USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 717 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 179:sc= -1.69 (180deg=-1.77) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.0354 (180deg=-0.196) USER MOD Single : A 2 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0222) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : A 11 GLN : amide:sc= -0.065 X(o=-0.065,f=-0.021) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.62) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 140:sc= -0.527 USER MOD Single : A 41 SER OG : rot -46:sc= 0.0887 USER MOD Single : A 46 HIS : no HD1:sc= -0.811 X(o=-0.81,f=-0.46) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -140:sc=-0.00843 USER MOD Single : A 57 ASN : amide:sc= -0.361 K(o=-0.36,f=-7.1!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -1.34 K(o=-1.3,f=-2.1) USER MOD Single : A 76 LYS NZ :NH3+ -173:sc= -0.372 (180deg=-0.549) USER MOD Single : A 78 ASN : amide:sc= -0.0177 X(o=-0.018,f=-0.51) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.34) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0304 USER MOD Single : A 89 HIS : no HD1:sc= -0.0304 X(o=-0.03,f=0) USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.825 -13.077 11.576 1.00 0.00 N ATOM 2 CA MET A 1 -20.014 -12.323 11.953 1.00 0.00 C ATOM 3 C MET A 1 -19.961 -10.893 11.372 1.00 0.00 C ATOM 4 O MET A 1 -18.880 -10.320 11.231 1.00 0.00 O ATOM 5 CB MET A 1 -20.169 -12.277 13.487 1.00 0.00 C ATOM 6 CG MET A 1 -20.513 -13.634 14.123 1.00 0.00 C ATOM 7 SD MET A 1 -22.289 -13.845 14.463 1.00 0.00 S ATOM 8 CE MET A 1 -23.008 -13.201 12.924 1.00 0.00 C ATOM 0 H1 MET A 1 -19.082 -13.805 10.880 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.123 -12.433 11.160 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.420 -13.532 12.419 1.00 0.00 H new ATOM 0 HA MET A 1 -20.883 -12.831 11.536 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.242 -11.907 13.924 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.950 -11.560 13.741 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.181 -14.432 13.460 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.957 -13.741 15.054 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.094 -13.279 12.969 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.724 -12.156 12.799 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.638 -13.781 12.079 1.00 0.00 H new ATOM 19 N LYS A 2 -21.134 -10.322 11.035 1.00 0.00 N ATOM 20 CA LYS A 2 -21.291 -9.039 10.337 1.00 0.00 C ATOM 21 C LYS A 2 -22.371 -8.176 11.027 1.00 0.00 C ATOM 22 O LYS A 2 -22.753 -8.453 12.165 1.00 0.00 O ATOM 23 CB LYS A 2 -21.630 -9.291 8.852 1.00 0.00 C ATOM 24 CG LYS A 2 -20.731 -10.367 8.219 1.00 0.00 C ATOM 25 CD LYS A 2 -21.221 -10.799 6.830 1.00 0.00 C ATOM 26 CE LYS A 2 -20.709 -12.213 6.513 1.00 0.00 C ATOM 27 NZ LYS A 2 -21.501 -13.251 7.196 1.00 0.00 N ATOM 0 H LYS A 2 -22.029 -10.761 11.251 1.00 0.00 H new ATOM 0 HA LYS A 2 -20.353 -8.486 10.383 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -22.673 -9.597 8.767 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -21.525 -8.360 8.295 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.713 -9.985 8.139 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -20.694 -11.237 8.875 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -22.310 -10.781 6.797 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -20.868 -10.097 6.075 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -20.745 -12.379 5.436 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -19.665 -12.297 6.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -20.897 -14.074 7.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -21.874 -12.871 8.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -22.292 -13.542 6.586 1.00 0.00 H new ATOM 41 N LYS A 3 -22.857 -7.129 10.333 1.00 0.00 N ATOM 42 CA LYS A 3 -23.911 -6.214 10.792 1.00 0.00 C ATOM 43 C LYS A 3 -23.398 -5.335 11.953 1.00 0.00 C ATOM 44 O LYS A 3 -23.078 -5.850 13.026 1.00 0.00 O ATOM 45 CB LYS A 3 -25.161 -7.023 11.201 1.00 0.00 C ATOM 46 CG LYS A 3 -25.515 -8.115 10.177 1.00 0.00 C ATOM 47 CD LYS A 3 -26.752 -8.927 10.587 1.00 0.00 C ATOM 48 CE LYS A 3 -28.010 -8.320 9.947 1.00 0.00 C ATOM 49 NZ LYS A 3 -29.148 -9.256 9.974 1.00 0.00 N ATOM 0 H LYS A 3 -22.511 -6.891 9.403 1.00 0.00 H new ATOM 0 HA LYS A 3 -24.189 -5.546 9.977 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -24.990 -7.483 12.174 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -26.008 -6.346 11.313 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -25.693 -7.654 9.206 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -24.665 -8.788 10.060 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -26.638 -9.964 10.273 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -26.852 -8.932 11.672 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -28.280 -7.405 10.475 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -27.794 -8.041 8.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -29.976 -8.808 9.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -28.900 -10.119 9.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -29.371 -9.503 10.959 1.00 0.00 H new ATOM 63 N ALA A 4 -23.321 -4.009 11.733 1.00 0.00 N ATOM 64 CA ALA A 4 -22.681 -3.030 12.623 1.00 0.00 C ATOM 65 C ALA A 4 -21.151 -3.235 12.674 1.00 0.00 C ATOM 66 O ALA A 4 -20.677 -4.244 13.197 1.00 0.00 O ATOM 67 CB ALA A 4 -23.287 -3.135 14.032 1.00 0.00 C ATOM 0 H ALA A 4 -23.718 -3.577 10.899 1.00 0.00 H new ATOM 0 HA ALA A 4 -22.866 -2.032 12.227 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -22.810 -2.408 14.689 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -24.357 -2.933 13.984 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -23.125 -4.139 14.424 1.00 0.00 H new ATOM 73 N THR A 5 -20.384 -2.270 12.131 1.00 0.00 N ATOM 74 CA THR A 5 -18.947 -2.381 11.841 1.00 0.00 C ATOM 75 C THR A 5 -18.706 -3.462 10.765 1.00 0.00 C ATOM 76 O THR A 5 -18.615 -4.648 11.086 1.00 0.00 O ATOM 77 CB THR A 5 -18.170 -2.687 13.143 1.00 0.00 C ATOM 78 OG1 THR A 5 -18.936 -2.300 14.270 1.00 0.00 O ATOM 79 CG2 THR A 5 -16.813 -1.966 13.217 1.00 0.00 C ATOM 0 H THR A 5 -20.765 -1.359 11.874 1.00 0.00 H new ATOM 0 HA THR A 5 -18.579 -1.434 11.447 1.00 0.00 H new ATOM 0 HB THR A 5 -17.986 -3.761 13.141 1.00 0.00 H new ATOM 0 HG1 THR A 5 -18.436 -2.499 15.089 1.00 0.00 H new ATOM 0 HG21 THR A 5 -16.316 -2.221 14.153 1.00 0.00 H new ATOM 0 HG22 THR A 5 -16.189 -2.277 12.379 1.00 0.00 H new ATOM 0 HG23 THR A 5 -16.971 -0.888 13.171 1.00 0.00 H new ATOM 87 N CYS A 6 -18.605 -3.046 9.488 1.00 0.00 N ATOM 88 CA CYS A 6 -18.580 -3.917 8.304 1.00 0.00 C ATOM 89 C CYS A 6 -17.288 -3.682 7.492 1.00 0.00 C ATOM 90 O CYS A 6 -16.926 -2.539 7.212 1.00 0.00 O ATOM 91 CB CYS A 6 -19.838 -3.666 7.449 1.00 0.00 C ATOM 92 SG CYS A 6 -21.335 -3.550 8.475 1.00 0.00 S ATOM 0 H CYS A 6 -18.536 -2.057 9.247 1.00 0.00 H new ATOM 0 HA CYS A 6 -18.584 -4.960 8.620 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -19.714 -2.744 6.881 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -19.954 -4.473 6.726 1.00 0.00 H new ATOM 0 HG CYS A 6 -22.367 -3.336 7.714 1.00 0.00 H new ATOM 98 N LEU A 7 -16.594 -4.776 7.110 1.00 0.00 N ATOM 99 CA LEU A 7 -15.406 -4.796 6.244 1.00 0.00 C ATOM 100 C LEU A 7 -15.809 -4.928 4.757 1.00 0.00 C ATOM 101 O LEU A 7 -15.012 -5.359 3.924 1.00 0.00 O ATOM 102 CB LEU A 7 -14.489 -5.972 6.641 1.00 0.00 C ATOM 103 CG LEU A 7 -13.221 -5.590 7.436 1.00 0.00 C ATOM 104 CD1 LEU A 7 -12.049 -5.402 6.460 1.00 0.00 C ATOM 105 CD2 LEU A 7 -13.411 -4.298 8.247 1.00 0.00 C ATOM 0 H LEU A 7 -16.864 -5.711 7.414 1.00 0.00 H new ATOM 0 HA LEU A 7 -14.871 -3.855 6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -15.070 -6.678 7.235 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -14.184 -6.494 5.734 1.00 0.00 H new ATOM 0 HG LEU A 7 -13.016 -6.398 8.138 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -11.152 -5.132 7.017 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.874 -6.331 5.918 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -12.289 -4.609 5.752 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.493 -4.070 8.789 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -13.647 -3.476 7.571 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -14.228 -4.431 8.957 1.00 0.00 H new ATOM 117 N THR A 8 -17.062 -4.534 4.442 1.00 0.00 N ATOM 118 CA THR A 8 -17.632 -4.447 3.092 1.00 0.00 C ATOM 119 C THR A 8 -16.713 -3.626 2.160 1.00 0.00 C ATOM 120 O THR A 8 -16.041 -2.697 2.611 1.00 0.00 O ATOM 121 CB THR A 8 -19.054 -3.838 3.159 1.00 0.00 C ATOM 122 OG1 THR A 8 -19.080 -2.746 4.060 1.00 0.00 O ATOM 123 CG2 THR A 8 -20.123 -4.849 3.610 1.00 0.00 C ATOM 0 H THR A 8 -17.730 -4.256 5.161 1.00 0.00 H new ATOM 0 HA THR A 8 -17.707 -5.451 2.675 1.00 0.00 H new ATOM 0 HB THR A 8 -19.289 -3.518 2.144 1.00 0.00 H new ATOM 0 HG1 THR A 8 -19.984 -2.369 4.091 1.00 0.00 H new ATOM 0 HG21 THR A 8 -21.097 -4.361 3.637 1.00 0.00 H new ATOM 0 HG22 THR A 8 -20.154 -5.683 2.909 1.00 0.00 H new ATOM 0 HG23 THR A 8 -19.876 -5.220 4.605 1.00 0.00 H new ATOM 131 N ASP A 9 -16.676 -3.986 0.862 1.00 0.00 N ATOM 132 CA ASP A 9 -15.727 -3.477 -0.138 1.00 0.00 C ATOM 133 C ASP A 9 -15.795 -1.938 -0.248 1.00 0.00 C ATOM 134 O ASP A 9 -14.824 -1.302 -0.665 1.00 0.00 O ATOM 135 CB ASP A 9 -15.996 -4.148 -1.501 1.00 0.00 C ATOM 136 CG ASP A 9 -17.487 -4.337 -1.808 1.00 0.00 C ATOM 137 OD1 ASP A 9 -18.199 -3.310 -1.863 1.00 0.00 O ATOM 138 OD2 ASP A 9 -17.896 -5.508 -1.980 1.00 0.00 O ATOM 0 H ASP A 9 -17.331 -4.663 0.471 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.716 -3.729 0.183 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -15.545 -3.545 -2.289 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.503 -5.120 -1.522 1.00 0.00 H new ATOM 143 N ASP A 10 -16.938 -1.339 0.138 1.00 0.00 N ATOM 144 CA ASP A 10 -17.128 0.109 0.310 1.00 0.00 C ATOM 145 C ASP A 10 -15.956 0.744 1.091 1.00 0.00 C ATOM 146 O ASP A 10 -15.179 1.510 0.519 1.00 0.00 O ATOM 147 CB ASP A 10 -18.482 0.361 1.011 1.00 0.00 C ATOM 148 CG ASP A 10 -19.693 0.039 0.127 1.00 0.00 C ATOM 149 OD1 ASP A 10 -19.567 -0.887 -0.705 1.00 0.00 O ATOM 150 OD2 ASP A 10 -20.722 0.729 0.291 1.00 0.00 O ATOM 0 H ASP A 10 -17.783 -1.872 0.345 1.00 0.00 H new ATOM 0 HA ASP A 10 -17.142 0.587 -0.670 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -18.532 -0.243 1.917 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -18.534 1.405 1.320 1.00 0.00 H new ATOM 155 N GLN A 11 -15.846 0.435 2.397 1.00 0.00 N ATOM 156 CA GLN A 11 -14.943 1.062 3.377 1.00 0.00 C ATOM 157 C GLN A 11 -13.528 0.466 3.283 1.00 0.00 C ATOM 158 O GLN A 11 -12.552 1.113 3.666 1.00 0.00 O ATOM 159 CB GLN A 11 -15.551 0.894 4.788 1.00 0.00 C ATOM 160 CG GLN A 11 -15.111 1.988 5.779 1.00 0.00 C ATOM 161 CD GLN A 11 -15.962 3.267 5.740 1.00 0.00 C ATOM 162 OE1 GLN A 11 -15.416 4.361 5.608 1.00 0.00 O ATOM 163 NE2 GLN A 11 -17.290 3.153 5.843 1.00 0.00 N ATOM 0 H GLN A 11 -16.416 -0.299 2.818 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.843 2.126 3.162 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -16.638 0.901 4.710 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.266 -0.081 5.184 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -15.141 1.578 6.789 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -14.074 2.251 5.572 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -17.716 2.233 5.952 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -17.877 3.986 5.813 1.00 0.00 H new ATOM 172 N ARG A 12 -13.408 -0.752 2.724 1.00 0.00 N ATOM 173 CA ARG A 12 -12.182 -1.279 2.109 1.00 0.00 C ATOM 174 C ARG A 12 -11.498 -0.168 1.276 1.00 0.00 C ATOM 175 O ARG A 12 -10.399 0.311 1.552 1.00 0.00 O ATOM 176 CB ARG A 12 -12.546 -2.489 1.223 1.00 0.00 C ATOM 177 CG ARG A 12 -12.404 -3.819 1.980 1.00 0.00 C ATOM 178 CD ARG A 12 -12.601 -5.038 1.072 1.00 0.00 C ATOM 179 NE ARG A 12 -12.058 -6.253 1.697 1.00 0.00 N ATOM 180 CZ ARG A 12 -12.625 -7.473 1.697 1.00 0.00 C ATOM 181 NH1 ARG A 12 -13.833 -7.688 1.153 1.00 0.00 N ATOM 182 NH2 ARG A 12 -11.968 -8.501 2.256 1.00 0.00 N ATOM 0 H ARG A 12 -14.184 -1.413 2.688 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.484 -1.604 2.880 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -13.570 -2.382 0.866 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.902 -2.502 0.344 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -11.416 -3.868 2.439 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.133 -3.852 2.789 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -13.662 -5.174 0.865 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.109 -4.866 0.115 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.163 -6.162 2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.345 -6.916 0.726 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.239 -8.623 1.167 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.050 -8.352 2.674 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.387 -9.431 2.263 1.00 0.00 H new ATOM 196 N TRP A 13 -12.249 0.295 0.235 1.00 0.00 N ATOM 197 CA TRP A 13 -11.858 1.415 -0.625 1.00 0.00 C ATOM 198 C TRP A 13 -12.178 2.796 -0.018 1.00 0.00 C ATOM 199 O TRP A 13 -11.505 3.774 -0.410 1.00 0.00 O ATOM 200 CB TRP A 13 -12.504 1.287 -2.028 1.00 0.00 C ATOM 201 CG TRP A 13 -11.763 2.060 -3.089 1.00 0.00 C ATOM 202 CD1 TRP A 13 -12.266 3.023 -3.894 1.00 0.00 C ATOM 203 CD2 TRP A 13 -10.334 1.990 -3.401 1.00 0.00 C ATOM 204 NE1 TRP A 13 -11.262 3.571 -4.663 1.00 0.00 N ATOM 205 CE2 TRP A 13 -10.045 2.978 -4.398 1.00 0.00 C ATOM 206 CE3 TRP A 13 -9.251 1.197 -2.946 1.00 0.00 C ATOM 207 CZ2 TRP A 13 -8.743 3.188 -4.886 1.00 0.00 C ATOM 208 CZ3 TRP A 13 -7.959 1.331 -3.508 1.00 0.00 C ATOM 209 CH2 TRP A 13 -7.703 2.331 -4.469 1.00 0.00 C ATOM 0 H TRP A 13 -13.148 -0.113 -0.020 1.00 0.00 H new ATOM 0 HA TRP A 13 -10.773 1.356 -0.717 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -12.540 0.235 -2.311 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -13.534 1.640 -1.981 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -13.304 3.320 -3.929 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -11.401 4.320 -5.342 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -9.414 0.478 -2.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -8.541 3.997 -5.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -7.166 0.665 -3.200 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -6.712 2.440 -4.885 1.00 0.00 H new ATOM 220 N GLN A 14 -13.164 2.941 0.887 1.00 0.00 N ATOM 221 CA GLN A 14 -13.551 4.242 1.477 1.00 0.00 C ATOM 222 C GLN A 14 -12.499 4.669 2.525 1.00 0.00 C ATOM 223 O GLN A 14 -12.042 5.813 2.513 1.00 0.00 O ATOM 224 CB GLN A 14 -14.973 4.157 2.067 1.00 0.00 C ATOM 225 CG GLN A 14 -16.068 4.672 1.110 1.00 0.00 C ATOM 226 CD GLN A 14 -16.507 6.126 1.342 1.00 0.00 C ATOM 227 OE1 GLN A 14 -17.703 6.390 1.460 1.00 0.00 O ATOM 228 NE2 GLN A 14 -15.571 7.079 1.406 1.00 0.00 N ATOM 0 H GLN A 14 -13.718 2.158 1.233 1.00 0.00 H new ATOM 0 HA GLN A 14 -13.574 5.010 0.704 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.188 3.121 2.328 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -15.009 4.733 2.992 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -15.707 4.577 0.086 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -16.941 4.026 1.202 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -14.586 6.834 1.305 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -15.842 8.051 1.556 1.00 0.00 H new ATOM 237 N SER A 15 -12.086 3.728 3.401 1.00 0.00 N ATOM 238 CA SER A 15 -10.832 3.803 4.169 1.00 0.00 C ATOM 239 C SER A 15 -9.641 4.198 3.255 1.00 0.00 C ATOM 240 O SER A 15 -8.993 5.222 3.465 1.00 0.00 O ATOM 241 CB SER A 15 -10.550 2.482 4.911 1.00 0.00 C ATOM 242 OG SER A 15 -11.151 2.462 6.191 1.00 0.00 O ATOM 0 H SER A 15 -12.625 2.884 3.595 1.00 0.00 H new ATOM 0 HA SER A 15 -10.950 4.584 4.920 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.924 1.646 4.320 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.473 2.344 5.012 1.00 0.00 H new ATOM 0 HG SER A 15 -10.953 1.610 6.632 1.00 0.00 H new ATOM 248 N VAL A 16 -9.370 3.337 2.244 1.00 0.00 N ATOM 249 CA VAL A 16 -8.249 3.479 1.305 1.00 0.00 C ATOM 250 C VAL A 16 -8.369 4.793 0.499 1.00 0.00 C ATOM 251 O VAL A 16 -7.342 5.373 0.122 1.00 0.00 O ATOM 252 CB VAL A 16 -8.174 2.252 0.357 1.00 0.00 C ATOM 253 CG1 VAL A 16 -7.423 2.577 -0.949 1.00 0.00 C ATOM 254 CG2 VAL A 16 -7.480 1.044 1.010 1.00 0.00 C ATOM 0 H VAL A 16 -9.940 2.511 2.062 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.324 3.522 1.880 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.212 2.000 0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.394 1.690 -1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.938 3.382 -1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.405 2.889 -0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.454 0.214 0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.462 1.316 1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.032 0.746 1.901 1.00 0.00 H new ATOM 264 N LEU A 17 -9.598 5.264 0.217 1.00 0.00 N ATOM 265 CA LEU A 17 -9.877 6.486 -0.555 1.00 0.00 C ATOM 266 C LEU A 17 -9.573 7.739 0.300 1.00 0.00 C ATOM 267 O LEU A 17 -9.058 8.738 -0.203 1.00 0.00 O ATOM 268 CB LEU A 17 -11.350 6.524 -1.013 1.00 0.00 C ATOM 269 CG LEU A 17 -11.623 5.935 -2.413 1.00 0.00 C ATOM 270 CD1 LEU A 17 -13.123 6.047 -2.726 1.00 0.00 C ATOM 271 CD2 LEU A 17 -10.825 6.656 -3.512 1.00 0.00 C ATOM 0 H LEU A 17 -10.446 4.791 0.529 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.235 6.481 -1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.953 5.981 -0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.690 7.559 -1.000 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.306 4.892 -2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -13.320 5.632 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -13.693 5.493 -1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.422 7.095 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.050 6.207 -4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.100 7.711 -3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.758 6.563 -3.308 1.00 0.00 H new ATOM 283 N ALA A 18 -9.890 7.650 1.610 1.00 0.00 N ATOM 284 CA ALA A 18 -9.594 8.654 2.639 1.00 0.00 C ATOM 285 C ALA A 18 -8.070 8.896 2.740 1.00 0.00 C ATOM 286 O ALA A 18 -7.628 9.931 3.240 1.00 0.00 O ATOM 287 CB ALA A 18 -10.162 8.205 3.995 1.00 0.00 C ATOM 0 H ALA A 18 -10.380 6.840 1.989 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.069 9.594 2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.937 8.957 4.751 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -11.242 8.084 3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.710 7.255 4.282 1.00 0.00 H new ATOM 293 N ARG A 19 -7.277 7.909 2.271 1.00 0.00 N ATOM 294 CA ARG A 19 -5.809 7.890 2.337 1.00 0.00 C ATOM 295 C ARG A 19 -5.327 7.571 3.772 1.00 0.00 C ATOM 296 O ARG A 19 -4.263 8.030 4.187 1.00 0.00 O ATOM 297 CB ARG A 19 -5.240 9.222 1.808 1.00 0.00 C ATOM 298 CG ARG A 19 -3.813 9.091 1.247 1.00 0.00 C ATOM 299 CD ARG A 19 -3.398 10.375 0.515 1.00 0.00 C ATOM 300 NE ARG A 19 -3.628 10.272 -0.934 1.00 0.00 N ATOM 301 CZ ARG A 19 -4.721 10.711 -1.588 1.00 0.00 C ATOM 302 NH1 ARG A 19 -5.736 11.301 -0.936 1.00 0.00 N ATOM 303 NH2 ARG A 19 -4.799 10.557 -2.917 1.00 0.00 N ATOM 0 H ARG A 19 -7.659 7.077 1.821 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.431 7.094 1.696 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.897 9.606 1.027 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.241 9.956 2.614 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.115 8.888 2.059 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.762 8.244 0.563 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.960 11.219 0.914 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.343 10.577 0.703 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.897 9.830 -1.492 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.689 11.425 0.075 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.554 11.626 -1.452 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.035 10.111 -3.424 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.622 10.886 -3.421 1.00 0.00 H new ATOM 317 N ASP A 20 -6.141 6.801 4.522 1.00 0.00 N ATOM 318 CA ASP A 20 -6.086 6.659 5.983 1.00 0.00 C ATOM 319 C ASP A 20 -4.707 6.112 6.429 1.00 0.00 C ATOM 320 O ASP A 20 -4.499 4.898 6.368 1.00 0.00 O ATOM 321 CB ASP A 20 -7.240 5.744 6.451 1.00 0.00 C ATOM 322 CG ASP A 20 -7.199 5.432 7.951 1.00 0.00 C ATOM 323 OD1 ASP A 20 -6.353 4.597 8.343 1.00 0.00 O ATOM 324 OD2 ASP A 20 -8.015 6.033 8.684 1.00 0.00 O ATOM 0 H ASP A 20 -6.884 6.240 4.105 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.208 7.637 6.448 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.191 6.220 6.212 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.202 4.809 5.892 1.00 0.00 H new ATOM 329 N PRO A 21 -3.739 6.971 6.833 1.00 0.00 N ATOM 330 CA PRO A 21 -2.314 6.612 6.944 1.00 0.00 C ATOM 331 C PRO A 21 -2.053 5.529 8.016 1.00 0.00 C ATOM 332 O PRO A 21 -1.088 4.769 7.924 1.00 0.00 O ATOM 333 CB PRO A 21 -1.573 7.916 7.279 1.00 0.00 C ATOM 334 CG PRO A 21 -2.648 8.777 7.936 1.00 0.00 C ATOM 335 CD PRO A 21 -3.911 8.379 7.171 1.00 0.00 C ATOM 0 HA PRO A 21 -1.961 6.175 6.010 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.734 7.739 7.951 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.170 8.390 6.384 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.738 8.569 9.002 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.432 9.841 7.836 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.802 8.530 7.781 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.033 8.985 6.273 1.00 0.00 H new ATOM 343 N ASN A 22 -2.924 5.481 9.046 1.00 0.00 N ATOM 344 CA ASN A 22 -2.788 4.693 10.279 1.00 0.00 C ATOM 345 C ASN A 22 -3.566 3.363 10.186 1.00 0.00 C ATOM 346 O ASN A 22 -3.779 2.698 11.206 1.00 0.00 O ATOM 347 CB ASN A 22 -3.299 5.524 11.477 1.00 0.00 C ATOM 348 CG ASN A 22 -3.086 4.844 12.835 1.00 0.00 C ATOM 349 OD1 ASN A 22 -3.907 4.984 13.741 1.00 0.00 O ATOM 350 ND2 ASN A 22 -1.987 4.099 12.983 1.00 0.00 N ATOM 0 H ASN A 22 -3.788 6.023 9.034 1.00 0.00 H new ATOM 0 HA ASN A 22 -1.734 4.452 10.420 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.793 6.489 11.481 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.362 5.722 11.343 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.808 3.625 13.868 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.327 4.004 12.211 1.00 0.00 H new ATOM 357 N ALA A 23 -3.977 2.957 8.969 1.00 0.00 N ATOM 358 CA ALA A 23 -4.524 1.629 8.649 1.00 0.00 C ATOM 359 C ALA A 23 -3.461 0.737 7.970 1.00 0.00 C ATOM 360 O ALA A 23 -3.805 -0.260 7.333 1.00 0.00 O ATOM 361 CB ALA A 23 -5.763 1.783 7.753 1.00 0.00 C ATOM 0 H ALA A 23 -3.935 3.569 8.154 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.816 1.139 9.577 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.166 0.798 7.517 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.519 2.369 8.275 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.484 2.291 6.830 1.00 0.00 H new ATOM 367 N ASP A 24 -2.170 1.084 8.132 1.00 0.00 N ATOM 368 CA ASP A 24 -1.016 0.204 7.891 1.00 0.00 C ATOM 369 C ASP A 24 -0.879 -0.852 9.010 1.00 0.00 C ATOM 370 O ASP A 24 -0.651 -0.507 10.170 1.00 0.00 O ATOM 371 CB ASP A 24 0.260 1.066 7.756 1.00 0.00 C ATOM 372 CG ASP A 24 0.748 1.651 9.086 1.00 0.00 C ATOM 373 OD1 ASP A 24 -0.111 2.160 9.839 1.00 0.00 O ATOM 374 OD2 ASP A 24 1.972 1.576 9.333 1.00 0.00 O ATOM 0 H ASP A 24 -1.895 2.015 8.444 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.167 -0.344 6.961 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.055 0.459 7.322 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.066 1.881 7.059 1.00 0.00 H new ATOM 379 N GLY A 25 -1.038 -2.143 8.656 1.00 0.00 N ATOM 380 CA GLY A 25 -1.225 -3.267 9.582 1.00 0.00 C ATOM 381 C GLY A 25 -2.696 -3.726 9.654 1.00 0.00 C ATOM 382 O GLY A 25 -2.973 -4.860 10.053 1.00 0.00 O ATOM 0 H GLY A 25 -1.039 -2.438 7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.601 -4.103 9.266 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.888 -2.975 10.577 1.00 0.00 H new ATOM 386 N GLU A 26 -3.641 -2.840 9.286 1.00 0.00 N ATOM 387 CA GLU A 26 -5.091 -3.095 9.249 1.00 0.00 C ATOM 388 C GLU A 26 -5.454 -3.991 8.046 1.00 0.00 C ATOM 389 O GLU A 26 -6.212 -4.951 8.185 1.00 0.00 O ATOM 390 CB GLU A 26 -5.856 -1.755 9.203 1.00 0.00 C ATOM 391 CG GLU A 26 -7.160 -1.788 10.023 1.00 0.00 C ATOM 392 CD GLU A 26 -8.304 -0.966 9.417 1.00 0.00 C ATOM 393 OE1 GLU A 26 -8.908 -1.482 8.450 1.00 0.00 O ATOM 394 OE2 GLU A 26 -8.560 0.154 9.913 1.00 0.00 O ATOM 0 H GLU A 26 -3.405 -1.891 8.996 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.384 -3.627 10.154 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.213 -0.961 9.582 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.089 -1.509 8.167 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.486 -2.823 10.125 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.954 -1.418 11.027 1.00 0.00 H new ATOM 401 N PHE A 27 -4.890 -3.668 6.860 1.00 0.00 N ATOM 402 CA PHE A 27 -4.990 -4.463 5.628 1.00 0.00 C ATOM 403 C PHE A 27 -3.920 -4.048 4.593 1.00 0.00 C ATOM 404 O PHE A 27 -3.102 -3.166 4.855 1.00 0.00 O ATOM 405 CB PHE A 27 -6.396 -4.324 5.005 1.00 0.00 C ATOM 406 CG PHE A 27 -6.940 -2.908 4.838 1.00 0.00 C ATOM 407 CD1 PHE A 27 -6.288 -1.794 5.410 1.00 0.00 C ATOM 408 CD2 PHE A 27 -8.117 -2.704 4.069 1.00 0.00 C ATOM 409 CE1 PHE A 27 -6.814 -0.496 5.241 1.00 0.00 C ATOM 410 CE2 PHE A 27 -8.630 -1.403 3.883 1.00 0.00 C ATOM 411 CZ PHE A 27 -7.983 -0.299 4.478 1.00 0.00 C ATOM 0 H PHE A 27 -4.337 -2.820 6.737 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.816 -5.504 5.900 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.381 -4.800 4.024 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.097 -4.886 5.621 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.382 -1.936 5.980 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.622 -3.549 3.625 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.320 0.349 5.697 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.517 -1.252 3.286 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.383 0.696 4.349 1.00 0.00 H new ATOM 421 N VAL A 28 -3.954 -4.682 3.401 1.00 0.00 N ATOM 422 CA VAL A 28 -3.303 -4.232 2.160 1.00 0.00 C ATOM 423 C VAL A 28 -4.349 -4.130 1.029 1.00 0.00 C ATOM 424 O VAL A 28 -5.488 -4.575 1.198 1.00 0.00 O ATOM 425 CB VAL A 28 -2.141 -5.183 1.765 1.00 0.00 C ATOM 426 CG1 VAL A 28 -1.243 -5.519 2.974 1.00 0.00 C ATOM 427 CG2 VAL A 28 -2.632 -6.504 1.146 1.00 0.00 C ATOM 0 H VAL A 28 -4.459 -5.559 3.276 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.873 -3.245 2.327 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.569 -4.637 1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.442 -6.187 2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.814 -4.601 3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.839 -6.007 3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.775 -7.127 0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.262 -7.030 1.863 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.208 -6.292 0.245 1.00 0.00 H new ATOM 437 N PHE A 29 -3.968 -3.556 -0.131 1.00 0.00 N ATOM 438 CA PHE A 29 -4.755 -3.572 -1.376 1.00 0.00 C ATOM 439 C PHE A 29 -3.852 -3.840 -2.602 1.00 0.00 C ATOM 440 O PHE A 29 -2.677 -3.472 -2.599 1.00 0.00 O ATOM 441 CB PHE A 29 -5.511 -2.239 -1.553 1.00 0.00 C ATOM 442 CG PHE A 29 -4.662 -1.043 -1.961 1.00 0.00 C ATOM 443 CD1 PHE A 29 -4.270 -0.875 -3.310 1.00 0.00 C ATOM 444 CD2 PHE A 29 -4.288 -0.076 -1.001 1.00 0.00 C ATOM 445 CE1 PHE A 29 -3.567 0.282 -3.706 1.00 0.00 C ATOM 446 CE2 PHE A 29 -3.563 1.070 -1.393 1.00 0.00 C ATOM 447 CZ PHE A 29 -3.188 1.240 -2.741 1.00 0.00 C ATOM 0 H PHE A 29 -3.083 -3.057 -0.227 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.481 -4.382 -1.304 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.288 -2.381 -2.304 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.013 -2.001 -0.615 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.510 -1.635 -4.039 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.558 -0.214 0.036 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.319 0.435 -4.746 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.296 1.817 -0.660 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.610 2.104 -3.036 1.00 0.00 H new ATOM 457 N ALA A 30 -4.406 -4.507 -3.634 1.00 0.00 N ATOM 458 CA ALA A 30 -3.674 -5.183 -4.717 1.00 0.00 C ATOM 459 C ALA A 30 -4.226 -4.795 -6.106 1.00 0.00 C ATOM 460 O ALA A 30 -5.314 -5.241 -6.484 1.00 0.00 O ATOM 461 CB ALA A 30 -3.749 -6.706 -4.517 1.00 0.00 C ATOM 0 H ALA A 30 -5.417 -4.591 -3.737 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.633 -4.861 -4.678 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.207 -7.206 -5.320 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.302 -6.970 -3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.792 -7.024 -4.531 1.00 0.00 H new ATOM 467 N VAL A 31 -3.472 -3.987 -6.876 1.00 0.00 N ATOM 468 CA VAL A 31 -3.845 -3.485 -8.207 1.00 0.00 C ATOM 469 C VAL A 31 -3.299 -4.427 -9.303 1.00 0.00 C ATOM 470 O VAL A 31 -2.144 -4.302 -9.712 1.00 0.00 O ATOM 471 CB VAL A 31 -3.320 -2.037 -8.397 1.00 0.00 C ATOM 472 CG1 VAL A 31 -3.676 -1.472 -9.785 1.00 0.00 C ATOM 473 CG2 VAL A 31 -3.874 -1.067 -7.339 1.00 0.00 C ATOM 0 H VAL A 31 -2.555 -3.656 -6.575 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.932 -3.464 -8.291 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.238 -2.112 -8.291 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.289 -0.457 -9.875 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.232 -2.099 -10.558 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.759 -1.460 -9.906 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.476 -0.068 -7.517 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.962 -1.041 -7.403 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.577 -1.404 -6.346 1.00 0.00 H new ATOM 483 N ARG A 32 -4.143 -5.359 -9.788 1.00 0.00 N ATOM 484 CA ARG A 32 -3.780 -6.465 -10.685 1.00 0.00 C ATOM 485 C ARG A 32 -2.914 -5.970 -11.864 1.00 0.00 C ATOM 486 O ARG A 32 -2.107 -6.731 -12.401 1.00 0.00 O ATOM 487 CB ARG A 32 -5.066 -7.155 -11.185 1.00 0.00 C ATOM 488 CG ARG A 32 -5.172 -8.616 -10.719 1.00 0.00 C ATOM 489 CD ARG A 32 -6.340 -8.820 -9.744 1.00 0.00 C ATOM 490 NE ARG A 32 -7.549 -9.260 -10.457 1.00 0.00 N ATOM 491 CZ ARG A 32 -8.816 -9.126 -10.021 1.00 0.00 C ATOM 492 NH1 ARG A 32 -9.092 -8.538 -8.846 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.823 -9.590 -10.774 1.00 0.00 N ATOM 0 H ARG A 32 -5.136 -5.358 -9.554 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.179 -7.188 -10.134 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.934 -6.600 -10.829 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.092 -7.122 -12.274 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.304 -9.265 -11.585 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.240 -8.912 -10.237 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.066 -9.561 -8.993 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.544 -7.889 -9.215 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.416 -9.707 -11.364 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.334 -8.182 -8.264 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.059 -8.447 -8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.626 -10.040 -11.668 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.786 -9.494 -10.453 1.00 0.00 H new ATOM 507 N THR A 33 -3.098 -4.701 -12.276 1.00 0.00 N ATOM 508 CA THR A 33 -2.625 -4.138 -13.549 1.00 0.00 C ATOM 509 C THR A 33 -1.102 -3.890 -13.507 1.00 0.00 C ATOM 510 O THR A 33 -0.424 -4.029 -14.528 1.00 0.00 O ATOM 511 CB THR A 33 -3.400 -2.836 -13.868 1.00 0.00 C ATOM 512 OG1 THR A 33 -3.312 -2.538 -15.249 1.00 0.00 O ATOM 513 CG2 THR A 33 -2.879 -1.617 -13.087 1.00 0.00 C ATOM 0 H THR A 33 -3.599 -4.017 -11.708 1.00 0.00 H new ATOM 0 HA THR A 33 -2.816 -4.856 -14.347 1.00 0.00 H new ATOM 0 HB THR A 33 -4.431 -3.021 -13.568 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.807 -1.714 -15.438 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.463 -0.737 -13.355 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.973 -1.803 -12.017 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.831 -1.447 -13.335 1.00 0.00 H new ATOM 521 N THR A 34 -0.567 -3.512 -12.330 1.00 0.00 N ATOM 522 CA THR A 34 0.869 -3.478 -12.015 1.00 0.00 C ATOM 523 C THR A 34 1.293 -4.720 -11.200 1.00 0.00 C ATOM 524 O THR A 34 2.483 -4.905 -10.930 1.00 0.00 O ATOM 525 CB THR A 34 1.208 -2.169 -11.258 1.00 0.00 C ATOM 526 OG1 THR A 34 2.599 -2.094 -11.005 1.00 0.00 O ATOM 527 CG2 THR A 34 0.475 -2.043 -9.912 1.00 0.00 C ATOM 0 H THR A 34 -1.146 -3.212 -11.546 1.00 0.00 H new ATOM 0 HA THR A 34 1.432 -3.499 -12.948 1.00 0.00 H new ATOM 0 HB THR A 34 0.879 -1.356 -11.906 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.908 -1.174 -11.144 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.755 -1.105 -9.432 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.602 -2.057 -10.081 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.751 -2.878 -9.268 1.00 0.00 H new ATOM 535 N GLY A 35 0.321 -5.556 -10.802 1.00 0.00 N ATOM 536 CA GLY A 35 0.489 -6.741 -9.907 1.00 0.00 C ATOM 537 C GLY A 35 1.399 -6.347 -8.725 1.00 0.00 C ATOM 538 O GLY A 35 2.194 -7.136 -8.218 1.00 0.00 O ATOM 0 H GLY A 35 -0.647 -5.431 -11.100 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.481 -7.078 -9.541 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.927 -7.572 -10.460 1.00 0.00 H new ATOM 542 N ILE A 36 1.266 -5.059 -8.304 1.00 0.00 N ATOM 543 CA ILE A 36 1.810 -4.498 -7.062 1.00 0.00 C ATOM 544 C ILE A 36 0.739 -4.556 -5.949 1.00 0.00 C ATOM 545 O ILE A 36 -0.457 -4.616 -6.241 1.00 0.00 O ATOM 546 CB ILE A 36 2.299 -3.041 -7.293 1.00 0.00 C ATOM 547 CG1 ILE A 36 3.543 -2.971 -8.212 1.00 0.00 C ATOM 548 CG2 ILE A 36 2.606 -2.347 -5.950 1.00 0.00 C ATOM 549 CD1 ILE A 36 4.069 -1.546 -8.435 1.00 0.00 C ATOM 0 H ILE A 36 0.755 -4.366 -8.851 1.00 0.00 H new ATOM 0 HA ILE A 36 2.668 -5.091 -6.747 1.00 0.00 H new ATOM 0 HB ILE A 36 1.486 -2.518 -7.796 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.338 -3.578 -7.779 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.295 -3.412 -9.177 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.947 -1.328 -6.136 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.704 -2.322 -5.339 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.385 -2.900 -5.425 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.941 -1.578 -9.089 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.291 -0.939 -8.898 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.350 -1.108 -7.477 1.00 0.00 H new ATOM 561 N PHE A 37 1.174 -4.518 -4.674 1.00 0.00 N ATOM 562 CA PHE A 37 0.325 -4.327 -3.489 1.00 0.00 C ATOM 563 C PHE A 37 0.861 -3.178 -2.604 1.00 0.00 C ATOM 564 O PHE A 37 2.023 -2.784 -2.716 1.00 0.00 O ATOM 565 CB PHE A 37 0.237 -5.639 -2.681 1.00 0.00 C ATOM 566 CG PHE A 37 1.550 -6.158 -2.110 1.00 0.00 C ATOM 567 CD1 PHE A 37 2.049 -5.640 -0.893 1.00 0.00 C ATOM 568 CD2 PHE A 37 2.265 -7.182 -2.776 1.00 0.00 C ATOM 569 CE1 PHE A 37 3.217 -6.185 -0.316 1.00 0.00 C ATOM 570 CE2 PHE A 37 3.442 -7.713 -2.208 1.00 0.00 C ATOM 571 CZ PHE A 37 3.922 -7.210 -0.980 1.00 0.00 C ATOM 0 H PHE A 37 2.160 -4.623 -4.436 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.676 -4.054 -3.824 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.461 -5.490 -1.857 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.188 -6.411 -3.323 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.536 -4.826 -0.403 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.908 -7.558 -3.723 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.571 -5.816 0.635 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.976 -8.505 -2.713 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.828 -7.610 -0.549 1.00 0.00 H new ATOM 581 N CYS A 38 -0.010 -2.625 -1.738 1.00 0.00 N ATOM 582 CA CYS A 38 0.125 -1.339 -1.042 1.00 0.00 C ATOM 583 C CYS A 38 -0.478 -1.427 0.382 1.00 0.00 C ATOM 584 O CYS A 38 -1.056 -2.447 0.759 1.00 0.00 O ATOM 585 CB CYS A 38 -0.560 -0.231 -1.869 1.00 0.00 C ATOM 586 SG CYS A 38 0.390 0.218 -3.352 1.00 0.00 S ATOM 0 H CYS A 38 -0.880 -3.097 -1.493 1.00 0.00 H new ATOM 0 HA CYS A 38 1.182 -1.094 -0.939 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -1.554 -0.565 -2.166 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -0.694 0.653 -1.246 1.00 0.00 H new ATOM 591 N ARG A 39 -0.366 -0.324 1.145 1.00 0.00 N ATOM 592 CA ARG A 39 -1.167 0.003 2.333 1.00 0.00 C ATOM 593 C ARG A 39 -2.279 1.013 1.948 1.00 0.00 C ATOM 594 O ARG A 39 -2.116 1.711 0.939 1.00 0.00 O ATOM 595 CB ARG A 39 -0.233 0.595 3.416 1.00 0.00 C ATOM 596 CG ARG A 39 -0.296 -0.163 4.748 1.00 0.00 C ATOM 597 CD ARG A 39 0.783 -1.235 4.914 1.00 0.00 C ATOM 598 NE ARG A 39 2.023 -0.623 5.416 1.00 0.00 N ATOM 599 CZ ARG A 39 3.028 -1.258 6.046 1.00 0.00 C ATOM 600 NH1 ARG A 39 2.978 -2.578 6.285 1.00 0.00 N ATOM 601 NH2 ARG A 39 4.098 -0.551 6.439 1.00 0.00 N ATOM 0 H ARG A 39 0.322 0.399 0.936 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.644 -0.894 2.728 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.793 0.584 3.047 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.500 1.638 3.586 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.209 0.553 5.565 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.275 -0.633 4.839 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.440 -2.004 5.606 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.970 -1.726 3.959 1.00 0.00 H new ATOM 0 HE ARG A 39 2.131 0.381 5.272 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.167 -3.120 5.987 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.751 -3.039 6.764 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.141 0.452 6.259 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.869 -1.016 6.918 1.00 0.00 H new ATOM 615 N PRO A 40 -3.384 1.154 2.716 1.00 0.00 N ATOM 616 CA PRO A 40 -4.514 2.044 2.394 1.00 0.00 C ATOM 617 C PRO A 40 -4.112 3.461 1.922 1.00 0.00 C ATOM 618 O PRO A 40 -4.874 4.123 1.218 1.00 0.00 O ATOM 619 CB PRO A 40 -5.383 2.097 3.667 1.00 0.00 C ATOM 620 CG PRO A 40 -4.483 1.544 4.771 1.00 0.00 C ATOM 621 CD PRO A 40 -3.636 0.525 4.007 1.00 0.00 C ATOM 0 HA PRO A 40 -5.052 1.641 1.536 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.701 3.116 3.888 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.287 1.498 3.555 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.872 2.322 5.228 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.058 1.079 5.572 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.705 0.309 4.532 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.163 -0.422 3.891 1.00 0.00 H new ATOM 629 N SER A 41 -2.922 3.923 2.347 1.00 0.00 N ATOM 630 CA SER A 41 -2.497 5.329 2.375 1.00 0.00 C ATOM 631 C SER A 41 -1.791 5.764 1.076 1.00 0.00 C ATOM 632 O SER A 41 -1.045 6.758 1.090 1.00 0.00 O ATOM 633 CB SER A 41 -1.577 5.559 3.597 1.00 0.00 C ATOM 634 OG SER A 41 -1.404 6.937 3.857 1.00 0.00 O ATOM 0 H SER A 41 -2.199 3.294 2.696 1.00 0.00 H new ATOM 0 HA SER A 41 -3.392 5.946 2.459 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.005 5.072 4.474 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.607 5.096 3.417 1.00 0.00 H new ATOM 0 HG SER A 41 -1.214 7.407 3.018 1.00 0.00 H new ATOM 640 N CYS A 42 -1.967 5.039 -0.051 1.00 0.00 N ATOM 641 CA CYS A 42 -1.069 5.120 -1.221 1.00 0.00 C ATOM 642 C CYS A 42 -1.128 6.525 -1.860 1.00 0.00 C ATOM 643 O CYS A 42 -1.951 6.775 -2.742 1.00 0.00 O ATOM 644 CB CYS A 42 -1.414 4.012 -2.237 1.00 0.00 C ATOM 645 SG CYS A 42 -0.073 3.739 -3.446 1.00 0.00 S ATOM 0 H CYS A 42 -2.737 4.381 -0.174 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.043 4.959 -0.890 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.614 3.083 -1.704 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.329 4.279 -2.766 1.00 0.00 H new ATOM 650 N ARG A 43 -0.241 7.438 -1.419 1.00 0.00 N ATOM 651 CA ARG A 43 -0.295 8.887 -1.667 1.00 0.00 C ATOM 652 C ARG A 43 -0.611 9.192 -3.147 1.00 0.00 C ATOM 653 O ARG A 43 -1.446 10.052 -3.437 1.00 0.00 O ATOM 654 CB ARG A 43 1.039 9.529 -1.229 1.00 0.00 C ATOM 655 CG ARG A 43 1.919 9.940 -2.421 1.00 0.00 C ATOM 656 CD ARG A 43 1.992 11.465 -2.582 1.00 0.00 C ATOM 657 NE ARG A 43 2.691 12.082 -1.444 1.00 0.00 N ATOM 658 CZ ARG A 43 4.021 12.081 -1.238 1.00 0.00 C ATOM 659 NH1 ARG A 43 4.860 11.471 -2.090 1.00 0.00 N ATOM 660 NH2 ARG A 43 4.520 12.703 -0.160 1.00 0.00 N ATOM 0 H ARG A 43 0.567 7.171 -0.856 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.104 9.319 -1.078 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.831 10.406 -0.616 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.588 8.826 -0.603 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.924 9.541 -2.284 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.522 9.497 -3.335 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.510 11.712 -3.509 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.985 11.875 -2.660 1.00 0.00 H new ATOM 0 HE ARG A 43 2.115 12.554 -0.747 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.493 10.995 -2.914 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.864 11.483 -1.913 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.893 13.171 0.495 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.526 12.708 0.005 1.00 0.00 H new ATOM 674 N ALA A 44 0.068 8.500 -4.083 1.00 0.00 N ATOM 675 CA ALA A 44 -0.160 8.578 -5.533 1.00 0.00 C ATOM 676 C ALA A 44 -1.655 8.398 -5.874 1.00 0.00 C ATOM 677 O ALA A 44 -2.321 7.531 -5.303 1.00 0.00 O ATOM 678 CB ALA A 44 0.689 7.515 -6.249 1.00 0.00 C ATOM 0 H ALA A 44 0.815 7.850 -3.838 1.00 0.00 H new ATOM 0 HA ALA A 44 0.140 9.568 -5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.517 7.576 -7.324 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.744 7.690 -6.039 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.408 6.524 -5.892 1.00 0.00 H new ATOM 684 N ARG A 45 -2.179 9.205 -6.817 1.00 0.00 N ATOM 685 CA ARG A 45 -3.480 9.010 -7.474 1.00 0.00 C ATOM 686 C ARG A 45 -3.721 7.516 -7.782 1.00 0.00 C ATOM 687 O ARG A 45 -3.153 6.978 -8.733 1.00 0.00 O ATOM 688 CB ARG A 45 -3.546 9.874 -8.751 1.00 0.00 C ATOM 689 CG ARG A 45 -3.828 11.356 -8.452 1.00 0.00 C ATOM 690 CD ARG A 45 -3.010 12.289 -9.356 1.00 0.00 C ATOM 691 NE ARG A 45 -3.789 12.693 -10.536 1.00 0.00 N ATOM 692 CZ ARG A 45 -3.301 12.884 -11.776 1.00 0.00 C ATOM 693 NH1 ARG A 45 -1.997 12.719 -12.048 1.00 0.00 N ATOM 694 NH2 ARG A 45 -4.135 13.248 -12.762 1.00 0.00 N ATOM 0 H ARG A 45 -1.691 10.036 -7.151 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.276 9.329 -6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.603 9.790 -9.291 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.325 9.486 -9.407 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.890 11.558 -8.589 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.595 11.566 -7.408 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.708 13.173 -8.795 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.097 11.786 -9.673 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.789 12.842 -10.403 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.352 12.443 -11.307 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.651 12.870 -12.996 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.128 13.377 -12.568 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.776 13.395 -13.705 1.00 0.00 H new ATOM 708 N HIS A 46 -4.548 6.841 -6.951 1.00 0.00 N ATOM 709 CA HIS A 46 -4.615 5.374 -6.857 1.00 0.00 C ATOM 710 C HIS A 46 -5.114 4.759 -8.187 1.00 0.00 C ATOM 711 O HIS A 46 -5.776 5.438 -8.972 1.00 0.00 O ATOM 712 CB HIS A 46 -5.496 4.906 -5.673 1.00 0.00 C ATOM 713 CG HIS A 46 -5.876 5.943 -4.646 1.00 0.00 C ATOM 714 ND1 HIS A 46 -7.181 6.436 -4.558 1.00 0.00 N ATOM 715 CD2 HIS A 46 -5.113 6.539 -3.676 1.00 0.00 C ATOM 716 CE1 HIS A 46 -7.153 7.296 -3.536 1.00 0.00 C ATOM 717 NE2 HIS A 46 -5.937 7.394 -2.974 1.00 0.00 N ATOM 0 H HIS A 46 -5.195 7.312 -6.319 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.602 5.018 -6.667 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.414 4.482 -6.081 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.973 4.099 -5.161 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.062 6.371 -3.495 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.015 7.852 -3.198 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.675 7.984 -2.184 1.00 0.00 H new ATOM 725 N ALA A 47 -4.815 3.465 -8.408 1.00 0.00 N ATOM 726 CA ALA A 47 -5.499 2.586 -9.369 1.00 0.00 C ATOM 727 C ALA A 47 -6.885 2.164 -8.828 1.00 0.00 C ATOM 728 O ALA A 47 -6.980 1.678 -7.699 1.00 0.00 O ATOM 729 CB ALA A 47 -4.630 1.354 -9.667 1.00 0.00 C ATOM 0 H ALA A 47 -4.066 2.989 -7.905 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.653 3.134 -10.299 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.145 0.709 -10.379 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.678 1.674 -10.090 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.450 0.804 -8.744 1.00 0.00 H new ATOM 735 N LEU A 48 -7.949 2.386 -9.622 1.00 0.00 N ATOM 736 CA LEU A 48 -9.351 2.433 -9.182 1.00 0.00 C ATOM 737 C LEU A 48 -9.707 1.208 -8.308 1.00 0.00 C ATOM 738 O LEU A 48 -9.069 0.160 -8.403 1.00 0.00 O ATOM 739 CB LEU A 48 -10.286 2.488 -10.409 1.00 0.00 C ATOM 740 CG LEU A 48 -10.726 3.902 -10.846 1.00 0.00 C ATOM 741 CD1 LEU A 48 -11.082 3.883 -12.341 1.00 0.00 C ATOM 742 CD2 LEU A 48 -11.940 4.406 -10.048 1.00 0.00 C ATOM 0 H LEU A 48 -7.849 2.543 -10.625 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.485 3.331 -8.579 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.784 2.007 -11.248 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.178 1.900 -10.191 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.895 4.580 -10.653 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.393 4.880 -12.654 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.210 3.577 -12.919 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.896 3.178 -12.512 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.212 5.404 -10.391 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -12.781 3.729 -10.198 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.689 4.443 -8.988 1.00 0.00 H new ATOM 754 N ARG A 49 -10.753 1.347 -7.471 1.00 0.00 N ATOM 755 CA ARG A 49 -11.500 0.268 -6.809 1.00 0.00 C ATOM 756 C ARG A 49 -11.591 -0.994 -7.695 1.00 0.00 C ATOM 757 O ARG A 49 -11.534 -2.119 -7.198 1.00 0.00 O ATOM 758 CB ARG A 49 -12.909 0.794 -6.449 1.00 0.00 C ATOM 759 CG ARG A 49 -13.911 -0.338 -6.176 1.00 0.00 C ATOM 760 CD ARG A 49 -13.441 -1.244 -5.030 1.00 0.00 C ATOM 761 NE ARG A 49 -14.535 -1.485 -4.077 1.00 0.00 N ATOM 762 CZ ARG A 49 -15.338 -0.547 -3.542 1.00 0.00 C ATOM 763 NH1 ARG A 49 -15.106 0.762 -3.725 1.00 0.00 N ATOM 764 NH2 ARG A 49 -16.397 -0.929 -2.813 1.00 0.00 N ATOM 0 H ARG A 49 -11.117 2.268 -7.227 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.971 -0.027 -5.903 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.840 1.433 -5.569 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.281 1.414 -7.265 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -14.883 0.088 -5.929 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.044 -0.933 -7.080 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.086 -2.193 -5.432 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.599 -0.781 -4.515 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.700 -2.451 -3.796 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.306 1.065 -4.280 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.730 1.454 -3.309 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.586 -1.921 -2.669 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -17.013 -0.228 -2.402 1.00 0.00 H new ATOM 778 N GLU A 50 -11.770 -0.785 -9.020 1.00 0.00 N ATOM 779 CA GLU A 50 -12.262 -1.765 -9.990 1.00 0.00 C ATOM 780 C GLU A 50 -11.193 -2.808 -10.354 1.00 0.00 C ATOM 781 O GLU A 50 -11.509 -3.913 -10.797 1.00 0.00 O ATOM 782 CB GLU A 50 -12.743 -1.020 -11.249 1.00 0.00 C ATOM 783 CG GLU A 50 -13.443 -1.963 -12.235 1.00 0.00 C ATOM 784 CD GLU A 50 -14.908 -1.599 -12.525 1.00 0.00 C ATOM 785 OE1 GLU A 50 -15.139 -0.659 -13.319 1.00 0.00 O ATOM 786 OE2 GLU A 50 -15.777 -2.279 -11.936 1.00 0.00 O ATOM 0 H GLU A 50 -11.563 0.116 -9.452 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.090 -2.312 -9.539 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.428 -0.222 -10.960 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.892 -0.548 -11.739 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.889 -1.965 -13.173 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.404 -2.978 -11.839 1.00 0.00 H new ATOM 793 N ASN A 51 -9.905 -2.453 -10.146 1.00 0.00 N ATOM 794 CA ASN A 51 -8.720 -3.295 -10.353 1.00 0.00 C ATOM 795 C ASN A 51 -8.096 -3.731 -9.007 1.00 0.00 C ATOM 796 O ASN A 51 -7.178 -4.558 -8.995 1.00 0.00 O ATOM 797 CB ASN A 51 -7.678 -2.527 -11.192 1.00 0.00 C ATOM 798 CG ASN A 51 -8.121 -2.269 -12.643 1.00 0.00 C ATOM 799 OD1 ASN A 51 -8.719 -3.123 -13.292 1.00 0.00 O ATOM 800 ND2 ASN A 51 -7.825 -1.060 -13.139 1.00 0.00 N ATOM 0 H ASN A 51 -9.659 -1.521 -9.812 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.030 -4.194 -10.886 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.469 -1.572 -10.710 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.745 -3.091 -11.201 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.098 -0.819 -14.092 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.327 -0.381 -12.564 1.00 0.00 H new ATOM 807 N VAL A 52 -8.590 -3.188 -7.878 1.00 0.00 N ATOM 808 CA VAL A 52 -7.980 -3.276 -6.542 1.00 0.00 C ATOM 809 C VAL A 52 -8.783 -4.250 -5.654 1.00 0.00 C ATOM 810 O VAL A 52 -10.014 -4.213 -5.646 1.00 0.00 O ATOM 811 CB VAL A 52 -7.904 -1.865 -5.899 1.00 0.00 C ATOM 812 CG1 VAL A 52 -8.730 -1.778 -4.602 1.00 0.00 C ATOM 813 CG2 VAL A 52 -6.461 -1.446 -5.565 1.00 0.00 C ATOM 0 H VAL A 52 -9.460 -2.655 -7.874 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.965 -3.663 -6.635 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.314 -1.190 -6.650 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.649 -0.774 -4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.775 -1.997 -4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.351 -2.502 -3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.465 -0.452 -5.118 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.029 -2.158 -4.862 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.866 -1.431 -6.478 1.00 0.00 H new ATOM 823 N SER A 53 -8.080 -5.127 -4.909 1.00 0.00 N ATOM 824 CA SER A 53 -8.641 -6.035 -3.900 1.00 0.00 C ATOM 825 C SER A 53 -7.734 -6.139 -2.653 1.00 0.00 C ATOM 826 O SER A 53 -6.542 -5.842 -2.721 1.00 0.00 O ATOM 827 CB SER A 53 -8.880 -7.425 -4.521 1.00 0.00 C ATOM 828 OG SER A 53 -7.746 -8.259 -4.376 1.00 0.00 O ATOM 0 H SER A 53 -7.069 -5.222 -5.001 1.00 0.00 H new ATOM 0 HA SER A 53 -9.594 -5.624 -3.568 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.741 -7.894 -4.045 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.120 -7.316 -5.579 1.00 0.00 H new ATOM 0 HG SER A 53 -7.930 -9.134 -4.778 1.00 0.00 H new ATOM 834 N PHE A 54 -8.332 -6.540 -1.509 1.00 0.00 N ATOM 835 CA PHE A 54 -7.802 -6.342 -0.151 1.00 0.00 C ATOM 836 C PHE A 54 -7.429 -7.674 0.544 1.00 0.00 C ATOM 837 O PHE A 54 -8.148 -8.670 0.465 1.00 0.00 O ATOM 838 CB PHE A 54 -8.837 -5.581 0.704 1.00 0.00 C ATOM 839 CG PHE A 54 -9.374 -4.303 0.074 1.00 0.00 C ATOM 840 CD1 PHE A 54 -10.123 -4.366 -1.126 1.00 0.00 C ATOM 841 CD2 PHE A 54 -9.100 -3.047 0.661 1.00 0.00 C ATOM 842 CE1 PHE A 54 -10.513 -3.180 -1.781 1.00 0.00 C ATOM 843 CE2 PHE A 54 -9.479 -1.859 -0.002 1.00 0.00 C ATOM 844 CZ PHE A 54 -10.204 -1.926 -1.210 1.00 0.00 C ATOM 0 H PHE A 54 -9.228 -7.027 -1.511 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.885 -5.760 -0.244 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -9.675 -6.246 0.911 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -8.382 -5.333 1.663 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -10.396 -5.325 -1.541 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.600 -2.996 1.617 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -11.047 -3.230 -2.718 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -9.214 -0.899 0.416 1.00 0.00 H new ATOM 0 HZ PHE A 54 -10.523 -1.017 -1.699 1.00 0.00 H new ATOM 854 N TYR A 55 -6.285 -7.669 1.253 1.00 0.00 N ATOM 855 CA TYR A 55 -5.750 -8.698 2.152 1.00 0.00 C ATOM 856 C TYR A 55 -5.720 -8.205 3.618 1.00 0.00 C ATOM 857 O TYR A 55 -6.086 -7.071 3.918 1.00 0.00 O ATOM 858 CB TYR A 55 -4.316 -9.068 1.707 1.00 0.00 C ATOM 859 CG TYR A 55 -4.141 -9.217 0.200 1.00 0.00 C ATOM 860 CD1 TYR A 55 -4.156 -8.093 -0.654 1.00 0.00 C ATOM 861 CD2 TYR A 55 -3.997 -10.513 -0.357 1.00 0.00 C ATOM 862 CE1 TYR A 55 -4.085 -8.260 -2.052 1.00 0.00 C ATOM 863 CE2 TYR A 55 -3.943 -10.681 -1.756 1.00 0.00 C ATOM 864 CZ TYR A 55 -3.989 -9.556 -2.606 1.00 0.00 C ATOM 865 OH TYR A 55 -3.939 -9.722 -3.961 1.00 0.00 O ATOM 0 H TYR A 55 -5.656 -6.868 1.203 1.00 0.00 H new ATOM 0 HA TYR A 55 -6.401 -9.571 2.099 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.629 -8.302 2.066 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.030 -10.004 2.188 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.222 -7.100 -0.234 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.929 -11.374 0.292 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.104 -7.396 -2.700 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.866 -11.672 -2.177 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.478 -10.500 -4.215 1.00 0.00 H new ATOM 875 N ALA A 56 -5.239 -9.093 4.523 1.00 0.00 N ATOM 876 CA ALA A 56 -4.769 -8.765 5.874 1.00 0.00 C ATOM 877 C ALA A 56 -3.357 -8.139 5.849 1.00 0.00 C ATOM 878 O ALA A 56 -3.125 -7.115 6.500 1.00 0.00 O ATOM 879 CB ALA A 56 -4.781 -10.028 6.749 1.00 0.00 C ATOM 0 H ALA A 56 -5.169 -10.089 4.316 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.447 -8.025 6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.431 -9.780 7.751 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.796 -10.422 6.806 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.124 -10.780 6.312 1.00 0.00 H new ATOM 885 N ASN A 57 -2.405 -8.754 5.118 1.00 0.00 N ATOM 886 CA ASN A 57 -0.992 -8.352 5.056 1.00 0.00 C ATOM 887 C ASN A 57 -0.376 -8.639 3.666 1.00 0.00 C ATOM 888 O ASN A 57 -1.046 -9.159 2.773 1.00 0.00 O ATOM 889 CB ASN A 57 -0.187 -9.095 6.144 1.00 0.00 C ATOM 890 CG ASN A 57 -0.072 -10.603 5.890 1.00 0.00 C ATOM 891 OD1 ASN A 57 0.891 -11.065 5.281 1.00 0.00 O ATOM 892 ND2 ASN A 57 -1.053 -11.378 6.360 1.00 0.00 N ATOM 0 H ASN A 57 -2.608 -9.568 4.538 1.00 0.00 H new ATOM 0 HA ASN A 57 -0.945 -7.277 5.229 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.813 -8.666 6.202 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.661 -8.932 7.112 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.018 -12.387 6.218 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.837 -10.960 6.861 1.00 0.00 H new ATOM 899 N ALA A 58 0.916 -8.278 3.501 1.00 0.00 N ATOM 900 CA ALA A 58 1.647 -8.222 2.229 1.00 0.00 C ATOM 901 C ALA A 58 2.171 -9.613 1.809 1.00 0.00 C ATOM 902 O ALA A 58 2.541 -9.807 0.649 1.00 0.00 O ATOM 903 CB ALA A 58 2.812 -7.224 2.347 1.00 0.00 C ATOM 0 H ALA A 58 1.499 -8.006 4.292 1.00 0.00 H new ATOM 0 HA ALA A 58 0.957 -7.887 1.455 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.354 -7.184 1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.421 -6.234 2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.488 -7.546 3.139 1.00 0.00 H new ATOM 909 N SER A 59 2.220 -10.572 2.753 1.00 0.00 N ATOM 910 CA SER A 59 2.511 -11.996 2.522 1.00 0.00 C ATOM 911 C SER A 59 1.347 -12.720 1.812 1.00 0.00 C ATOM 912 O SER A 59 1.578 -13.638 1.023 1.00 0.00 O ATOM 913 CB SER A 59 2.862 -12.686 3.855 1.00 0.00 C ATOM 914 OG SER A 59 3.632 -13.854 3.655 1.00 0.00 O ATOM 0 H SER A 59 2.051 -10.365 3.737 1.00 0.00 H new ATOM 0 HA SER A 59 3.371 -12.057 1.855 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.413 -11.992 4.490 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.944 -12.942 4.384 1.00 0.00 H new ATOM 0 HG SER A 59 3.837 -14.263 4.522 1.00 0.00 H new ATOM 920 N GLU A 60 0.101 -12.292 2.081 1.00 0.00 N ATOM 921 CA GLU A 60 -1.113 -12.628 1.317 1.00 0.00 C ATOM 922 C GLU A 60 -1.000 -12.076 -0.122 1.00 0.00 C ATOM 923 O GLU A 60 -1.292 -12.761 -1.101 1.00 0.00 O ATOM 924 CB GLU A 60 -2.363 -12.067 2.030 1.00 0.00 C ATOM 925 CG GLU A 60 -3.550 -13.049 2.020 1.00 0.00 C ATOM 926 CD GLU A 60 -3.531 -14.052 0.861 1.00 0.00 C ATOM 927 OE1 GLU A 60 -3.987 -13.691 -0.247 1.00 0.00 O ATOM 928 OE2 GLU A 60 -3.056 -15.183 1.111 1.00 0.00 O ATOM 0 H GLU A 60 -0.096 -11.676 2.870 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.213 -13.712 1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.108 -11.823 3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.663 -11.137 1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.559 -13.599 2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.478 -12.478 1.976 1.00 0.00 H new ATOM 935 N ALA A 61 -0.539 -10.805 -0.229 1.00 0.00 N ATOM 936 CA ALA A 61 -0.306 -10.089 -1.489 1.00 0.00 C ATOM 937 C ALA A 61 0.874 -10.715 -2.269 1.00 0.00 C ATOM 938 O ALA A 61 0.859 -10.751 -3.500 1.00 0.00 O ATOM 939 CB ALA A 61 -0.041 -8.602 -1.205 1.00 0.00 C ATOM 0 H ALA A 61 -0.315 -10.240 0.590 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.199 -10.175 -2.109 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.131 -8.077 -2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.904 -8.169 -0.700 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.838 -8.504 -0.569 1.00 0.00 H new ATOM 945 N LEU A 62 1.880 -11.226 -1.534 1.00 0.00 N ATOM 946 CA LEU A 62 2.962 -12.098 -2.020 1.00 0.00 C ATOM 947 C LEU A 62 2.410 -13.489 -2.400 1.00 0.00 C ATOM 948 O LEU A 62 2.848 -14.096 -3.377 1.00 0.00 O ATOM 949 CB LEU A 62 4.046 -12.242 -0.931 1.00 0.00 C ATOM 950 CG LEU A 62 5.379 -11.511 -1.199 1.00 0.00 C ATOM 951 CD1 LEU A 62 6.226 -11.517 0.084 1.00 0.00 C ATOM 952 CD2 LEU A 62 6.186 -12.164 -2.333 1.00 0.00 C ATOM 0 H LEU A 62 1.963 -11.031 -0.536 1.00 0.00 H new ATOM 0 HA LEU A 62 3.401 -11.646 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.637 -11.876 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.258 -13.303 -0.796 1.00 0.00 H new ATOM 0 HG LEU A 62 5.139 -10.492 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.169 -11.002 -0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.684 -11.008 0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.427 -12.546 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.115 -11.613 -2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.415 -13.196 -2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.601 -12.146 -3.253 1.00 0.00 H new ATOM 964 N ALA A 63 1.424 -13.976 -1.616 1.00 0.00 N ATOM 965 CA ALA A 63 0.559 -15.122 -1.928 1.00 0.00 C ATOM 966 C ALA A 63 -0.235 -14.882 -3.230 1.00 0.00 C ATOM 967 O ALA A 63 -0.714 -15.832 -3.852 1.00 0.00 O ATOM 968 CB ALA A 63 -0.399 -15.392 -0.756 1.00 0.00 C ATOM 0 H ALA A 63 1.204 -13.560 -0.711 1.00 0.00 H new ATOM 0 HA ALA A 63 1.191 -15.997 -2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.036 -16.243 -0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.178 -15.612 0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.019 -14.512 -0.582 1.00 0.00 H new ATOM 974 N ALA A 64 -0.387 -13.604 -3.628 1.00 0.00 N ATOM 975 CA ALA A 64 -1.010 -13.173 -4.888 1.00 0.00 C ATOM 976 C ALA A 64 -0.009 -13.208 -6.062 1.00 0.00 C ATOM 977 O ALA A 64 -0.411 -13.216 -7.226 1.00 0.00 O ATOM 978 CB ALA A 64 -1.594 -11.761 -4.722 1.00 0.00 C ATOM 0 H ALA A 64 -0.068 -12.819 -3.060 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.812 -13.872 -5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.055 -11.445 -5.658 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.345 -11.769 -3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.797 -11.066 -4.458 1.00 0.00 H new ATOM 984 N GLY A 65 1.309 -13.247 -5.755 1.00 0.00 N ATOM 985 CA GLY A 65 2.394 -13.188 -6.746 1.00 0.00 C ATOM 986 C GLY A 65 3.113 -11.816 -6.793 1.00 0.00 C ATOM 987 O GLY A 65 4.166 -11.681 -7.417 1.00 0.00 O ATOM 0 H GLY A 65 1.647 -13.322 -4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.125 -13.965 -6.520 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.987 -13.410 -7.732 1.00 0.00 H new ATOM 991 N PHE A 66 2.497 -10.804 -6.151 1.00 0.00 N ATOM 992 CA PHE A 66 2.738 -9.371 -6.365 1.00 0.00 C ATOM 993 C PHE A 66 4.012 -8.896 -5.630 1.00 0.00 C ATOM 994 O PHE A 66 4.465 -9.536 -4.681 1.00 0.00 O ATOM 995 CB PHE A 66 1.517 -8.554 -5.894 1.00 0.00 C ATOM 996 CG PHE A 66 0.215 -8.803 -6.643 1.00 0.00 C ATOM 997 CD1 PHE A 66 0.209 -9.504 -7.872 1.00 0.00 C ATOM 998 CD2 PHE A 66 -1.007 -8.327 -6.109 1.00 0.00 C ATOM 999 CE1 PHE A 66 -1.012 -9.820 -8.504 1.00 0.00 C ATOM 1000 CE2 PHE A 66 -2.229 -8.647 -6.741 1.00 0.00 C ATOM 1001 CZ PHE A 66 -2.230 -9.371 -7.951 1.00 0.00 C ATOM 0 H PHE A 66 1.787 -10.975 -5.439 1.00 0.00 H new ATOM 0 HA PHE A 66 2.889 -9.211 -7.433 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.351 -8.764 -4.837 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.762 -7.495 -5.974 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.143 -9.798 -8.328 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.005 -7.718 -5.217 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.014 -10.406 -9.411 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.163 -8.337 -6.297 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.162 -9.582 -8.454 1.00 0.00 H new ATOM 1011 N ARG A 67 4.592 -7.770 -6.098 1.00 0.00 N ATOM 1012 CA ARG A 67 5.787 -7.114 -5.553 1.00 0.00 C ATOM 1013 C ARG A 67 5.414 -5.857 -4.724 1.00 0.00 C ATOM 1014 O ARG A 67 4.315 -5.328 -4.900 1.00 0.00 O ATOM 1015 CB ARG A 67 6.732 -6.732 -6.715 1.00 0.00 C ATOM 1016 CG ARG A 67 7.408 -7.954 -7.342 1.00 0.00 C ATOM 1017 CD ARG A 67 8.929 -7.821 -7.487 1.00 0.00 C ATOM 1018 NE ARG A 67 9.337 -8.300 -8.816 1.00 0.00 N ATOM 1019 CZ ARG A 67 9.796 -7.550 -9.831 1.00 0.00 C ATOM 1020 NH1 ARG A 67 9.925 -6.219 -9.713 1.00 0.00 N ATOM 1021 NH2 ARG A 67 10.129 -8.152 -10.981 1.00 0.00 N ATOM 0 H ARG A 67 4.216 -7.274 -6.906 1.00 0.00 H new ATOM 0 HA ARG A 67 6.292 -7.810 -4.883 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.166 -6.200 -7.480 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.495 -6.046 -6.348 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.187 -8.831 -6.733 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.974 -8.131 -8.326 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.228 -6.781 -7.355 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.431 -8.398 -6.710 1.00 0.00 H new ATOM 0 HE ARG A 67 9.264 -9.303 -8.984 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.672 -5.758 -8.839 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.276 -5.669 -10.497 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.032 -9.163 -11.074 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.479 -7.599 -11.763 1.00 0.00 H new ATOM 1035 N PRO A 68 6.280 -5.384 -3.797 1.00 0.00 N ATOM 1036 CA PRO A 68 6.027 -4.258 -2.882 1.00 0.00 C ATOM 1037 C PRO A 68 6.186 -2.853 -3.506 1.00 0.00 C ATOM 1038 O PRO A 68 7.285 -2.478 -3.917 1.00 0.00 O ATOM 1039 CB PRO A 68 6.989 -4.457 -1.697 1.00 0.00 C ATOM 1040 CG PRO A 68 7.728 -5.767 -1.970 1.00 0.00 C ATOM 1041 CD PRO A 68 7.600 -5.933 -3.479 1.00 0.00 C ATOM 0 HA PRO A 68 4.978 -4.276 -2.585 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.688 -3.624 -1.617 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.443 -4.506 -0.755 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.771 -5.713 -1.658 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.278 -6.602 -1.434 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.390 -5.398 -4.006 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.675 -6.980 -3.771 1.00 0.00 H new ATOM 1049 N CYS A 69 5.085 -2.081 -3.568 1.00 0.00 N ATOM 1050 CA CYS A 69 5.009 -0.681 -4.015 1.00 0.00 C ATOM 1051 C CYS A 69 6.178 0.147 -3.441 1.00 0.00 C ATOM 1052 O CYS A 69 6.654 -0.136 -2.338 1.00 0.00 O ATOM 1053 CB CYS A 69 3.624 -0.118 -3.617 1.00 0.00 C ATOM 1054 SG CYS A 69 3.458 1.674 -3.902 1.00 0.00 S ATOM 0 H CYS A 69 4.172 -2.441 -3.291 1.00 0.00 H new ATOM 0 HA CYS A 69 5.109 -0.622 -5.099 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.852 -0.641 -4.182 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.445 -0.328 -2.563 1.00 0.00 H new ATOM 1059 N LYS A 70 6.642 1.170 -4.184 1.00 0.00 N ATOM 1060 CA LYS A 70 7.844 1.966 -3.893 1.00 0.00 C ATOM 1061 C LYS A 70 7.505 3.136 -2.942 1.00 0.00 C ATOM 1062 O LYS A 70 8.282 4.084 -2.822 1.00 0.00 O ATOM 1063 CB LYS A 70 8.467 2.469 -5.213 1.00 0.00 C ATOM 1064 CG LYS A 70 9.951 2.848 -5.060 1.00 0.00 C ATOM 1065 CD LYS A 70 10.774 2.519 -6.313 1.00 0.00 C ATOM 1066 CE LYS A 70 12.273 2.635 -5.998 1.00 0.00 C ATOM 1067 NZ LYS A 70 12.994 3.409 -7.024 1.00 0.00 N ATOM 0 H LYS A 70 6.170 1.474 -5.035 1.00 0.00 H new ATOM 0 HA LYS A 70 8.577 1.339 -3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.370 1.695 -5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.909 3.336 -5.567 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.030 3.914 -4.847 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.371 2.320 -4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.542 1.511 -6.657 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.510 3.200 -7.122 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.404 3.111 -5.026 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.706 1.638 -5.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.002 3.463 -6.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.892 2.941 -7.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.598 4.369 -7.076 1.00 0.00 H new ATOM 1081 N ARG A 71 6.330 3.072 -2.288 1.00 0.00 N ATOM 1082 CA ARG A 71 5.656 4.174 -1.586 1.00 0.00 C ATOM 1083 C ARG A 71 5.132 3.717 -0.208 1.00 0.00 C ATOM 1084 O ARG A 71 5.397 4.358 0.809 1.00 0.00 O ATOM 1085 CB ARG A 71 4.508 4.693 -2.483 1.00 0.00 C ATOM 1086 CG ARG A 71 4.371 6.220 -2.467 1.00 0.00 C ATOM 1087 CD ARG A 71 4.146 6.789 -3.875 1.00 0.00 C ATOM 1088 NE ARG A 71 5.110 6.222 -4.830 1.00 0.00 N ATOM 1089 CZ ARG A 71 4.851 5.320 -5.793 1.00 0.00 C ATOM 1090 NH1 ARG A 71 3.607 4.866 -6.016 1.00 0.00 N ATOM 1091 NH2 ARG A 71 5.858 4.864 -6.553 1.00 0.00 N ATOM 0 H ARG A 71 5.799 2.203 -2.234 1.00 0.00 H new ATOM 0 HA ARG A 71 6.364 4.981 -1.399 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.678 4.361 -3.507 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.569 4.247 -2.155 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.538 6.503 -1.824 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.270 6.661 -2.037 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.130 6.568 -4.203 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.245 7.874 -3.853 1.00 0.00 H new ATOM 0 HE ARG A 71 6.074 6.546 -4.754 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.831 5.206 -5.448 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.438 4.182 -6.753 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.808 5.202 -6.397 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.674 4.180 -7.287 1.00 0.00 H new ATOM 1105 N CYS A 72 4.389 2.589 -0.183 1.00 0.00 N ATOM 1106 CA CYS A 72 3.699 2.042 0.993 1.00 0.00 C ATOM 1107 C CYS A 72 4.512 0.894 1.630 1.00 0.00 C ATOM 1108 O CYS A 72 4.750 0.895 2.838 1.00 0.00 O ATOM 1109 CB CYS A 72 2.280 1.588 0.594 1.00 0.00 C ATOM 1110 SG CYS A 72 1.498 2.768 -0.545 1.00 0.00 S ATOM 0 H CYS A 72 4.252 2.017 -1.016 1.00 0.00 H new ATOM 0 HA CYS A 72 3.610 2.821 1.750 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.330 0.606 0.124 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.666 1.483 1.488 1.00 0.00 H new ATOM 1115 N GLN A 73 4.919 -0.092 0.808 1.00 0.00 N ATOM 1116 CA GLN A 73 5.419 -1.406 1.238 1.00 0.00 C ATOM 1117 C GLN A 73 6.912 -1.308 1.645 1.00 0.00 C ATOM 1118 O GLN A 73 7.506 -0.242 1.466 1.00 0.00 O ATOM 1119 CB GLN A 73 5.222 -2.386 0.063 1.00 0.00 C ATOM 1120 CG GLN A 73 4.348 -3.617 0.364 1.00 0.00 C ATOM 1121 CD GLN A 73 3.334 -3.469 1.507 1.00 0.00 C ATOM 1122 OE1 GLN A 73 3.585 -3.958 2.606 1.00 0.00 O ATOM 1123 NE2 GLN A 73 2.195 -2.805 1.278 1.00 0.00 N ATOM 0 H GLN A 73 4.907 0.011 -0.207 1.00 0.00 H new ATOM 0 HA GLN A 73 4.873 -1.761 2.112 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.777 -1.842 -0.770 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.202 -2.730 -0.268 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.805 -3.881 -0.543 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.006 -4.455 0.596 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.012 -2.409 0.356 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.510 -2.695 2.025 1.00 0.00 H new ATOM 1132 N PRO A 74 7.528 -2.367 2.225 1.00 0.00 N ATOM 1133 CA PRO A 74 8.965 -2.420 2.545 1.00 0.00 C ATOM 1134 C PRO A 74 9.866 -2.142 1.320 1.00 0.00 C ATOM 1135 O PRO A 74 10.346 -3.077 0.678 1.00 0.00 O ATOM 1136 CB PRO A 74 9.217 -3.822 3.122 1.00 0.00 C ATOM 1137 CG PRO A 74 7.855 -4.221 3.683 1.00 0.00 C ATOM 1138 CD PRO A 74 6.886 -3.595 2.680 1.00 0.00 C ATOM 0 HA PRO A 74 9.222 -1.637 3.258 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.555 -4.518 2.354 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.983 -3.806 3.898 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.740 -5.304 3.737 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.702 -3.834 4.690 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.696 -4.270 1.845 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.923 -3.384 3.145 1.00 0.00 H new ATOM 1146 N ASP A 75 10.075 -0.852 0.995 1.00 0.00 N ATOM 1147 CA ASP A 75 10.695 -0.364 -0.246 1.00 0.00 C ATOM 1148 C ASP A 75 11.166 1.099 -0.094 1.00 0.00 C ATOM 1149 O ASP A 75 12.370 1.356 -0.023 1.00 0.00 O ATOM 1150 CB ASP A 75 9.694 -0.527 -1.412 1.00 0.00 C ATOM 1151 CG ASP A 75 10.374 -0.768 -2.765 1.00 0.00 C ATOM 1152 OD1 ASP A 75 11.625 -0.782 -2.785 1.00 0.00 O ATOM 1153 OD2 ASP A 75 9.632 -0.939 -3.757 1.00 0.00 O ATOM 0 H ASP A 75 9.804 -0.091 1.618 1.00 0.00 H new ATOM 0 HA ASP A 75 11.583 -0.957 -0.464 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.026 -1.361 -1.195 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.075 0.368 -1.478 1.00 0.00 H new ATOM 1158 N LYS A 76 10.219 2.056 -0.018 1.00 0.00 N ATOM 1159 CA LYS A 76 10.446 3.426 0.472 1.00 0.00 C ATOM 1160 C LYS A 76 9.945 3.563 1.926 1.00 0.00 C ATOM 1161 O LYS A 76 8.813 3.991 2.158 1.00 0.00 O ATOM 1162 CB LYS A 76 9.756 4.437 -0.471 1.00 0.00 C ATOM 1163 CG LYS A 76 9.973 5.901 -0.049 1.00 0.00 C ATOM 1164 CD LYS A 76 8.691 6.737 -0.191 1.00 0.00 C ATOM 1165 CE LYS A 76 8.973 8.214 0.126 1.00 0.00 C ATOM 1166 NZ LYS A 76 10.235 8.387 0.865 1.00 0.00 N ATOM 0 H LYS A 76 9.254 1.891 -0.303 1.00 0.00 H new ATOM 0 HA LYS A 76 11.514 3.642 0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.134 4.297 -1.484 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.687 4.228 -0.499 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.314 5.933 0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.762 6.341 -0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.300 6.645 -1.204 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.924 6.355 0.482 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.016 8.783 -0.803 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.150 8.623 0.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.330 9.379 1.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.233 7.773 1.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.035 8.132 0.251 1.00 0.00 H new ATOM 1180 N ALA A 77 10.803 3.207 2.904 1.00 0.00 N ATOM 1181 CA ALA A 77 10.653 3.507 4.334 1.00 0.00 C ATOM 1182 C ALA A 77 10.393 5.012 4.571 1.00 0.00 C ATOM 1183 O ALA A 77 10.393 5.800 3.624 1.00 0.00 O ATOM 1184 CB ALA A 77 11.908 3.052 5.097 1.00 0.00 C ATOM 0 H ALA A 77 11.654 2.681 2.705 1.00 0.00 H new ATOM 0 HA ALA A 77 9.787 2.960 4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.791 3.277 6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.044 1.978 4.967 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.780 3.578 4.709 1.00 0.00 H new ATOM 1190 N ASN A 78 10.154 5.395 5.841 1.00 0.00 N ATOM 1191 CA ASN A 78 10.065 6.780 6.323 1.00 0.00 C ATOM 1192 C ASN A 78 11.457 7.311 6.754 1.00 0.00 C ATOM 1193 O ASN A 78 11.755 7.305 7.950 1.00 0.00 O ATOM 1194 CB ASN A 78 9.085 6.856 7.513 1.00 0.00 C ATOM 1195 CG ASN A 78 7.699 7.383 7.125 1.00 0.00 C ATOM 1196 OD1 ASN A 78 7.277 7.252 5.978 1.00 0.00 O ATOM 1197 ND2 ASN A 78 6.986 7.985 8.080 1.00 0.00 N ATOM 0 H ASN A 78 10.012 4.715 6.588 1.00 0.00 H new ATOM 0 HA ASN A 78 9.699 7.404 5.507 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.979 5.864 7.951 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.509 7.501 8.283 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.059 8.354 7.868 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.368 8.076 9.021 1.00 0.00 H new ATOM 1204 N PRO A 79 12.337 7.733 5.814 1.00 0.00 N ATOM 1205 CA PRO A 79 13.756 8.030 6.074 1.00 0.00 C ATOM 1206 C PRO A 79 13.977 9.422 6.709 1.00 0.00 C ATOM 1207 O PRO A 79 15.119 9.866 6.834 1.00 0.00 O ATOM 1208 CB PRO A 79 14.431 7.935 4.695 1.00 0.00 C ATOM 1209 CG PRO A 79 13.341 8.437 3.748 1.00 0.00 C ATOM 1210 CD PRO A 79 12.061 7.907 4.392 1.00 0.00 C ATOM 0 HA PRO A 79 14.174 7.332 6.799 1.00 0.00 H new ATOM 0 HB2 PRO A 79 15.329 8.551 4.641 1.00 0.00 H new ATOM 0 HB3 PRO A 79 14.731 6.913 4.461 1.00 0.00 H new ATOM 0 HG2 PRO A 79 13.337 9.525 3.676 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.475 8.052 2.737 1.00 0.00 H new ATOM 0 HD2 PRO A 79 11.237 8.604 4.242 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.765 6.961 3.939 1.00 0.00 H new ATOM 1218 N ARG A 80 12.884 10.113 7.076 1.00 0.00 N ATOM 1219 CA ARG A 80 12.773 11.562 7.336 1.00 0.00 C ATOM 1220 C ARG A 80 14.121 12.205 7.727 1.00 0.00 C ATOM 1221 O ARG A 80 14.696 12.955 6.934 1.00 0.00 O ATOM 1222 CB ARG A 80 11.704 11.783 8.429 1.00 0.00 C ATOM 1223 CG ARG A 80 10.838 13.026 8.173 1.00 0.00 C ATOM 1224 CD ARG A 80 10.004 13.396 9.406 1.00 0.00 C ATOM 1225 NE ARG A 80 10.764 14.274 10.309 1.00 0.00 N ATOM 1226 CZ ARG A 80 10.582 14.386 11.637 1.00 0.00 C ATOM 1227 NH1 ARG A 80 9.721 13.593 12.294 1.00 0.00 N ATOM 1228 NH2 ARG A 80 11.272 15.311 12.319 1.00 0.00 N ATOM 0 H ARG A 80 11.990 9.641 7.209 1.00 0.00 H new ATOM 0 HA ARG A 80 12.472 12.058 6.413 1.00 0.00 H new ATOM 0 HB2 ARG A 80 11.062 10.904 8.486 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.196 11.882 9.397 1.00 0.00 H new ATOM 0 HG2 ARG A 80 11.477 13.866 7.900 1.00 0.00 H new ATOM 0 HG3 ARG A 80 10.176 12.841 7.327 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.087 13.895 9.093 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.709 12.490 9.936 1.00 0.00 H new ATOM 0 HE ARG A 80 11.495 14.850 9.890 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.188 12.887 11.786 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.600 13.696 13.301 1.00 0.00 H new ATOM 0 HH21 ARG A 80 11.927 15.921 11.831 1.00 0.00 H new ATOM 0 HH22 ARG A 80 11.142 15.405 13.326 1.00 0.00 H new ATOM 1242 N GLN A 81 14.630 11.888 8.930 1.00 0.00 N ATOM 1243 CA GLN A 81 15.999 12.156 9.415 1.00 0.00 C ATOM 1244 C GLN A 81 17.004 12.272 8.249 1.00 0.00 C ATOM 1245 O GLN A 81 17.240 13.367 7.736 1.00 0.00 O ATOM 1246 CB GLN A 81 16.408 11.042 10.404 1.00 0.00 C ATOM 1247 CG GLN A 81 15.642 9.723 10.180 1.00 0.00 C ATOM 1248 CD GLN A 81 15.111 9.066 11.461 1.00 0.00 C ATOM 1249 OE1 GLN A 81 13.975 9.324 11.856 1.00 0.00 O ATOM 1250 NE2 GLN A 81 15.910 8.227 12.127 1.00 0.00 N ATOM 0 H GLN A 81 14.066 11.410 9.632 1.00 0.00 H new ATOM 0 HA GLN A 81 16.012 13.117 9.930 1.00 0.00 H new ATOM 0 HB2 GLN A 81 17.478 10.855 10.309 1.00 0.00 H new ATOM 0 HB3 GLN A 81 16.234 11.387 11.423 1.00 0.00 H new ATOM 0 HG2 GLN A 81 14.803 9.915 9.511 1.00 0.00 H new ATOM 0 HG3 GLN A 81 16.300 9.018 9.672 1.00 0.00 H new ATOM 0 HE21 GLN A 81 16.848 8.030 11.777 1.00 0.00 H new ATOM 0 HE22 GLN A 81 15.582 7.783 12.985 1.00 0.00 H new ATOM 1259 N HIS A 82 17.568 11.129 7.814 1.00 0.00 N ATOM 1260 CA HIS A 82 18.223 10.923 6.514 1.00 0.00 C ATOM 1261 C HIS A 82 18.049 9.463 6.032 1.00 0.00 C ATOM 1262 O HIS A 82 17.506 9.234 4.951 1.00 0.00 O ATOM 1263 CB HIS A 82 19.718 11.319 6.580 1.00 0.00 C ATOM 1264 CG HIS A 82 19.983 12.737 6.133 1.00 0.00 C ATOM 1265 ND1 HIS A 82 19.498 13.215 4.913 1.00 0.00 N ATOM 1266 CD2 HIS A 82 20.689 13.735 6.751 1.00 0.00 C ATOM 1267 CE1 HIS A 82 19.937 14.475 4.843 1.00 0.00 C ATOM 1268 NE2 HIS A 82 20.656 14.835 5.918 1.00 0.00 N ATOM 0 H HIS A 82 17.578 10.286 8.389 1.00 0.00 H new ATOM 0 HA HIS A 82 17.739 11.572 5.784 1.00 0.00 H new ATOM 0 HB2 HIS A 82 20.074 11.196 7.603 1.00 0.00 H new ATOM 0 HB3 HIS A 82 20.295 10.636 5.957 1.00 0.00 H new ATOM 0 HD2 HIS A 82 21.180 13.673 7.711 1.00 0.00 H new ATOM 0 HE1 HIS A 82 19.735 15.133 4.011 1.00 0.00 H new ATOM 0 HE2 HIS A 82 21.092 15.742 6.086 1.00 0.00 H new ATOM 1276 N ARG A 83 18.496 8.495 6.855 1.00 0.00 N ATOM 1277 CA ARG A 83 18.573 7.058 6.556 1.00 0.00 C ATOM 1278 C ARG A 83 18.858 6.817 5.057 1.00 0.00 C ATOM 1279 O ARG A 83 17.927 6.673 4.264 1.00 0.00 O ATOM 1280 CB ARG A 83 17.262 6.374 6.998 1.00 0.00 C ATOM 1281 CG ARG A 83 17.469 5.408 8.175 1.00 0.00 C ATOM 1282 CD ARG A 83 18.269 4.168 7.753 1.00 0.00 C ATOM 1283 NE ARG A 83 18.946 3.561 8.909 1.00 0.00 N ATOM 1284 CZ ARG A 83 19.346 2.280 9.004 1.00 0.00 C ATOM 1285 NH1 ARG A 83 19.076 1.390 8.036 1.00 0.00 N ATOM 1286 NH2 ARG A 83 20.029 1.883 10.088 1.00 0.00 N ATOM 0 H ARG A 83 18.830 8.709 7.795 1.00 0.00 H new ATOM 0 HA ARG A 83 19.402 6.620 7.112 1.00 0.00 H new ATOM 0 HB2 ARG A 83 16.536 7.136 7.281 1.00 0.00 H new ATOM 0 HB3 ARG A 83 16.839 5.828 6.155 1.00 0.00 H new ATOM 0 HG2 ARG A 83 17.992 5.922 8.981 1.00 0.00 H new ATOM 0 HG3 ARG A 83 16.500 5.100 8.569 1.00 0.00 H new ATOM 0 HD2 ARG A 83 17.602 3.439 7.293 1.00 0.00 H new ATOM 0 HD3 ARG A 83 19.006 4.445 6.999 1.00 0.00 H new ATOM 0 HE ARG A 83 19.129 4.165 9.710 1.00 0.00 H new ATOM 0 HH11 ARG A 83 18.558 1.680 7.207 1.00 0.00 H new ATOM 0 HH12 ARG A 83 19.389 0.424 8.130 1.00 0.00 H new ATOM 0 HH21 ARG A 83 20.240 2.550 10.830 1.00 0.00 H new ATOM 0 HH22 ARG A 83 20.337 0.914 10.170 1.00 0.00 H new ATOM 1300 N LEU A 84 20.147 6.806 4.675 1.00 0.00 N ATOM 1301 CA LEU A 84 20.651 6.865 3.292 1.00 0.00 C ATOM 1302 C LEU A 84 22.199 6.839 3.233 1.00 0.00 C ATOM 1303 O LEU A 84 22.847 7.884 3.284 1.00 0.00 O ATOM 1304 CB LEU A 84 20.130 8.138 2.593 1.00 0.00 C ATOM 1305 CG LEU A 84 19.129 7.921 1.440 1.00 0.00 C ATOM 1306 CD1 LEU A 84 18.988 9.230 0.646 1.00 0.00 C ATOM 1307 CD2 LEU A 84 19.573 6.802 0.482 1.00 0.00 C ATOM 0 H LEU A 84 20.904 6.753 5.357 1.00 0.00 H new ATOM 0 HA LEU A 84 20.283 5.979 2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 84 19.656 8.771 3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.986 8.690 2.204 1.00 0.00 H new ATOM 0 HG LEU A 84 18.177 7.623 1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 84 18.282 9.085 -0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.624 10.018 1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 84 19.959 9.516 0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 84 18.835 6.689 -0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.539 7.058 0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.661 5.865 1.032 1.00 0.00 H new ATOM 1319 N ASP A 85 22.770 5.626 3.107 1.00 0.00 N ATOM 1320 CA ASP A 85 24.191 5.341 2.872 1.00 0.00 C ATOM 1321 C ASP A 85 24.381 4.447 1.625 1.00 0.00 C ATOM 1322 O ASP A 85 24.921 4.888 0.610 1.00 0.00 O ATOM 1323 CB ASP A 85 24.784 4.676 4.136 1.00 0.00 C ATOM 1324 CG ASP A 85 26.178 5.191 4.506 1.00 0.00 C ATOM 1325 OD1 ASP A 85 26.982 5.402 3.571 1.00 0.00 O ATOM 1326 OD2 ASP A 85 26.419 5.374 5.720 1.00 0.00 O ATOM 0 H ASP A 85 22.216 4.772 3.171 1.00 0.00 H new ATOM 0 HA ASP A 85 24.720 6.274 2.676 1.00 0.00 H new ATOM 0 HB2 ASP A 85 24.109 4.845 4.975 1.00 0.00 H new ATOM 0 HB3 ASP A 85 24.834 3.598 3.979 1.00 0.00 H new ATOM 1331 N LYS A 86 23.942 3.175 1.729 1.00 0.00 N ATOM 1332 CA LYS A 86 23.769 2.217 0.629 1.00 0.00 C ATOM 1333 C LYS A 86 23.408 2.946 -0.684 1.00 0.00 C ATOM 1334 O LYS A 86 22.424 3.685 -0.734 1.00 0.00 O ATOM 1335 CB LYS A 86 22.692 1.178 1.012 1.00 0.00 C ATOM 1336 CG LYS A 86 22.944 -0.197 0.370 1.00 0.00 C ATOM 1337 CD LYS A 86 21.772 -1.166 0.577 1.00 0.00 C ATOM 1338 CE LYS A 86 22.040 -2.478 -0.176 1.00 0.00 C ATOM 1339 NZ LYS A 86 21.326 -3.616 0.429 1.00 0.00 N ATOM 0 H LYS A 86 23.687 2.773 2.631 1.00 0.00 H new ATOM 0 HA LYS A 86 24.710 1.694 0.459 1.00 0.00 H new ATOM 0 HB2 LYS A 86 22.666 1.070 2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 86 21.713 1.545 0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 86 23.121 -0.069 -0.698 1.00 0.00 H new ATOM 0 HG3 LYS A 86 23.850 -0.632 0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 86 21.638 -1.367 1.640 1.00 0.00 H new ATOM 0 HD3 LYS A 86 20.847 -0.714 0.219 1.00 0.00 H new ATOM 0 HE2 LYS A 86 21.733 -2.369 -1.216 1.00 0.00 H new ATOM 0 HE3 LYS A 86 23.111 -2.682 -0.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 21.534 -4.482 -0.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 21.637 -3.737 1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 20.302 -3.434 0.410 1.00 0.00 H new ATOM 1353 N ILE A 87 24.201 2.718 -1.749 1.00 0.00 N ATOM 1354 CA ILE A 87 23.885 3.055 -3.144 1.00 0.00 C ATOM 1355 C ILE A 87 24.174 1.828 -4.035 1.00 0.00 C ATOM 1356 O ILE A 87 24.981 0.972 -3.669 1.00 0.00 O ATOM 1357 CB ILE A 87 24.698 4.293 -3.612 1.00 0.00 C ATOM 1358 CG1 ILE A 87 24.051 5.625 -3.168 1.00 0.00 C ATOM 1359 CG2 ILE A 87 24.870 4.277 -5.145 1.00 0.00 C ATOM 1360 CD1 ILE A 87 23.315 6.368 -4.293 1.00 0.00 C ATOM 0 H ILE A 87 25.115 2.276 -1.653 1.00 0.00 H new ATOM 0 HA ILE A 87 22.829 3.314 -3.225 1.00 0.00 H new ATOM 0 HB ILE A 87 25.676 4.229 -3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 87 23.348 5.424 -2.359 1.00 0.00 H new ATOM 0 HG13 ILE A 87 24.826 6.276 -2.763 1.00 0.00 H new ATOM 0 HG21 ILE A 87 25.442 5.151 -5.456 1.00 0.00 H new ATOM 0 HG22 ILE A 87 25.400 3.372 -5.442 1.00 0.00 H new ATOM 0 HG23 ILE A 87 23.890 4.296 -5.621 1.00 0.00 H new ATOM 0 HD11 ILE A 87 22.889 7.292 -3.901 1.00 0.00 H new ATOM 0 HD12 ILE A 87 24.016 6.603 -5.094 1.00 0.00 H new ATOM 0 HD13 ILE A 87 22.516 5.737 -4.684 1.00 0.00 H new ATOM 1372 N THR A 88 23.500 1.738 -5.198 1.00 0.00 N ATOM 1373 CA THR A 88 23.505 0.579 -6.102 1.00 0.00 C ATOM 1374 C THR A 88 24.951 0.088 -6.326 1.00 0.00 C ATOM 1375 O THR A 88 25.238 -1.098 -6.156 1.00 0.00 O ATOM 1376 CB THR A 88 22.814 0.949 -7.435 1.00 0.00 C ATOM 1377 OG1 THR A 88 21.610 1.651 -7.182 1.00 0.00 O ATOM 1378 CG2 THR A 88 22.478 -0.278 -8.299 1.00 0.00 C ATOM 0 H THR A 88 22.917 2.500 -5.543 1.00 0.00 H new ATOM 0 HA THR A 88 22.944 -0.239 -5.650 1.00 0.00 H new ATOM 0 HB THR A 88 23.525 1.568 -7.982 1.00 0.00 H new ATOM 0 HG1 THR A 88 21.181 1.882 -8.032 1.00 0.00 H new ATOM 0 HG21 THR A 88 21.995 0.047 -9.220 1.00 0.00 H new ATOM 0 HG22 THR A 88 23.395 -0.815 -8.540 1.00 0.00 H new ATOM 0 HG23 THR A 88 21.805 -0.937 -7.750 1.00 0.00 H new ATOM 1386 N HIS A 89 25.861 1.008 -6.703 1.00 0.00 N ATOM 1387 CA HIS A 89 27.309 0.783 -6.813 1.00 0.00 C ATOM 1388 C HIS A 89 28.050 1.249 -5.541 1.00 0.00 C ATOM 1389 O HIS A 89 28.530 0.422 -4.764 1.00 0.00 O ATOM 1390 CB HIS A 89 27.864 1.479 -8.080 1.00 0.00 C ATOM 1391 CG HIS A 89 29.303 1.127 -8.375 1.00 0.00 C ATOM 1392 ND1 HIS A 89 29.635 0.167 -9.332 1.00 0.00 N ATOM 1393 CD2 HIS A 89 30.456 1.623 -7.825 1.00 0.00 C ATOM 1394 CE1 HIS A 89 30.970 0.117 -9.317 1.00 0.00 C ATOM 1395 NE2 HIS A 89 31.510 0.970 -8.430 1.00 0.00 N ATOM 0 H HIS A 89 25.594 1.962 -6.947 1.00 0.00 H new ATOM 0 HA HIS A 89 27.483 -0.289 -6.908 1.00 0.00 H new ATOM 0 HB2 HIS A 89 27.248 1.205 -8.936 1.00 0.00 H new ATOM 0 HB3 HIS A 89 27.779 2.559 -7.959 1.00 0.00 H new ATOM 0 HD2 HIS A 89 30.526 2.383 -7.061 1.00 0.00 H new ATOM 0 HE1 HIS A 89 31.552 -0.538 -9.949 1.00 0.00 H new ATOM 0 HE2 HIS A 89 32.503 1.107 -8.241 1.00 0.00 H new ATOM 1403 N ALA A 90 28.139 2.577 -5.333 1.00 0.00 N ATOM 1404 CA ALA A 90 28.860 3.223 -4.227 1.00 0.00 C ATOM 1405 C ALA A 90 29.032 4.734 -4.496 1.00 0.00 C ATOM 1406 O ALA A 90 28.861 5.550 -3.588 1.00 0.00 O ATOM 1407 CB ALA A 90 30.233 2.560 -4.028 1.00 0.00 C ATOM 0 H ALA A 90 27.693 3.251 -5.955 1.00 0.00 H new ATOM 0 HA ALA A 90 28.273 3.100 -3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 90 30.757 3.048 -3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 90 30.097 1.504 -3.796 1.00 0.00 H new ATOM 0 HB3 ALA A 90 30.820 2.658 -4.941 1.00 0.00 H new ATOM 1413 N CYS A 91 29.366 5.101 -5.748 1.00 0.00 N ATOM 1414 CA CYS A 91 29.680 6.470 -6.184 1.00 0.00 C ATOM 1415 C CYS A 91 28.747 6.894 -7.338 1.00 0.00 C ATOM 1416 O CYS A 91 27.827 6.157 -7.696 1.00 0.00 O ATOM 1417 CB CYS A 91 31.164 6.555 -6.596 1.00 0.00 C ATOM 1418 SG CYS A 91 32.148 7.470 -5.372 1.00 0.00 S ATOM 0 H CYS A 91 29.426 4.425 -6.510 1.00 0.00 H new ATOM 0 HA CYS A 91 29.514 7.161 -5.358 1.00 0.00 H new ATOM 0 HB2 CYS A 91 31.568 5.549 -6.710 1.00 0.00 H new ATOM 0 HB3 CYS A 91 31.245 7.043 -7.567 1.00 0.00 H new ATOM 0 HG CYS A 91 33.389 7.514 -5.758 1.00 0.00 H new ATOM 1424 N ARG A 92 28.985 8.088 -7.914 1.00 0.00 N ATOM 1425 CA ARG A 92 28.189 8.693 -8.991 1.00 0.00 C ATOM 1426 C ARG A 92 28.999 9.792 -9.696 1.00 0.00 C ATOM 1427 O ARG A 92 29.357 9.641 -10.863 1.00 0.00 O ATOM 1428 CB ARG A 92 26.858 9.252 -8.409 1.00 0.00 C ATOM 1429 CG ARG A 92 26.901 9.653 -6.908 1.00 0.00 C ATOM 1430 CD ARG A 92 25.496 9.723 -6.287 1.00 0.00 C ATOM 1431 NE ARG A 92 24.555 10.375 -7.245 1.00 0.00 N ATOM 1432 CZ ARG A 92 23.304 10.731 -6.970 1.00 0.00 C ATOM 1433 NH1 ARG A 92 22.748 10.573 -5.802 1.00 0.00 N ATOM 1434 NH2 ARG A 92 22.596 11.265 -7.915 1.00 0.00 N ATOM 1435 OXT ARG A 92 29.338 10.991 -8.994 1.00 0.00 O ATOM 0 H ARG A 92 29.767 8.677 -7.629 1.00 0.00 H new ATOM 0 HA ARG A 92 27.944 7.934 -9.734 1.00 0.00 H new ATOM 0 HB2 ARG A 92 26.565 10.125 -8.992 1.00 0.00 H new ATOM 0 HB3 ARG A 92 26.079 8.502 -8.545 1.00 0.00 H new ATOM 0 HG2 ARG A 92 27.504 8.931 -6.358 1.00 0.00 H new ATOM 0 HG3 ARG A 92 27.391 10.622 -6.806 1.00 0.00 H new ATOM 0 HD2 ARG A 92 25.145 8.720 -6.043 1.00 0.00 H new ATOM 0 HD3 ARG A 92 25.528 10.285 -5.354 1.00 0.00 H new ATOM 0 HE ARG A 92 24.900 10.562 -8.187 1.00 0.00 H new ATOM 0 HH11 ARG A 92 23.278 10.156 -5.037 1.00 0.00 H new ATOM 0 HH12 ARG A 92 21.783 10.867 -5.653 1.00 0.00 H new ATOM 0 HH21 ARG A 92 23.002 11.402 -8.841 1.00 0.00 H new ATOM 0 HH22 ARG A 92 21.633 11.548 -7.733 1.00 0.00 H new TER 1449 ARG A 92 HETATM 1450 ZN ZN A 93 1.481 2.214 -2.725 1.00 0.00 ZN