USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 613 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 SER N :NH3+ -122:sc= 0.142 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0594 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.449 K(o=-0.45,f=-1.8) USER MOD Single : A 31 THR OG1 : rot -58:sc= 0.696 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -53:sc= 0.0388 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -1.72 K(o=-1.7,f=-7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0631) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -62:sc= 1.13 USER MOD Single : A 60 GLN :FLIP amide:sc= -0.861 F(o=-2.9,f=-0.86) USER MOD Single : A 62 HIS : no HD1:sc= -10.3! C(o=-10!,f=-13!) USER MOD Single : A 64 LYS NZ :NH3+ 163:sc=-0.00365 (180deg=-0.111) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.91 F(o=-2.6,f=-0.91) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -12.088 -22.947 -26.734 1.00 0.00 N ATOM 2 CA SER A 1 -12.881 -21.760 -27.167 1.00 0.00 C ATOM 3 C SER A 1 -12.705 -20.634 -26.153 1.00 0.00 C ATOM 4 O SER A 1 -12.054 -20.804 -25.122 1.00 0.00 O ATOM 5 CB SER A 1 -14.360 -22.140 -27.254 1.00 0.00 C ATOM 6 OG SER A 1 -14.860 -22.386 -25.947 1.00 0.00 O ATOM 0 H1 SER A 1 -11.409 -23.202 -27.480 1.00 0.00 H new ATOM 0 H2 SER A 1 -11.573 -22.720 -25.860 1.00 0.00 H new ATOM 0 H3 SER A 1 -12.728 -23.748 -26.561 1.00 0.00 H new ATOM 0 HA SER A 1 -12.533 -21.427 -28.145 1.00 0.00 H new ATOM 0 HB2 SER A 1 -14.926 -21.338 -27.727 1.00 0.00 H new ATOM 0 HB3 SER A 1 -14.483 -23.027 -27.876 1.00 0.00 H new ATOM 0 HG SER A 1 -15.808 -22.628 -26.000 1.00 0.00 H new ATOM 14 N LYS A 2 -13.292 -19.481 -26.460 1.00 0.00 N ATOM 15 CA LYS A 2 -13.196 -18.328 -25.569 1.00 0.00 C ATOM 16 C LYS A 2 -14.432 -17.445 -25.706 1.00 0.00 C ATOM 17 O LYS A 2 -14.916 -17.195 -26.810 1.00 0.00 O ATOM 18 CB LYS A 2 -11.952 -17.499 -25.898 1.00 0.00 C ATOM 19 CG LYS A 2 -11.960 -17.135 -27.384 1.00 0.00 C ATOM 20 CD LYS A 2 -10.587 -16.590 -27.783 1.00 0.00 C ATOM 21 CE LYS A 2 -10.349 -16.846 -29.272 1.00 0.00 C ATOM 22 NZ LYS A 2 -9.544 -15.732 -29.845 1.00 0.00 N ATOM 0 H LYS A 2 -13.834 -19.320 -27.309 1.00 0.00 H new ATOM 0 HA LYS A 2 -13.125 -18.698 -24.546 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.934 -16.594 -25.291 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.051 -18.063 -25.656 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.203 -18.013 -27.983 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.731 -16.390 -27.583 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.533 -15.522 -27.574 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.807 -17.070 -27.191 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -9.828 -17.794 -29.410 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.302 -16.927 -29.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -9.382 -15.906 -30.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.057 -14.835 -29.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -8.630 -15.676 -29.353 1.00 0.00 H new ATOM 36 N SER A 3 -14.936 -16.973 -24.569 1.00 0.00 N ATOM 37 CA SER A 3 -16.118 -16.116 -24.569 1.00 0.00 C ATOM 38 C SER A 3 -15.767 -14.726 -24.050 1.00 0.00 C ATOM 39 O SER A 3 -16.235 -13.715 -24.573 1.00 0.00 O ATOM 40 CB SER A 3 -17.214 -16.715 -23.687 1.00 0.00 C ATOM 41 OG SER A 3 -18.434 -16.024 -23.920 1.00 0.00 O ATOM 0 H SER A 3 -14.550 -17.167 -23.645 1.00 0.00 H new ATOM 0 HA SER A 3 -16.479 -16.041 -25.595 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.335 -17.775 -23.908 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.934 -16.638 -22.636 1.00 0.00 H new ATOM 0 HG SER A 3 -19.139 -16.407 -23.357 1.00 0.00 H new ATOM 47 N MET A 4 -14.936 -14.687 -23.012 1.00 0.00 N ATOM 48 CA MET A 4 -14.524 -13.416 -22.424 1.00 0.00 C ATOM 49 C MET A 4 -13.241 -13.591 -21.619 1.00 0.00 C ATOM 50 O MET A 4 -12.836 -14.711 -21.305 1.00 0.00 O ATOM 51 CB MET A 4 -15.619 -12.870 -21.505 1.00 0.00 C ATOM 52 CG MET A 4 -15.996 -13.935 -20.473 1.00 0.00 C ATOM 53 SD MET A 4 -17.194 -13.246 -19.305 1.00 0.00 S ATOM 54 CE MET A 4 -18.268 -14.699 -19.198 1.00 0.00 C ATOM 0 H MET A 4 -14.538 -15.512 -22.564 1.00 0.00 H new ATOM 0 HA MET A 4 -14.349 -12.712 -23.237 1.00 0.00 H new ATOM 0 HB2 MET A 4 -15.270 -11.968 -21.002 1.00 0.00 H new ATOM 0 HB3 MET A 4 -16.494 -12.590 -22.091 1.00 0.00 H new ATOM 0 HG2 MET A 4 -16.419 -14.807 -20.972 1.00 0.00 H new ATOM 0 HG3 MET A 4 -15.106 -14.272 -19.941 1.00 0.00 H new ATOM 0 HE1 MET A 4 -19.093 -14.493 -18.516 1.00 0.00 H new ATOM 0 HE2 MET A 4 -18.664 -14.932 -20.186 1.00 0.00 H new ATOM 0 HE3 MET A 4 -17.695 -15.549 -18.828 1.00 0.00 H new ATOM 64 N GLN A 5 -12.605 -12.471 -21.290 1.00 0.00 N ATOM 65 CA GLN A 5 -11.365 -12.508 -20.520 1.00 0.00 C ATOM 66 C GLN A 5 -11.667 -12.526 -19.025 1.00 0.00 C ATOM 67 O GLN A 5 -12.592 -11.863 -18.555 1.00 0.00 O ATOM 68 CB GLN A 5 -10.500 -11.287 -20.838 1.00 0.00 C ATOM 69 CG GLN A 5 -10.016 -11.369 -22.288 1.00 0.00 C ATOM 70 CD GLN A 5 -8.664 -10.675 -22.414 1.00 0.00 C ATOM 71 OE1 GLN A 5 -8.545 -9.481 -22.140 1.00 0.00 O ATOM 72 NE2 GLN A 5 -7.628 -11.360 -22.815 1.00 0.00 N ATOM 0 H GLN A 5 -12.923 -11.535 -21.541 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.826 -13.415 -20.794 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.073 -10.372 -20.686 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.647 -11.246 -20.160 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.932 -12.411 -22.596 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.741 -10.898 -22.952 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.728 -12.349 -23.042 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.719 -10.906 -22.902 1.00 0.00 H new ATOM 81 N VAL A 6 -10.875 -13.294 -18.283 1.00 0.00 N ATOM 82 CA VAL A 6 -11.063 -13.396 -16.839 1.00 0.00 C ATOM 83 C VAL A 6 -10.723 -12.064 -16.160 1.00 0.00 C ATOM 84 O VAL A 6 -10.053 -11.217 -16.752 1.00 0.00 O ATOM 85 CB VAL A 6 -10.172 -14.494 -16.259 1.00 0.00 C ATOM 86 CG1 VAL A 6 -10.621 -15.854 -16.795 1.00 0.00 C ATOM 87 CG2 VAL A 6 -8.720 -14.240 -16.667 1.00 0.00 C ATOM 0 H VAL A 6 -10.104 -13.850 -18.653 1.00 0.00 H new ATOM 0 HA VAL A 6 -12.108 -13.643 -16.652 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.251 -14.489 -15.172 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.985 -16.636 -16.381 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.656 -16.036 -16.505 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.543 -15.860 -17.882 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.084 -15.023 -16.254 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.641 -14.245 -17.754 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.399 -13.271 -16.284 1.00 0.00 H new ATOM 97 N PRO A 7 -11.180 -11.856 -14.914 1.00 0.00 N ATOM 98 CA PRO A 7 -10.909 -10.607 -14.182 1.00 0.00 C ATOM 99 C PRO A 7 -9.559 -10.626 -13.468 1.00 0.00 C ATOM 100 O PRO A 7 -8.811 -11.600 -13.548 1.00 0.00 O ATOM 101 CB PRO A 7 -12.052 -10.572 -13.175 1.00 0.00 C ATOM 102 CG PRO A 7 -12.524 -12.010 -12.978 1.00 0.00 C ATOM 103 CD PRO A 7 -11.990 -12.836 -14.155 1.00 0.00 C ATOM 0 HA PRO A 7 -10.857 -9.738 -14.837 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.719 -10.143 -12.230 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.867 -9.946 -13.539 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -12.156 -12.408 -12.032 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -13.612 -12.055 -12.941 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.388 -13.679 -13.815 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -12.799 -13.245 -14.760 1.00 0.00 H new ATOM 111 N PHE A 8 -9.258 -9.536 -12.768 1.00 0.00 N ATOM 112 CA PHE A 8 -7.996 -9.433 -12.040 1.00 0.00 C ATOM 113 C PHE A 8 -8.229 -8.841 -10.653 1.00 0.00 C ATOM 114 O PHE A 8 -8.467 -7.642 -10.505 1.00 0.00 O ATOM 115 CB PHE A 8 -7.003 -8.552 -12.801 1.00 0.00 C ATOM 116 CG PHE A 8 -7.631 -7.212 -13.092 1.00 0.00 C ATOM 117 CD1 PHE A 8 -8.621 -7.104 -14.075 1.00 0.00 C ATOM 118 CD2 PHE A 8 -7.222 -6.078 -12.382 1.00 0.00 C ATOM 119 CE1 PHE A 8 -9.204 -5.862 -14.348 1.00 0.00 C ATOM 120 CE2 PHE A 8 -7.805 -4.834 -12.655 1.00 0.00 C ATOM 121 CZ PHE A 8 -8.796 -4.725 -13.638 1.00 0.00 C ATOM 0 H PHE A 8 -9.863 -8.719 -12.689 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.583 -10.437 -11.942 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.095 -8.419 -12.213 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.711 -9.037 -13.732 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.935 -7.980 -14.623 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.457 -6.162 -11.624 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.969 -5.780 -15.106 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.490 -3.958 -12.107 1.00 0.00 H new ATOM 0 HZ PHE A 8 -9.245 -3.766 -13.849 1.00 0.00 H new ATOM 131 N SER A 9 -8.159 -9.697 -9.638 1.00 0.00 N ATOM 132 CA SER A 9 -8.364 -9.250 -8.262 1.00 0.00 C ATOM 133 C SER A 9 -7.209 -9.704 -7.376 1.00 0.00 C ATOM 134 O SER A 9 -6.203 -10.224 -7.859 1.00 0.00 O ATOM 135 CB SER A 9 -9.672 -9.816 -7.707 1.00 0.00 C ATOM 136 OG SER A 9 -10.182 -8.932 -6.718 1.00 0.00 O ATOM 0 H SER A 9 -7.964 -10.693 -9.739 1.00 0.00 H new ATOM 0 HA SER A 9 -8.412 -8.161 -8.265 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.398 -9.940 -8.510 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.501 -10.803 -7.277 1.00 0.00 H new ATOM 0 HG SER A 9 -11.021 -9.290 -6.361 1.00 0.00 H new ATOM 142 N ARG A 10 -7.366 -9.505 -6.068 1.00 0.00 N ATOM 143 CA ARG A 10 -6.333 -9.897 -5.113 1.00 0.00 C ATOM 144 C ARG A 10 -5.023 -9.172 -5.410 1.00 0.00 C ATOM 145 O ARG A 10 -4.939 -8.366 -6.336 1.00 0.00 O ATOM 146 CB ARG A 10 -6.099 -11.407 -5.177 1.00 0.00 C ATOM 147 CG ARG A 10 -7.007 -12.111 -4.167 1.00 0.00 C ATOM 148 CD ARG A 10 -6.246 -12.331 -2.859 1.00 0.00 C ATOM 149 NE ARG A 10 -7.014 -13.185 -1.951 1.00 0.00 N ATOM 150 CZ ARG A 10 -6.456 -13.774 -0.883 1.00 0.00 C ATOM 151 NH1 ARG A 10 -5.184 -13.614 -0.606 1.00 0.00 N ATOM 152 NH2 ARG A 10 -7.193 -14.521 -0.106 1.00 0.00 N ATOM 0 H ARG A 10 -8.192 -9.078 -5.649 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.674 -9.623 -4.114 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.303 -11.774 -6.183 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.055 -11.633 -4.961 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.898 -11.511 -3.984 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.343 -13.067 -4.569 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.280 -12.790 -3.068 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.047 -11.371 -2.382 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.005 -13.337 -2.137 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.600 -13.033 -1.208 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.779 -14.071 0.211 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.183 -14.652 -0.314 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.779 -14.974 0.709 1.00 0.00 H new ATOM 166 N CYS A 11 -4.002 -9.469 -4.611 1.00 0.00 N ATOM 167 CA CYS A 11 -2.697 -8.842 -4.792 1.00 0.00 C ATOM 168 C CYS A 11 -2.039 -9.336 -6.076 1.00 0.00 C ATOM 169 O CYS A 11 -2.607 -10.138 -6.817 1.00 0.00 O ATOM 170 CB CYS A 11 -1.780 -9.161 -3.611 1.00 0.00 C ATOM 171 SG CYS A 11 -2.175 -8.065 -2.226 1.00 0.00 S ATOM 0 H CYS A 11 -4.052 -10.134 -3.839 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.850 -7.765 -4.853 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.904 -10.202 -3.312 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.737 -9.035 -3.902 1.00 0.00 H new ATOM 176 N CYS A 12 -0.830 -8.845 -6.325 1.00 0.00 N ATOM 177 CA CYS A 12 -0.085 -9.235 -7.520 1.00 0.00 C ATOM 178 C CYS A 12 0.917 -10.334 -7.187 1.00 0.00 C ATOM 179 O CYS A 12 1.027 -10.770 -6.041 1.00 0.00 O ATOM 180 CB CYS A 12 0.683 -8.040 -8.087 1.00 0.00 C ATOM 181 SG CYS A 12 -0.466 -6.701 -8.493 1.00 0.00 S ATOM 0 H CYS A 12 -0.346 -8.181 -5.721 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.803 -9.597 -8.256 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.418 -7.692 -7.361 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.233 -8.341 -8.978 1.00 0.00 H new ATOM 186 N PHE A 13 1.661 -10.760 -8.202 1.00 0.00 N ATOM 187 CA PHE A 13 2.674 -11.793 -8.014 1.00 0.00 C ATOM 188 C PHE A 13 4.008 -11.141 -7.676 1.00 0.00 C ATOM 189 O PHE A 13 4.718 -11.567 -6.766 1.00 0.00 O ATOM 190 CB PHE A 13 2.840 -12.623 -9.287 1.00 0.00 C ATOM 191 CG PHE A 13 1.870 -13.780 -9.269 1.00 0.00 C ATOM 192 CD1 PHE A 13 2.177 -14.939 -8.545 1.00 0.00 C ATOM 193 CD2 PHE A 13 0.665 -13.695 -9.977 1.00 0.00 C ATOM 194 CE1 PHE A 13 1.278 -16.012 -8.530 1.00 0.00 C ATOM 195 CE2 PHE A 13 -0.233 -14.769 -9.961 1.00 0.00 C ATOM 196 CZ PHE A 13 0.074 -15.927 -9.238 1.00 0.00 C ATOM 0 H PHE A 13 1.583 -10.409 -9.157 1.00 0.00 H new ATOM 0 HA PHE A 13 2.355 -12.445 -7.201 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.663 -12.001 -10.164 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.862 -12.994 -9.360 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.106 -15.005 -7.999 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.428 -12.801 -10.535 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.514 -16.906 -7.972 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.163 -14.704 -10.507 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.619 -16.756 -9.226 1.00 0.00 H new ATOM 206 N SER A 14 4.329 -10.090 -8.426 1.00 0.00 N ATOM 207 CA SER A 14 5.570 -9.358 -8.214 1.00 0.00 C ATOM 208 C SER A 14 5.261 -7.952 -7.713 1.00 0.00 C ATOM 209 O SER A 14 4.538 -7.195 -8.360 1.00 0.00 O ATOM 210 CB SER A 14 6.356 -9.258 -9.518 1.00 0.00 C ATOM 211 OG SER A 14 7.211 -10.387 -9.641 1.00 0.00 O ATOM 0 H SER A 14 3.748 -9.729 -9.183 1.00 0.00 H new ATOM 0 HA SER A 14 6.165 -9.893 -7.474 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.672 -9.212 -10.365 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.943 -8.340 -9.532 1.00 0.00 H new ATOM 0 HG SER A 14 7.716 -10.326 -10.479 1.00 0.00 H new ATOM 217 N PHE A 15 5.802 -7.613 -6.547 1.00 0.00 N ATOM 218 CA PHE A 15 5.556 -6.297 -5.965 1.00 0.00 C ATOM 219 C PHE A 15 6.660 -5.320 -6.347 1.00 0.00 C ATOM 220 O PHE A 15 7.617 -5.677 -7.035 1.00 0.00 O ATOM 221 CB PHE A 15 5.472 -6.398 -4.433 1.00 0.00 C ATOM 222 CG PHE A 15 4.137 -6.990 -3.979 1.00 0.00 C ATOM 223 CD1 PHE A 15 3.300 -7.697 -4.867 1.00 0.00 C ATOM 224 CD2 PHE A 15 3.745 -6.836 -2.643 1.00 0.00 C ATOM 225 CE1 PHE A 15 2.093 -8.235 -4.420 1.00 0.00 C ATOM 226 CE2 PHE A 15 2.532 -7.375 -2.198 1.00 0.00 C ATOM 227 CZ PHE A 15 1.707 -8.075 -3.085 1.00 0.00 C ATOM 0 H PHE A 15 6.405 -8.221 -5.993 1.00 0.00 H new ATOM 0 HA PHE A 15 4.608 -5.929 -6.357 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.289 -7.017 -4.063 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.599 -5.408 -3.995 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.595 -7.823 -5.898 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.381 -6.300 -1.954 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.456 -8.775 -5.105 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.232 -7.250 -1.168 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.773 -8.492 -2.739 1.00 0.00 H new ATOM 237 N ALA A 16 6.513 -4.080 -5.893 1.00 0.00 N ATOM 238 CA ALA A 16 7.499 -3.045 -6.191 1.00 0.00 C ATOM 239 C ALA A 16 8.634 -3.077 -5.167 1.00 0.00 C ATOM 240 O ALA A 16 8.932 -2.079 -4.508 1.00 0.00 O ATOM 241 CB ALA A 16 6.840 -1.663 -6.175 1.00 0.00 C ATOM 0 H ALA A 16 5.728 -3.768 -5.322 1.00 0.00 H new ATOM 0 HA ALA A 16 7.907 -3.239 -7.183 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.587 -0.901 -6.399 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.050 -1.628 -6.925 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.414 -1.475 -5.190 1.00 0.00 H new ATOM 247 N GLU A 17 9.268 -4.237 -5.042 1.00 0.00 N ATOM 248 CA GLU A 17 10.370 -4.387 -4.098 1.00 0.00 C ATOM 249 C GLU A 17 11.711 -4.267 -4.816 1.00 0.00 C ATOM 250 O GLU A 17 12.699 -4.887 -4.423 1.00 0.00 O ATOM 251 CB GLU A 17 10.298 -5.747 -3.402 1.00 0.00 C ATOM 252 CG GLU A 17 9.108 -5.767 -2.439 1.00 0.00 C ATOM 253 CD GLU A 17 9.021 -7.131 -1.765 1.00 0.00 C ATOM 254 OE1 GLU A 17 9.223 -8.121 -2.448 1.00 0.00 O ATOM 255 OE2 GLU A 17 8.753 -7.166 -0.575 1.00 0.00 O ATOM 0 H GLU A 17 9.043 -5.077 -5.574 1.00 0.00 H new ATOM 0 HA GLU A 17 10.284 -3.594 -3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.194 -6.541 -4.142 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.223 -5.938 -2.858 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.221 -4.985 -1.688 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.185 -5.558 -2.980 1.00 0.00 H new ATOM 262 N GLN A 18 11.737 -3.460 -5.876 1.00 0.00 N ATOM 263 CA GLN A 18 12.964 -3.266 -6.643 1.00 0.00 C ATOM 264 C GLN A 18 13.586 -1.896 -6.354 1.00 0.00 C ATOM 265 O GLN A 18 14.407 -1.403 -7.128 1.00 0.00 O ATOM 266 CB GLN A 18 12.679 -3.373 -8.142 1.00 0.00 C ATOM 267 CG GLN A 18 12.677 -4.845 -8.558 1.00 0.00 C ATOM 268 CD GLN A 18 14.064 -5.237 -9.056 1.00 0.00 C ATOM 269 OE1 GLN A 18 15.072 -4.895 -8.437 1.00 0.00 O ATOM 270 NE2 GLN A 18 14.177 -5.940 -10.149 1.00 0.00 N ATOM 0 H GLN A 18 10.932 -2.936 -6.219 1.00 0.00 H new ATOM 0 HA GLN A 18 13.664 -4.046 -6.343 1.00 0.00 H new ATOM 0 HB2 GLN A 18 11.716 -2.918 -8.373 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.434 -2.826 -8.706 1.00 0.00 H new ATOM 0 HG2 GLN A 18 12.392 -5.472 -7.713 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.938 -5.011 -9.342 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.342 -6.223 -10.662 1.00 0.00 H new ATOM 0 HE22 GLN A 18 15.100 -6.206 -10.491 1.00 0.00 H new ATOM 279 N GLU A 19 13.197 -1.288 -5.232 1.00 0.00 N ATOM 280 CA GLU A 19 13.733 0.020 -4.855 1.00 0.00 C ATOM 281 C GLU A 19 13.487 1.055 -5.954 1.00 0.00 C ATOM 282 O GLU A 19 14.308 1.943 -6.184 1.00 0.00 O ATOM 283 CB GLU A 19 15.239 -0.079 -4.594 1.00 0.00 C ATOM 284 CG GLU A 19 15.479 -0.814 -3.274 1.00 0.00 C ATOM 285 CD GLU A 19 15.411 -2.319 -3.509 1.00 0.00 C ATOM 286 OE1 GLU A 19 16.108 -2.793 -4.391 1.00 0.00 O ATOM 287 OE2 GLU A 19 14.662 -2.975 -2.804 1.00 0.00 O ATOM 0 H GLU A 19 12.520 -1.676 -4.575 1.00 0.00 H new ATOM 0 HA GLU A 19 13.219 0.338 -3.948 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.727 -0.609 -5.412 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.678 0.918 -4.553 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.453 -0.543 -2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.732 -0.516 -2.539 1.00 0.00 H new ATOM 294 N ILE A 20 12.346 0.935 -6.628 1.00 0.00 N ATOM 295 CA ILE A 20 12.009 1.874 -7.696 1.00 0.00 C ATOM 296 C ILE A 20 11.873 3.293 -7.126 1.00 0.00 C ATOM 297 O ILE A 20 11.437 3.461 -5.987 1.00 0.00 O ATOM 298 CB ILE A 20 10.700 1.469 -8.380 1.00 0.00 C ATOM 299 CG1 ILE A 20 9.568 1.427 -7.346 1.00 0.00 C ATOM 300 CG2 ILE A 20 10.870 0.085 -9.013 1.00 0.00 C ATOM 301 CD1 ILE A 20 8.245 1.091 -8.040 1.00 0.00 C ATOM 0 H ILE A 20 11.649 0.210 -6.458 1.00 0.00 H new ATOM 0 HA ILE A 20 12.811 1.854 -8.434 1.00 0.00 H new ATOM 0 HB ILE A 20 10.451 2.197 -9.152 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.788 0.681 -6.582 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.490 2.389 -6.839 1.00 0.00 H new ATOM 0 HG21 ILE A 20 9.941 -0.208 -9.501 1.00 0.00 H new ATOM 0 HG22 ILE A 20 11.673 0.118 -9.750 1.00 0.00 H new ATOM 0 HG23 ILE A 20 11.118 -0.641 -8.239 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.444 1.062 -7.302 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.022 1.853 -8.787 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.326 0.119 -8.526 1.00 0.00 H new ATOM 313 N PRO A 21 12.246 4.331 -7.892 1.00 0.00 N ATOM 314 CA PRO A 21 12.155 5.719 -7.411 1.00 0.00 C ATOM 315 C PRO A 21 10.789 6.350 -7.672 1.00 0.00 C ATOM 316 O PRO A 21 9.910 5.739 -8.280 1.00 0.00 O ATOM 317 CB PRO A 21 13.224 6.413 -8.245 1.00 0.00 C ATOM 318 CG PRO A 21 13.414 5.584 -9.514 1.00 0.00 C ATOM 319 CD PRO A 21 12.781 4.210 -9.268 1.00 0.00 C ATOM 0 HA PRO A 21 12.290 5.796 -6.332 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.920 7.430 -8.492 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.159 6.486 -7.689 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.944 6.075 -10.366 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.473 5.481 -9.749 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.993 3.994 -9.990 1.00 0.00 H new ATOM 0 HD3 PRO A 21 13.515 3.408 -9.347 1.00 0.00 H new ATOM 327 N LEU A 22 10.630 7.588 -7.211 1.00 0.00 N ATOM 328 CA LEU A 22 9.375 8.311 -7.408 1.00 0.00 C ATOM 329 C LEU A 22 9.173 8.632 -8.884 1.00 0.00 C ATOM 330 O LEU A 22 8.044 8.761 -9.351 1.00 0.00 O ATOM 331 CB LEU A 22 9.367 9.613 -6.604 1.00 0.00 C ATOM 332 CG LEU A 22 8.993 9.477 -5.127 1.00 0.00 C ATOM 333 CD1 LEU A 22 7.563 8.947 -5.007 1.00 0.00 C ATOM 334 CD2 LEU A 22 9.955 8.506 -4.444 1.00 0.00 C ATOM 0 H LEU A 22 11.346 8.108 -6.703 1.00 0.00 H new ATOM 0 HA LEU A 22 8.563 7.672 -7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.357 10.065 -6.669 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.669 10.305 -7.075 1.00 0.00 H new ATOM 0 HG LEU A 22 9.059 10.453 -4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.298 8.851 -3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.876 9.640 -5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.495 7.972 -5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.688 8.409 -3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.890 7.530 -4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.974 8.885 -4.527 1.00 0.00 H new ATOM 346 N ARG A 23 10.276 8.747 -9.622 1.00 0.00 N ATOM 347 CA ARG A 23 10.191 9.035 -11.053 1.00 0.00 C ATOM 348 C ARG A 23 9.368 7.960 -11.773 1.00 0.00 C ATOM 349 O ARG A 23 8.849 8.191 -12.866 1.00 0.00 O ATOM 350 CB ARG A 23 11.591 9.090 -11.670 1.00 0.00 C ATOM 351 CG ARG A 23 11.616 10.133 -12.791 1.00 0.00 C ATOM 352 CD ARG A 23 11.407 11.526 -12.196 1.00 0.00 C ATOM 353 NE ARG A 23 12.132 12.535 -12.973 1.00 0.00 N ATOM 354 CZ ARG A 23 13.453 12.722 -12.843 1.00 0.00 C ATOM 355 NH1 ARG A 23 14.165 12.001 -12.010 1.00 0.00 N ATOM 356 NH2 ARG A 23 14.044 13.639 -13.561 1.00 0.00 N ATOM 0 H ARG A 23 11.225 8.647 -9.261 1.00 0.00 H new ATOM 0 HA ARG A 23 9.702 10.002 -11.172 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.326 9.344 -10.907 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.865 8.111 -12.064 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.568 10.091 -13.320 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.836 9.917 -13.521 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.344 11.765 -12.182 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.750 11.540 -11.162 1.00 0.00 H new ATOM 0 HE ARG A 23 11.615 13.114 -13.634 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.715 11.281 -11.445 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.169 12.160 -11.927 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.501 14.205 -14.213 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.049 13.789 -13.470 1.00 0.00 H new ATOM 370 N ALA A 24 9.251 6.784 -11.149 1.00 0.00 N ATOM 371 CA ALA A 24 8.487 5.689 -11.740 1.00 0.00 C ATOM 372 C ALA A 24 7.140 5.492 -11.029 1.00 0.00 C ATOM 373 O ALA A 24 6.372 4.597 -11.384 1.00 0.00 O ATOM 374 CB ALA A 24 9.290 4.385 -11.661 1.00 0.00 C ATOM 0 H ALA A 24 9.672 6.570 -10.245 1.00 0.00 H new ATOM 0 HA ALA A 24 8.295 5.948 -12.781 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.712 3.574 -12.104 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.228 4.502 -12.205 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.502 4.151 -10.618 1.00 0.00 H new ATOM 380 N ILE A 25 6.853 6.325 -10.022 1.00 0.00 N ATOM 381 CA ILE A 25 5.594 6.205 -9.289 1.00 0.00 C ATOM 382 C ILE A 25 4.931 7.576 -9.138 1.00 0.00 C ATOM 383 O ILE A 25 5.589 8.612 -9.209 1.00 0.00 O ATOM 384 CB ILE A 25 5.835 5.606 -7.899 1.00 0.00 C ATOM 385 CG1 ILE A 25 6.680 4.330 -8.025 1.00 0.00 C ATOM 386 CG2 ILE A 25 4.493 5.261 -7.252 1.00 0.00 C ATOM 387 CD1 ILE A 25 7.006 3.783 -6.631 1.00 0.00 C ATOM 0 H ILE A 25 7.465 7.076 -9.702 1.00 0.00 H new ATOM 0 HA ILE A 25 4.936 5.545 -9.855 1.00 0.00 H new ATOM 0 HB ILE A 25 6.364 6.332 -7.282 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.139 3.580 -8.602 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.602 4.545 -8.566 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.664 4.835 -6.263 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.891 6.165 -7.158 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.965 4.537 -7.873 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.606 2.878 -6.726 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.565 4.531 -6.068 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.080 3.551 -6.105 1.00 0.00 H new ATOM 399 N LEU A 26 3.616 7.568 -8.935 1.00 0.00 N ATOM 400 CA LEU A 26 2.868 8.815 -8.781 1.00 0.00 C ATOM 401 C LEU A 26 2.358 8.958 -7.355 1.00 0.00 C ATOM 402 O LEU A 26 2.592 9.966 -6.689 1.00 0.00 O ATOM 403 CB LEU A 26 1.679 8.845 -9.736 1.00 0.00 C ATOM 404 CG LEU A 26 2.011 9.286 -11.161 1.00 0.00 C ATOM 405 CD1 LEU A 26 0.791 9.070 -12.053 1.00 0.00 C ATOM 406 CD2 LEU A 26 2.388 10.770 -11.165 1.00 0.00 C ATOM 0 H LEU A 26 3.050 6.722 -8.874 1.00 0.00 H new ATOM 0 HA LEU A 26 3.542 9.640 -9.011 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.236 7.850 -9.773 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.922 9.516 -9.330 1.00 0.00 H new ATOM 0 HG LEU A 26 2.849 8.699 -11.537 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.024 9.384 -13.071 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.522 8.014 -12.052 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.045 9.658 -11.675 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.624 11.083 -12.182 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.551 11.359 -10.790 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.257 10.926 -10.526 1.00 0.00 H new ATOM 418 N CYS A 27 1.653 7.931 -6.900 1.00 0.00 N ATOM 419 CA CYS A 27 1.099 7.927 -5.547 1.00 0.00 C ATOM 420 C CYS A 27 0.939 6.493 -5.061 1.00 0.00 C ATOM 421 O CYS A 27 1.235 5.547 -5.792 1.00 0.00 O ATOM 422 CB CYS A 27 -0.264 8.626 -5.513 1.00 0.00 C ATOM 423 SG CYS A 27 -1.358 7.894 -6.757 1.00 0.00 S ATOM 0 H CYS A 27 1.450 7.092 -7.443 1.00 0.00 H new ATOM 0 HA CYS A 27 1.786 8.466 -4.895 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.708 8.529 -4.522 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.142 9.692 -5.705 1.00 0.00 H new ATOM 428 N TYR A 28 0.471 6.327 -3.823 1.00 0.00 N ATOM 429 CA TYR A 28 0.291 4.982 -3.283 1.00 0.00 C ATOM 430 C TYR A 28 -1.065 4.834 -2.585 1.00 0.00 C ATOM 431 O TYR A 28 -1.693 5.817 -2.193 1.00 0.00 O ATOM 432 CB TYR A 28 1.471 4.614 -2.351 1.00 0.00 C ATOM 433 CG TYR A 28 1.177 4.872 -0.881 1.00 0.00 C ATOM 434 CD1 TYR A 28 0.626 6.092 -0.475 1.00 0.00 C ATOM 435 CD2 TYR A 28 1.468 3.884 0.066 1.00 0.00 C ATOM 436 CE1 TYR A 28 0.365 6.323 0.883 1.00 0.00 C ATOM 437 CE2 TYR A 28 1.209 4.111 1.422 1.00 0.00 C ATOM 438 CZ TYR A 28 0.657 5.332 1.831 1.00 0.00 C ATOM 439 OH TYR A 28 0.400 5.559 3.168 1.00 0.00 O ATOM 0 H TYR A 28 0.216 7.086 -3.191 1.00 0.00 H new ATOM 0 HA TYR A 28 0.290 4.275 -4.112 1.00 0.00 H new ATOM 0 HB2 TYR A 28 1.717 3.561 -2.486 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.350 5.187 -2.645 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.402 6.855 -1.206 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.894 2.943 -0.251 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.061 7.264 1.199 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.434 3.347 2.152 1.00 0.00 H new ATOM 0 HH TYR A 28 0.659 4.771 3.689 1.00 0.00 H new ATOM 449 N ARG A 29 -1.498 3.586 -2.437 1.00 0.00 N ATOM 450 CA ARG A 29 -2.774 3.301 -1.784 1.00 0.00 C ATOM 451 C ARG A 29 -2.821 1.849 -1.314 1.00 0.00 C ATOM 452 O ARG A 29 -2.395 0.937 -2.024 1.00 0.00 O ATOM 453 CB ARG A 29 -3.941 3.554 -2.744 1.00 0.00 C ATOM 454 CG ARG A 29 -3.691 2.823 -4.067 1.00 0.00 C ATOM 455 CD ARG A 29 -5.017 2.301 -4.622 1.00 0.00 C ATOM 456 NE ARG A 29 -5.373 1.024 -3.997 1.00 0.00 N ATOM 457 CZ ARG A 29 -6.469 0.339 -4.350 1.00 0.00 C ATOM 458 NH1 ARG A 29 -7.281 0.785 -5.279 1.00 0.00 N ATOM 459 NH2 ARG A 29 -6.735 -0.794 -3.759 1.00 0.00 N ATOM 0 H ARG A 29 -0.990 2.761 -2.757 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.865 3.965 -0.924 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.873 3.208 -2.297 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.051 4.623 -2.924 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.225 3.498 -4.785 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.999 1.995 -3.912 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.805 3.032 -4.442 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.940 2.174 -5.702 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.767 0.645 -3.270 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.083 1.669 -5.748 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.110 0.248 -5.533 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.111 -1.151 -3.035 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.567 -1.323 -4.021 1.00 0.00 H new ATOM 473 N ASN A 30 -3.349 1.645 -0.111 1.00 0.00 N ATOM 474 CA ASN A 30 -3.454 0.298 0.446 1.00 0.00 C ATOM 475 C ASN A 30 -4.548 -0.485 -0.272 1.00 0.00 C ATOM 476 O ASN A 30 -5.377 0.089 -0.978 1.00 0.00 O ATOM 477 CB ASN A 30 -3.782 0.359 1.940 1.00 0.00 C ATOM 478 CG ASN A 30 -5.025 1.215 2.153 1.00 0.00 C ATOM 479 OD1 ASN A 30 -6.127 0.830 1.758 1.00 0.00 O ATOM 480 ND2 ASN A 30 -4.916 2.364 2.761 1.00 0.00 N ATOM 0 H ASN A 30 -3.708 2.385 0.492 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.495 -0.202 0.308 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.949 -0.646 2.328 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.940 0.778 2.491 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.743 2.943 2.909 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.004 2.683 3.088 1.00 0.00 H new ATOM 487 N THR A 31 -4.544 -1.803 -0.087 1.00 0.00 N ATOM 488 CA THR A 31 -5.547 -2.648 -0.729 1.00 0.00 C ATOM 489 C THR A 31 -6.116 -3.663 0.265 1.00 0.00 C ATOM 490 O THR A 31 -6.041 -4.876 0.056 1.00 0.00 O ATOM 491 CB THR A 31 -4.938 -3.386 -1.927 1.00 0.00 C ATOM 492 OG1 THR A 31 -5.917 -4.236 -2.505 1.00 0.00 O ATOM 493 CG2 THR A 31 -3.740 -4.222 -1.468 1.00 0.00 C ATOM 0 H THR A 31 -3.869 -2.302 0.492 1.00 0.00 H new ATOM 0 HA THR A 31 -6.355 -2.006 -1.078 1.00 0.00 H new ATOM 0 HB THR A 31 -4.604 -2.658 -2.666 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.237 -4.872 -1.831 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.311 -4.744 -2.324 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.987 -3.568 -1.028 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.067 -4.950 -0.726 1.00 0.00 H new ATOM 501 N SER A 32 -6.699 -3.148 1.347 1.00 0.00 N ATOM 502 CA SER A 32 -7.298 -4.004 2.377 1.00 0.00 C ATOM 503 C SER A 32 -6.311 -5.063 2.863 1.00 0.00 C ATOM 504 O SER A 32 -5.188 -5.164 2.371 1.00 0.00 O ATOM 505 CB SER A 32 -8.535 -4.709 1.824 1.00 0.00 C ATOM 506 OG SER A 32 -9.652 -3.834 1.907 1.00 0.00 O ATOM 0 H SER A 32 -6.771 -2.148 1.535 1.00 0.00 H new ATOM 0 HA SER A 32 -7.573 -3.362 3.214 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.366 -5.005 0.788 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.730 -5.621 2.388 1.00 0.00 H new ATOM 0 HG SER A 32 -10.447 -4.283 1.551 1.00 0.00 H new ATOM 512 N SER A 33 -6.757 -5.864 3.828 1.00 0.00 N ATOM 513 CA SER A 33 -5.918 -6.931 4.367 1.00 0.00 C ATOM 514 C SER A 33 -6.334 -8.287 3.788 1.00 0.00 C ATOM 515 O SER A 33 -6.042 -9.336 4.363 1.00 0.00 O ATOM 516 CB SER A 33 -6.034 -6.984 5.891 1.00 0.00 C ATOM 517 OG SER A 33 -4.860 -7.577 6.430 1.00 0.00 O ATOM 0 H SER A 33 -7.684 -5.796 4.249 1.00 0.00 H new ATOM 0 HA SER A 33 -4.886 -6.719 4.088 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.165 -5.979 6.293 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.913 -7.560 6.181 1.00 0.00 H new ATOM 0 HG SER A 33 -4.702 -8.442 5.997 1.00 0.00 H new ATOM 523 N ILE A 34 -7.025 -8.255 2.644 1.00 0.00 N ATOM 524 CA ILE A 34 -7.482 -9.485 1.994 1.00 0.00 C ATOM 525 C ILE A 34 -6.308 -10.423 1.709 1.00 0.00 C ATOM 526 O ILE A 34 -6.366 -11.618 1.997 1.00 0.00 O ATOM 527 CB ILE A 34 -8.224 -9.159 0.675 1.00 0.00 C ATOM 528 CG1 ILE A 34 -8.524 -10.455 -0.104 1.00 0.00 C ATOM 529 CG2 ILE A 34 -7.372 -8.234 -0.207 1.00 0.00 C ATOM 530 CD1 ILE A 34 -9.939 -10.404 -0.670 1.00 0.00 C ATOM 0 H ILE A 34 -7.278 -7.397 2.153 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.170 -9.986 2.675 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.159 -8.659 0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.804 -10.579 -0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.417 -11.318 0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.909 -8.015 -1.130 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.173 -7.304 0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.428 -8.725 -0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.144 -11.323 -1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.654 -10.302 0.146 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.031 -9.551 -1.342 1.00 0.00 H new ATOM 542 N CYS A 35 -5.259 -9.874 1.118 1.00 0.00 N ATOM 543 CA CYS A 35 -4.093 -10.676 0.770 1.00 0.00 C ATOM 544 C CYS A 35 -3.500 -11.339 2.014 1.00 0.00 C ATOM 545 O CYS A 35 -4.088 -11.299 3.095 1.00 0.00 O ATOM 546 CB CYS A 35 -3.026 -9.806 0.099 1.00 0.00 C ATOM 547 SG CYS A 35 -3.750 -8.953 -1.326 1.00 0.00 S ATOM 0 H CYS A 35 -5.189 -8.887 0.871 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.415 -11.451 0.075 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.634 -9.079 0.811 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.187 -10.423 -0.221 1.00 0.00 H new ATOM 552 N SER A 36 -2.332 -11.956 1.846 1.00 0.00 N ATOM 553 CA SER A 36 -1.662 -12.638 2.957 1.00 0.00 C ATOM 554 C SER A 36 -1.469 -11.697 4.144 1.00 0.00 C ATOM 555 O SER A 36 -2.043 -11.899 5.214 1.00 0.00 O ATOM 556 CB SER A 36 -0.296 -13.161 2.515 1.00 0.00 C ATOM 557 OG SER A 36 -0.477 -14.181 1.541 1.00 0.00 O ATOM 0 H SER A 36 -1.831 -11.999 0.959 1.00 0.00 H new ATOM 0 HA SER A 36 -2.296 -13.471 3.261 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.301 -12.348 2.101 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.251 -13.553 3.372 1.00 0.00 H new ATOM 0 HG SER A 36 0.397 -14.518 1.254 1.00 0.00 H new ATOM 563 N ASN A 37 -0.651 -10.668 3.944 1.00 0.00 N ATOM 564 CA ASN A 37 -0.387 -9.703 5.008 1.00 0.00 C ATOM 565 C ASN A 37 0.131 -8.392 4.427 1.00 0.00 C ATOM 566 O ASN A 37 1.072 -8.374 3.635 1.00 0.00 O ATOM 567 CB ASN A 37 0.650 -10.258 5.989 1.00 0.00 C ATOM 568 CG ASN A 37 1.914 -10.669 5.234 1.00 0.00 C ATOM 569 OD1 ASN A 37 1.940 -10.684 4.002 1.00 0.00 O ATOM 570 ND2 ASN A 37 2.978 -11.009 5.910 1.00 0.00 N ATOM 0 H ASN A 37 -0.165 -10.481 3.067 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.324 -9.520 5.534 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.893 -9.505 6.739 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.238 -11.116 6.520 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.828 -11.286 5.418 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.960 -10.998 6.930 1.00 0.00 H new ATOM 577 N GLU A 38 -0.498 -7.291 4.834 1.00 0.00 N ATOM 578 CA GLU A 38 -0.098 -5.970 4.355 1.00 0.00 C ATOM 579 C GLU A 38 -0.240 -5.881 2.837 1.00 0.00 C ATOM 580 O GLU A 38 0.680 -6.219 2.092 1.00 0.00 O ATOM 581 CB GLU A 38 1.356 -5.677 4.738 1.00 0.00 C ATOM 582 CG GLU A 38 1.393 -4.967 6.094 1.00 0.00 C ATOM 583 CD GLU A 38 1.500 -6.003 7.207 1.00 0.00 C ATOM 584 OE1 GLU A 38 2.291 -6.921 7.063 1.00 0.00 O ATOM 585 OE2 GLU A 38 0.789 -5.864 8.189 1.00 0.00 O ATOM 0 H GLU A 38 -1.280 -7.287 5.489 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.752 -5.234 4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.925 -6.606 4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.826 -5.054 3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.241 -4.284 6.136 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.493 -4.366 6.227 1.00 0.00 H new ATOM 592 N GLY A 39 -1.403 -5.417 2.391 1.00 0.00 N ATOM 593 CA GLY A 39 -1.660 -5.279 0.960 1.00 0.00 C ATOM 594 C GLY A 39 -1.568 -3.817 0.540 1.00 0.00 C ATOM 595 O GLY A 39 -2.386 -2.989 0.941 1.00 0.00 O ATOM 0 H GLY A 39 -2.176 -5.132 2.992 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.939 -5.872 0.396 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.649 -5.670 0.723 1.00 0.00 H new ATOM 599 N LEU A 40 -0.557 -3.504 -0.267 1.00 0.00 N ATOM 600 CA LEU A 40 -0.362 -2.132 -0.728 1.00 0.00 C ATOM 601 C LEU A 40 -0.313 -2.067 -2.252 1.00 0.00 C ATOM 602 O LEU A 40 0.025 -3.041 -2.924 1.00 0.00 O ATOM 603 CB LEU A 40 0.938 -1.567 -0.159 1.00 0.00 C ATOM 604 CG LEU A 40 1.303 -0.157 -0.620 1.00 0.00 C ATOM 605 CD1 LEU A 40 0.244 0.827 -0.131 1.00 0.00 C ATOM 606 CD2 LEU A 40 2.657 0.232 -0.029 1.00 0.00 C ATOM 0 H LEU A 40 0.132 -4.172 -0.612 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.207 -1.538 -0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.868 -1.567 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.753 -2.240 -0.426 1.00 0.00 H new ATOM 0 HG LEU A 40 1.353 -0.132 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.503 1.834 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.727 0.550 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.198 0.801 0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.921 1.238 -0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.600 0.207 1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.418 -0.471 -0.368 1.00 0.00 H new ATOM 618 N ILE A 41 -0.655 -0.896 -2.781 1.00 0.00 N ATOM 619 CA ILE A 41 -0.652 -0.682 -4.224 1.00 0.00 C ATOM 620 C ILE A 41 -0.178 0.741 -4.531 1.00 0.00 C ATOM 621 O ILE A 41 -0.204 1.618 -3.667 1.00 0.00 O ATOM 622 CB ILE A 41 -2.064 -0.904 -4.794 1.00 0.00 C ATOM 623 CG1 ILE A 41 -2.464 -2.368 -4.578 1.00 0.00 C ATOM 624 CG2 ILE A 41 -2.094 -0.584 -6.296 1.00 0.00 C ATOM 625 CD1 ILE A 41 -3.903 -2.589 -5.050 1.00 0.00 C ATOM 0 H ILE A 41 -0.937 -0.083 -2.234 1.00 0.00 H new ATOM 0 HA ILE A 41 0.029 -1.394 -4.691 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.763 -0.243 -4.282 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.787 -3.024 -5.126 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.374 -2.627 -3.523 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.100 -0.746 -6.683 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.809 0.456 -6.452 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.394 -1.235 -6.821 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.181 -3.631 -4.894 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.575 -1.945 -4.483 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.979 -2.348 -6.110 1.00 0.00 H new ATOM 637 N PHE A 42 0.258 0.956 -5.769 1.00 0.00 N ATOM 638 CA PHE A 42 0.738 2.272 -6.175 1.00 0.00 C ATOM 639 C PHE A 42 0.144 2.680 -7.519 1.00 0.00 C ATOM 640 O PHE A 42 -0.613 1.934 -8.139 1.00 0.00 O ATOM 641 CB PHE A 42 2.258 2.275 -6.315 1.00 0.00 C ATOM 642 CG PHE A 42 2.914 2.343 -4.957 1.00 0.00 C ATOM 643 CD1 PHE A 42 2.976 1.203 -4.151 1.00 0.00 C ATOM 644 CD2 PHE A 42 3.488 3.543 -4.519 1.00 0.00 C ATOM 645 CE1 PHE A 42 3.616 1.261 -2.910 1.00 0.00 C ATOM 646 CE2 PHE A 42 4.122 3.602 -3.275 1.00 0.00 C ATOM 647 CZ PHE A 42 4.188 2.462 -2.473 1.00 0.00 C ATOM 0 H PHE A 42 0.289 0.245 -6.500 1.00 0.00 H new ATOM 0 HA PHE A 42 0.430 2.976 -5.402 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.583 1.375 -6.838 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.572 3.126 -6.920 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.530 0.278 -4.487 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.441 4.423 -5.143 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.669 0.380 -2.288 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.560 4.529 -2.935 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.681 2.506 -1.513 1.00 0.00 H new ATOM 657 N LYS A 43 0.518 3.877 -7.961 1.00 0.00 N ATOM 658 CA LYS A 43 0.048 4.402 -9.240 1.00 0.00 C ATOM 659 C LYS A 43 1.226 4.950 -10.034 1.00 0.00 C ATOM 660 O LYS A 43 2.144 5.537 -9.469 1.00 0.00 O ATOM 661 CB LYS A 43 -0.961 5.530 -9.027 1.00 0.00 C ATOM 662 CG LYS A 43 -1.786 5.719 -10.301 1.00 0.00 C ATOM 663 CD LYS A 43 -2.953 4.729 -10.307 1.00 0.00 C ATOM 664 CE LYS A 43 -3.967 5.144 -11.374 1.00 0.00 C ATOM 665 NZ LYS A 43 -5.264 4.455 -11.121 1.00 0.00 N ATOM 0 H LYS A 43 1.145 4.502 -7.453 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.432 3.588 -9.784 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.616 5.294 -8.188 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.442 6.455 -8.776 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.162 6.741 -10.355 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.159 5.563 -11.179 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.588 3.722 -10.508 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.429 4.706 -9.327 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.108 6.225 -11.357 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.594 4.887 -12.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.954 4.737 -11.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.123 3.425 -11.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.621 4.721 -10.181 1.00 0.00 H new ATOM 679 N LEU A 44 1.198 4.759 -11.349 1.00 0.00 N ATOM 680 CA LEU A 44 2.284 5.252 -12.195 1.00 0.00 C ATOM 681 C LEU A 44 1.732 6.107 -13.331 1.00 0.00 C ATOM 682 O LEU A 44 0.529 6.117 -13.593 1.00 0.00 O ATOM 683 CB LEU A 44 3.079 4.086 -12.785 1.00 0.00 C ATOM 684 CG LEU A 44 3.471 2.995 -11.786 1.00 0.00 C ATOM 685 CD1 LEU A 44 2.276 2.071 -11.542 1.00 0.00 C ATOM 686 CD2 LEU A 44 4.636 2.181 -12.353 1.00 0.00 C ATOM 0 H LEU A 44 0.451 4.276 -11.847 1.00 0.00 H new ATOM 0 HA LEU A 44 2.943 5.859 -11.573 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.491 3.632 -13.582 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.986 4.480 -13.243 1.00 0.00 H new ATOM 0 HG LEU A 44 3.771 3.456 -10.845 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.556 1.294 -10.830 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.445 2.650 -11.139 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.975 1.610 -12.483 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.916 1.403 -11.642 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.334 1.721 -13.294 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.488 2.838 -12.527 1.00 0.00 H new ATOM 698 N LYS A 45 2.628 6.825 -14.003 1.00 0.00 N ATOM 699 CA LYS A 45 2.226 7.687 -15.113 1.00 0.00 C ATOM 700 C LYS A 45 2.074 6.878 -16.403 1.00 0.00 C ATOM 701 O LYS A 45 1.352 7.279 -17.317 1.00 0.00 O ATOM 702 CB LYS A 45 3.264 8.802 -15.327 1.00 0.00 C ATOM 703 CG LYS A 45 2.579 10.172 -15.275 1.00 0.00 C ATOM 704 CD LYS A 45 1.686 10.346 -16.506 1.00 0.00 C ATOM 705 CE LYS A 45 0.676 11.466 -16.250 1.00 0.00 C ATOM 706 NZ LYS A 45 1.395 12.765 -16.126 1.00 0.00 N ATOM 0 H LYS A 45 3.628 6.828 -13.802 1.00 0.00 H new ATOM 0 HA LYS A 45 1.264 8.132 -14.861 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.037 8.743 -14.560 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.759 8.670 -16.289 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.984 10.258 -14.366 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.328 10.963 -15.242 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.294 10.583 -17.379 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.164 9.414 -16.724 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.045 11.514 -17.066 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.113 11.261 -15.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.704 13.542 -16.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.964 12.765 -15.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.019 12.896 -16.948 1.00 0.00 H new ATOM 720 N ARG A 46 2.756 5.733 -16.471 1.00 0.00 N ATOM 721 CA ARG A 46 2.681 4.878 -17.656 1.00 0.00 C ATOM 722 C ARG A 46 1.230 4.516 -17.989 1.00 0.00 C ATOM 723 O ARG A 46 0.910 4.180 -19.128 1.00 0.00 O ATOM 724 CB ARG A 46 3.473 3.588 -17.432 1.00 0.00 C ATOM 725 CG ARG A 46 4.058 3.108 -18.763 1.00 0.00 C ATOM 726 CD ARG A 46 5.489 3.629 -18.909 1.00 0.00 C ATOM 727 NE ARG A 46 6.003 3.359 -20.254 1.00 0.00 N ATOM 728 CZ ARG A 46 7.143 3.902 -20.704 1.00 0.00 C ATOM 729 NH1 ARG A 46 7.858 4.705 -19.951 1.00 0.00 N ATOM 730 NH2 ARG A 46 7.551 3.626 -21.912 1.00 0.00 N ATOM 0 H ARG A 46 3.360 5.380 -15.729 1.00 0.00 H new ATOM 0 HA ARG A 46 3.108 5.436 -18.489 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.273 3.761 -16.712 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.825 2.820 -17.010 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.050 2.019 -18.804 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.444 3.463 -19.591 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.513 4.701 -18.713 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.131 3.155 -18.167 1.00 0.00 H new ATOM 0 HE ARG A 46 5.476 2.738 -20.868 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.549 4.926 -19.004 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.723 5.108 -20.312 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.004 3.002 -22.505 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.417 4.034 -22.264 1.00 0.00 H new ATOM 744 N GLY A 47 0.357 4.587 -16.983 1.00 0.00 N ATOM 745 CA GLY A 47 -1.051 4.263 -17.190 1.00 0.00 C ATOM 746 C GLY A 47 -1.394 2.925 -16.543 1.00 0.00 C ATOM 747 O GLY A 47 -2.157 2.130 -17.093 1.00 0.00 O ATOM 0 H GLY A 47 0.597 4.862 -16.031 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.677 5.049 -16.767 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.268 4.223 -18.258 1.00 0.00 H new ATOM 751 N LYS A 48 -0.820 2.687 -15.368 1.00 0.00 N ATOM 752 CA LYS A 48 -1.068 1.442 -14.648 1.00 0.00 C ATOM 753 C LYS A 48 -0.728 1.606 -13.169 1.00 0.00 C ATOM 754 O LYS A 48 -0.366 2.693 -12.717 1.00 0.00 O ATOM 755 CB LYS A 48 -0.220 0.309 -15.232 1.00 0.00 C ATOM 756 CG LYS A 48 -1.000 -0.388 -16.349 1.00 0.00 C ATOM 757 CD LYS A 48 -0.636 -1.873 -16.376 1.00 0.00 C ATOM 758 CE LYS A 48 -1.567 -2.610 -17.341 1.00 0.00 C ATOM 759 NZ LYS A 48 -2.767 -3.095 -16.601 1.00 0.00 N ATOM 0 H LYS A 48 -0.186 3.333 -14.897 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.125 1.196 -14.753 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.718 0.706 -15.621 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.037 -0.407 -14.451 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.071 -0.268 -16.188 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.769 0.072 -17.310 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.401 -1.998 -16.688 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.722 -2.297 -15.376 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.870 -1.945 -18.150 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.044 -3.450 -17.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.400 -3.596 -17.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.470 -3.743 -15.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.270 -2.285 -16.186 1.00 0.00 H new ATOM 773 N GLU A 49 -0.852 0.514 -12.422 1.00 0.00 N ATOM 774 CA GLU A 49 -0.558 0.545 -10.991 1.00 0.00 C ATOM 775 C GLU A 49 0.546 -0.450 -10.651 1.00 0.00 C ATOM 776 O GLU A 49 1.095 -1.117 -11.528 1.00 0.00 O ATOM 777 CB GLU A 49 -1.808 0.194 -10.180 1.00 0.00 C ATOM 778 CG GLU A 49 -2.881 1.263 -10.401 1.00 0.00 C ATOM 779 CD GLU A 49 -4.259 0.611 -10.404 1.00 0.00 C ATOM 780 OE1 GLU A 49 -4.651 0.106 -11.443 1.00 0.00 O ATOM 781 OE2 GLU A 49 -4.902 0.625 -9.368 1.00 0.00 O ATOM 0 H GLU A 49 -1.150 -0.394 -12.777 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.230 1.553 -10.738 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.186 -0.783 -10.481 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.560 0.127 -9.121 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.826 2.016 -9.615 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.708 1.776 -11.347 1.00 0.00 H new ATOM 788 N ALA A 50 0.862 -0.539 -9.364 1.00 0.00 N ATOM 789 CA ALA A 50 1.901 -1.453 -8.901 1.00 0.00 C ATOM 790 C ALA A 50 1.519 -2.027 -7.539 1.00 0.00 C ATOM 791 O ALA A 50 0.914 -1.347 -6.716 1.00 0.00 O ATOM 792 CB ALA A 50 3.239 -0.717 -8.787 1.00 0.00 C ATOM 0 H ALA A 50 0.417 0.007 -8.626 1.00 0.00 H new ATOM 0 HA ALA A 50 1.999 -2.265 -9.622 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.007 -1.409 -8.441 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.521 -0.321 -9.763 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.143 0.104 -8.076 1.00 0.00 H new ATOM 798 N CYS A 51 1.868 -3.290 -7.316 1.00 0.00 N ATOM 799 CA CYS A 51 1.541 -3.944 -6.049 1.00 0.00 C ATOM 800 C CYS A 51 2.703 -3.857 -5.064 1.00 0.00 C ATOM 801 O CYS A 51 3.870 -3.793 -5.451 1.00 0.00 O ATOM 802 CB CYS A 51 1.193 -5.415 -6.284 1.00 0.00 C ATOM 803 SG CYS A 51 -0.530 -5.550 -6.830 1.00 0.00 S ATOM 0 H CYS A 51 2.370 -3.876 -7.983 1.00 0.00 H new ATOM 0 HA CYS A 51 0.682 -3.425 -5.625 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.858 -5.841 -7.035 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.341 -5.985 -5.367 1.00 0.00 H new ATOM 808 N ALA A 52 2.356 -3.861 -3.779 1.00 0.00 N ATOM 809 CA ALA A 52 3.353 -3.786 -2.715 1.00 0.00 C ATOM 810 C ALA A 52 2.752 -4.297 -1.408 1.00 0.00 C ATOM 811 O ALA A 52 1.588 -4.697 -1.363 1.00 0.00 O ATOM 812 CB ALA A 52 3.831 -2.346 -2.522 1.00 0.00 C ATOM 0 H ALA A 52 1.392 -3.915 -3.450 1.00 0.00 H new ATOM 0 HA ALA A 52 4.205 -4.405 -2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.573 -2.313 -1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.277 -1.983 -3.448 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.984 -1.714 -2.255 1.00 0.00 H new ATOM 818 N LEU A 53 3.551 -4.283 -0.345 1.00 0.00 N ATOM 819 CA LEU A 53 3.072 -4.755 0.954 1.00 0.00 C ATOM 820 C LEU A 53 2.330 -3.639 1.692 1.00 0.00 C ATOM 821 O LEU A 53 1.102 -3.607 1.709 1.00 0.00 O ATOM 822 CB LEU A 53 4.242 -5.258 1.810 1.00 0.00 C ATOM 823 CG LEU A 53 4.499 -6.767 1.742 1.00 0.00 C ATOM 824 CD1 LEU A 53 3.214 -7.521 2.093 1.00 0.00 C ATOM 825 CD2 LEU A 53 4.941 -7.146 0.327 1.00 0.00 C ATOM 0 H LEU A 53 4.517 -3.956 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 53 2.382 -5.581 0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.148 -4.737 1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.056 -4.984 2.848 1.00 0.00 H new ATOM 0 HG LEU A 53 5.282 -7.034 2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.397 -8.594 2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.898 -7.252 3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.430 -7.254 1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.124 -8.219 0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.158 -6.879 -0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.856 -6.610 0.076 1.00 0.00 H new ATOM 837 N ASP A 54 3.096 -2.727 2.294 1.00 0.00 N ATOM 838 CA ASP A 54 2.526 -1.596 3.038 1.00 0.00 C ATOM 839 C ASP A 54 3.641 -0.808 3.723 1.00 0.00 C ATOM 840 O ASP A 54 3.813 0.386 3.481 1.00 0.00 O ATOM 841 CB ASP A 54 1.521 -2.071 4.101 1.00 0.00 C ATOM 842 CG ASP A 54 0.889 -0.867 4.798 1.00 0.00 C ATOM 843 OD1 ASP A 54 0.054 -0.223 4.183 1.00 0.00 O ATOM 844 OD2 ASP A 54 1.250 -0.609 5.934 1.00 0.00 O ATOM 0 H ASP A 54 4.116 -2.748 2.282 1.00 0.00 H new ATOM 0 HA ASP A 54 2.002 -0.961 2.324 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.746 -2.680 3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.025 -2.702 4.833 1.00 0.00 H new ATOM 849 N THR A 55 4.393 -1.488 4.585 1.00 0.00 N ATOM 850 CA THR A 55 5.484 -0.835 5.304 1.00 0.00 C ATOM 851 C THR A 55 6.823 -1.500 4.970 1.00 0.00 C ATOM 852 O THR A 55 7.589 -1.881 5.856 1.00 0.00 O ATOM 853 CB THR A 55 5.245 -0.907 6.815 1.00 0.00 C ATOM 854 OG1 THR A 55 6.369 -0.370 7.497 1.00 0.00 O ATOM 855 CG2 THR A 55 5.038 -2.362 7.234 1.00 0.00 C ATOM 0 H THR A 55 4.270 -2.477 4.801 1.00 0.00 H new ATOM 0 HA THR A 55 5.516 0.209 4.993 1.00 0.00 H new ATOM 0 HB THR A 55 4.356 -0.330 7.069 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.162 -0.910 7.297 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.868 -2.410 8.310 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.174 -2.772 6.711 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.924 -2.943 6.980 1.00 0.00 H new ATOM 863 N VAL A 56 7.091 -1.634 3.675 1.00 0.00 N ATOM 864 CA VAL A 56 8.334 -2.255 3.215 1.00 0.00 C ATOM 865 C VAL A 56 9.549 -1.424 3.630 1.00 0.00 C ATOM 866 O VAL A 56 10.585 -1.959 4.028 1.00 0.00 O ATOM 867 CB VAL A 56 8.331 -2.390 1.686 1.00 0.00 C ATOM 868 CG1 VAL A 56 7.162 -3.274 1.250 1.00 0.00 C ATOM 869 CG2 VAL A 56 8.180 -1.006 1.042 1.00 0.00 C ATOM 0 H VAL A 56 6.470 -1.324 2.927 1.00 0.00 H new ATOM 0 HA VAL A 56 8.398 -3.241 3.675 1.00 0.00 H new ATOM 0 HB VAL A 56 9.271 -2.840 1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.162 -3.368 0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.265 -4.261 1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.224 -2.823 1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.179 -1.108 -0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.242 -0.555 1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.012 -0.371 1.346 1.00 0.00 H new ATOM 879 N GLY A 57 9.409 -0.111 3.504 1.00 0.00 N ATOM 880 CA GLY A 57 10.491 0.812 3.835 1.00 0.00 C ATOM 881 C GLY A 57 10.536 1.923 2.797 1.00 0.00 C ATOM 882 O GLY A 57 10.406 3.103 3.120 1.00 0.00 O ATOM 0 H GLY A 57 8.556 0.341 3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.335 1.232 4.829 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.443 0.282 3.859 1.00 0.00 H new ATOM 886 N TRP A 58 10.690 1.525 1.536 1.00 0.00 N ATOM 887 CA TRP A 58 10.714 2.490 0.441 1.00 0.00 C ATOM 888 C TRP A 58 9.315 3.086 0.217 1.00 0.00 C ATOM 889 O TRP A 58 9.158 4.073 -0.499 1.00 0.00 O ATOM 890 CB TRP A 58 11.224 1.829 -0.851 1.00 0.00 C ATOM 891 CG TRP A 58 10.277 0.758 -1.311 1.00 0.00 C ATOM 892 CD1 TRP A 58 10.436 -0.571 -1.113 1.00 0.00 C ATOM 893 CD2 TRP A 58 9.040 0.915 -2.057 1.00 0.00 C ATOM 894 NE1 TRP A 58 9.364 -1.237 -1.685 1.00 0.00 N ATOM 895 CE2 TRP A 58 8.479 -0.363 -2.281 1.00 0.00 C ATOM 896 CE3 TRP A 58 8.358 2.033 -2.554 1.00 0.00 C ATOM 897 CZ2 TRP A 58 7.281 -0.521 -2.977 1.00 0.00 C ATOM 898 CZ3 TRP A 58 7.153 1.881 -3.257 1.00 0.00 C ATOM 899 CH2 TRP A 58 6.616 0.606 -3.469 1.00 0.00 C ATOM 0 H TRP A 58 10.799 0.552 1.250 1.00 0.00 H new ATOM 0 HA TRP A 58 11.396 3.296 0.711 1.00 0.00 H new ATOM 0 HB2 TRP A 58 11.335 2.582 -1.631 1.00 0.00 H new ATOM 0 HB3 TRP A 58 12.211 1.399 -0.680 1.00 0.00 H new ATOM 0 HD1 TRP A 58 11.262 -1.036 -0.595 1.00 0.00 H new ATOM 0 HE1 TRP A 58 9.244 -2.250 -1.667 1.00 0.00 H new ATOM 0 HE3 TRP A 58 8.763 3.021 -2.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 6.870 -1.507 -3.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 6.638 2.751 -3.636 1.00 0.00 H new ATOM 0 HH2 TRP A 58 5.689 0.493 -4.012 1.00 0.00 H new ATOM 910 N VAL A 59 8.301 2.490 0.850 1.00 0.00 N ATOM 911 CA VAL A 59 6.941 2.992 0.725 1.00 0.00 C ATOM 912 C VAL A 59 6.782 4.228 1.612 1.00 0.00 C ATOM 913 O VAL A 59 6.085 5.175 1.261 1.00 0.00 O ATOM 914 CB VAL A 59 5.937 1.897 1.150 1.00 0.00 C ATOM 915 CG1 VAL A 59 4.518 2.468 1.292 1.00 0.00 C ATOM 916 CG2 VAL A 59 5.927 0.778 0.102 1.00 0.00 C ATOM 0 H VAL A 59 8.399 1.669 1.447 1.00 0.00 H new ATOM 0 HA VAL A 59 6.742 3.263 -0.312 1.00 0.00 H new ATOM 0 HB VAL A 59 6.250 1.505 2.118 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.834 1.674 1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.516 3.253 2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.195 2.883 0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.219 0.005 0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.631 1.187 -0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.924 0.345 0.022 1.00 0.00 H new ATOM 926 N GLN A 60 7.430 4.190 2.775 1.00 0.00 N ATOM 927 CA GLN A 60 7.349 5.302 3.727 1.00 0.00 C ATOM 928 C GLN A 60 7.810 6.608 3.092 1.00 0.00 C ATOM 929 O GLN A 60 7.169 7.643 3.256 1.00 0.00 O ATOM 930 CB GLN A 60 8.202 5.040 4.983 1.00 0.00 C ATOM 931 CG GLN A 60 8.063 3.584 5.474 1.00 0.00 C ATOM 932 CD GLN A 60 6.594 3.166 5.535 1.00 0.00 C ATOM 933 OE1 GLN A 60 6.117 2.406 4.590 1.00 0.00 O flip ATOM 934 NE2 GLN A 60 5.867 3.536 6.458 1.00 0.00 N flip ATOM 0 H GLN A 60 8.012 3.410 3.081 1.00 0.00 H new ATOM 0 HA GLN A 60 6.301 5.384 4.015 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.248 5.251 4.763 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.899 5.722 5.777 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.607 2.917 4.805 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.515 3.484 6.461 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.243 4.131 7.196 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.889 3.248 6.484 1.00 0.00 H new ATOM 943 N ARG A 61 8.926 6.561 2.368 1.00 0.00 N ATOM 944 CA ARG A 61 9.435 7.773 1.728 1.00 0.00 C ATOM 945 C ARG A 61 8.533 8.172 0.557 1.00 0.00 C ATOM 946 O ARG A 61 8.411 9.352 0.230 1.00 0.00 O ATOM 947 CB ARG A 61 10.884 7.583 1.252 1.00 0.00 C ATOM 948 CG ARG A 61 10.956 6.483 0.198 1.00 0.00 C ATOM 949 CD ARG A 61 12.332 5.815 0.249 1.00 0.00 C ATOM 950 NE ARG A 61 12.541 5.159 1.542 1.00 0.00 N ATOM 951 CZ ARG A 61 13.761 4.808 1.974 1.00 0.00 C ATOM 952 NH1 ARG A 61 14.831 5.034 1.250 1.00 0.00 N ATOM 953 NH2 ARG A 61 13.886 4.227 3.136 1.00 0.00 N ATOM 0 H ARG A 61 9.483 5.721 2.212 1.00 0.00 H new ATOM 0 HA ARG A 61 9.429 8.575 2.466 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.263 8.517 0.838 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.521 7.327 2.098 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.175 5.744 0.375 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.780 6.902 -0.793 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.416 5.083 -0.554 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.110 6.560 0.084 1.00 0.00 H new ATOM 0 HE ARG A 61 11.733 4.963 2.133 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.745 5.485 0.339 1.00 0.00 H new ATOM 0 HH12 ARG A 61 15.750 4.759 1.598 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.060 4.044 3.706 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.809 3.956 3.474 1.00 0.00 H new ATOM 967 N HIS A 62 7.878 7.181 -0.053 1.00 0.00 N ATOM 968 CA HIS A 62 6.967 7.455 -1.160 1.00 0.00 C ATOM 969 C HIS A 62 5.665 8.041 -0.629 1.00 0.00 C ATOM 970 O HIS A 62 5.136 9.014 -1.167 1.00 0.00 O ATOM 971 CB HIS A 62 6.648 6.175 -1.936 1.00 0.00 C ATOM 972 CG HIS A 62 7.746 5.883 -2.920 1.00 0.00 C ATOM 973 ND1 HIS A 62 9.069 5.739 -2.539 1.00 0.00 N ATOM 974 CD2 HIS A 62 7.728 5.716 -4.283 1.00 0.00 C ATOM 975 CE1 HIS A 62 9.787 5.500 -3.652 1.00 0.00 C ATOM 976 NE2 HIS A 62 9.018 5.472 -4.742 1.00 0.00 N ATOM 0 H HIS A 62 7.961 6.196 0.198 1.00 0.00 H new ATOM 0 HA HIS A 62 7.455 8.166 -1.827 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.536 5.339 -1.245 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.699 6.285 -2.460 1.00 0.00 H new ATOM 0 HD2 HIS A 62 6.846 5.766 -4.904 1.00 0.00 H new ATOM 0 HE1 HIS A 62 10.856 5.349 -3.662 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.313 5.307 -5.704 1.00 0.00 H new ATOM 984 N ARG A 63 5.162 7.437 0.441 1.00 0.00 N ATOM 985 CA ARG A 63 3.920 7.900 1.057 1.00 0.00 C ATOM 986 C ARG A 63 4.176 9.142 1.912 1.00 0.00 C ATOM 987 O ARG A 63 3.271 9.939 2.153 1.00 0.00 O ATOM 988 CB ARG A 63 3.283 6.800 1.917 1.00 0.00 C ATOM 989 CG ARG A 63 4.270 6.306 2.979 1.00 0.00 C ATOM 990 CD ARG A 63 3.879 6.862 4.351 1.00 0.00 C ATOM 991 NE ARG A 63 2.947 5.958 5.028 1.00 0.00 N ATOM 992 CZ ARG A 63 2.336 6.290 6.175 1.00 0.00 C ATOM 993 NH1 ARG A 63 2.548 7.452 6.746 1.00 0.00 N ATOM 994 NH2 ARG A 63 1.515 5.443 6.732 1.00 0.00 N ATOM 0 H ARG A 63 5.589 6.632 0.899 1.00 0.00 H new ATOM 0 HA ARG A 63 3.228 8.155 0.254 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.383 7.183 2.399 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.976 5.968 1.284 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.274 5.216 3.006 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.281 6.622 2.723 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.771 6.997 4.962 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.421 7.844 4.234 1.00 0.00 H new ATOM 0 HE ARG A 63 2.756 5.046 4.614 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.187 8.122 6.318 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.074 7.686 7.618 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.343 4.538 6.295 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.046 5.686 7.604 1.00 0.00 H new ATOM 1008 N LYS A 64 5.423 9.316 2.349 1.00 0.00 N ATOM 1009 CA LYS A 64 5.777 10.483 3.147 1.00 0.00 C ATOM 1010 C LYS A 64 5.672 11.740 2.288 1.00 0.00 C ATOM 1011 O LYS A 64 5.355 12.824 2.778 1.00 0.00 O ATOM 1012 CB LYS A 64 7.207 10.362 3.680 1.00 0.00 C ATOM 1013 CG LYS A 64 7.184 9.704 5.062 1.00 0.00 C ATOM 1014 CD LYS A 64 8.592 9.229 5.424 1.00 0.00 C ATOM 1015 CE LYS A 64 9.412 10.411 5.944 1.00 0.00 C ATOM 1016 NZ LYS A 64 9.024 10.704 7.352 1.00 0.00 N ATOM 0 H LYS A 64 6.193 8.673 2.166 1.00 0.00 H new ATOM 0 HA LYS A 64 5.089 10.545 3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.813 9.770 2.994 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.667 11.348 3.743 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.825 10.413 5.808 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.493 8.861 5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.540 8.448 6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.076 8.793 4.550 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.476 10.181 5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.243 11.288 5.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.755 11.294 7.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.115 11.210 7.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.930 9.812 7.879 1.00 0.00 H new ATOM 1030 N MET A 65 5.941 11.576 0.991 1.00 0.00 N ATOM 1031 CA MET A 65 5.875 12.696 0.056 1.00 0.00 C ATOM 1032 C MET A 65 4.535 12.698 -0.673 1.00 0.00 C ATOM 1033 O MET A 65 3.876 13.732 -0.793 1.00 0.00 O ATOM 1034 CB MET A 65 7.002 12.592 -0.973 1.00 0.00 C ATOM 1035 CG MET A 65 8.353 12.703 -0.263 1.00 0.00 C ATOM 1036 SD MET A 65 8.915 14.424 -0.281 1.00 0.00 S ATOM 1037 CE MET A 65 10.395 14.169 -1.291 1.00 0.00 C ATOM 0 H MET A 65 6.204 10.686 0.569 1.00 0.00 H new ATOM 0 HA MET A 65 5.982 13.621 0.622 1.00 0.00 H new ATOM 0 HB2 MET A 65 6.936 11.643 -1.506 1.00 0.00 H new ATOM 0 HB3 MET A 65 6.904 13.383 -1.717 1.00 0.00 H new ATOM 0 HG2 MET A 65 8.264 12.350 0.765 1.00 0.00 H new ATOM 0 HG3 MET A 65 9.087 12.066 -0.756 1.00 0.00 H new ATOM 0 HE1 MET A 65 10.908 15.120 -1.432 1.00 0.00 H new ATOM 0 HE2 MET A 65 11.062 13.468 -0.789 1.00 0.00 H new ATOM 0 HE3 MET A 65 10.108 13.764 -2.262 1.00 0.00 H new ATOM 1047 N LEU A 66 4.140 11.524 -1.161 1.00 0.00 N ATOM 1048 CA LEU A 66 2.876 11.390 -1.881 1.00 0.00 C ATOM 1049 C LEU A 66 1.753 11.034 -0.913 1.00 0.00 C ATOM 1050 O LEU A 66 1.970 10.916 0.291 1.00 0.00 O ATOM 1051 CB LEU A 66 2.979 10.301 -2.951 1.00 0.00 C ATOM 1052 CG LEU A 66 3.851 10.654 -4.160 1.00 0.00 C ATOM 1053 CD1 LEU A 66 3.280 11.891 -4.857 1.00 0.00 C ATOM 1054 CD2 LEU A 66 5.279 10.947 -3.697 1.00 0.00 C ATOM 0 H LEU A 66 4.672 10.658 -1.072 1.00 0.00 H new ATOM 0 HA LEU A 66 2.657 12.344 -2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.375 9.397 -2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.975 10.065 -3.304 1.00 0.00 H new ATOM 0 HG LEU A 66 3.861 9.814 -4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.900 12.143 -5.717 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.263 11.684 -5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.269 12.729 -4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.897 11.198 -4.559 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.271 11.785 -3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.688 10.067 -3.201 1.00 0.00 H new ATOM 1066 N ARG A 67 0.547 10.868 -1.449 1.00 0.00 N ATOM 1067 CA ARG A 67 -0.602 10.531 -0.612 1.00 0.00 C ATOM 1068 C ARG A 67 -1.529 9.558 -1.332 1.00 0.00 C ATOM 1069 O ARG A 67 -1.265 9.146 -2.462 1.00 0.00 O ATOM 1070 CB ARG A 67 -1.388 11.791 -0.246 1.00 0.00 C ATOM 1071 CG ARG A 67 -0.447 12.811 0.398 1.00 0.00 C ATOM 1072 CD ARG A 67 -1.234 14.066 0.776 1.00 0.00 C ATOM 1073 NE ARG A 67 -0.366 15.246 0.760 1.00 0.00 N ATOM 1074 CZ ARG A 67 0.018 15.832 -0.382 1.00 0.00 C ATOM 1075 NH1 ARG A 67 -0.371 15.372 -1.547 1.00 0.00 N ATOM 1076 NH2 ARG A 67 0.792 16.882 -0.335 1.00 0.00 N ATOM 0 H ARG A 67 0.341 10.959 -2.444 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.224 10.062 0.296 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.848 12.217 -1.138 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.196 11.541 0.441 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.020 12.381 1.284 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.356 13.067 -0.293 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.060 14.207 0.079 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.670 13.943 1.767 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.044 15.634 1.647 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.977 14.553 -1.595 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.067 15.833 -2.405 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.099 17.249 0.566 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.090 17.335 -1.199 1.00 0.00 H new ATOM 1090 N HIS A 68 -2.621 9.194 -0.659 1.00 0.00 N ATOM 1091 CA HIS A 68 -3.596 8.262 -1.228 1.00 0.00 C ATOM 1092 C HIS A 68 -4.060 8.719 -2.610 1.00 0.00 C ATOM 1093 O HIS A 68 -4.520 9.847 -2.790 1.00 0.00 O ATOM 1094 CB HIS A 68 -4.813 8.126 -0.305 1.00 0.00 C ATOM 1095 CG HIS A 68 -5.457 9.471 -0.078 1.00 0.00 C ATOM 1096 ND1 HIS A 68 -5.006 10.758 -0.258 1.00 0.00 N flip ATOM 1097 CD2 HIS A 68 -6.750 9.591 0.406 1.00 0.00 C flip ATOM 1098 CE1 HIS A 68 -6.001 11.658 0.109 1.00 0.00 C flip ATOM 1099 NE2 HIS A 68 -7.031 10.903 0.500 1.00 0.00 N flip ATOM 0 H HIS A 68 -2.852 9.528 0.276 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.103 7.295 -1.326 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.536 7.440 -0.746 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.507 7.697 0.649 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.413 8.777 0.662 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -5.951 12.737 0.083 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -7.921 11.276 0.829 1.00 0.00 H new ATOM 1107 N CYS A 69 -3.927 7.825 -3.584 1.00 0.00 N ATOM 1108 CA CYS A 69 -4.327 8.132 -4.957 1.00 0.00 C ATOM 1109 C CYS A 69 -5.814 8.506 -5.018 1.00 0.00 C ATOM 1110 O CYS A 69 -6.595 8.094 -4.162 1.00 0.00 O ATOM 1111 CB CYS A 69 -4.079 6.929 -5.866 1.00 0.00 C ATOM 1112 SG CYS A 69 -2.341 6.439 -5.760 1.00 0.00 S ATOM 0 H CYS A 69 -3.548 6.887 -3.452 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.729 8.977 -5.298 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -4.720 6.099 -5.571 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.335 7.179 -6.896 1.00 0.00 H new ATOM 1117 N PRO A 70 -6.228 9.291 -6.032 1.00 0.00 N ATOM 1118 CA PRO A 70 -7.637 9.704 -6.179 1.00 0.00 C ATOM 1119 C PRO A 70 -8.489 8.699 -6.962 1.00 0.00 C ATOM 1120 O PRO A 70 -9.543 9.047 -7.493 1.00 0.00 O ATOM 1121 CB PRO A 70 -7.504 11.002 -6.967 1.00 0.00 C ATOM 1122 CG PRO A 70 -6.178 10.938 -7.722 1.00 0.00 C ATOM 1123 CD PRO A 70 -5.335 9.826 -7.085 1.00 0.00 C ATOM 0 HA PRO A 70 -8.141 9.791 -5.217 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.337 11.118 -7.661 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.525 11.862 -6.298 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -6.349 10.732 -8.779 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.658 11.894 -7.664 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.063 9.060 -7.811 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.406 10.213 -6.667 1.00 0.00 H new ATOM 1131 N SER A 71 -8.027 7.451 -7.030 1.00 0.00 N ATOM 1132 CA SER A 71 -8.761 6.412 -7.755 1.00 0.00 C ATOM 1133 C SER A 71 -10.171 6.249 -7.190 1.00 0.00 C ATOM 1134 O SER A 71 -11.146 6.155 -7.937 1.00 0.00 O ATOM 1135 CB SER A 71 -8.030 5.073 -7.653 1.00 0.00 C ATOM 1136 OG SER A 71 -8.253 4.326 -8.842 1.00 0.00 O ATOM 0 H SER A 71 -7.158 7.136 -6.598 1.00 0.00 H new ATOM 0 HA SER A 71 -8.824 6.718 -8.799 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.962 5.238 -7.508 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.387 4.516 -6.787 1.00 0.00 H new ATOM 0 HG SER A 71 -7.785 3.467 -8.782 1.00 0.00 H new ATOM 1142 N LYS A 72 -10.266 6.218 -5.863 1.00 0.00 N ATOM 1143 CA LYS A 72 -11.562 6.066 -5.202 1.00 0.00 C ATOM 1144 C LYS A 72 -12.220 4.752 -5.610 1.00 0.00 C ATOM 1145 O LYS A 72 -11.686 4.001 -6.426 1.00 0.00 O ATOM 1146 CB LYS A 72 -12.493 7.225 -5.570 1.00 0.00 C ATOM 1147 CG LYS A 72 -12.231 8.412 -4.638 1.00 0.00 C ATOM 1148 CD LYS A 72 -13.238 8.391 -3.486 1.00 0.00 C ATOM 1149 CE LYS A 72 -14.632 8.728 -4.020 1.00 0.00 C ATOM 1150 NZ LYS A 72 -15.442 9.352 -2.936 1.00 0.00 N ATOM 0 H LYS A 72 -9.471 6.295 -5.229 1.00 0.00 H new ATOM 0 HA LYS A 72 -11.390 6.067 -4.126 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.330 7.521 -6.606 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.533 6.909 -5.489 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.215 8.363 -4.247 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.315 9.347 -5.191 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.246 7.409 -3.014 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.946 9.110 -2.721 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.554 9.409 -4.868 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.123 7.824 -4.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.389 9.581 -3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.527 8.688 -2.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.976 10.223 -2.612 1.00 0.00 H new ATOM 1164 N ARG A 73 -13.388 4.484 -5.032 1.00 0.00 N ATOM 1165 CA ARG A 73 -14.116 3.260 -5.339 1.00 0.00 C ATOM 1166 C ARG A 73 -14.567 3.259 -6.797 1.00 0.00 C ATOM 1167 O ARG A 73 -14.295 4.196 -7.547 1.00 0.00 O ATOM 1168 CB ARG A 73 -15.342 3.134 -4.435 1.00 0.00 C ATOM 1169 CG ARG A 73 -16.203 4.395 -4.557 1.00 0.00 C ATOM 1170 CD ARG A 73 -17.583 4.133 -3.948 1.00 0.00 C ATOM 1171 NE ARG A 73 -18.622 4.834 -4.706 1.00 0.00 N ATOM 1172 CZ ARG A 73 -18.823 6.154 -4.590 1.00 0.00 C ATOM 1173 NH1 ARG A 73 -18.090 6.885 -3.784 1.00 0.00 N ATOM 1174 NH2 ARG A 73 -19.764 6.723 -5.292 1.00 0.00 N ATOM 0 H ARG A 73 -13.846 5.093 -4.354 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.449 2.415 -5.168 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -15.924 2.256 -4.715 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.030 2.993 -3.400 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.721 5.228 -4.046 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.304 4.679 -5.604 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.788 3.062 -3.944 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -17.597 4.464 -2.909 1.00 0.00 H new ATOM 0 HE ARG A 73 -19.212 4.300 -5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.351 6.450 -3.231 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.259 7.888 -3.710 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -20.339 6.164 -5.922 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.925 7.727 -5.211 1.00 0.00 H new ATOM 1188 N LYS A 74 -15.258 2.193 -7.188 1.00 0.00 N ATOM 1189 CA LYS A 74 -15.745 2.076 -8.561 1.00 0.00 C ATOM 1190 C LYS A 74 -17.196 1.604 -8.572 1.00 0.00 C ATOM 1191 O LYS A 74 -17.527 0.753 -7.764 1.00 0.00 O ATOM 1192 CB LYS A 74 -14.890 1.080 -9.348 1.00 0.00 C ATOM 1193 CG LYS A 74 -15.182 1.225 -10.843 1.00 0.00 C ATOM 1194 CD LYS A 74 -14.469 2.466 -11.384 1.00 0.00 C ATOM 1195 CE LYS A 74 -13.030 2.103 -11.759 1.00 0.00 C ATOM 1196 NZ LYS A 74 -12.257 3.350 -12.026 1.00 0.00 N ATOM 1197 OXT LYS A 74 -17.952 2.100 -9.390 1.00 0.00 O ATOM 0 H LYS A 74 -15.492 1.406 -6.583 1.00 0.00 H new ATOM 0 HA LYS A 74 -15.679 3.059 -9.028 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.833 1.260 -9.154 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.105 0.063 -9.022 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.845 0.337 -11.378 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -16.256 1.309 -11.008 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.997 2.851 -12.256 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.473 3.257 -10.634 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.563 1.539 -10.951 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.023 1.462 -12.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.279 3.104 -12.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.699 3.871 -12.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.253 3.945 -11.173 1.00 0.00 H new TER 1211 LYS A 74