USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 626 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 74 ASN : amide:sc= -1.75 X(o=-15,f=-15!) USER MOD Set 1.2: A 77 GLN : amide:sc= -13.2! C(o=-15!,f=-8.6!) USER MOD Set 2.1: A 5 ASN : amide:sc= -4.42! C(o=-9.4!,f=-7.6!) USER MOD Set 2.2: A 42 ASN : amide:sc= -5.02! C(o=-9.4!,f=-7.6!) USER MOD Set 3.1: A 1 SER OG : rot -139:sc= 1.21 USER MOD Set 3.2: A 47 ASN : amide:sc= -5.08! C(o=-3.9!,f=-12!) USER MOD Single : A 0 ALA N :NH3+ 129:sc= 0.106 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 160:sc= -0.0366 (180deg=-0.387) USER MOD Single : A 13 ASN : amide:sc= -23.4! C(o=-23!,f=-16!) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.698 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 159:sc= -8.52! (180deg=-9.61!) USER MOD Single : A 28 THR OG1 : rot 59:sc= 0.321 USER MOD Single : A 29 ASN : amide:sc= -5.24! K(o=-5.2!,f=-1.7) USER MOD Single : A 39 MET CE :methyl -131:sc= -10.1! (180deg=-11.9!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -153:sc= -0.336 (180deg=-1.81!) USER MOD Single : A 58 ASN : amide:sc= -3.22! C(o=-3.2!,f=-1.4!) USER MOD Single : A 65 LYS NZ :NH3+ -154:sc= 0.0957 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 0 1.014 0.000 0.000 1.00 0.00 N ATOM 2 CA ALA A 0 1.497 1.183 0.683 1.00 0.00 C ATOM 3 C ALA A 0 2.548 1.878 -0.171 1.00 0.00 C ATOM 4 O ALA A 0 3.136 1.264 -1.058 1.00 0.00 O ATOM 5 CB ALA A 0 2.077 0.786 2.038 1.00 0.00 C ATOM 0 H1 ALA A 0 1.065 -0.817 0.642 1.00 0.00 H new ATOM 0 H2 ALA A 0 0.028 0.148 -0.295 1.00 0.00 H new ATOM 0 H3 ALA A 0 1.602 -0.182 -0.838 1.00 0.00 H new ATOM 0 HA ALA A 0 0.672 1.877 0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 0 2.441 1.675 2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 0 1.303 0.310 2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 0 2.902 0.089 1.891 1.00 0.00 H new ATOM 13 N SER A 1 2.782 3.165 0.099 1.00 0.00 N ATOM 14 CA SER A 1 3.759 3.935 -0.644 1.00 0.00 C ATOM 15 C SER A 1 5.139 3.313 -0.481 1.00 0.00 C ATOM 16 O SER A 1 5.679 3.272 0.623 1.00 0.00 O ATOM 17 CB SER A 1 3.753 5.377 -0.147 1.00 0.00 C ATOM 18 OG SER A 1 4.590 6.160 -0.969 1.00 0.00 O ATOM 0 H SER A 1 2.302 3.689 0.831 1.00 0.00 H new ATOM 0 HA SER A 1 3.503 3.929 -1.704 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.738 5.774 -0.160 1.00 0.00 H new ATOM 0 HB3 SER A 1 4.098 5.418 0.886 1.00 0.00 H new ATOM 0 HG SER A 1 5.105 6.782 -0.414 1.00 0.00 H new ATOM 24 N PHE A 2 5.711 2.830 -1.586 1.00 0.00 N ATOM 25 CA PHE A 2 7.023 2.215 -1.560 1.00 0.00 C ATOM 26 C PHE A 2 7.732 2.453 -2.885 1.00 0.00 C ATOM 27 O PHE A 2 8.558 1.646 -3.304 1.00 0.00 O ATOM 28 CB PHE A 2 6.879 0.721 -1.284 1.00 0.00 C ATOM 29 CG PHE A 2 7.747 0.231 -0.150 1.00 0.00 C ATOM 30 CD1 PHE A 2 9.084 -0.111 -0.389 1.00 0.00 C ATOM 31 CD2 PHE A 2 7.217 0.120 1.141 1.00 0.00 C ATOM 32 CE1 PHE A 2 9.890 -0.563 0.662 1.00 0.00 C ATOM 33 CE2 PHE A 2 8.023 -0.333 2.192 1.00 0.00 C ATOM 34 CZ PHE A 2 9.359 -0.674 1.953 1.00 0.00 C ATOM 0 H PHE A 2 5.278 2.857 -2.509 1.00 0.00 H new ATOM 0 HA PHE A 2 7.622 2.662 -0.766 1.00 0.00 H new ATOM 0 HB2 PHE A 2 5.836 0.501 -1.054 1.00 0.00 H new ATOM 0 HB3 PHE A 2 7.130 0.167 -2.188 1.00 0.00 H new ATOM 0 HD1 PHE A 2 9.493 -0.026 -1.385 1.00 0.00 H new ATOM 0 HD2 PHE A 2 6.186 0.384 1.326 1.00 0.00 H new ATOM 0 HE1 PHE A 2 10.921 -0.826 0.477 1.00 0.00 H new ATOM 0 HE2 PHE A 2 7.614 -0.419 3.188 1.00 0.00 H new ATOM 0 HZ PHE A 2 9.981 -1.023 2.764 1.00 0.00 H new ATOM 44 N ILE A 3 7.406 3.567 -3.546 1.00 0.00 N ATOM 45 CA ILE A 3 8.011 3.909 -4.818 1.00 0.00 C ATOM 46 C ILE A 3 8.676 5.275 -4.721 1.00 0.00 C ATOM 47 O ILE A 3 9.460 5.522 -3.809 1.00 0.00 O ATOM 48 CB ILE A 3 6.943 3.901 -5.907 1.00 0.00 C ATOM 49 CG1 ILE A 3 5.586 3.580 -5.287 1.00 0.00 C ATOM 50 CG2 ILE A 3 7.288 2.843 -6.951 1.00 0.00 C ATOM 51 CD1 ILE A 3 5.068 4.803 -4.534 1.00 0.00 C ATOM 0 H ILE A 3 6.722 4.245 -3.212 1.00 0.00 H new ATOM 0 HA ILE A 3 8.774 3.174 -5.073 1.00 0.00 H new ATOM 0 HB ILE A 3 6.903 4.881 -6.383 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.878 3.292 -6.064 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.676 2.733 -4.607 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.525 2.837 -7.729 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.257 3.072 -7.395 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.329 1.863 -6.476 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.099 4.574 -4.091 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.773 5.071 -3.747 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.962 5.639 -5.226 1.00 0.00 H new ATOM 63 N ASP A 4 8.359 6.163 -5.667 1.00 0.00 N ATOM 64 CA ASP A 4 8.927 7.496 -5.684 1.00 0.00 C ATOM 65 C ASP A 4 8.637 8.162 -7.021 1.00 0.00 C ATOM 66 O ASP A 4 8.885 7.578 -8.074 1.00 0.00 O ATOM 67 CB ASP A 4 10.430 7.411 -5.436 1.00 0.00 C ATOM 68 CG ASP A 4 11.004 6.122 -6.007 1.00 0.00 C ATOM 69 OD1 ASP A 4 10.724 5.855 -7.196 1.00 0.00 O ATOM 70 OD2 ASP A 4 11.711 5.429 -5.244 1.00 0.00 O ATOM 0 H ASP A 4 7.709 5.973 -6.430 1.00 0.00 H new ATOM 0 HA ASP A 4 8.476 8.098 -4.895 1.00 0.00 H new ATOM 0 HB2 ASP A 4 10.927 8.268 -5.892 1.00 0.00 H new ATOM 0 HB3 ASP A 4 10.629 7.459 -4.365 1.00 0.00 H new ATOM 75 N ASN A 5 8.111 9.388 -6.978 1.00 0.00 N ATOM 76 CA ASN A 5 7.792 10.124 -8.185 1.00 0.00 C ATOM 77 C ASN A 5 7.079 9.214 -9.175 1.00 0.00 C ATOM 78 O ASN A 5 7.105 9.457 -10.379 1.00 0.00 O ATOM 79 CB ASN A 5 9.075 10.683 -8.792 1.00 0.00 C ATOM 80 CG ASN A 5 10.153 10.844 -7.730 1.00 0.00 C ATOM 81 OD1 ASN A 5 11.342 10.762 -8.032 1.00 0.00 O ATOM 82 ND2 ASN A 5 9.736 11.076 -6.484 1.00 0.00 N ATOM 0 H ASN A 5 7.900 9.886 -6.113 1.00 0.00 H new ATOM 0 HA ASN A 5 7.127 10.953 -7.943 1.00 0.00 H new ATOM 0 HB2 ASN A 5 9.430 10.017 -9.578 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.871 11.647 -9.258 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.415 11.194 -5.732 1.00 0.00 H new ATOM 0 HD22 ASN A 5 8.738 11.135 -6.283 1.00 0.00 H new ATOM 89 N THR A 6 6.440 8.159 -8.663 1.00 0.00 N ATOM 90 CA THR A 6 5.724 7.221 -9.503 1.00 0.00 C ATOM 91 C THR A 6 4.382 7.810 -9.911 1.00 0.00 C ATOM 92 O THR A 6 3.336 7.370 -9.437 1.00 0.00 O ATOM 93 CB THR A 6 5.532 5.908 -8.748 1.00 0.00 C ATOM 94 OG1 THR A 6 4.840 4.993 -9.568 1.00 0.00 O ATOM 95 CG2 THR A 6 4.726 6.165 -7.478 1.00 0.00 C ATOM 0 H THR A 6 6.409 7.941 -7.667 1.00 0.00 H new ATOM 0 HA THR A 6 6.300 7.025 -10.407 1.00 0.00 H new ATOM 0 HB THR A 6 6.505 5.495 -8.482 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.717 4.149 -9.085 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.589 5.228 -6.938 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.261 6.873 -6.845 1.00 0.00 H new ATOM 0 HG23 THR A 6 3.752 6.578 -7.742 1.00 0.00 H new ATOM 103 N CYS A 7 4.413 8.809 -10.795 1.00 0.00 N ATOM 104 CA CYS A 7 3.203 9.454 -11.264 1.00 0.00 C ATOM 105 C CYS A 7 2.744 8.805 -12.562 1.00 0.00 C ATOM 106 O CYS A 7 3.418 7.923 -13.090 1.00 0.00 O ATOM 107 CB CYS A 7 3.468 10.943 -11.468 1.00 0.00 C ATOM 108 SG CYS A 7 3.669 11.873 -9.928 1.00 0.00 S ATOM 0 H CYS A 7 5.272 9.185 -11.197 1.00 0.00 H new ATOM 0 HA CYS A 7 2.412 9.337 -10.523 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.367 11.062 -12.072 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.643 11.374 -12.036 1.00 0.00 H new ATOM 113 N ARG A 8 1.592 9.243 -13.076 1.00 0.00 N ATOM 114 CA ARG A 8 1.049 8.704 -14.305 1.00 0.00 C ATOM 115 C ARG A 8 0.211 9.763 -15.008 1.00 0.00 C ATOM 116 O ARG A 8 -0.029 9.673 -16.210 1.00 0.00 O ATOM 117 CB ARG A 8 0.207 7.470 -13.990 1.00 0.00 C ATOM 118 CG ARG A 8 0.835 6.245 -14.648 1.00 0.00 C ATOM 119 CD ARG A 8 0.423 6.189 -16.117 1.00 0.00 C ATOM 120 NE ARG A 8 1.584 5.962 -16.979 1.00 0.00 N ATOM 121 CZ ARG A 8 2.012 6.865 -17.871 1.00 0.00 C ATOM 122 NH1 ARG A 8 1.372 8.034 -18.002 1.00 0.00 N ATOM 123 NH2 ARG A 8 3.081 6.598 -18.634 1.00 0.00 N ATOM 0 H ARG A 8 1.022 9.974 -12.650 1.00 0.00 H new ATOM 0 HA ARG A 8 1.863 8.413 -14.969 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.144 7.325 -12.912 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -0.811 7.609 -14.353 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.921 6.291 -14.565 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.514 5.339 -14.134 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -0.305 5.391 -16.264 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.066 7.122 -16.397 1.00 0.00 H new ATOM 0 HE ARG A 8 2.088 5.079 -16.897 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.558 8.237 -17.422 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.699 8.721 -18.682 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.568 5.707 -18.535 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.407 7.285 -19.313 1.00 0.00 H new ATOM 137 N GLY A 9 -0.235 10.770 -14.253 1.00 0.00 N ATOM 138 CA GLY A 9 -1.042 11.837 -14.809 1.00 0.00 C ATOM 139 C GLY A 9 -0.265 13.146 -14.799 1.00 0.00 C ATOM 140 O GLY A 9 -0.692 14.131 -15.398 1.00 0.00 O ATOM 0 H GLY A 9 -0.046 10.861 -13.255 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.335 11.587 -15.829 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.960 11.947 -14.232 1.00 0.00 H new ATOM 144 N VAL A 10 0.881 13.154 -14.115 1.00 0.00 N ATOM 145 CA VAL A 10 1.713 14.337 -14.028 1.00 0.00 C ATOM 146 C VAL A 10 1.924 14.920 -15.418 1.00 0.00 C ATOM 147 O VAL A 10 2.432 16.030 -15.558 1.00 0.00 O ATOM 148 CB VAL A 10 3.048 13.974 -13.385 1.00 0.00 C ATOM 149 CG1 VAL A 10 3.819 13.034 -14.308 1.00 0.00 C ATOM 150 CG2 VAL A 10 3.864 15.243 -13.156 1.00 0.00 C ATOM 0 H VAL A 10 1.248 12.345 -13.614 1.00 0.00 H new ATOM 0 HA VAL A 10 1.221 15.088 -13.410 1.00 0.00 H new ATOM 0 HB VAL A 10 2.868 13.480 -12.430 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.773 12.775 -13.849 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.237 12.127 -14.472 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.999 13.528 -15.263 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.818 14.984 -12.697 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.043 15.738 -14.111 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.314 15.915 -12.497 1.00 0.00 H new ATOM 160 N MET A 11 1.532 14.168 -16.449 1.00 0.00 N ATOM 161 CA MET A 11 1.682 14.614 -17.820 1.00 0.00 C ATOM 162 C MET A 11 0.472 15.441 -18.231 1.00 0.00 C ATOM 163 O MET A 11 0.598 16.396 -18.994 1.00 0.00 O ATOM 164 CB MET A 11 1.843 13.402 -18.733 1.00 0.00 C ATOM 165 CG MET A 11 0.545 12.601 -18.749 1.00 0.00 C ATOM 166 SD MET A 11 -0.664 13.184 -19.964 1.00 0.00 S ATOM 167 CE MET A 11 0.168 12.649 -21.480 1.00 0.00 C ATOM 0 H MET A 11 1.108 13.246 -16.351 1.00 0.00 H new ATOM 0 HA MET A 11 2.570 15.240 -17.907 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.096 13.725 -19.743 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.664 12.777 -18.383 1.00 0.00 H new ATOM 0 HG2 MET A 11 0.777 11.556 -18.955 1.00 0.00 H new ATOM 0 HG3 MET A 11 0.095 12.638 -17.757 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.556 12.594 -22.293 1.00 0.00 H new ATOM 0 HE2 MET A 11 0.949 13.364 -21.738 1.00 0.00 H new ATOM 0 HE3 MET A 11 0.613 11.666 -21.323 1.00 0.00 H new ATOM 177 N GLY A 12 -0.705 15.070 -17.721 1.00 0.00 N ATOM 178 CA GLY A 12 -1.928 15.779 -18.038 1.00 0.00 C ATOM 179 C GLY A 12 -2.164 16.899 -17.035 1.00 0.00 C ATOM 180 O GLY A 12 -2.503 18.018 -17.416 1.00 0.00 O ATOM 0 H GLY A 12 -0.828 14.281 -17.087 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.867 16.191 -19.045 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.771 15.088 -18.026 1.00 0.00 H new ATOM 184 N ASN A 13 -1.983 16.595 -15.748 1.00 0.00 N ATOM 185 CA ASN A 13 -2.176 17.575 -14.698 1.00 0.00 C ATOM 186 C ASN A 13 -1.558 18.904 -15.109 1.00 0.00 C ATOM 187 O ASN A 13 -2.270 19.836 -15.477 1.00 0.00 O ATOM 188 CB ASN A 13 -1.546 17.064 -13.405 1.00 0.00 C ATOM 189 CG ASN A 13 -1.814 15.577 -13.222 1.00 0.00 C ATOM 190 OD1 ASN A 13 -2.943 15.122 -13.392 1.00 0.00 O ATOM 191 ND2 ASN A 13 -0.771 14.819 -12.876 1.00 0.00 N ATOM 0 H ASN A 13 -1.702 15.672 -15.416 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.242 17.730 -14.533 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.471 17.245 -13.423 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.948 17.617 -12.556 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.892 13.815 -12.741 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.147 15.244 -12.746 1.00 0.00 H new ATOM 198 N ARG A 14 -0.228 18.989 -15.045 1.00 0.00 N ATOM 199 CA ARG A 14 0.480 20.200 -15.409 1.00 0.00 C ATOM 200 C ARG A 14 0.025 21.349 -14.521 1.00 0.00 C ATOM 201 O ARG A 14 0.324 22.508 -14.801 1.00 0.00 O ATOM 202 CB ARG A 14 0.221 20.517 -16.879 1.00 0.00 C ATOM 203 CG ARG A 14 1.149 19.677 -17.752 1.00 0.00 C ATOM 204 CD ARG A 14 0.694 19.761 -19.206 1.00 0.00 C ATOM 205 NE ARG A 14 1.496 20.731 -19.953 1.00 0.00 N ATOM 206 CZ ARG A 14 2.770 20.504 -20.301 1.00 0.00 C ATOM 207 NH1 ARG A 14 3.360 19.348 -19.966 1.00 0.00 N ATOM 208 NH2 ARG A 14 3.454 21.432 -20.984 1.00 0.00 N ATOM 0 H ARG A 14 0.376 18.225 -14.742 1.00 0.00 H new ATOM 0 HA ARG A 14 1.551 20.058 -15.265 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.819 20.308 -17.129 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.387 21.577 -17.068 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.175 20.034 -17.660 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.141 18.640 -17.417 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.776 18.780 -19.673 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.357 20.046 -19.246 1.00 0.00 H new ATOM 0 HE ARG A 14 1.067 21.617 -20.220 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.839 18.641 -19.446 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.330 19.175 -20.231 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.005 22.312 -21.239 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.424 21.259 -21.249 1.00 0.00 H new ATOM 222 N ASP A 15 -0.699 21.025 -13.448 1.00 0.00 N ATOM 223 CA ASP A 15 -1.191 22.030 -12.526 1.00 0.00 C ATOM 224 C ASP A 15 -0.916 21.594 -11.095 1.00 0.00 C ATOM 225 O ASP A 15 -0.352 22.354 -10.310 1.00 0.00 O ATOM 226 CB ASP A 15 -2.686 22.236 -12.751 1.00 0.00 C ATOM 227 CG ASP A 15 -2.938 23.076 -13.995 1.00 0.00 C ATOM 228 OD1 ASP A 15 -2.759 24.308 -13.894 1.00 0.00 O ATOM 229 OD2 ASP A 15 -3.306 22.469 -15.025 1.00 0.00 O ATOM 0 H ASP A 15 -0.954 20.068 -13.202 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.677 22.975 -12.702 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.179 21.269 -12.854 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.124 22.726 -11.882 1.00 0.00 H new ATOM 234 N ILE A 16 -1.315 20.366 -10.755 1.00 0.00 N ATOM 235 CA ILE A 16 -1.109 19.834 -9.423 1.00 0.00 C ATOM 236 C ILE A 16 0.382 19.737 -9.132 1.00 0.00 C ATOM 237 O ILE A 16 0.804 19.892 -7.988 1.00 0.00 O ATOM 238 CB ILE A 16 -1.773 18.464 -9.314 1.00 0.00 C ATOM 239 CG1 ILE A 16 -3.102 18.481 -10.064 1.00 0.00 C ATOM 240 CG2 ILE A 16 -2.022 18.135 -7.845 1.00 0.00 C ATOM 241 CD1 ILE A 16 -3.743 17.098 -9.994 1.00 0.00 C ATOM 0 H ILE A 16 -1.785 19.725 -11.394 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.560 20.500 -8.687 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.120 17.708 -9.750 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.769 19.225 -9.628 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.942 18.767 -11.103 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.496 17.157 -7.767 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.073 18.122 -7.309 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.675 18.891 -7.409 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.692 17.109 -10.529 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.078 16.365 -10.450 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.917 16.830 -8.952 1.00 0.00 H new ATOM 253 N TYR A 17 1.180 19.480 -10.171 1.00 0.00 N ATOM 254 CA TYR A 17 2.616 19.363 -10.019 1.00 0.00 C ATOM 255 C TYR A 17 3.213 20.724 -9.692 1.00 0.00 C ATOM 256 O TYR A 17 3.698 20.942 -8.584 1.00 0.00 O ATOM 257 CB TYR A 17 3.217 18.803 -11.305 1.00 0.00 C ATOM 258 CG TYR A 17 4.648 18.344 -11.151 1.00 0.00 C ATOM 259 CD1 TYR A 17 5.693 19.272 -11.225 1.00 0.00 C ATOM 260 CD2 TYR A 17 4.928 16.989 -10.935 1.00 0.00 C ATOM 261 CE1 TYR A 17 7.019 18.846 -11.083 1.00 0.00 C ATOM 262 CE2 TYR A 17 6.254 16.563 -10.794 1.00 0.00 C ATOM 263 CZ TYR A 17 7.300 17.492 -10.867 1.00 0.00 C ATOM 264 OH TYR A 17 8.591 17.076 -10.730 1.00 0.00 O ATOM 0 H TYR A 17 0.846 19.350 -11.126 1.00 0.00 H new ATOM 0 HA TYR A 17 2.845 18.682 -9.199 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.609 17.965 -11.646 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.170 19.567 -12.081 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.476 20.317 -11.392 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.121 16.273 -10.877 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.825 19.562 -11.140 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.471 15.518 -10.629 1.00 0.00 H new ATOM 0 HH TYR A 17 8.609 16.107 -10.585 1.00 0.00 H new ATOM 274 N LYS A 18 3.177 21.641 -10.661 1.00 0.00 N ATOM 275 CA LYS A 18 3.713 22.974 -10.470 1.00 0.00 C ATOM 276 C LYS A 18 3.326 23.497 -9.094 1.00 0.00 C ATOM 277 O LYS A 18 4.150 24.080 -8.393 1.00 0.00 O ATOM 278 CB LYS A 18 3.185 23.895 -11.566 1.00 0.00 C ATOM 279 CG LYS A 18 3.837 23.528 -12.897 1.00 0.00 C ATOM 280 CD LYS A 18 2.754 23.264 -13.939 1.00 0.00 C ATOM 281 CE LYS A 18 3.334 23.460 -15.336 1.00 0.00 C ATOM 282 NZ LYS A 18 3.064 24.817 -15.835 1.00 0.00 N ATOM 0 H LYS A 18 2.779 21.476 -11.586 1.00 0.00 H new ATOM 0 HA LYS A 18 4.801 22.943 -10.531 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.102 23.803 -11.642 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.400 24.934 -11.318 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.488 24.336 -13.230 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.463 22.644 -12.776 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.371 22.249 -13.832 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.913 23.940 -13.785 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.410 23.284 -15.315 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.904 22.726 -16.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.469 24.924 -16.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.037 24.974 -15.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.495 25.514 -15.195 1.00 0.00 H new ATOM 296 N LYS A 19 2.066 23.286 -8.709 1.00 0.00 N ATOM 297 CA LYS A 19 1.576 23.735 -7.421 1.00 0.00 C ATOM 298 C LYS A 19 2.199 22.901 -6.310 1.00 0.00 C ATOM 299 O LYS A 19 2.825 23.441 -5.401 1.00 0.00 O ATOM 300 CB LYS A 19 0.054 23.627 -7.390 1.00 0.00 C ATOM 301 CG LYS A 19 -0.462 24.104 -6.035 1.00 0.00 C ATOM 302 CD LYS A 19 -1.580 23.181 -5.562 1.00 0.00 C ATOM 303 CE LYS A 19 -1.104 21.732 -5.623 1.00 0.00 C ATOM 304 NZ LYS A 19 -1.969 20.928 -6.500 1.00 0.00 N ATOM 0 H LYS A 19 1.370 22.804 -9.279 1.00 0.00 H new ATOM 0 HA LYS A 19 1.857 24.777 -7.265 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.380 24.228 -8.189 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.252 22.596 -7.565 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.350 24.112 -5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.830 25.127 -6.114 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.871 23.437 -4.543 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.463 23.312 -6.188 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.078 21.698 -5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.099 21.305 -4.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.455 20.079 -6.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.824 20.645 -5.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.240 21.491 -7.331 1.00 0.00 H new ATOM 318 N VAL A 20 2.024 21.580 -6.387 1.00 0.00 N ATOM 319 CA VAL A 20 2.566 20.678 -5.391 1.00 0.00 C ATOM 320 C VAL A 20 4.024 21.024 -5.123 1.00 0.00 C ATOM 321 O VAL A 20 4.362 21.497 -4.040 1.00 0.00 O ATOM 322 CB VAL A 20 2.434 19.239 -5.883 1.00 0.00 C ATOM 323 CG1 VAL A 20 3.432 18.354 -5.143 1.00 0.00 C ATOM 324 CG2 VAL A 20 1.016 18.740 -5.617 1.00 0.00 C ATOM 0 H VAL A 20 1.508 21.118 -7.135 1.00 0.00 H new ATOM 0 HA VAL A 20 2.010 20.782 -4.459 1.00 0.00 H new ATOM 0 HB VAL A 20 2.639 19.200 -6.953 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.338 17.327 -5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.445 18.711 -5.332 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.228 18.392 -4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.920 17.712 -5.968 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.811 18.779 -4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.303 19.372 -6.146 1.00 0.00 H new ATOM 334 N VAL A 21 4.888 20.787 -6.113 1.00 0.00 N ATOM 335 CA VAL A 21 6.302 21.074 -5.980 1.00 0.00 C ATOM 336 C VAL A 21 6.491 22.446 -5.349 1.00 0.00 C ATOM 337 O VAL A 21 7.390 22.638 -4.534 1.00 0.00 O ATOM 338 CB VAL A 21 6.964 21.015 -7.354 1.00 0.00 C ATOM 339 CG1 VAL A 21 6.300 22.027 -8.283 1.00 0.00 C ATOM 340 CG2 VAL A 21 8.447 21.345 -7.218 1.00 0.00 C ATOM 0 H VAL A 21 4.623 20.395 -7.016 1.00 0.00 H new ATOM 0 HA VAL A 21 6.769 20.331 -5.334 1.00 0.00 H new ATOM 0 HB VAL A 21 6.851 20.013 -7.769 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.773 21.985 -9.264 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.240 21.791 -8.380 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.412 23.029 -7.869 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.921 21.303 -8.199 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.560 22.346 -6.803 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.921 20.622 -6.555 1.00 0.00 H new ATOM 350 N ARG A 22 5.639 23.402 -5.728 1.00 0.00 N ATOM 351 CA ARG A 22 5.717 24.749 -5.200 1.00 0.00 C ATOM 352 C ARG A 22 5.279 24.757 -3.742 1.00 0.00 C ATOM 353 O ARG A 22 5.757 25.569 -2.953 1.00 0.00 O ATOM 354 CB ARG A 22 4.835 25.673 -6.034 1.00 0.00 C ATOM 355 CG ARG A 22 4.897 27.087 -5.464 1.00 0.00 C ATOM 356 CD ARG A 22 3.890 27.221 -4.325 1.00 0.00 C ATOM 357 NE ARG A 22 2.707 27.967 -4.755 1.00 0.00 N ATOM 358 CZ ARG A 22 1.896 28.600 -3.896 1.00 0.00 C ATOM 359 NH1 ARG A 22 2.154 28.566 -2.582 1.00 0.00 N ATOM 360 NH2 ARG A 22 0.826 29.266 -4.351 1.00 0.00 N ATOM 0 H ARG A 22 4.887 23.258 -6.402 1.00 0.00 H new ATOM 0 HA ARG A 22 6.746 25.106 -5.252 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.169 25.673 -7.072 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.806 25.313 -6.030 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.903 27.301 -5.102 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.678 27.815 -6.245 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.594 26.231 -3.979 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.357 27.728 -3.480 1.00 0.00 H new ATOM 0 HE ARG A 22 2.490 28.007 -5.751 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.968 28.058 -2.235 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.537 29.048 -1.928 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.628 29.291 -5.351 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.209 29.748 -3.697 1.00 0.00 H new ATOM 374 N VAL A 23 4.367 23.850 -3.387 1.00 0.00 N ATOM 375 CA VAL A 23 3.869 23.756 -2.029 1.00 0.00 C ATOM 376 C VAL A 23 4.971 23.245 -1.111 1.00 0.00 C ATOM 377 O VAL A 23 5.052 23.646 0.047 1.00 0.00 O ATOM 378 CB VAL A 23 2.660 22.826 -1.994 1.00 0.00 C ATOM 379 CG1 VAL A 23 3.082 21.464 -1.451 1.00 0.00 C ATOM 380 CG2 VAL A 23 1.585 23.424 -1.090 1.00 0.00 C ATOM 0 H VAL A 23 3.962 23.171 -4.031 1.00 0.00 H new ATOM 0 HA VAL A 23 3.561 24.742 -1.681 1.00 0.00 H new ATOM 0 HB VAL A 23 2.263 22.708 -3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.219 20.799 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.850 21.037 -2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.479 21.581 -0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.721 22.760 -1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.982 23.542 -0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.284 24.397 -1.478 1.00 0.00 H new ATOM 390 N CYS A 24 5.819 22.356 -1.633 1.00 0.00 N ATOM 391 CA CYS A 24 6.910 21.795 -0.861 1.00 0.00 C ATOM 392 C CYS A 24 7.941 22.876 -0.566 1.00 0.00 C ATOM 393 O CYS A 24 8.486 22.934 0.534 1.00 0.00 O ATOM 394 CB CYS A 24 7.541 20.642 -1.637 1.00 0.00 C ATOM 395 SG CYS A 24 6.347 19.619 -2.534 1.00 0.00 S ATOM 0 H CYS A 24 5.763 22.013 -2.592 1.00 0.00 H new ATOM 0 HA CYS A 24 6.532 21.413 0.087 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.263 21.047 -2.346 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.096 20.011 -0.943 1.00 0.00 H new ATOM 400 N GLU A 25 8.208 23.734 -1.554 1.00 0.00 N ATOM 401 CA GLU A 25 9.170 24.805 -1.393 1.00 0.00 C ATOM 402 C GLU A 25 8.785 25.675 -0.205 1.00 0.00 C ATOM 403 O GLU A 25 9.607 25.937 0.670 1.00 0.00 O ATOM 404 CB GLU A 25 9.226 25.633 -2.674 1.00 0.00 C ATOM 405 CG GLU A 25 9.709 24.756 -3.826 1.00 0.00 C ATOM 406 CD GLU A 25 11.214 24.540 -3.751 1.00 0.00 C ATOM 407 OE1 GLU A 25 11.616 23.582 -3.056 1.00 0.00 O ATOM 408 OE2 GLU A 25 11.934 25.338 -4.389 1.00 0.00 O ATOM 0 H GLU A 25 7.766 23.700 -2.472 1.00 0.00 H new ATOM 0 HA GLU A 25 10.157 24.385 -1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.240 26.039 -2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.898 26.481 -2.542 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.198 23.794 -3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.452 25.223 -4.777 1.00 0.00 H new ATOM 415 N ASP A 26 7.527 26.123 -0.177 1.00 0.00 N ATOM 416 CA ASP A 26 7.038 26.960 0.900 1.00 0.00 C ATOM 417 C ASP A 26 7.356 26.313 2.240 1.00 0.00 C ATOM 418 O ASP A 26 8.041 26.905 3.071 1.00 0.00 O ATOM 419 CB ASP A 26 5.534 27.165 0.741 1.00 0.00 C ATOM 420 CG ASP A 26 4.916 27.682 2.033 1.00 0.00 C ATOM 421 OD1 ASP A 26 5.090 28.891 2.301 1.00 0.00 O ATOM 422 OD2 ASP A 26 4.282 26.859 2.727 1.00 0.00 O ATOM 0 H ASP A 26 6.833 25.914 -0.895 1.00 0.00 H new ATOM 0 HA ASP A 26 7.529 27.932 0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.343 27.872 -0.066 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.062 26.224 0.459 1.00 0.00 H new ATOM 427 N CYS A 27 6.855 25.093 2.450 1.00 0.00 N ATOM 428 CA CYS A 27 7.087 24.372 3.686 1.00 0.00 C ATOM 429 C CYS A 27 8.584 24.222 3.921 1.00 0.00 C ATOM 430 O CYS A 27 9.072 24.484 5.018 1.00 0.00 O ATOM 431 CB CYS A 27 6.411 23.006 3.612 1.00 0.00 C ATOM 432 SG CYS A 27 7.434 21.720 2.851 1.00 0.00 S ATOM 0 H CYS A 27 6.284 24.589 1.771 1.00 0.00 H new ATOM 0 HA CYS A 27 6.662 24.927 4.522 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.139 22.691 4.620 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.484 23.101 3.047 1.00 0.00 H new ATOM 437 N THR A 28 9.312 23.798 2.885 1.00 0.00 N ATOM 438 CA THR A 28 10.746 23.617 2.988 1.00 0.00 C ATOM 439 C THR A 28 11.376 24.830 3.657 1.00 0.00 C ATOM 440 O THR A 28 12.405 24.715 4.319 1.00 0.00 O ATOM 441 CB THR A 28 11.332 23.404 1.594 1.00 0.00 C ATOM 442 OG1 THR A 28 10.896 22.163 1.087 1.00 0.00 O ATOM 443 CG2 THR A 28 12.856 23.414 1.676 1.00 0.00 C ATOM 0 H THR A 28 8.924 23.576 1.968 1.00 0.00 H new ATOM 0 HA THR A 28 10.961 22.740 3.598 1.00 0.00 H new ATOM 0 HB THR A 28 10.999 24.204 0.933 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.917 22.152 1.047 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.275 23.262 0.681 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.193 24.373 2.069 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.190 22.614 2.337 1.00 0.00 H new ATOM 451 N ASN A 29 10.753 25.998 3.483 1.00 0.00 N ATOM 452 CA ASN A 29 11.252 27.225 4.070 1.00 0.00 C ATOM 453 C ASN A 29 10.916 27.265 5.554 1.00 0.00 C ATOM 454 O ASN A 29 11.769 27.583 6.379 1.00 0.00 O ATOM 455 CB ASN A 29 10.640 28.420 3.345 1.00 0.00 C ATOM 456 CG ASN A 29 10.900 28.338 1.847 1.00 0.00 C ATOM 457 OD1 ASN A 29 12.048 28.255 1.418 1.00 0.00 O ATOM 458 ND2 ASN A 29 9.828 28.360 1.052 1.00 0.00 N ATOM 0 H ASN A 29 9.899 26.111 2.936 1.00 0.00 H new ATOM 0 HA ASN A 29 12.336 27.267 3.964 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.566 28.452 3.531 1.00 0.00 H new ATOM 0 HB3 ASN A 29 11.060 29.345 3.741 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.943 28.307 0.040 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.894 28.430 1.457 1.00 0.00 H new ATOM 465 N ILE A 30 9.666 26.940 5.891 1.00 0.00 N ATOM 466 CA ILE A 30 9.220 26.937 7.270 1.00 0.00 C ATOM 467 C ILE A 30 10.268 26.269 8.148 1.00 0.00 C ATOM 468 O ILE A 30 10.727 26.856 9.126 1.00 0.00 O ATOM 469 CB ILE A 30 7.884 26.206 7.370 1.00 0.00 C ATOM 470 CG1 ILE A 30 6.743 27.209 7.225 1.00 0.00 C ATOM 471 CG2 ILE A 30 7.784 25.513 8.726 1.00 0.00 C ATOM 472 CD1 ILE A 30 6.818 27.871 5.852 1.00 0.00 C ATOM 0 H ILE A 30 8.947 26.675 5.217 1.00 0.00 H new ATOM 0 HA ILE A 30 9.085 27.962 7.616 1.00 0.00 H new ATOM 0 HB ILE A 30 7.816 25.462 6.576 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.784 26.705 7.345 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.807 27.964 8.008 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.830 24.991 8.798 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.599 24.796 8.829 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.852 26.256 9.520 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.003 28.587 5.748 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.772 28.389 5.749 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.733 27.110 5.076 1.00 0.00 H new ATOM 484 N PHE A 31 10.648 25.038 7.798 1.00 0.00 N ATOM 485 CA PHE A 31 11.638 24.300 8.556 1.00 0.00 C ATOM 486 C PHE A 31 13.027 24.575 7.996 1.00 0.00 C ATOM 487 O PHE A 31 14.024 24.419 8.698 1.00 0.00 O ATOM 488 CB PHE A 31 11.316 22.810 8.497 1.00 0.00 C ATOM 489 CG PHE A 31 10.241 22.387 9.470 1.00 0.00 C ATOM 490 CD1 PHE A 31 10.358 22.709 10.827 1.00 0.00 C ATOM 491 CD2 PHE A 31 9.125 21.674 9.014 1.00 0.00 C ATOM 492 CE1 PHE A 31 9.360 22.319 11.728 1.00 0.00 C ATOM 493 CE2 PHE A 31 8.128 21.284 9.915 1.00 0.00 C ATOM 494 CZ PHE A 31 8.245 21.606 11.272 1.00 0.00 C ATOM 0 H PHE A 31 10.278 24.537 6.990 1.00 0.00 H new ATOM 0 HA PHE A 31 11.618 24.621 9.597 1.00 0.00 H new ATOM 0 HB2 PHE A 31 11.000 22.554 7.485 1.00 0.00 H new ATOM 0 HB3 PHE A 31 12.224 22.242 8.701 1.00 0.00 H new ATOM 0 HD1 PHE A 31 11.218 23.259 11.179 1.00 0.00 H new ATOM 0 HD2 PHE A 31 9.034 21.425 7.967 1.00 0.00 H new ATOM 0 HE1 PHE A 31 9.450 22.568 12.775 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.268 20.734 9.563 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.475 21.304 11.967 1.00 0.00 H new ATOM 504 N ARG A 32 13.089 24.985 6.727 1.00 0.00 N ATOM 505 CA ARG A 32 14.352 25.278 6.080 1.00 0.00 C ATOM 506 C ARG A 32 15.184 24.008 5.975 1.00 0.00 C ATOM 507 O ARG A 32 16.411 24.068 5.950 1.00 0.00 O ATOM 508 CB ARG A 32 15.095 26.347 6.876 1.00 0.00 C ATOM 509 CG ARG A 32 14.863 27.712 6.234 1.00 0.00 C ATOM 510 CD ARG A 32 16.207 28.377 5.953 1.00 0.00 C ATOM 511 NE ARG A 32 16.368 28.653 4.525 1.00 0.00 N ATOM 512 CZ ARG A 32 16.469 29.896 4.033 1.00 0.00 C ATOM 513 NH1 ARG A 32 16.425 30.949 4.860 1.00 0.00 N ATOM 514 NH2 ARG A 32 16.613 30.085 2.714 1.00 0.00 N ATOM 0 H ARG A 32 12.271 25.119 6.132 1.00 0.00 H new ATOM 0 HA ARG A 32 14.171 25.654 5.073 1.00 0.00 H new ATOM 0 HB2 ARG A 32 14.746 26.355 7.909 1.00 0.00 H new ATOM 0 HB3 ARG A 32 16.161 26.122 6.901 1.00 0.00 H new ATOM 0 HG2 ARG A 32 14.300 27.599 5.307 1.00 0.00 H new ATOM 0 HG3 ARG A 32 14.266 28.340 6.895 1.00 0.00 H new ATOM 0 HD2 ARG A 32 16.282 29.307 6.517 1.00 0.00 H new ATOM 0 HD3 ARG A 32 17.015 27.731 6.295 1.00 0.00 H new ATOM 0 HE ARG A 32 16.405 27.866 3.877 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.315 30.805 5.864 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.502 31.895 4.486 1.00 0.00 H new ATOM 0 HH21 ARG A 32 16.646 29.283 2.084 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.690 31.031 2.340 1.00 0.00 H new ATOM 528 N LEU A 33 14.513 22.856 5.913 1.00 0.00 N ATOM 529 CA LEU A 33 15.191 21.579 5.811 1.00 0.00 C ATOM 530 C LEU A 33 15.248 21.140 4.355 1.00 0.00 C ATOM 531 O LEU A 33 14.246 21.200 3.646 1.00 0.00 O ATOM 532 CB LEU A 33 14.457 20.545 6.659 1.00 0.00 C ATOM 533 CG LEU A 33 14.500 20.967 8.125 1.00 0.00 C ATOM 534 CD1 LEU A 33 13.412 20.228 8.899 1.00 0.00 C ATOM 535 CD2 LEU A 33 15.865 20.625 8.714 1.00 0.00 C ATOM 0 H LEU A 33 13.495 22.790 5.932 1.00 0.00 H new ATOM 0 HA LEU A 33 16.212 21.674 6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.423 20.453 6.326 1.00 0.00 H new ATOM 0 HB3 LEU A 33 14.919 19.565 6.538 1.00 0.00 H new ATOM 0 HG LEU A 33 14.332 22.042 8.198 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.442 20.529 9.946 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.436 20.473 8.479 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.579 19.153 8.825 1.00 0.00 H new ATOM 0 HD21 LEU A 33 15.895 20.927 9.761 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.034 19.551 8.641 1.00 0.00 H new ATOM 0 HD23 LEU A 33 16.642 21.153 8.162 1.00 0.00 H new ATOM 547 N PRO A 34 16.426 20.696 3.910 1.00 0.00 N ATOM 548 CA PRO A 34 16.667 20.235 2.559 1.00 0.00 C ATOM 549 C PRO A 34 16.000 18.883 2.354 1.00 0.00 C ATOM 550 O PRO A 34 15.554 18.569 1.253 1.00 0.00 O ATOM 551 CB PRO A 34 18.186 20.119 2.451 1.00 0.00 C ATOM 552 CG PRO A 34 18.603 19.786 3.883 1.00 0.00 C ATOM 553 CD PRO A 34 17.624 20.611 4.717 1.00 0.00 C ATOM 0 HA PRO A 34 16.262 20.907 1.802 1.00 0.00 H new ATOM 0 HB2 PRO A 34 18.483 19.338 1.751 1.00 0.00 H new ATOM 0 HB3 PRO A 34 18.639 21.048 2.103 1.00 0.00 H new ATOM 0 HG2 PRO A 34 18.516 18.720 4.093 1.00 0.00 H new ATOM 0 HG3 PRO A 34 19.638 20.066 4.079 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.421 20.133 5.675 1.00 0.00 H new ATOM 0 HD3 PRO A 34 18.026 21.601 4.933 1.00 0.00 H new ATOM 561 N GLY A 35 15.934 18.080 3.419 1.00 0.00 N ATOM 562 CA GLY A 35 15.324 16.768 3.346 1.00 0.00 C ATOM 563 C GLY A 35 13.843 16.855 3.688 1.00 0.00 C ATOM 564 O GLY A 35 13.386 16.239 4.648 1.00 0.00 O ATOM 0 H GLY A 35 16.299 18.324 4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.450 16.356 2.345 1.00 0.00 H new ATOM 0 HA3 GLY A 35 15.824 16.088 4.035 1.00 0.00 H new ATOM 568 N LEU A 36 13.092 17.626 2.896 1.00 0.00 N ATOM 569 CA LEU A 36 11.669 17.791 3.116 1.00 0.00 C ATOM 570 C LEU A 36 10.963 18.006 1.786 1.00 0.00 C ATOM 571 O LEU A 36 10.036 17.273 1.446 1.00 0.00 O ATOM 572 CB LEU A 36 11.434 18.975 4.050 1.00 0.00 C ATOM 573 CG LEU A 36 10.088 18.811 4.750 1.00 0.00 C ATOM 574 CD1 LEU A 36 10.146 17.610 5.690 1.00 0.00 C ATOM 575 CD2 LEU A 36 9.775 20.071 5.552 1.00 0.00 C ATOM 0 H LEU A 36 13.456 18.144 2.096 1.00 0.00 H new ATOM 0 HA LEU A 36 11.262 16.892 3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.235 19.035 4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.451 19.907 3.485 1.00 0.00 H new ATOM 0 HG LEU A 36 9.308 18.651 4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.185 17.493 6.190 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.369 16.710 5.117 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.926 17.768 6.435 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.814 19.954 6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.555 20.231 6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.733 20.929 4.881 1.00 0.00 H new ATOM 587 N ASP A 37 11.403 19.015 1.031 1.00 0.00 N ATOM 588 CA ASP A 37 10.812 19.321 -0.256 1.00 0.00 C ATOM 589 C ASP A 37 10.569 18.034 -1.031 1.00 0.00 C ATOM 590 O ASP A 37 9.481 17.821 -1.561 1.00 0.00 O ATOM 591 CB ASP A 37 11.738 20.253 -1.032 1.00 0.00 C ATOM 592 CG ASP A 37 12.844 19.468 -1.723 1.00 0.00 C ATOM 593 OD1 ASP A 37 13.561 18.741 -1.001 1.00 0.00 O ATOM 594 OD2 ASP A 37 12.953 19.610 -2.960 1.00 0.00 O ATOM 0 H ASP A 37 12.170 19.632 1.298 1.00 0.00 H new ATOM 0 HA ASP A 37 9.854 19.821 -0.111 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.163 20.809 -1.773 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.176 20.985 -0.353 1.00 0.00 H new ATOM 599 N GLY A 38 11.588 17.173 -1.096 1.00 0.00 N ATOM 600 CA GLY A 38 11.476 15.914 -1.806 1.00 0.00 C ATOM 601 C GLY A 38 10.261 15.139 -1.317 1.00 0.00 C ATOM 602 O GLY A 38 9.314 14.921 -2.069 1.00 0.00 O ATOM 0 H GLY A 38 12.497 17.333 -0.662 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.391 16.099 -2.877 1.00 0.00 H new ATOM 0 HA3 GLY A 38 12.379 15.322 -1.655 1.00 0.00 H new ATOM 606 N MET A 39 10.290 14.722 -0.049 1.00 0.00 N ATOM 607 CA MET A 39 9.195 13.973 0.533 1.00 0.00 C ATOM 608 C MET A 39 7.866 14.562 0.082 1.00 0.00 C ATOM 609 O MET A 39 7.023 13.855 -0.464 1.00 0.00 O ATOM 610 CB MET A 39 9.310 14.004 2.055 1.00 0.00 C ATOM 611 CG MET A 39 10.382 13.015 2.504 1.00 0.00 C ATOM 612 SD MET A 39 11.500 13.667 3.769 1.00 0.00 S ATOM 613 CE MET A 39 10.275 14.329 4.925 1.00 0.00 C ATOM 0 H MET A 39 11.067 14.896 0.589 1.00 0.00 H new ATOM 0 HA MET A 39 9.242 12.937 0.198 1.00 0.00 H new ATOM 0 HB2 MET A 39 9.564 15.009 2.391 1.00 0.00 H new ATOM 0 HB3 MET A 39 8.352 13.749 2.508 1.00 0.00 H new ATOM 0 HG2 MET A 39 9.896 12.119 2.890 1.00 0.00 H new ATOM 0 HG3 MET A 39 10.968 12.712 1.637 1.00 0.00 H new ATOM 0 HE1 MET A 39 10.545 15.350 5.196 1.00 0.00 H new ATOM 0 HE2 MET A 39 9.292 14.326 4.454 1.00 0.00 H new ATOM 0 HE3 MET A 39 10.250 13.710 5.822 1.00 0.00 H new ATOM 623 N CYS A 40 7.683 15.864 0.312 1.00 0.00 N ATOM 624 CA CYS A 40 6.461 16.544 -0.070 1.00 0.00 C ATOM 625 C CYS A 40 6.040 16.101 -1.464 1.00 0.00 C ATOM 626 O CYS A 40 4.932 15.604 -1.651 1.00 0.00 O ATOM 627 CB CYS A 40 6.685 18.053 -0.026 1.00 0.00 C ATOM 628 SG CYS A 40 5.289 19.022 -0.650 1.00 0.00 S ATOM 0 H CYS A 40 8.374 16.464 0.763 1.00 0.00 H new ATOM 0 HA CYS A 40 5.663 16.288 0.627 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.889 18.350 1.003 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.573 18.296 -0.610 1.00 0.00 H new ATOM 633 N ARG A 41 6.929 16.283 -2.443 1.00 0.00 N ATOM 634 CA ARG A 41 6.646 15.903 -3.813 1.00 0.00 C ATOM 635 C ARG A 41 7.545 14.746 -4.224 1.00 0.00 C ATOM 636 O ARG A 41 8.155 14.779 -5.290 1.00 0.00 O ATOM 637 CB ARG A 41 6.861 17.106 -4.728 1.00 0.00 C ATOM 638 CG ARG A 41 8.200 17.760 -4.401 1.00 0.00 C ATOM 639 CD ARG A 41 9.142 17.614 -5.593 1.00 0.00 C ATOM 640 NE ARG A 41 8.612 18.306 -6.769 1.00 0.00 N ATOM 641 CZ ARG A 41 9.233 18.299 -7.956 1.00 0.00 C ATOM 642 NH1 ARG A 41 10.390 17.639 -8.103 1.00 0.00 N ATOM 643 NH2 ARG A 41 8.698 18.953 -8.996 1.00 0.00 N ATOM 0 H ARG A 41 7.852 16.694 -2.303 1.00 0.00 H new ATOM 0 HA ARG A 41 5.609 15.579 -3.898 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.843 16.791 -5.771 1.00 0.00 H new ATOM 0 HB3 ARG A 41 6.052 17.825 -4.598 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.054 18.814 -4.166 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.638 17.294 -3.518 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.121 18.020 -5.339 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.284 16.558 -5.822 1.00 0.00 H new ATOM 0 HE ARG A 41 7.733 18.815 -6.681 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.798 17.142 -7.311 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.863 17.634 -9.007 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.818 19.456 -8.884 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.171 18.948 -9.900 1.00 0.00 H new ATOM 657 N ASN A 42 7.625 13.720 -3.373 1.00 0.00 N ATOM 658 CA ASN A 42 8.447 12.560 -3.653 1.00 0.00 C ATOM 659 C ASN A 42 7.632 11.515 -4.402 1.00 0.00 C ATOM 660 O ASN A 42 7.493 11.587 -5.621 1.00 0.00 O ATOM 661 CB ASN A 42 8.983 11.990 -2.343 1.00 0.00 C ATOM 662 CG ASN A 42 9.747 10.697 -2.585 1.00 0.00 C ATOM 663 OD1 ASN A 42 10.184 10.432 -3.703 1.00 0.00 O ATOM 664 ND2 ASN A 42 9.910 9.891 -1.533 1.00 0.00 N ATOM 0 H ASN A 42 7.126 13.678 -2.485 1.00 0.00 H new ATOM 0 HA ASN A 42 9.289 12.851 -4.281 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.637 12.719 -1.865 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.156 11.806 -1.657 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.416 9.012 -1.638 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.529 10.155 -0.625 1.00 0.00 H new ATOM 671 N ARG A 43 7.091 10.541 -3.666 1.00 0.00 N ATOM 672 CA ARG A 43 6.294 9.487 -4.260 1.00 0.00 C ATOM 673 C ARG A 43 5.065 10.084 -4.930 1.00 0.00 C ATOM 674 O ARG A 43 3.956 9.973 -4.412 1.00 0.00 O ATOM 675 CB ARG A 43 5.888 8.488 -3.180 1.00 0.00 C ATOM 676 CG ARG A 43 5.806 9.200 -1.833 1.00 0.00 C ATOM 677 CD ARG A 43 7.138 9.063 -1.103 1.00 0.00 C ATOM 678 NE ARG A 43 6.985 9.340 0.326 1.00 0.00 N ATOM 679 CZ ARG A 43 7.866 8.922 1.245 1.00 0.00 C ATOM 680 NH1 ARG A 43 8.943 8.219 0.869 1.00 0.00 N ATOM 681 NH2 ARG A 43 7.670 9.206 2.539 1.00 0.00 N ATOM 0 H ARG A 43 7.196 10.468 -2.654 1.00 0.00 H new ATOM 0 HA ARG A 43 6.880 8.967 -5.018 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.925 8.041 -3.426 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.613 7.675 -3.130 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.567 10.253 -1.980 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.004 8.772 -1.232 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.531 8.056 -1.242 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.865 9.751 -1.534 1.00 0.00 H new ATOM 0 HE ARG A 43 6.173 9.874 0.636 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.092 8.002 -0.117 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.614 7.901 1.568 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.850 9.741 2.825 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.341 8.888 3.238 1.00 0.00 H new ATOM 695 N CYS A 44 5.264 10.720 -6.087 1.00 0.00 N ATOM 696 CA CYS A 44 4.175 11.331 -6.822 1.00 0.00 C ATOM 697 C CYS A 44 3.315 12.156 -5.876 1.00 0.00 C ATOM 698 O CYS A 44 2.132 12.369 -6.134 1.00 0.00 O ATOM 699 CB CYS A 44 3.346 10.243 -7.499 1.00 0.00 C ATOM 700 SG CYS A 44 2.124 10.875 -8.675 1.00 0.00 S ATOM 0 H CYS A 44 6.177 10.821 -6.530 1.00 0.00 H new ATOM 0 HA CYS A 44 4.574 11.994 -7.589 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.017 9.560 -8.020 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.832 9.662 -6.733 1.00 0.00 H new ATOM 705 N PHE A 45 3.912 12.621 -4.776 1.00 0.00 N ATOM 706 CA PHE A 45 3.197 13.419 -3.800 1.00 0.00 C ATOM 707 C PHE A 45 2.174 12.555 -3.077 1.00 0.00 C ATOM 708 O PHE A 45 1.161 13.059 -2.596 1.00 0.00 O ATOM 709 CB PHE A 45 2.517 14.591 -4.502 1.00 0.00 C ATOM 710 CG PHE A 45 3.305 15.133 -5.670 1.00 0.00 C ATOM 711 CD1 PHE A 45 4.675 14.862 -5.778 1.00 0.00 C ATOM 712 CD2 PHE A 45 2.666 15.905 -6.648 1.00 0.00 C ATOM 713 CE1 PHE A 45 5.405 15.363 -6.862 1.00 0.00 C ATOM 714 CE2 PHE A 45 3.396 16.406 -7.732 1.00 0.00 C ATOM 715 CZ PHE A 45 4.765 16.135 -7.839 1.00 0.00 C ATOM 0 H PHE A 45 4.892 12.453 -4.546 1.00 0.00 H new ATOM 0 HA PHE A 45 3.897 13.812 -3.062 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.535 14.274 -4.852 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.355 15.392 -3.781 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.168 14.266 -5.024 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.610 16.114 -6.566 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.461 15.154 -6.945 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.903 17.002 -8.486 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.328 16.522 -8.676 1.00 0.00 H new ATOM 725 N TYR A 46 2.441 11.249 -3.000 1.00 0.00 N ATOM 726 CA TYR A 46 1.543 10.324 -2.339 1.00 0.00 C ATOM 727 C TYR A 46 2.215 9.749 -1.100 1.00 0.00 C ATOM 728 O TYR A 46 2.808 8.674 -1.155 1.00 0.00 O ATOM 729 CB TYR A 46 1.154 9.213 -3.309 1.00 0.00 C ATOM 730 CG TYR A 46 0.030 8.339 -2.807 1.00 0.00 C ATOM 731 CD1 TYR A 46 -1.298 8.766 -2.933 1.00 0.00 C ATOM 732 CD2 TYR A 46 0.314 7.103 -2.215 1.00 0.00 C ATOM 733 CE1 TYR A 46 -2.341 7.956 -2.467 1.00 0.00 C ATOM 734 CE2 TYR A 46 -0.728 6.294 -1.748 1.00 0.00 C ATOM 735 CZ TYR A 46 -2.056 6.720 -1.874 1.00 0.00 C ATOM 736 OH TYR A 46 -3.072 5.932 -1.420 1.00 0.00 O ATOM 0 H TYR A 46 3.277 10.816 -3.392 1.00 0.00 H new ATOM 0 HA TYR A 46 0.640 10.848 -2.027 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.860 9.658 -4.260 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.027 8.591 -3.505 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.518 9.720 -3.389 1.00 0.00 H new ATOM 0 HD2 TYR A 46 1.338 6.773 -2.119 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.365 8.285 -2.565 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.508 5.341 -1.290 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.702 5.109 -1.038 1.00 0.00 H new ATOM 746 N ASN A 47 2.120 10.469 0.020 1.00 0.00 N ATOM 747 CA ASN A 47 2.717 10.026 1.264 1.00 0.00 C ATOM 748 C ASN A 47 2.332 10.975 2.391 1.00 0.00 C ATOM 749 O ASN A 47 3.061 11.109 3.371 1.00 0.00 O ATOM 750 CB ASN A 47 4.233 9.964 1.104 1.00 0.00 C ATOM 751 CG ASN A 47 4.791 8.683 1.709 1.00 0.00 C ATOM 752 OD1 ASN A 47 5.186 7.774 0.983 1.00 0.00 O ATOM 753 ND2 ASN A 47 4.824 8.615 3.041 1.00 0.00 N ATOM 0 H ASN A 47 1.632 11.363 0.082 1.00 0.00 H new ATOM 0 HA ASN A 47 2.349 9.031 1.514 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.494 10.015 0.047 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.689 10.828 1.587 1.00 0.00 H new ATOM 0 HD21 ASN A 47 5.189 7.781 3.500 1.00 0.00 H new ATOM 0 HD22 ASN A 47 4.484 9.397 3.600 1.00 0.00 H new ATOM 760 N GLU A 48 1.180 11.634 2.248 1.00 0.00 N ATOM 761 CA GLU A 48 0.705 12.564 3.253 1.00 0.00 C ATOM 762 C GLU A 48 1.705 13.698 3.426 1.00 0.00 C ATOM 763 O GLU A 48 1.388 14.727 4.019 1.00 0.00 O ATOM 764 CB GLU A 48 0.494 11.823 4.570 1.00 0.00 C ATOM 765 CG GLU A 48 1.705 12.037 5.474 1.00 0.00 C ATOM 766 CD GLU A 48 1.361 12.964 6.631 1.00 0.00 C ATOM 767 OE1 GLU A 48 0.369 13.711 6.485 1.00 0.00 O ATOM 768 OE2 GLU A 48 2.098 12.909 7.640 1.00 0.00 O ATOM 0 H GLU A 48 0.564 11.535 1.441 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.245 12.993 2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.409 12.184 5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.351 10.759 4.382 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.049 11.078 5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.526 12.460 4.895 1.00 0.00 H new ATOM 775 N TRP A 49 2.919 13.508 2.904 1.00 0.00 N ATOM 776 CA TRP A 49 3.956 14.515 3.002 1.00 0.00 C ATOM 777 C TRP A 49 3.414 15.863 2.545 1.00 0.00 C ATOM 778 O TRP A 49 4.097 16.879 2.652 1.00 0.00 O ATOM 779 CB TRP A 49 5.152 14.097 2.151 1.00 0.00 C ATOM 780 CG TRP A 49 6.123 13.189 2.834 1.00 0.00 C ATOM 781 CD1 TRP A 49 6.701 12.102 2.277 1.00 0.00 C ATOM 782 CD2 TRP A 49 6.646 13.263 4.196 1.00 0.00 C ATOM 783 NE1 TRP A 49 7.539 11.503 3.194 1.00 0.00 N ATOM 784 CE2 TRP A 49 7.542 12.180 4.397 1.00 0.00 C ATOM 785 CE3 TRP A 49 6.453 14.136 5.282 1.00 0.00 C ATOM 786 CZ2 TRP A 49 8.211 11.971 5.606 1.00 0.00 C ATOM 787 CZ3 TRP A 49 7.119 13.936 6.500 1.00 0.00 C ATOM 788 CH2 TRP A 49 7.996 12.858 6.665 1.00 0.00 C ATOM 0 H TRP A 49 3.200 12.661 2.410 1.00 0.00 H new ATOM 0 HA TRP A 49 4.279 14.609 4.039 1.00 0.00 H new ATOM 0 HB2 TRP A 49 4.785 13.602 1.252 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.681 14.994 1.828 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.533 11.755 1.268 1.00 0.00 H new ATOM 0 HE1 TRP A 49 8.088 10.664 3.007 1.00 0.00 H new ATOM 0 HE3 TRP A 49 5.781 14.974 5.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 8.885 11.135 5.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 6.953 14.621 7.319 1.00 0.00 H new ATOM 0 HH2 TRP A 49 8.505 12.712 7.606 1.00 0.00 H new ATOM 799 N PHE A 50 2.181 15.868 2.034 1.00 0.00 N ATOM 800 CA PHE A 50 1.555 17.087 1.565 1.00 0.00 C ATOM 801 C PHE A 50 0.986 17.863 2.745 1.00 0.00 C ATOM 802 O PHE A 50 1.124 19.082 2.815 1.00 0.00 O ATOM 803 CB PHE A 50 0.456 16.741 0.564 1.00 0.00 C ATOM 804 CG PHE A 50 0.396 17.682 -0.615 1.00 0.00 C ATOM 805 CD1 PHE A 50 1.517 17.847 -1.437 1.00 0.00 C ATOM 806 CD2 PHE A 50 -0.780 18.392 -0.884 1.00 0.00 C ATOM 807 CE1 PHE A 50 1.462 18.722 -2.529 1.00 0.00 C ATOM 808 CE2 PHE A 50 -0.835 19.267 -1.976 1.00 0.00 C ATOM 809 CZ PHE A 50 0.286 19.432 -2.798 1.00 0.00 C ATOM 0 H PHE A 50 1.602 15.034 1.938 1.00 0.00 H new ATOM 0 HA PHE A 50 2.296 17.713 1.069 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.614 15.726 0.200 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.506 16.751 1.076 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.424 17.299 -1.229 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.645 18.265 -0.250 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.327 18.849 -3.163 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.742 19.815 -2.184 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.244 20.107 -3.640 1.00 0.00 H new ATOM 819 N LEU A 51 0.343 17.151 3.674 1.00 0.00 N ATOM 820 CA LEU A 51 -0.242 17.773 4.845 1.00 0.00 C ATOM 821 C LEU A 51 0.852 18.393 5.702 1.00 0.00 C ATOM 822 O LEU A 51 0.650 19.444 6.306 1.00 0.00 O ATOM 823 CB LEU A 51 -1.024 16.729 5.637 1.00 0.00 C ATOM 824 CG LEU A 51 -1.877 17.427 6.693 1.00 0.00 C ATOM 825 CD1 LEU A 51 -3.347 17.358 6.287 1.00 0.00 C ATOM 826 CD2 LEU A 51 -1.688 16.733 8.039 1.00 0.00 C ATOM 0 H LEU A 51 0.219 16.140 3.629 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.926 18.564 4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.658 16.148 4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.338 16.029 6.113 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.572 18.470 6.776 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.956 17.856 7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.483 17.853 5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.653 16.315 6.204 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.297 17.231 8.794 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.993 15.690 7.957 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.639 16.782 8.329 1.00 0.00 H new ATOM 838 N ILE A 52 2.013 17.737 5.755 1.00 0.00 N ATOM 839 CA ILE A 52 3.134 18.224 6.535 1.00 0.00 C ATOM 840 C ILE A 52 3.518 19.621 6.067 1.00 0.00 C ATOM 841 O ILE A 52 3.649 20.535 6.878 1.00 0.00 O ATOM 842 CB ILE A 52 4.310 17.262 6.391 1.00 0.00 C ATOM 843 CG1 ILE A 52 3.898 15.878 6.884 1.00 0.00 C ATOM 844 CG2 ILE A 52 5.486 17.770 7.220 1.00 0.00 C ATOM 845 CD1 ILE A 52 3.096 15.168 5.798 1.00 0.00 C ATOM 0 H ILE A 52 2.194 16.863 5.261 1.00 0.00 H new ATOM 0 HA ILE A 52 2.855 18.278 7.587 1.00 0.00 H new ATOM 0 HB ILE A 52 4.604 17.201 5.343 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.782 15.293 7.139 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.302 15.967 7.792 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.327 17.084 7.118 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.780 18.759 6.867 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.193 17.831 8.268 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.802 14.179 6.150 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.204 15.750 5.565 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.708 15.066 4.902 1.00 0.00 H new ATOM 857 N CYS A 53 3.699 19.785 4.754 1.00 0.00 N ATOM 858 CA CYS A 53 4.066 21.066 4.186 1.00 0.00 C ATOM 859 C CYS A 53 2.866 22.002 4.207 1.00 0.00 C ATOM 860 O CYS A 53 2.997 23.176 4.544 1.00 0.00 O ATOM 861 CB CYS A 53 4.570 20.864 2.760 1.00 0.00 C ATOM 862 SG CYS A 53 6.231 20.151 2.661 1.00 0.00 S ATOM 0 H CYS A 53 3.595 19.037 4.069 1.00 0.00 H new ATOM 0 HA CYS A 53 4.863 21.516 4.778 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.875 20.215 2.228 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.567 21.825 2.245 1.00 0.00 H new ATOM 867 N LEU A 54 1.692 21.478 3.846 1.00 0.00 N ATOM 868 CA LEU A 54 0.476 22.266 3.825 1.00 0.00 C ATOM 869 C LEU A 54 0.198 22.824 5.213 1.00 0.00 C ATOM 870 O LEU A 54 -0.464 23.850 5.352 1.00 0.00 O ATOM 871 CB LEU A 54 -0.685 21.397 3.349 1.00 0.00 C ATOM 872 CG LEU A 54 -0.838 21.535 1.837 1.00 0.00 C ATOM 873 CD1 LEU A 54 -1.177 20.176 1.233 1.00 0.00 C ATOM 874 CD2 LEU A 54 -1.958 22.524 1.528 1.00 0.00 C ATOM 0 H LEU A 54 1.567 20.506 3.564 1.00 0.00 H new ATOM 0 HA LEU A 54 0.593 23.102 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.505 20.355 3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.607 21.698 3.847 1.00 0.00 H new ATOM 0 HG LEU A 54 0.096 21.899 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.286 20.275 0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.376 19.470 1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.111 19.811 1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.068 22.623 0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.892 22.161 1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.715 23.495 1.959 1.00 0.00 H new ATOM 886 N LYS A 55 0.707 22.144 6.243 1.00 0.00 N ATOM 887 CA LYS A 55 0.511 22.575 7.613 1.00 0.00 C ATOM 888 C LYS A 55 1.395 23.778 7.909 1.00 0.00 C ATOM 889 O LYS A 55 0.943 24.754 8.503 1.00 0.00 O ATOM 890 CB LYS A 55 0.834 21.422 8.559 1.00 0.00 C ATOM 891 CG LYS A 55 -0.463 20.852 9.126 1.00 0.00 C ATOM 892 CD LYS A 55 -0.427 19.328 9.048 1.00 0.00 C ATOM 893 CE LYS A 55 -0.317 18.749 10.455 1.00 0.00 C ATOM 894 NZ LYS A 55 0.612 19.537 11.280 1.00 0.00 N ATOM 0 H LYS A 55 1.258 21.291 6.145 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.528 22.869 7.759 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.384 20.645 8.028 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.475 21.770 9.369 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.591 21.171 10.160 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.316 21.235 8.566 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.328 18.957 8.560 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.420 19.004 8.443 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.301 18.734 10.923 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.026 17.716 10.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.023 18.929 12.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.372 19.917 10.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.098 20.323 11.727 1.00 0.00 H new ATOM 908 N ALA A 56 2.661 23.706 7.491 1.00 0.00 N ATOM 909 CA ALA A 56 3.603 24.785 7.713 1.00 0.00 C ATOM 910 C ALA A 56 3.053 26.077 7.125 1.00 0.00 C ATOM 911 O ALA A 56 3.619 27.148 7.337 1.00 0.00 O ATOM 912 CB ALA A 56 4.943 24.428 7.078 1.00 0.00 C ATOM 0 H ALA A 56 3.051 22.904 6.995 1.00 0.00 H new ATOM 0 HA ALA A 56 3.751 24.930 8.783 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.652 25.239 7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.327 23.512 7.528 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.809 24.277 6.007 1.00 0.00 H new ATOM 918 N ALA A 57 1.948 25.974 6.384 1.00 0.00 N ATOM 919 CA ALA A 57 1.330 27.131 5.768 1.00 0.00 C ATOM 920 C ALA A 57 -0.019 27.403 6.420 1.00 0.00 C ATOM 921 O ALA A 57 -0.782 28.241 5.946 1.00 0.00 O ATOM 922 CB ALA A 57 1.167 26.884 4.271 1.00 0.00 C ATOM 0 H ALA A 57 1.467 25.093 6.200 1.00 0.00 H new ATOM 0 HA ALA A 57 1.964 28.006 5.911 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.702 27.754 3.807 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.145 26.713 3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.537 26.009 4.113 1.00 0.00 H new ATOM 928 N ASN A 58 -0.310 26.691 7.511 1.00 0.00 N ATOM 929 CA ASN A 58 -1.563 26.859 8.220 1.00 0.00 C ATOM 930 C ASN A 58 -2.721 26.407 7.342 1.00 0.00 C ATOM 931 O ASN A 58 -3.784 26.050 7.845 1.00 0.00 O ATOM 932 CB ASN A 58 -1.726 28.323 8.619 1.00 0.00 C ATOM 933 CG ASN A 58 -3.179 28.760 8.499 1.00 0.00 C ATOM 934 OD1 ASN A 58 -3.837 29.016 9.505 1.00 0.00 O ATOM 935 ND2 ASN A 58 -3.679 28.845 7.264 1.00 0.00 N ATOM 0 H ASN A 58 0.313 25.993 7.917 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.559 26.247 9.122 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.383 28.465 9.644 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.100 28.949 7.983 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.647 29.133 7.125 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.092 28.622 6.460 1.00 0.00 H new ATOM 942 N ARG A 59 -2.512 26.424 6.023 1.00 0.00 N ATOM 943 CA ARG A 59 -3.535 26.018 5.081 1.00 0.00 C ATOM 944 C ARG A 59 -4.217 24.750 5.575 1.00 0.00 C ATOM 945 O ARG A 59 -5.370 24.786 5.997 1.00 0.00 O ATOM 946 CB ARG A 59 -2.903 25.793 3.711 1.00 0.00 C ATOM 947 CG ARG A 59 -3.477 26.797 2.715 1.00 0.00 C ATOM 948 CD ARG A 59 -2.380 27.241 1.751 1.00 0.00 C ATOM 949 NE ARG A 59 -2.543 28.647 1.382 1.00 0.00 N ATOM 950 CZ ARG A 59 -1.644 29.313 0.645 1.00 0.00 C ATOM 951 NH1 ARG A 59 -0.538 28.691 0.213 1.00 0.00 N ATOM 952 NH2 ARG A 59 -1.849 30.602 0.340 1.00 0.00 N ATOM 0 H ARG A 59 -1.636 26.718 5.591 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.288 26.802 4.995 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.821 25.906 3.775 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.098 24.776 3.371 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.301 26.346 2.162 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.882 27.660 3.244 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.404 27.094 2.213 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.406 26.621 0.855 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.377 29.142 1.699 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.381 27.710 0.445 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.146 29.198 -0.348 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.690 31.076 0.669 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.164 31.108 -0.221 1.00 0.00 H new ATOM 966 N GLU A 60 -3.499 23.625 5.522 1.00 0.00 N ATOM 967 CA GLU A 60 -4.039 22.356 5.965 1.00 0.00 C ATOM 968 C GLU A 60 -5.539 22.311 5.710 1.00 0.00 C ATOM 969 O GLU A 60 -6.307 21.896 6.575 1.00 0.00 O ATOM 970 CB GLU A 60 -3.736 22.166 7.448 1.00 0.00 C ATOM 971 CG GLU A 60 -4.051 20.728 7.852 1.00 0.00 C ATOM 972 CD GLU A 60 -3.430 20.394 9.200 1.00 0.00 C ATOM 973 OE1 GLU A 60 -3.044 21.355 9.901 1.00 0.00 O ATOM 974 OE2 GLU A 60 -3.353 19.184 9.505 1.00 0.00 O ATOM 0 H GLU A 60 -2.541 23.577 5.174 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.574 21.545 5.405 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.688 22.390 7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.329 22.860 8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.131 20.588 7.900 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.674 20.042 7.093 1.00 0.00 H new ATOM 981 N ASP A 61 -5.955 22.742 4.517 1.00 0.00 N ATOM 982 CA ASP A 61 -7.357 22.751 4.154 1.00 0.00 C ATOM 983 C ASP A 61 -7.514 22.343 2.696 1.00 0.00 C ATOM 984 O ASP A 61 -8.461 21.644 2.343 1.00 0.00 O ATOM 985 CB ASP A 61 -7.935 24.143 4.392 1.00 0.00 C ATOM 986 CG ASP A 61 -8.881 24.142 5.584 1.00 0.00 C ATOM 987 OD1 ASP A 61 -9.956 23.518 5.455 1.00 0.00 O ATOM 988 OD2 ASP A 61 -8.512 24.766 6.602 1.00 0.00 O ATOM 0 H ASP A 61 -5.331 23.089 3.789 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.901 22.036 4.771 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.126 24.852 4.566 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.467 24.478 3.501 1.00 0.00 H new ATOM 993 N GLU A 62 -6.582 22.783 1.847 1.00 0.00 N ATOM 994 CA GLU A 62 -6.623 22.461 0.435 1.00 0.00 C ATOM 995 C GLU A 62 -6.122 21.041 0.211 1.00 0.00 C ATOM 996 O GLU A 62 -5.932 20.618 -0.927 1.00 0.00 O ATOM 997 CB GLU A 62 -5.772 23.463 -0.339 1.00 0.00 C ATOM 998 CG GLU A 62 -6.170 24.882 0.058 1.00 0.00 C ATOM 999 CD GLU A 62 -7.092 25.499 -0.984 1.00 0.00 C ATOM 1000 OE1 GLU A 62 -8.252 25.040 -1.059 1.00 0.00 O ATOM 1001 OE2 GLU A 62 -6.619 26.419 -1.687 1.00 0.00 O ATOM 0 H GLU A 62 -5.791 23.365 2.123 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.650 22.521 0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.715 23.298 -0.129 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.910 23.322 -1.411 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.669 24.866 1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.277 25.497 0.169 1.00 0.00 H new ATOM 1008 N ILE A 63 -5.907 20.305 1.304 1.00 0.00 N ATOM 1009 CA ILE A 63 -5.432 18.938 1.227 1.00 0.00 C ATOM 1010 C ILE A 63 -6.514 18.050 0.628 1.00 0.00 C ATOM 1011 O ILE A 63 -6.215 17.126 -0.125 1.00 0.00 O ATOM 1012 CB ILE A 63 -5.046 18.455 2.622 1.00 0.00 C ATOM 1013 CG1 ILE A 63 -4.889 19.654 3.552 1.00 0.00 C ATOM 1014 CG2 ILE A 63 -3.725 17.693 2.548 1.00 0.00 C ATOM 1015 CD1 ILE A 63 -3.793 20.572 3.018 1.00 0.00 C ATOM 0 H ILE A 63 -6.058 20.643 2.254 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.553 18.889 0.585 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.825 17.797 3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.831 20.198 3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.638 19.317 4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.448 17.347 3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.836 16.836 1.884 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.946 18.351 2.163 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.680 21.429 3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.852 20.025 2.969 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.063 20.919 2.021 1.00 0.00 H new ATOM 1027 N GLU A 64 -7.775 18.332 0.964 1.00 0.00 N ATOM 1028 CA GLU A 64 -8.890 17.559 0.456 1.00 0.00 C ATOM 1029 C GLU A 64 -8.846 17.521 -1.065 1.00 0.00 C ATOM 1030 O GLU A 64 -8.837 16.448 -1.664 1.00 0.00 O ATOM 1031 CB GLU A 64 -10.198 18.174 0.944 1.00 0.00 C ATOM 1032 CG GLU A 64 -10.904 17.194 1.877 1.00 0.00 C ATOM 1033 CD GLU A 64 -12.222 17.771 2.375 1.00 0.00 C ATOM 1034 OE1 GLU A 64 -12.164 18.831 3.034 1.00 0.00 O ATOM 1035 OE2 GLU A 64 -13.262 17.141 2.086 1.00 0.00 O ATOM 0 H GLU A 64 -8.041 19.094 1.588 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.824 16.535 0.825 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.000 19.110 1.465 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.840 18.411 0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.088 16.256 1.354 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.259 16.965 2.725 1.00 0.00 H new ATOM 1042 N LYS A 65 -8.819 18.701 -1.690 1.00 0.00 N ATOM 1043 CA LYS A 65 -8.775 18.797 -3.136 1.00 0.00 C ATOM 1044 C LYS A 65 -7.411 18.353 -3.644 1.00 0.00 C ATOM 1045 O LYS A 65 -7.307 17.753 -4.711 1.00 0.00 O ATOM 1046 CB LYS A 65 -9.067 20.234 -3.557 1.00 0.00 C ATOM 1047 CG LYS A 65 -8.385 21.197 -2.589 1.00 0.00 C ATOM 1048 CD LYS A 65 -7.263 21.936 -3.311 1.00 0.00 C ATOM 1049 CE LYS A 65 -7.533 23.438 -3.269 1.00 0.00 C ATOM 1050 NZ LYS A 65 -7.665 23.988 -4.627 1.00 0.00 N ATOM 0 H LYS A 65 -8.827 19.600 -1.209 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.531 18.143 -3.570 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.708 20.407 -4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.143 20.410 -3.565 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.111 21.910 -2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.984 20.649 -1.736 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.305 21.715 -2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.196 21.597 -4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.445 23.632 -2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.721 23.943 -2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.410 24.996 -4.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.031 23.475 -5.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.648 23.882 -4.950 1.00 0.00 H new ATOM 1064 N PHE A 66 -6.361 18.649 -2.874 1.00 0.00 N ATOM 1065 CA PHE A 66 -5.011 18.280 -3.249 1.00 0.00 C ATOM 1066 C PHE A 66 -4.853 16.767 -3.185 1.00 0.00 C ATOM 1067 O PHE A 66 -4.001 16.201 -3.866 1.00 0.00 O ATOM 1068 CB PHE A 66 -4.019 18.968 -2.315 1.00 0.00 C ATOM 1069 CG PHE A 66 -3.889 20.452 -2.561 1.00 0.00 C ATOM 1070 CD1 PHE A 66 -4.278 20.994 -3.792 1.00 0.00 C ATOM 1071 CD2 PHE A 66 -3.377 21.285 -1.560 1.00 0.00 C ATOM 1072 CE1 PHE A 66 -4.156 22.369 -4.021 1.00 0.00 C ATOM 1073 CE2 PHE A 66 -3.255 22.661 -1.789 1.00 0.00 C ATOM 1074 CZ PHE A 66 -3.644 23.203 -3.020 1.00 0.00 C ATOM 0 H PHE A 66 -6.430 19.145 -1.985 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.812 18.603 -4.271 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.331 18.805 -1.283 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.041 18.502 -2.430 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.672 20.351 -4.565 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.076 20.867 -0.611 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.457 22.787 -4.970 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.861 23.304 -1.016 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.549 24.264 -3.197 1.00 0.00 H new ATOM 1084 N ARG A 67 -5.678 16.114 -2.364 1.00 0.00 N ATOM 1085 CA ARG A 67 -5.626 14.674 -2.215 1.00 0.00 C ATOM 1086 C ARG A 67 -6.163 14.005 -3.472 1.00 0.00 C ATOM 1087 O ARG A 67 -5.445 13.263 -4.138 1.00 0.00 O ATOM 1088 CB ARG A 67 -6.442 14.260 -0.993 1.00 0.00 C ATOM 1089 CG ARG A 67 -5.507 13.708 0.079 1.00 0.00 C ATOM 1090 CD ARG A 67 -6.328 13.239 1.277 1.00 0.00 C ATOM 1091 NE ARG A 67 -5.705 12.081 1.920 1.00 0.00 N ATOM 1092 CZ ARG A 67 -5.851 11.809 3.224 1.00 0.00 C ATOM 1093 NH1 ARG A 67 -6.593 12.613 3.997 1.00 0.00 N ATOM 1094 NH2 ARG A 67 -5.254 10.733 3.755 1.00 0.00 N ATOM 0 H ARG A 67 -6.390 16.570 -1.794 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.593 14.357 -2.071 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.994 15.116 -0.604 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.178 13.506 -1.272 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.924 12.879 -0.323 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.798 14.476 0.389 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.423 14.052 1.997 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.336 12.981 0.953 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.135 11.454 1.351 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.047 13.432 3.593 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.704 12.406 4.990 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.689 10.121 3.167 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.365 10.526 4.748 1.00 0.00 H new ATOM 1108 N VAL A 68 -7.431 14.271 -3.796 1.00 0.00 N ATOM 1109 CA VAL A 68 -8.057 13.696 -4.970 1.00 0.00 C ATOM 1110 C VAL A 68 -7.169 13.915 -6.186 1.00 0.00 C ATOM 1111 O VAL A 68 -7.159 13.100 -7.106 1.00 0.00 O ATOM 1112 CB VAL A 68 -9.428 14.334 -5.178 1.00 0.00 C ATOM 1113 CG1 VAL A 68 -9.259 15.696 -5.845 1.00 0.00 C ATOM 1114 CG2 VAL A 68 -10.277 13.433 -6.070 1.00 0.00 C ATOM 0 H VAL A 68 -8.039 14.885 -3.254 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.188 12.623 -4.830 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.921 14.460 -4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.238 16.152 -5.994 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.652 16.340 -5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.767 15.570 -6.809 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.256 13.888 -6.219 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.784 13.307 -7.034 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.397 12.460 -5.595 1.00 0.00 H new ATOM 1124 N TRP A 69 -6.422 15.021 -6.190 1.00 0.00 N ATOM 1125 CA TRP A 69 -5.536 15.337 -7.293 1.00 0.00 C ATOM 1126 C TRP A 69 -4.437 14.288 -7.391 1.00 0.00 C ATOM 1127 O TRP A 69 -4.271 13.654 -8.431 1.00 0.00 O ATOM 1128 CB TRP A 69 -4.940 16.726 -7.083 1.00 0.00 C ATOM 1129 CG TRP A 69 -5.889 17.859 -7.311 1.00 0.00 C ATOM 1130 CD1 TRP A 69 -7.180 17.732 -7.687 1.00 0.00 C ATOM 1131 CD2 TRP A 69 -5.649 19.294 -7.186 1.00 0.00 C ATOM 1132 NE1 TRP A 69 -7.752 18.981 -7.802 1.00 0.00 N ATOM 1133 CE2 TRP A 69 -6.851 19.982 -7.504 1.00 0.00 C ATOM 1134 CE3 TRP A 69 -4.540 20.084 -6.836 1.00 0.00 C ATOM 1135 CZ2 TRP A 69 -6.948 21.376 -7.478 1.00 0.00 C ATOM 1136 CZ3 TRP A 69 -4.626 21.483 -6.807 1.00 0.00 C ATOM 1137 CH2 TRP A 69 -5.825 22.131 -7.126 1.00 0.00 C ATOM 0 H TRP A 69 -6.419 15.709 -5.437 1.00 0.00 H new ATOM 0 HA TRP A 69 -6.097 15.333 -8.227 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -4.557 16.791 -6.064 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -4.088 16.845 -7.752 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -7.686 16.796 -7.870 1.00 0.00 H new ATOM 0 HE1 TRP A 69 -8.721 19.145 -8.074 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -3.605 19.605 -6.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -7.879 21.864 -7.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -3.759 22.067 -6.536 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -5.882 23.209 -7.100 1.00 0.00 H new ATOM 1148 N ILE A 70 -3.686 14.107 -6.303 1.00 0.00 N ATOM 1149 CA ILE A 70 -2.609 13.138 -6.267 1.00 0.00 C ATOM 1150 C ILE A 70 -3.110 11.792 -6.773 1.00 0.00 C ATOM 1151 O ILE A 70 -2.329 10.984 -7.269 1.00 0.00 O ATOM 1152 CB ILE A 70 -2.081 13.017 -4.840 1.00 0.00 C ATOM 1153 CG1 ILE A 70 -1.077 14.135 -4.573 1.00 0.00 C ATOM 1154 CG2 ILE A 70 -1.395 11.665 -4.665 1.00 0.00 C ATOM 1155 CD1 ILE A 70 -1.617 15.052 -3.479 1.00 0.00 C ATOM 0 H ILE A 70 -3.812 14.626 -5.434 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.796 13.468 -6.914 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.910 13.098 -4.137 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.119 13.713 -4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.899 14.705 -5.485 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.018 11.578 -3.646 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.111 10.866 -4.856 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.565 11.584 -5.367 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.901 15.851 -3.287 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.565 15.484 -3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.772 14.477 -2.566 1.00 0.00 H new ATOM 1167 N SER A 71 -4.417 11.554 -6.647 1.00 0.00 N ATOM 1168 CA SER A 71 -5.013 10.311 -7.093 1.00 0.00 C ATOM 1169 C SER A 71 -5.187 10.334 -8.605 1.00 0.00 C ATOM 1170 O SER A 71 -5.084 9.299 -9.260 1.00 0.00 O ATOM 1171 CB SER A 71 -6.357 10.113 -6.397 1.00 0.00 C ATOM 1172 OG SER A 71 -6.274 9.013 -5.520 1.00 0.00 O ATOM 0 H SER A 71 -5.078 12.214 -6.237 1.00 0.00 H new ATOM 0 HA SER A 71 -4.359 9.478 -6.836 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.629 11.013 -5.845 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.140 9.944 -7.136 1.00 0.00 H new ATOM 0 HG SER A 71 -7.136 8.886 -5.072 1.00 0.00 H new ATOM 1178 N ILE A 72 -5.451 11.520 -9.158 1.00 0.00 N ATOM 1179 CA ILE A 72 -5.635 11.675 -10.587 1.00 0.00 C ATOM 1180 C ILE A 72 -4.357 11.285 -11.316 1.00 0.00 C ATOM 1181 O ILE A 72 -4.401 10.543 -12.294 1.00 0.00 O ATOM 1182 CB ILE A 72 -6.016 13.120 -10.896 1.00 0.00 C ATOM 1183 CG1 ILE A 72 -7.366 13.438 -10.260 1.00 0.00 C ATOM 1184 CG2 ILE A 72 -6.108 13.310 -12.407 1.00 0.00 C ATOM 1185 CD1 ILE A 72 -7.518 14.950 -10.118 1.00 0.00 C ATOM 0 H ILE A 72 -5.541 12.386 -8.627 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.438 11.021 -10.928 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.257 13.790 -10.491 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.173 13.037 -10.874 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.441 12.961 -9.283 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.380 14.342 -12.628 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.143 13.084 -12.862 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.866 12.640 -12.812 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.482 15.178 -9.664 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.719 15.338 -9.487 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.462 15.415 -11.102 1.00 0.00 H new ATOM 1197 N LEU A 73 -3.217 11.789 -10.837 1.00 0.00 N ATOM 1198 CA LEU A 73 -1.935 11.491 -11.444 1.00 0.00 C ATOM 1199 C LEU A 73 -1.719 9.985 -11.484 1.00 0.00 C ATOM 1200 O LEU A 73 -0.903 9.492 -12.259 1.00 0.00 O ATOM 1201 CB LEU A 73 -0.826 12.175 -10.650 1.00 0.00 C ATOM 1202 CG LEU A 73 -1.426 13.279 -9.785 1.00 0.00 C ATOM 1203 CD1 LEU A 73 -0.326 13.923 -8.946 1.00 0.00 C ATOM 1204 CD2 LEU A 73 -2.068 14.335 -10.681 1.00 0.00 C ATOM 0 H LEU A 73 -3.165 12.407 -10.027 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.917 11.867 -12.467 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.311 11.447 -10.023 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.083 12.594 -11.329 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.183 12.853 -9.126 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.755 14.712 -8.328 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.132 13.169 -8.306 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.431 14.349 -9.604 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.497 15.124 -10.063 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.312 14.761 -11.341 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.854 13.875 -11.280 1.00 0.00 H new ATOM 1216 N ASN A 74 -2.456 9.253 -10.645 1.00 0.00 N ATOM 1217 CA ASN A 74 -2.342 7.810 -10.590 1.00 0.00 C ATOM 1218 C ASN A 74 -3.314 7.175 -11.574 1.00 0.00 C ATOM 1219 O ASN A 74 -3.544 5.968 -11.535 1.00 0.00 O ATOM 1220 CB ASN A 74 -2.625 7.333 -9.168 1.00 0.00 C ATOM 1221 CG ASN A 74 -1.385 7.462 -8.295 1.00 0.00 C ATOM 1222 OD1 ASN A 74 -0.322 6.952 -8.644 1.00 0.00 O ATOM 1223 ND2 ASN A 74 -1.521 8.147 -7.158 1.00 0.00 N ATOM 0 H ASN A 74 -3.138 9.646 -9.996 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.331 7.512 -10.867 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.439 7.918 -8.739 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -2.955 6.294 -9.187 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.722 8.266 -6.535 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -2.424 8.552 -6.911 1.00 0.00 H new ATOM 1230 N ALA A 75 -3.884 7.993 -12.461 1.00 0.00 N ATOM 1231 CA ALA A 75 -4.827 7.511 -13.450 1.00 0.00 C ATOM 1232 C ALA A 75 -4.313 6.217 -14.065 1.00 0.00 C ATOM 1233 O ALA A 75 -4.776 5.133 -13.716 1.00 0.00 O ATOM 1234 CB ALA A 75 -5.027 8.578 -14.523 1.00 0.00 C ATOM 0 H ALA A 75 -3.702 8.996 -12.508 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.787 7.308 -12.975 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.736 8.217 -15.268 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.415 9.487 -14.064 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.073 8.793 -15.005 1.00 0.00 H new ATOM 1240 N GLY A 76 -3.352 6.332 -14.984 1.00 0.00 N ATOM 1241 CA GLY A 76 -2.783 5.171 -15.640 1.00 0.00 C ATOM 1242 C GLY A 76 -2.120 4.260 -14.617 1.00 0.00 C ATOM 1243 O GLY A 76 -2.147 3.039 -14.757 1.00 0.00 O ATOM 0 H GLY A 76 -2.956 7.222 -15.286 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.563 4.626 -16.171 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.052 5.487 -16.384 1.00 0.00 H new ATOM 1247 N GLN A 77 -1.521 4.858 -13.585 1.00 0.00 N ATOM 1248 CA GLN A 77 -0.853 4.101 -12.545 1.00 0.00 C ATOM 1249 C GLN A 77 -1.876 3.301 -11.751 1.00 0.00 C ATOM 1250 O GLN A 77 -1.510 2.446 -10.947 1.00 0.00 O ATOM 1251 CB GLN A 77 -0.088 5.056 -11.634 1.00 0.00 C ATOM 1252 CG GLN A 77 0.521 4.275 -10.473 1.00 0.00 C ATOM 1253 CD GLN A 77 -0.395 4.306 -9.259 1.00 0.00 C ATOM 1254 OE1 GLN A 77 0.055 4.094 -8.134 1.00 0.00 O ATOM 1255 NE2 GLN A 77 -1.683 4.569 -9.487 1.00 0.00 N ATOM 1256 OXT GLN A 77 -3.079 3.501 -11.903 1.00 0.00 O ATOM 0 H GLN A 77 -1.490 5.869 -13.455 1.00 0.00 H new ATOM 0 HA GLN A 77 -0.146 3.404 -12.994 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.696 5.562 -12.197 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.757 5.828 -11.255 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.696 3.243 -10.776 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.491 4.699 -10.213 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.008 4.738 -10.439 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.342 4.601 -8.709 1.00 0.00 H new TER 1265 GLN A 77