY A 36 14.382 12.253 -6.131 1.00 1.11 H new ATOM 0 HA2 GLY A 36 15.833 10.337 -4.579 1.00 24.42 H new ATOM 0 HA3 GLY A 36 14.154 9.867 -4.754 1.00 24.42 H new ATOM 515 N SER A 37 16.400 9.308 -6.759 1.00 71.10 N ATOM 516 CA SER A 37 16.799 8.763 -8.052 1.00 12.44 C ATOM 517 C SER A 37 17.003 7.254 -7.965 1.00 63.15 C ATOM 518 O SER A 37 17.462 6.735 -6.948 1.00 22.34 O ATOM 519 CB SER A 37 18.084 9.437 -8.538 1.00 33.42 C ATOM 520 OG SER A 37 17.981 9.806 -9.902 1.00 2.20 O ATOM 0 H SER A 37 17.079 9.162 -6.012 1.00 71.10 H new ATOM 0 HA SER A 37 16.000 8.963 -8.766 1.00 12.44 H new ATOM 0 HB2 SER A 37 18.286 10.321 -7.933 1.00 33.42 H new ATOM 0 HB3 SER A 37 18.927 8.759 -8.404 1.00 33.42 H new ATOM 0 HG SER A 37 18.814 10.236 -10.188 1.00 2.20 H new ATOM 526 N CYS A 38 16.659 6.554 -9.042 1.00 3.44 N ATOM 527 CA CYS A 38 16.804 5.104 -9.090 1.00 15.50 C ATOM 528 C CYS A 38 17.875 4.698 -10.097 1.00 61.24 C ATOM 529 O CYS A 38 17.973 5.271 -11.183 1.00 12.14 O ATOM 530 CB CYS A 38 15.470 4.450 -9.456 1.00 13.24 C ATOM 531 SG CYS A 38 14.933 4.763 -11.168 1.00 13.10 S ATOM 0 H CYS A 38 16.278 6.968 -9.893 1.00 3.44 H new ATOM 0 HA CYS A 38 17.111 4.761 -8.102 1.00 15.50 H new ATOM 0 HB2 CYS A 38 15.551 3.374 -9.303 1.00 13.24 H new ATOM 0 HB3 CYS A 38 14.701 4.812 -8.774 1.00 13.24 H new ATOM 536 N LYS A 39 18.677 3.704 -9.731 1.00 4.24 N ATOM 537 CA LYS A 39 19.741 3.218 -10.601 1.00 44.21 C ATOM 538 C LYS A 39 19.852 1.699 -10.529 1.00 73.41 C ATOM 539 O LYS A 39 19.413 1.079 -9.560 1.00 23.13 O ATOM 540 CB LYS A 39 21.077 3.856 -10.213 1.00 3.00 C ATOM 541 CG LYS A 39 21.018 5.370 -10.099 1.00 64.55 C ATOM 542 CD LYS A 39 21.022 6.032 -11.467 1.00 71.20 C ATOM 543 CE LYS A 39 21.386 7.506 -11.372 1.00 33.44 C ATOM 544 NZ LYS A 39 22.206 7.951 -12.532 1.00 71.31 N ATOM 0 H LYS A 39 18.610 3.219 -8.836 1.00 4.24 H new ATOM 0 HA LYS A 39 19.495 3.499 -11.625 1.00 44.21 H new ATOM 0 HB2 LYS A 39 21.405 3.441 -9.260 1.00 3.00 H new ATOM 0 HB3 LYS A 39 21.828 3.585 -10.955 1.00 3.00 H new ATOM 0 HG2 LYS A 39 20.119 5.660 -9.556 1.00 64.55 H new ATOM 0 HG3 LYS A 39 21.870 5.726 -9.519 1.00 64.55 H new ATOM 0 HD2 LYS A 39 21.733 5.522 -12.117 1.00 71.20 H new ATOM 0 HD3 LYS A 39 20.039 5.928 -11.926 1.00 71.20 H new ATOM 0 HE2 LYS A 39 20.475 8.102 -11.321 1.00 33.44 H new ATOM 0 HE3 LYS A 39 21.936 7.685 -10.448 1.00 33.44 H new ATOM 0 HZ1 LYS A 39 22.433 8.961 -12.430 1.00 71.31 H new ATOM 0 HZ2 LYS A 39 23.087 7.400 -12.566 1.00 71.31 H new ATOM 0 HZ3 LYS A 39 21.671 7.804 -13.412 1.00 71.31 H new ATOM 558 N LYS A 40 20.441 1.103 -11.560 1.00 43.24 N ATOM 559 CA LYS A 40 20.612 -0.344 -11.614 1.00 4.23 C ATOM 560 C LYS A 40 21.798 -0.783 -10.761 1.00 65.22 C ATOM 561 O LYS A 40 22.950 -0.490 -11.085 1.00 34.43 O ATOM 562 CB LYS A 40 20.813 -0.801 -13.060 1.00 60.32 C ATOM 563 CG LYS A 40 19.550 -1.342 -13.708 1.00 21.12 C ATOM 564 CD LYS A 40 19.086 -2.626 -13.040 1.00 3.54 C ATOM 565 CE LYS A 40 18.033 -3.339 -13.873 1.00 62.15 C ATOM 566 NZ LYS A 40 18.535 -3.669 -15.236 1.00 71.31 N ATOM 0 H LYS A 40 20.809 1.601 -12.371 1.00 43.24 H new ATOM 0 HA LYS A 40 19.709 -0.807 -11.216 1.00 4.23 H new ATOM 0 HB2 LYS A 40 21.183 0.038 -13.649 1.00 60.32 H new ATOM 0 HB3 LYS A 40 21.583 -1.572 -13.085 1.00 60.32 H new ATOM 0 HG2 LYS A 40 18.760 -0.594 -13.648 1.00 21.12 H new ATOM 0 HG3 LYS A 40 19.734 -1.527 -14.766 1.00 21.12 H new ATOM 0 HD2 LYS A 40 19.939 -3.287 -12.887 1.00 3.54 H new ATOM 0 HD3 LYS A 40 18.679 -2.398 -12.055 1.00 3.54 H new ATOM 0 HE2 LYS A 40 17.728 -4.255 -13.367 1.00 62.15 H new ATOM 0 HE3 LYS A 40 17.147 -2.710 -13.955 1.00 62.15 H new ATOM 0 HZ1 LYS A 40 18.271 -4.646 -15.476 1.00 71.31 H new ATOM 0 HZ2 LYS A 40 18.115 -3.017 -15.928 1.00 71.31 H new ATOM 0 HZ3 LYS A 40 19.571 -3.575 -15.257 1.00 71.31 H new ATOM 580 N ARG A 41 21.510 -1.488 -9.672 1.00 73.12 N ATOM 581 CA ARG A 41 22.553 -1.968 -8.774 1.00 10.02 C ATOM 582 C ARG A 41 22.833 -3.450 -9.008 1.00 41.52 C ATOM 583 O ARG A 41 22.016 -4.307 -8.673 1.00 54.30 O ATOM 584 CB ARG A 41 22.146 -1.739 -7.317 1.00 61.10 C ATOM 585 CG ARG A 41 21.947 -0.274 -6.963 1.00 73.43 C ATOM 586 CD ARG A 41 23.246 0.508 -7.075 1.00 61.34 C ATOM 587 NE ARG A 41 24.240 0.060 -6.103 1.00 70.05 N ATOM 588 CZ ARG A 41 24.142 0.280 -4.797 1.00 53.22 C ATOM 589 NH1 ARG A 41 23.099 0.938 -4.309 1.00 43.31 N ATOM 590 NH2 ARG A 41 25.087 -0.159 -3.976 1.00 41.32 N ATOM 0 H ARG A 41 20.562 -1.739 -9.390 1.00 73.12 H new ATOM 0 HA ARG A 41 23.464 -1.407 -8.983 1.00 10.02 H new ATOM 0 HB2 ARG A 41 21.222 -2.281 -7.117 1.00 61.10 H new ATOM 0 HB3 ARG A 41 22.910 -2.161 -6.664 1.00 61.10 H new ATOM 0 HG2 ARG A 41 21.200 0.163 -7.625 1.00 73.43 H new ATOM 0 HG3 ARG A 41 21.559 -0.193 -5.948 1.00 73.43 H new ATOM 0 HD2 ARG A 41 23.649 0.399 -8.082 1.00 61.34 H new ATOM 0 HD3 ARG A 41 23.045 1.569 -6.925 1.00 61.34 H new ATOM 0 HE ARG A 41 25.054 -0.450 -6.446 1.00 70.05 H new ATOM 0 HH11 ARG A 41 22.370 1.276 -4.937 1.00 43.31 H new ATOM 0 HH12 ARG A 41 23.026 1.106 -3.306 1.00 43.31 H new ATOM 0 HH21 ARG A 41 25.890 -0.666 -4.348 1.00 41.32 H new ATOM 0 HH22 ARG A 41 25.010 0.011 -2.973 1.00 41.32 H new ATOM 604 N SER A 42 23.993 -3.743 -9.586 1.00 45.01 N ATOM 605 CA SER A 42 24.380 -5.120 -9.869 1.00 73.34 C ATOM 606 C SER A 42 23.347 -5.801 -10.763 1.00 64.10 C ATOM 607 O SER A 42 23.125 -7.007 -10.666 1.00 72.11 O ATOM 608 CB SER A 42 24.540 -5.906 -8.566 1.00 41.43 C ATOM 609 OG SER A 42 25.621 -6.818 -8.651 1.00 20.05 O ATOM 0 H SER A 42 24.682 -3.045 -9.868 1.00 45.01 H new ATOM 0 HA SER A 42 25.335 -5.102 -10.394 1.00 73.34 H new ATOM 0 HB2 SER A 42 24.707 -5.216 -7.739 1.00 41.43 H new ATOM 0 HB3 SER A 42 23.619 -6.447 -8.349 1.00 41.43 H new ATOM 0 HG SER A 42 25.704 -7.307 -7.806 1.00 20.05 H new ATOM 615 N GLY A 43 22.719 -5.017 -11.634 1.00 61.43 N ATOM 616 CA GLY A 43 21.717 -5.561 -12.533 1.00 5.21 C ATOM 617 C GLY A 43 20.349 -5.653 -11.888 1.00 32.11 C ATOM 618 O GLY A 43 19.439 -6.277 -12.434 1.00 53.10 O ATOM 0 H GLY A 43 22.886 -4.016 -11.733 1.00 61.43 H new ATOM 0 HA2 GLY A 43 21.654 -4.935 -13.423 1.00 5.21 H new ATOM 0 HA3 GLY A 43 22.028 -6.553 -12.861 1.00 5.21 H new ATOM 622 N ARG A 44 20.203 -5.032 -10.722 1.00 73.11 N ATOM 623 CA ARG A 44 18.936 -5.050 -10.001 1.00 10.44 C ATOM 624 C ARG A 44 18.357 -3.643 -9.885 1.00 12.42 C ATOM 625 O ARG A 44 19.052 -2.684 -9.547 1.00 63.35 O ATOM 626 CB ARG A 44 19.127 -5.650 -8.607 1.00 33.42 C ATOM 627 CG ARG A 44 19.646 -7.079 -8.625 1.00 43.31 C ATOM 628 CD ARG A 44 18.641 -8.029 -9.256 1.00 32.21 C ATOM 629 NE ARG A 44 19.029 -9.427 -9.087 1.00 34.10 N ATOM 630 CZ ARG A 44 20.026 -9.999 -9.753 1.00 10.45 C ATOM 631 NH1 ARG A 44 20.733 -9.296 -10.627 1.00 11.44 N ATOM 632 NH2 ARG A 44 20.318 -11.276 -9.544 1.00 24.01 N ATOM 0 H ARG A 44 20.946 -4.511 -10.257 1.00 73.11 H new ATOM 0 HA ARG A 44 18.236 -5.668 -10.563 1.00 10.44 H new ATOM 0 HB2 ARG A 44 19.822 -5.027 -8.045 1.00 33.42 H new ATOM 0 HB3 ARG A 44 18.175 -5.625 -8.076 1.00 33.42 H new ATOM 0 HG2 ARG A 44 20.584 -7.120 -9.179 1.00 43.31 H new ATOM 0 HG3 ARG A 44 19.863 -7.401 -7.607 1.00 43.31 H new ATOM 0 HD2 ARG A 44 17.660 -7.868 -8.809 1.00 32.21 H new ATOM 0 HD3 ARG A 44 18.548 -7.805 -10.319 1.00 32.21 H new ATOM 0 HE ARG A 44 18.506 -9.995 -8.421 1.00 34.10 H new ATOM 0 HH11 ARG A 44 20.512 -8.314 -10.789 1.00 11.44 H new ATOM 0 HH12 ARG A 44 21.498 -9.738 -11.137 1.00 11.44 H new ATOM 0 HH21 ARG A 44 19.777 -11.819 -8.872 1.00 24.01 H new ATOM 0 HH22 ARG A 44 21.084 -11.714 -10.056 1.00 24.01 H new ATOM 646 N PRO A 45 17.053 -3.514 -10.172 1.00 11.35 N ATOM 647 CA PRO A 45 16.351 -2.228 -10.107 1.00 24.14 C ATOM 648 C PRO A 45 16.186 -1.729 -8.675 1.00 64.42 C ATOM 649 O PRO A 45 15.217 -2.069 -7.995 1.00 63.44 O ATOM 650 CB PRO A 45 14.986 -2.537 -10.726 1.00 21.41 C ATOM 651 CG PRO A 45 14.793 -3.998 -10.506 1.00 74.11 C ATOM 652 CD PRO A 45 16.163 -4.613 -10.580 1.00 73.15 C ATOM 0 HA PRO A 45 16.899 -1.439 -10.622 1.00 24.14 H new ATOM 0 HB2 PRO A 45 14.195 -1.957 -10.250 1.00 21.41 H new ATOM 0 HB3 PRO A 45 14.968 -2.291 -11.788 1.00 21.41 H new ATOM 0 HG2 PRO A 45 14.331 -4.189 -9.537 1.00 74.11 H new ATOM 0 HG3 PRO A 45 14.133 -4.423 -11.263 1.00 74.11 H new ATOM 0 HD2 PRO A 45 16.254 -5.472 -9.915 1.00 73.15 H new ATOM 0 HD3 PRO A 45 16.392 -4.963 -11.586 1.00 73.15 H new ATOM 660 N THR A 46 17.139 -0.920 -8.222 1.00 32.24 N ATOM 661 CA THR A 46 17.099 -0.375 -6.871 1.00 22.04 C ATOM 662 C THR A 46 16.701 1.096 -6.883 1.00 13.31 C ATOM 663 O THR A 46 17.233 1.888 -7.661 1.00 63.03 O ATOM 664 CB THR A 46 18.461 -0.520 -6.166 1.00 62.41 C ATOM 665 OG1 THR A 46 18.814 -1.904 -6.063 1.00 23.31 O ATOM 666 CG2 THR A 46 18.422 0.103 -4.779 1.00 22.01 C ATOM 0 H THR A 46 17.948 -0.628 -8.771 1.00 32.24 H new ATOM 0 HA THR A 46 16.351 -0.947 -6.322 1.00 22.04 H new ATOM 0 HB THR A 46 19.210 0.003 -6.760 1.00 62.41 H new ATOM 0 HG1 THR A 46 19.682 -1.988 -5.615 1.00 23.31 H new ATOM 0 HG21 THR A 46 19.395 -0.012 -4.301 1.00 22.01 H new ATOM 0 HG22 THR A 46 18.182 1.163 -4.863 1.00 22.01 H new ATOM 0 HG23 THR A 46 17.661 -0.395 -4.178 1.00 22.01 H new ATOM 674 N CYS A 47 15.761 1.457 -6.015 1.00 42.22 N ATOM 675 CA CYS A 47 15.291 2.834 -5.925 1.00 52.25 C ATOM 676 C CYS A 47 15.950 3.559 -4.755 1.00 72.03 C ATOM 677 O CYS A 47 15.809 3.154 -3.601 1.00 55.23 O ATOM 678 CB CYS A 47 13.769 2.866 -5.768 1.00 3.21 C ATOM 679 SG CYS A 47 12.952 4.193 -6.711 1.00 72.13 S ATOM 0 H CYS A 47 15.310 0.814 -5.364 1.00 42.22 H new ATOM 0 HA CYS A 47 15.565 3.346 -6.847 1.00 52.25 H new ATOM 0 HB2 CYS A 47 13.362 1.906 -6.085 1.00 3.21 H new ATOM 0 HB3 CYS A 47 13.526 2.983 -4.712 1.00 3.21 H new ATOM 684 N VAL A 48 16.670 4.633 -5.062 1.00 1.32 N ATOM 685 CA VAL A 48 17.350 5.416 -4.037 1.00 30.14 C ATOM 686 C VAL A 48 16.707 6.789 -3.876 1.00 73.34 C ATOM 687 O VAL A 48 16.204 7.367 -4.840 1.00 42.42 O ATOM 688 CB VAL A 48 18.844 5.596 -4.367 1.00 14.35 C ATOM 689 CG1 VAL A 48 19.628 5.956 -3.114 1.00 14.42 C ATOM 690 CG2 VAL A 48 19.402 4.337 -5.011 1.00 62.14 C ATOM 0 H VAL A 48 16.798 4.981 -6.012 1.00 1.32 H new ATOM 0 HA VAL A 48 17.256 4.863 -3.103 1.00 30.14 H new ATOM 0 HB VAL A 48 18.945 6.416 -5.078 1.00 14.35 H new ATOM 0 HG11 VAL A 48 20.681 6.079 -3.367 1.00 14.42 H new ATOM 0 HG12 VAL A 48 19.243 6.888 -2.699 1.00 14.42 H new ATOM 0 HG13 VAL A 48 19.522 5.160 -2.377 1.00 14.42 H new ATOM 0 HG21 VAL A 48 20.458 4.482 -5.238 1.00 62.14 H new ATOM 0 HG22 VAL A 48 19.290 3.497 -4.325 1.00 62.14 H new ATOM 0 HG23 VAL A 48 18.859 4.128 -5.933 1.00 62.14 H new ATOM 700 N CYS A 49 16.726 7.306 -2.653 1.00 32.25 N ATOM 701 CA CYS A 49 16.145 8.611 -2.364 1.00 53.42 C ATOM 702 C CYS A 49 17.220 9.600 -1.922 1.00 60.22 C ATOM 703 O CYS A 49 18.347 9.211 -1.615 1.00 20.12 O ATOM 704 CB CYS A 49 15.073 8.488 -1.279 1.00 62.42 C ATOM 705 SG CYS A 49 13.378 8.801 -1.869 1.00 62.40 S ATOM 0 H CYS A 49 17.138 6.840 -1.845 1.00 32.25 H new ATOM 0 HA CYS A 49 15.685 8.985 -3.279 1.00 53.42 H new ATOM 0 HB2 CYS A 49 15.118 7.487 -0.851 1.00 62.42 H new ATOM 0 HB3 CYS A 49 15.302 9.189 -0.476 1.00 62.42 H new ATOM 710 N TYR A 50 16.863 10.879 -1.893 1.00 4.03 N ATOM 711 CA TYR A 50 17.798 11.924 -1.491 1.00 34.25 C ATOM 712 C TYR A 50 17.054 13.138 -0.943 1.00 50.32 C ATOM 713 O TYR A 50 15.826 13.206 -1.000 1.00 20.32 O ATOM 714 CB TYR A 50 18.672 12.338 -2.675 1.00 3.42 C ATOM 715 CG TYR A 50 19.553 11.225 -3.197 1.00 15.25 C ATOM 716 CD1 TYR A 50 20.815 11.002 -2.660 1.00 34.22 C ATOM 717 CD2 TYR A 50 19.123 10.398 -4.226 1.00 71.35 C ATOM 718 CE1 TYR A 50 21.623 9.986 -3.134 1.00 12.45 C ATOM 719 CE2 TYR A 50 19.924 9.379 -4.705 1.00 54.05 C ATOM 720 CZ TYR A 50 21.173 9.177 -4.156 1.00 54.50 C ATOM 721 OH TYR A 50 21.974 8.165 -4.631 1.00 72.34 O ATOM 0 H TYR A 50 15.934 11.217 -2.143 1.00 4.03 H new ATOM 0 HA TYR A 50 18.434 11.524 -0.702 1.00 34.25 H new ATOM 0 HB2 TYR A 50 18.031 12.692 -3.483 1.00 3.42 H new ATOM 0 HB3 TYR A 50 19.300 13.177 -2.376 1.00 3.42 H new ATOM 0 HD1 TYR A 50 21.170 11.633 -1.859 1.00 34.22 H new ATOM 0 HD2 TYR A 50 18.146 10.554 -4.659 1.00 71.35 H new ATOM 0 HE1 TYR A 50 22.602 9.826 -2.706 1.00 12.45 H new ATOM 0 HE2 TYR A 50 19.574 8.744 -5.505 1.00 54.05 H new ATOM 0 HH TYR A 50 21.508 7.689 -5.350 1.00 72.34 H new ATOM 731 N ARG A 51 17.808 14.096 -0.414 1.00 52.40 N ATOM 732 CA ARG A 51 17.222 15.309 0.144 1.00 33.13 C ATOM 733 C ARG A 51 16.110 14.970 1.133 1.00 20.01 C ATOM 734 O ARG A 51 15.167 15.741 1.312 1.00 51.22 O ATOM 735 CB ARG A 51 16.671 16.196 -0.974 1.00 4.44 C ATOM 736 CG ARG A 51 17.712 16.583 -2.012 1.00 75.44 C ATOM 737 CD ARG A 51 17.559 18.034 -2.441 1.00 73.41 C ATOM 738 NE ARG A 51 18.849 18.703 -2.576 1.00 45.31 N ATOM 739 CZ ARG A 51 19.018 19.850 -3.226 1.00 23.42 C ATOM 740 NH1 ARG A 51 17.983 20.451 -3.797 1.00 24.45 N ATOM 741 NH2 ARG A 51 20.224 20.397 -3.305 1.00 43.23 N ATOM 0 H ARG A 51 18.826 14.056 -0.360 1.00 52.40 H new ATOM 0 HA ARG A 51 18.005 15.850 0.675 1.00 33.13 H new ATOM 0 HB2 ARG A 51 15.852 15.675 -1.470 1.00 4.44 H new ATOM 0 HB3 ARG A 51 16.253 17.102 -0.535 1.00 4.44 H new ATOM 0 HG2 ARG A 51 18.710 16.427 -1.603 1.00 75.44 H new ATOM 0 HG3 ARG A 51 17.619 15.933 -2.882 1.00 75.44 H new ATOM 0 HD2 ARG A 51 17.027 18.077 -3.391 1.00 73.41 H new ATOM 0 HD3 ARG A 51 16.949 18.566 -1.710 1.00 73.41 H new ATOM 0 HE ARG A 51 19.666 18.266 -2.148 1.00 45.31 H new ATOM 0 HH11 ARG A 51 17.054 20.033 -3.738 1.00 24.45 H new ATOM 0 HH12 ARG A 51 18.116 21.331 -4.295 1.00 24.45 H new ATOM 0 HH21 ARG A 51 21.022 19.937 -2.867 1.00 43.23 H new ATOM 0 HH22 ARG A 51 20.353 21.277 -3.804 1.00 43.23 H new ATOM 755 N CYS A 52 16.227 13.811 1.773 1.00 43.22 N ATOM 756 CA CYS A 52 15.233 13.369 2.743 1.00 60.53 C ATOM 757 C CYS A 52 15.333 14.178 4.033 1.00 65.44 C ATOM 758 O CYS A 52 16.234 15.001 4.192 1.00 13.32 O ATOM 759 CB CYS A 52 15.413 11.880 3.046 1.00 25.21 C ATOM 760 SG CYS A 52 13.851 10.976 3.291 1.00 12.20 S ATOM 0 H CYS A 52 17.001 13.161 1.637 1.00 43.22 H new ATOM 0 HA CYS A 52 14.245 13.529 2.311 1.00 60.53 H new ATOM 0 HB2 CYS A 52 15.963 11.418 2.227 1.00 25.21 H new ATOM 0 HB3 CYS A 52 16.026 11.774 3.941 1.00 25.21 H new ATOM 765 N ALA A 53 14.403 13.936 4.950 1.00 32.11 N ATOM 766 CA ALA A 53 14.388 14.640 6.227 1.00 74.35 C ATOM 767 C ALA A 53 14.817 13.721 7.365 1.00 33.32 C ATOM 768 O ALA A 53 15.381 14.172 8.361 1.00 55.41 O ATOM 769 CB ALA A 53 13.003 15.209 6.499 1.00 42.34 C ATOM 0 H ALA A 53 13.650 13.258 4.833 1.00 32.11 H new ATOM 0 HA ALA A 53 15.102 15.462 6.170 1.00 74.35 H new ATOM 0 HB1 ALA A 53 13.006 15.732 7.455 1.00 42.34 H new ATOM 0 HB2 ALA A 53 12.734 15.906 5.705 1.00 42.34 H new ATOM 0 HB3 ALA A 53 12.276 14.397 6.531 1.00 42.34 H new ATOM 775 N ASN A 54 14.545 12.429 7.211 1.00 31.23 N ATOM 776 CA ASN A 54 14.902 11.446 8.228 1.00 1.21 C ATOM 777 C ASN A 54 16.285 10.862 7.958 1.00 61.45 C ATOM 778 O ASN A 54 16.631 9.797 8.467 1.00 20.42 O ATOM 779 CB ASN A 54 13.862 10.325 8.271 1.00 12.14 C ATOM 780 CG ASN A 54 13.898 9.553 9.576 1.00 13.12 C ATOM 781 OD1 ASN A 54 13.407 10.024 10.603 1.00 63.04 O ATOM 782 ND2 ASN A 54 14.481 8.360 9.542 1.00 14.40 N ATOM 0 H ASN A 54 14.079 12.038 6.392 1.00 31.23 H new ATOM 0 HA ASN A 54 14.922 11.950 9.194 1.00 1.21 H new ATOM 0 HB2 ASN A 54 12.868 10.750 8.130 1.00 12.14 H new ATOM 0 HB3 ASN A 54 14.036 9.640 7.442 1.00 12.14 H new ATOM 0 HD21 ASN A 54 14.535 7.795 10.389 1.00 14.40 H new ATOM 0 HD22 ASN A 54 14.874 8.009 8.669 1.00 14.40 H new ATOM 789 N GLY A 55 17.073 11.567 7.151 1.00 12.24 N ATOM 790 CA GLY A 55 18.409 11.103 6.827 1.00 1.23 C ATOM 791 C GLY A 55 19.130 12.033 5.872 1.00 50.40 C ATOM 792 O GLY A 55 20.354 12.146 5.910 1.00 45.14 O ATOM 0 H GLY A 55 16.809 12.451 6.716 1.00 12.24 H new ATOM 0 HA2 GLY A 55 18.990 11.008 7.745 1.00 1.23 H new ATOM 0 HA3 GLY A 55 18.348 10.109 6.384 1.00 1.23 H new ATOM 796 N GLY A 56 18.368 12.701 5.011 1.00 43.43 N ATOM 797 CA GLY A 56 18.960 13.616 4.052 1.00 13.30 C ATOM 798 C GLY A 56 19.957 12.933 3.137 1.00 32.04 C ATOM 799 O GLY A 56 21.136 13.284 3.120 1.00 32.11 O ATOM 0 H GLY A 56 17.352 12.625 4.960 1.00 43.43 H new ATOM 0 HA2 GLY A 56 18.171 14.068 3.451 1.00 13.30 H new ATOM 0 HA3 GLY A 56 19.457 14.425 4.586 1.00 13.30 H new ATOM 803 N GLY A 57 19.483 11.952 2.375 1.00 30.22 N ATOM 804 CA GLY A 57 20.355 11.232 1.466 1.00 61.22 C ATOM 805 C GLY A 57 19.756 9.917 1.008 1.00 63.33 C ATOM 806 O GLY A 57 18.549 9.819 0.790 1.00 15.11 O ATOM 0 H GLY A 57 18.511 11.643 2.371 1.00 30.22 H new ATOM 0 HA2 GLY A 57 20.563 11.856 0.596 1.00 61.22 H new ATOM 0 HA3 GLY A 57 21.309 11.042 1.957 1.00 61.22 H new ATOM 810 N ASP A 58 20.602 8.903 0.859 1.00 3.33 N ATOM 811 CA ASP A 58 20.150 7.587 0.423 1.00 10.31 C ATOM 812 C ASP A 58 19.237 6.953 1.468 1.00 71.24 C ATOM 813 O ASP A 58 19.694 6.527 2.529 1.00 52.11 O ATOM 814 CB ASP A 58 21.348 6.676 0.154 1.00 24.11 C ATOM 815 CG ASP A 58 22.369 6.715 1.275 1.00 74.12 C ATOM 816 OD1 ASP A 58 22.443 5.734 2.044 1.00 24.40 O ATOM 817 OD2 ASP A 58 23.093 7.726 1.382 1.00 12.33 O ATOM 0 H ASP A 58 21.605 8.968 1.034 1.00 3.33 H new ATOM 0 HA ASP A 58 19.584 7.711 -0.500 1.00 10.31 H new ATOM 0 HB2 ASP A 58 20.999 5.652 0.020 1.00 24.11 H new ATOM 0 HB3 ASP A 58 21.826 6.975 -0.779 1.00 24.11 H new ATOM 822 N ILE A 59 17.946 6.894 1.160 1.00 53.31 N ATOM 823 CA ILE A 59 16.969 6.312 2.072 1.00 62.00 C ATOM 824 C ILE A 59 15.927 5.496 1.314 1.00 2.32 C ATOM 825 O ILE A 59 15.054 6.036 0.634 1.00 4.21 O ATOM 826 CB ILE A 59 16.254 7.397 2.898 1.00 33.03 C ATOM 827 CG1 ILE A 59 17.257 8.447 3.380 1.00 63.13 C ATOM 828 CG2 ILE A 59 15.527 6.770 4.079 1.00 40.40 C ATOM 829 CD1 ILE A 59 18.133 7.969 4.517 1.00 50.02 C ATOM 0 H ILE A 59 17.552 7.242 0.286 1.00 53.31 H new ATOM 0 HA ILE A 59 17.519 5.657 2.747 1.00 62.00 H new ATOM 0 HB ILE A 59 15.518 7.890 2.263 1.00 33.03 H new ATOM 0 HG12 ILE A 59 17.890 8.743 2.544 1.00 63.13 H new ATOM 0 HG13 ILE A 59 16.714 9.337 3.700 1.00 63.13 H new ATOM 0 HG21 ILE A 59 15.026 7.549 4.653 1.00 40.40 H new ATOM 0 HG22 ILE A 59 14.788 6.057 3.714 1.00 40.40 H new ATOM 0 HG23 ILE A 59 16.245 6.254 4.716 1.00 40.40 H new ATOM 0 HD11 ILE A 59 18.819 8.765 4.807 1.00 50.02 H new ATOM 0 HD12 ILE A 59 17.509 7.700 5.369 1.00 50.02 H new ATOM 0 HD13 ILE A 59 18.703 7.098 4.195 1.00 50.02 H new ATOM 841 N PRO A 60 16.017 4.163 1.434 1.00 4.42 N ATOM 842 CA PRO A 60 15.089 3.244 0.770 1.00 50.14 C ATOM 843 C PRO A 60 13.688 3.301 1.369 1.00 50.42 C ATOM 844 O PRO A 60 13.519 3.602 2.551 1.00 22.14 O ATOM 845 CB PRO A 60 15.718 1.869 1.010 1.00 13.44 C ATOM 846 CG PRO A 60 16.527 2.035 2.250 1.00 43.00 C ATOM 847 CD PRO A 60 17.032 3.451 2.229 1.00 44.25 C ATOM 0 HA PRO A 60 14.957 3.489 -0.284 1.00 50.14 H new ATOM 0 HB2 PRO A 60 14.955 1.101 1.135 1.00 13.44 H new ATOM 0 HB3 PRO A 60 16.341 1.566 0.168 1.00 13.44 H new ATOM 0 HG2 PRO A 60 15.923 1.849 3.138 1.00 43.00 H new ATOM 0 HG3 PRO A 60 17.355 1.326 2.274 1.00 43.00 H new ATOM 0 HD2 PRO A 60 17.116 3.863 3.235 1.00 44.25 H new ATOM 0 HD3 PRO A 60 18.020 3.519 1.773 1.00 44.25 H new ATOM 855 N LEU A 61 12.686 3.011 0.547 1.00 53.34 N ATOM 856 CA LEU A 61 11.298 3.029 0.996 1.00 51.21 C ATOM 857 C LEU A 61 11.130 2.218 2.277 1.00 53.22 C ATOM 858 O LEU A 61 10.198 2.443 3.048 1.00 1.02 O ATOM 859 CB LEU A 61 10.381 2.476 -0.096 1.00 34.31 C ATOM 860 CG LEU A 61 9.754 3.508 -1.033 1.00 53.51 C ATOM 861 CD1 LEU A 61 8.643 4.268 -0.324 1.00 73.54 C ATOM 862 CD2 LEU A 61 10.813 4.470 -1.552 1.00 13.44 C ATOM 0 H LEU A 61 12.808 2.761 -0.434 1.00 53.34 H new ATOM 0 HA LEU A 61 11.022 4.063 1.204 1.00 51.21 H new ATOM 0 HB2 LEU A 61 10.952 1.768 -0.697 1.00 34.31 H new ATOM 0 HB3 LEU A 61 9.579 1.914 0.382 1.00 34.31 H new ATOM 0 HG LEU A 61 9.321 2.982 -1.884 1.00 53.51 H new ATOM 0 HD11 LEU A 61 8.209 4.998 -1.007 1.00 73.54 H new ATOM 0 HD12 LEU A 61 7.872 3.568 -0.002 1.00 73.54 H new ATOM 0 HD13 LEU A 61 9.052 4.783 0.546 1.00 73.54 H new ATOM 0 HD21 LEU A 61 10.349 5.198 -2.218 1.00 13.44 H new ATOM 0 HD22 LEU A 61 11.276 4.989 -0.713 1.00 13.44 H new ATOM 0 HD23 LEU A 61 11.574 3.913 -2.098 1.00 13.44 H new ATOM 874 N GLY A 62 12.040 1.274 2.498 1.00 40.53 N ATOM 875 CA GLY A 62 11.976 0.446 3.687 1.00 33.23 C ATOM 876 C GLY A 62 12.530 1.146 4.912 1.00 32.13 C ATOM 877 O GLY A 62 12.027 0.963 6.020 1.00 10.14 O ATOM 0 H GLY A 62 12.820 1.068 1.874 1.00 40.53 H new ATOM 0 HA2 GLY A 62 10.940 0.161 3.872 1.00 33.23 H new ATOM 0 HA3 GLY A 62 12.534 -0.475 3.515 1.00 33.23 H new ATOM 881 N ALA A 63 13.570 1.949 4.713 1.00 21.42 N ATOM 882 CA ALA A 63 14.193 2.679 5.811 1.00 73.45 C ATOM 883 C ALA A 63 13.338 3.869 6.233 1.00 31.52 C ATOM 884 O ALA A 63 13.426 4.337 7.369 1.00 50.21 O ATOM 885 CB ALA A 63 15.586 3.142 5.413 1.00 42.24 C ATOM 0 H ALA A 63 13.999 2.111 3.802 1.00 21.42 H new ATOM 0 HA ALA A 63 14.276 2.004 6.663 1.00 73.45 H new ATOM 0 HB1 ALA A 63 16.039 3.686 6.242 1.00 42.24 H new ATOM 0 HB2 ALA A 63 16.201 2.276 5.167 1.00 42.24 H new ATOM 0 HB3 ALA A 63 15.517 3.797 4.544 1.00 42.24 H new ATOM 891 N LEU A 64 12.512 4.354 5.313 1.00 34.22 N ATOM 892 CA LEU A 64 11.640 5.491 5.590 1.00 24.45 C ATOM 893 C LEU A 64 10.319 5.029 6.197 1.00 23.03 C ATOM 894 O LEU A 64 9.398 5.825 6.381 1.00 73.24 O ATOM 895 CB LEU A 64 11.377 6.281 4.308 1.00 51.23 C ATOM 896 CG LEU A 64 12.152 7.590 4.155 1.00 43.22 C ATOM 897 CD1 LEU A 64 12.272 7.972 2.687 1.00 33.54 C ATOM 898 CD2 LEU A 64 11.480 8.704 4.944 1.00 33.21 C ATOM 0 H LEU A 64 12.427 3.978 4.369 1.00 34.22 H new ATOM 0 HA LEU A 64 12.143 6.136 6.310 1.00 24.45 H new ATOM 0 HB2 LEU A 64 11.611 5.642 3.457 1.00 51.23 H new ATOM 0 HB3 LEU A 64 10.312 6.505 4.255 1.00 51.23 H new ATOM 0 HG LEU A 64 13.156 7.443 4.554 1.00 43.22 H new ATOM 0 HD11 LEU A 64 12.827 8.906 2.598 1.00 33.54 H new ATOM 0 HD12 LEU A 64 12.799 7.185 2.148 1.00 33.54 H new ATOM 0 HD13 LEU A 64 11.277 8.099 2.262 1.00 33.54 H new ATOM 0 HD21 LEU A 64 12.046 9.628 4.823 1.00 33.21 H new ATOM 0 HD22 LEU A 64 10.465 8.849 4.575 1.00 33.21 H new ATOM 0 HD23 LEU A 64 11.448 8.434 6.000 1.00 33.21 H new ATOM 910 N ILE A 65 10.236 3.740 6.509 1.00 74.05 N ATOM 911 CA ILE A 65 9.029 3.174 7.098 1.00 73.21 C ATOM 912 C ILE A 65 8.824 3.677 8.523 1.00 43.33 C ATOM 913 O ILE A 65 9.772 3.768 9.303 1.00 2.02 O ATOM 914 CB ILE A 65 9.077 1.635 7.112 1.00 65.55 C ATOM 915 CG1 ILE A 65 9.096 1.090 5.682 1.00 40.54 C ATOM 916 CG2 ILE A 65 7.892 1.074 7.882 1.00 35.21 C ATOM 917 CD1 ILE A 65 9.147 -0.420 5.610 1.00 10.42 C ATOM 0 H ILE A 65 10.990 3.068 6.364 1.00 74.05 H new ATOM 0 HA ILE A 65 8.194 3.498 6.477 1.00 73.21 H new ATOM 0 HB ILE A 65 9.992 1.320 7.613 1.00 65.55 H new ATOM 0 HG12 ILE A 65 8.208 1.441 5.157 1.00 40.54 H new ATOM 0 HG13 ILE A 65 9.959 1.500 5.157 1.00 40.54 H new ATOM 0 HG21 ILE A 65 7.941 -0.015 7.882 1.00 35.21 H new ATOM 0 HG22 ILE A 65 7.920 1.439 8.909 1.00 35.21 H new ATOM 0 HG23 ILE A 65 6.965 1.395 7.408 1.00 35.21 H new ATOM 0 HD11 ILE A 65 9.158 -0.734 4.566 1.00 10.42 H new ATOM 0 HD12 ILE A 65 10.049 -0.778 6.106 1.00 10.42 H new ATOM 0 HD13 ILE A 65 8.271 -0.838 6.105 1.00 10.42 H new ATOM 929 N LYS A 66 7.580 4.003 8.857 1.00 60.54 N ATOM 930 CA LYS A 66 7.248 4.494 10.189 1.00 44.23 C ATOM 931 C LYS A 66 6.157 3.641 10.827 1.00 2.15 C ATOM 932 O LYS A 66 5.729 3.904 11.951 1.00 10.04 O ATOM 933 CB LYS A 66 6.793 5.954 10.117 1.00 24.44 C ATOM 934 CG LYS A 66 7.783 6.865 9.413 1.00 51.52 C ATOM 935 CD LYS A 66 7.111 8.129 8.902 1.00 12.02 C ATOM 936 CE LYS A 66 6.271 7.853 7.664 1.00 22.45 C ATOM 937 NZ LYS A 66 4.868 8.323 7.830 1.00 50.04 N ATOM 0 H LYS A 66 6.784 3.936 8.223 1.00 60.54 H new ATOM 0 HA LYS A 66 8.143 4.428 10.807 1.00 44.23 H new ATOM 0 HB2 LYS A 66 5.835 6.002 9.599 1.00 24.44 H new ATOM 0 HB3 LYS A 66 6.627 6.324 11.129 1.00 24.44 H new ATOM 0 HG2 LYS A 66 8.586 7.131 10.100 1.00 51.52 H new ATOM 0 HG3 LYS A 66 8.240 6.332 8.579 1.00 51.52 H new ATOM 0 HD2 LYS A 66 6.480 8.549 9.685 1.00 12.02 H new ATOM 0 HD3 LYS A 66 7.869 8.877 8.669 1.00 12.02 H new ATOM 0 HE2 LYS A 66 6.720 8.347 6.803 1.00 22.45 H new ATOM 0 HE3 LYS A 66 6.273 6.783 7.455 1.00 22.45 H new ATOM 0 HZ1 LYS A 66 4.328 8.117 6.965 1.00 50.04 H new ATOM 0 HZ2 LYS A 66 4.431 7.833 8.636 1.00 50.04 H new ATOM 0 HZ3 LYS A 66 4.864 9.348 8.005 1.00 50.04 H new ATOM 951 N ARG A 67 5.713 2.618 10.105 1.00 52.34 N ATOM 952 CA ARG A 67 4.672 1.727 10.601 1.00 32.45 C ATOM 953 C ARG A 67 5.282 0.522 11.312 1.00 14.04 C ATOM 954 O ARG A 67 4.578 -0.421 11.672 1.00 62.22 O ATOM 955 CB ARG A 67 3.781 1.256 9.450 1.00 25.10 C ATOM 956 CG ARG A 67 2.790 2.307 8.978 1.00 62.24 C ATOM 957 CD ARG A 67 3.462 3.351 8.099 1.00 75.43 C ATOM 958 NE ARG A 67 2.496 4.084 7.285 1.00 13.33 N ATOM 959 CZ ARG A 67 2.837 5.011 6.397 1.00 13.20 C ATOM 960 NH1 ARG A 67 4.113 5.316 6.208 1.00 23.35 N ATOM 961 NH2 ARG A 67 1.900 5.635 5.695 1.00 53.43 N ATOM 0 H ARG A 67 6.058 2.386 9.174 1.00 52.34 H new ATOM 0 HA ARG A 67 4.065 2.282 11.317 1.00 32.45 H new ATOM 0 HB2 ARG A 67 4.411 0.960 8.611 1.00 25.10 H new ATOM 0 HB3 ARG A 67 3.233 0.368 9.766 1.00 25.10 H new ATOM 0 HG2 ARG A 67 1.985 1.826 8.423 1.00 62.24 H new ATOM 0 HG3 ARG A 67 2.336 2.794 9.841 1.00 62.24 H new ATOM 0 HD2 ARG A 67 4.014 4.052 8.726 1.00 75.43 H new ATOM 0 HD3 ARG A 67 4.189 2.864 7.449 1.00 75.43 H new ATOM 0 HE ARG A 67 1.505 3.872 7.405 1.00 13.33 H new ATOM 0 HH11 ARG A 67 4.837 4.838 6.745 1.00 23.35 H new ATOM 0 HH12 ARG A 67 4.371 6.028 5.525 1.00 23.35 H new ATOM 0 HH21 ARG A 67 0.917 5.403 5.837 1.00 53.43 H new ATOM 0 HH22 ARG A 67 2.163 6.347 5.013 1.00 53.43 H new ATOM 975 N GLY A 68 6.596 0.561 11.512 1.00 53.34 N ATOM 976 CA GLY A 68 7.278 -0.533 12.178 1.00 40.42 C ATOM 977 C GLY A 68 7.424 -1.752 11.289 1.00 1.21 C ATOM 978 O GLY A 68 8.471 -2.399 11.279 1.00 2.02 O ATOM 0 H GLY A 68 7.200 1.331 11.225 1.00 53.34 H new ATOM 0 HA2 GLY A 68 8.265 -0.200 12.498 1.00 40.42 H new ATOM 0 HA3 GLY A 68 6.727 -0.807 13.077 1.00 40.42 H new TER 982 GLY A 68