USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=19 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+ 139:sc= 0.214 (180deg=0.00819) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0896 USER MOD Single : A 2 LYS NZ :NH3+ 134:sc= -0.183 (180deg=-1.06) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 172:sc= 0 (180deg=-0.0781) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0452 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.249 X(o=-0.25,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.365 K(o=-0.36,f=-1.3) USER MOD Single : A 31 THR OG1 : rot -72:sc= 0.588 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 43 LYS NZ :NH3+ -157:sc= -0.254 (180deg=-0.868) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN :FLIP amide:sc= -0.353 F(o=-2.3,f=-0.35) USER MOD Single : A 62 HIS : no HD1:sc= -10.8! C(o=-11!,f=-14!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -1.11 F(o=-2.8,f=-1.1) USER MOD Single : A 71 SER OG : rot 180:sc= -0.169 USER MOD Single : A 72 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00562) USER MOD Single : A 74 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0377) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -26.629 -15.409 -12.894 1.00 0.00 N ATOM 2 CA SER A 1 -26.546 -15.061 -11.447 1.00 0.00 C ATOM 3 C SER A 1 -25.507 -15.948 -10.769 1.00 0.00 C ATOM 4 O SER A 1 -25.472 -17.160 -10.979 1.00 0.00 O ATOM 5 CB SER A 1 -27.910 -15.279 -10.791 1.00 0.00 C ATOM 6 OG SER A 1 -28.929 -14.807 -11.661 1.00 0.00 O ATOM 0 H1 SER A 1 -27.624 -15.407 -13.195 1.00 0.00 H new ATOM 0 H2 SER A 1 -26.097 -14.709 -13.450 1.00 0.00 H new ATOM 0 H3 SER A 1 -26.223 -16.354 -13.048 1.00 0.00 H new ATOM 0 HA SER A 1 -26.255 -14.016 -11.341 1.00 0.00 H new ATOM 0 HB2 SER A 1 -28.059 -16.338 -10.578 1.00 0.00 H new ATOM 0 HB3 SER A 1 -27.957 -14.752 -9.838 1.00 0.00 H new ATOM 0 HG SER A 1 -29.805 -14.947 -11.245 1.00 0.00 H new ATOM 14 N LYS A 2 -24.661 -15.327 -9.950 1.00 0.00 N ATOM 15 CA LYS A 2 -23.621 -16.067 -9.242 1.00 0.00 C ATOM 16 C LYS A 2 -23.256 -15.360 -7.941 1.00 0.00 C ATOM 17 O LYS A 2 -23.398 -15.917 -6.852 1.00 0.00 O ATOM 18 CB LYS A 2 -22.367 -16.193 -10.110 1.00 0.00 C ATOM 19 CG LYS A 2 -21.657 -17.511 -9.795 1.00 0.00 C ATOM 20 CD LYS A 2 -22.126 -18.591 -10.773 1.00 0.00 C ATOM 21 CE LYS A 2 -21.743 -19.970 -10.233 1.00 0.00 C ATOM 22 NZ LYS A 2 -22.448 -20.210 -8.941 1.00 0.00 N ATOM 0 H LYS A 2 -24.675 -14.325 -9.762 1.00 0.00 H new ATOM 0 HA LYS A 2 -24.009 -17.061 -9.019 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -22.637 -16.157 -11.165 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -21.697 -15.354 -9.924 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -20.577 -17.382 -9.870 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -21.871 -17.816 -8.771 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -23.206 -18.529 -10.909 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -21.672 -18.433 -11.751 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -22.010 -20.742 -10.954 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -20.664 -20.029 -10.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -22.859 -21.165 -8.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -21.772 -20.125 -8.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -23.205 -19.507 -8.823 1.00 0.00 H new ATOM 36 N SER A 3 -22.783 -14.123 -8.068 1.00 0.00 N ATOM 37 CA SER A 3 -22.397 -13.342 -6.895 1.00 0.00 C ATOM 38 C SER A 3 -22.986 -11.937 -6.976 1.00 0.00 C ATOM 39 O SER A 3 -23.730 -11.612 -7.900 1.00 0.00 O ATOM 40 CB SER A 3 -20.875 -13.240 -6.798 1.00 0.00 C ATOM 41 OG SER A 3 -20.323 -14.545 -6.686 1.00 0.00 O ATOM 0 H SER A 3 -22.659 -13.644 -8.960 1.00 0.00 H new ATOM 0 HA SER A 3 -22.783 -13.848 -6.010 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.476 -12.738 -7.679 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.594 -12.638 -5.934 1.00 0.00 H new ATOM 0 HG SER A 3 -19.347 -14.483 -6.625 1.00 0.00 H new ATOM 47 N MET A 4 -22.643 -11.107 -5.994 1.00 0.00 N ATOM 48 CA MET A 4 -23.143 -9.736 -5.960 1.00 0.00 C ATOM 49 C MET A 4 -22.030 -8.752 -6.311 1.00 0.00 C ATOM 50 O MET A 4 -22.276 -7.698 -6.895 1.00 0.00 O ATOM 51 CB MET A 4 -23.689 -9.396 -4.571 1.00 0.00 C ATOM 52 CG MET A 4 -22.631 -9.708 -3.512 1.00 0.00 C ATOM 53 SD MET A 4 -23.180 -9.077 -1.906 1.00 0.00 S ATOM 54 CE MET A 4 -22.170 -7.576 -1.895 1.00 0.00 C ATOM 0 H MET A 4 -22.028 -11.356 -5.219 1.00 0.00 H new ATOM 0 HA MET A 4 -23.945 -9.655 -6.694 1.00 0.00 H new ATOM 0 HB2 MET A 4 -23.964 -8.342 -4.525 1.00 0.00 H new ATOM 0 HB3 MET A 4 -24.594 -9.970 -4.375 1.00 0.00 H new ATOM 0 HG2 MET A 4 -22.465 -10.784 -3.455 1.00 0.00 H new ATOM 0 HG3 MET A 4 -21.680 -9.253 -3.788 1.00 0.00 H new ATOM 0 HE1 MET A 4 -22.455 -6.952 -1.048 1.00 0.00 H new ATOM 0 HE2 MET A 4 -21.118 -7.846 -1.808 1.00 0.00 H new ATOM 0 HE3 MET A 4 -22.328 -7.024 -2.822 1.00 0.00 H new ATOM 64 N GLN A 5 -20.801 -9.110 -5.947 1.00 0.00 N ATOM 65 CA GLN A 5 -19.653 -8.252 -6.228 1.00 0.00 C ATOM 66 C GLN A 5 -19.160 -8.472 -7.654 1.00 0.00 C ATOM 67 O GLN A 5 -19.181 -9.590 -8.169 1.00 0.00 O ATOM 68 CB GLN A 5 -18.511 -8.548 -5.255 1.00 0.00 C ATOM 69 CG GLN A 5 -18.802 -7.885 -3.907 1.00 0.00 C ATOM 70 CD GLN A 5 -17.494 -7.653 -3.161 1.00 0.00 C ATOM 71 OE1 GLN A 5 -16.737 -8.591 -2.915 1.00 0.00 O ATOM 72 NE2 GLN A 5 -17.179 -6.443 -2.783 1.00 0.00 N ATOM 0 H GLN A 5 -20.576 -9.979 -5.462 1.00 0.00 H new ATOM 0 HA GLN A 5 -19.971 -7.216 -6.109 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -18.399 -9.625 -5.126 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -17.569 -8.176 -5.659 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -19.319 -6.937 -4.060 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -19.464 -8.517 -3.314 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -17.807 -5.665 -2.987 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -16.305 -6.276 -2.284 1.00 0.00 H new ATOM 81 N VAL A 6 -18.717 -7.390 -8.288 1.00 0.00 N ATOM 82 CA VAL A 6 -18.219 -7.472 -9.658 1.00 0.00 C ATOM 83 C VAL A 6 -16.792 -8.066 -9.662 1.00 0.00 C ATOM 84 O VAL A 6 -16.579 -9.150 -10.206 1.00 0.00 O ATOM 85 CB VAL A 6 -18.276 -6.071 -10.318 1.00 0.00 C ATOM 86 CG1 VAL A 6 -17.304 -5.953 -11.503 1.00 0.00 C ATOM 87 CG2 VAL A 6 -19.698 -5.827 -10.825 1.00 0.00 C ATOM 0 H VAL A 6 -18.692 -6.455 -7.881 1.00 0.00 H new ATOM 0 HA VAL A 6 -18.849 -8.138 -10.247 1.00 0.00 H new ATOM 0 HB VAL A 6 -17.988 -5.333 -9.570 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -17.377 -4.955 -11.936 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -16.285 -6.124 -11.156 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -17.560 -6.696 -12.259 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -19.754 -4.844 -11.293 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -19.960 -6.592 -11.556 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -20.395 -5.871 -9.988 1.00 0.00 H new ATOM 97 N PRO A 7 -15.805 -7.385 -9.053 1.00 0.00 N ATOM 98 CA PRO A 7 -14.421 -7.907 -9.009 1.00 0.00 C ATOM 99 C PRO A 7 -14.273 -9.093 -8.060 1.00 0.00 C ATOM 100 O PRO A 7 -15.230 -9.508 -7.407 1.00 0.00 O ATOM 101 CB PRO A 7 -13.630 -6.708 -8.500 1.00 0.00 C ATOM 102 CG PRO A 7 -14.615 -5.826 -7.752 1.00 0.00 C ATOM 103 CD PRO A 7 -15.986 -6.079 -8.377 1.00 0.00 C ATOM 0 HA PRO A 7 -14.088 -8.285 -9.975 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.820 -7.028 -7.844 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -13.174 -6.165 -9.328 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -14.623 -6.068 -6.689 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -14.338 -4.775 -7.838 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -16.772 -6.120 -7.623 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -16.260 -5.294 -9.082 1.00 0.00 H new ATOM 111 N PHE A 8 -13.059 -9.631 -7.993 1.00 0.00 N ATOM 112 CA PHE A 8 -12.789 -10.771 -7.120 1.00 0.00 C ATOM 113 C PHE A 8 -11.287 -10.938 -6.902 1.00 0.00 C ATOM 114 O PHE A 8 -10.831 -11.167 -5.782 1.00 0.00 O ATOM 115 CB PHE A 8 -13.353 -12.061 -7.721 1.00 0.00 C ATOM 116 CG PHE A 8 -12.829 -12.237 -9.123 1.00 0.00 C ATOM 117 CD1 PHE A 8 -13.334 -11.446 -10.160 1.00 0.00 C ATOM 118 CD2 PHE A 8 -11.840 -13.190 -9.387 1.00 0.00 C ATOM 119 CE1 PHE A 8 -12.851 -11.609 -11.464 1.00 0.00 C ATOM 120 CE2 PHE A 8 -11.355 -13.354 -10.689 1.00 0.00 C ATOM 121 CZ PHE A 8 -11.860 -12.563 -11.729 1.00 0.00 C ATOM 0 H PHE A 8 -12.254 -9.301 -8.526 1.00 0.00 H new ATOM 0 HA PHE A 8 -13.275 -10.577 -6.164 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -13.069 -12.915 -7.106 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -14.442 -12.023 -7.731 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -14.097 -10.709 -9.955 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -11.450 -13.800 -8.585 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -13.242 -11.000 -12.265 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.591 -14.090 -10.892 1.00 0.00 H new ATOM 0 HZ PHE A 8 -11.486 -12.689 -12.734 1.00 0.00 H new ATOM 131 N SER A 9 -10.523 -10.819 -7.985 1.00 0.00 N ATOM 132 CA SER A 9 -9.072 -10.957 -7.900 1.00 0.00 C ATOM 133 C SER A 9 -8.449 -9.689 -7.327 1.00 0.00 C ATOM 134 O SER A 9 -9.080 -8.633 -7.291 1.00 0.00 O ATOM 135 CB SER A 9 -8.477 -11.222 -9.283 1.00 0.00 C ATOM 136 OG SER A 9 -9.159 -10.429 -10.246 1.00 0.00 O ATOM 0 H SER A 9 -10.879 -10.629 -8.922 1.00 0.00 H new ATOM 0 HA SER A 9 -8.853 -11.799 -7.243 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.413 -10.984 -9.286 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.568 -12.279 -9.535 1.00 0.00 H new ATOM 0 HG SER A 9 -8.779 -10.595 -11.134 1.00 0.00 H new ATOM 142 N ARG A 10 -7.201 -9.805 -6.880 1.00 0.00 N ATOM 143 CA ARG A 10 -6.498 -8.658 -6.309 1.00 0.00 C ATOM 144 C ARG A 10 -5.006 -8.953 -6.185 1.00 0.00 C ATOM 145 O ARG A 10 -4.549 -10.058 -6.477 1.00 0.00 O ATOM 146 CB ARG A 10 -7.056 -8.322 -4.924 1.00 0.00 C ATOM 147 CG ARG A 10 -8.185 -7.297 -5.064 1.00 0.00 C ATOM 148 CD ARG A 10 -8.179 -6.360 -3.855 1.00 0.00 C ATOM 149 NE ARG A 10 -9.386 -5.531 -3.836 1.00 0.00 N ATOM 150 CZ ARG A 10 -9.610 -4.619 -2.879 1.00 0.00 C ATOM 151 NH1 ARG A 10 -8.751 -4.427 -1.907 1.00 0.00 N ATOM 152 NH2 ARG A 10 -10.704 -3.909 -2.916 1.00 0.00 N ATOM 0 H ARG A 10 -6.661 -10.670 -6.901 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.646 -7.809 -6.976 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.428 -9.225 -4.441 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.265 -7.924 -4.288 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.058 -6.723 -5.982 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.146 -7.807 -5.137 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.118 -6.944 -2.937 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.295 -5.723 -3.887 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.079 -5.651 -4.575 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.893 -4.977 -1.869 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.941 -3.728 -1.189 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.379 -4.051 -3.668 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.885 -3.212 -2.193 1.00 0.00 H new ATOM 166 N CYS A 11 -4.253 -7.948 -5.743 1.00 0.00 N ATOM 167 CA CYS A 11 -2.813 -8.093 -5.575 1.00 0.00 C ATOM 168 C CYS A 11 -2.144 -8.470 -6.893 1.00 0.00 C ATOM 169 O CYS A 11 -2.803 -8.658 -7.916 1.00 0.00 O ATOM 170 CB CYS A 11 -2.502 -9.166 -4.533 1.00 0.00 C ATOM 171 SG CYS A 11 -2.681 -8.468 -2.872 1.00 0.00 S ATOM 0 H CYS A 11 -4.617 -7.028 -5.496 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.422 -7.133 -5.239 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.176 -10.014 -4.657 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -1.488 -9.541 -4.674 1.00 0.00 H new ATOM 176 N CYS A 12 -0.822 -8.572 -6.847 1.00 0.00 N ATOM 177 CA CYS A 12 -0.040 -8.923 -8.033 1.00 0.00 C ATOM 178 C CYS A 12 0.965 -10.023 -7.699 1.00 0.00 C ATOM 179 O CYS A 12 0.963 -10.575 -6.599 1.00 0.00 O ATOM 180 CB CYS A 12 0.732 -7.703 -8.543 1.00 0.00 C ATOM 181 SG CYS A 12 -0.407 -6.326 -8.834 1.00 0.00 S ATOM 0 H CYS A 12 -0.267 -8.418 -6.005 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.732 -9.271 -8.800 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.489 -7.412 -7.815 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.256 -7.953 -9.465 1.00 0.00 H new ATOM 186 N PHE A 13 1.835 -10.322 -8.661 1.00 0.00 N ATOM 187 CA PHE A 13 2.859 -11.343 -8.462 1.00 0.00 C ATOM 188 C PHE A 13 4.199 -10.676 -8.169 1.00 0.00 C ATOM 189 O PHE A 13 4.936 -11.089 -7.275 1.00 0.00 O ATOM 190 CB PHE A 13 2.999 -12.218 -9.711 1.00 0.00 C ATOM 191 CG PHE A 13 2.114 -13.435 -9.579 1.00 0.00 C ATOM 192 CD1 PHE A 13 0.723 -13.290 -9.547 1.00 0.00 C ATOM 193 CD2 PHE A 13 2.688 -14.710 -9.488 1.00 0.00 C ATOM 194 CE1 PHE A 13 -0.096 -14.418 -9.424 1.00 0.00 C ATOM 195 CE2 PHE A 13 1.868 -15.838 -9.365 1.00 0.00 C ATOM 196 CZ PHE A 13 0.477 -15.693 -9.332 1.00 0.00 C ATOM 0 H PHE A 13 1.852 -9.876 -9.578 1.00 0.00 H new ATOM 0 HA PHE A 13 2.562 -11.969 -7.621 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.722 -11.649 -10.599 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.038 -12.523 -9.839 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.281 -12.307 -9.617 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.762 -14.822 -9.513 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.170 -14.306 -9.400 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.310 -16.821 -9.296 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.155 -16.564 -9.236 1.00 0.00 H new ATOM 206 N SER A 14 4.493 -9.626 -8.932 1.00 0.00 N ATOM 207 CA SER A 14 5.738 -8.885 -8.753 1.00 0.00 C ATOM 208 C SER A 14 5.446 -7.526 -8.124 1.00 0.00 C ATOM 209 O SER A 14 4.779 -6.682 -8.722 1.00 0.00 O ATOM 210 CB SER A 14 6.435 -8.672 -10.097 1.00 0.00 C ATOM 211 OG SER A 14 7.300 -9.770 -10.357 1.00 0.00 O ATOM 0 H SER A 14 3.891 -9.271 -9.675 1.00 0.00 H new ATOM 0 HA SER A 14 6.390 -9.464 -8.100 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.696 -8.580 -10.893 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.003 -7.742 -10.082 1.00 0.00 H new ATOM 0 HG SER A 14 7.747 -9.637 -11.219 1.00 0.00 H new ATOM 217 N PHE A 15 5.936 -7.332 -6.904 1.00 0.00 N ATOM 218 CA PHE A 15 5.702 -6.077 -6.194 1.00 0.00 C ATOM 219 C PHE A 15 6.864 -5.112 -6.409 1.00 0.00 C ATOM 220 O PHE A 15 7.819 -5.413 -7.125 1.00 0.00 O ATOM 221 CB PHE A 15 5.547 -6.336 -4.687 1.00 0.00 C ATOM 222 CG PHE A 15 4.176 -6.911 -4.345 1.00 0.00 C ATOM 223 CD1 PHE A 15 3.390 -7.576 -5.307 1.00 0.00 C ATOM 224 CD2 PHE A 15 3.699 -6.789 -3.036 1.00 0.00 C ATOM 225 CE1 PHE A 15 2.148 -8.106 -4.954 1.00 0.00 C ATOM 226 CE2 PHE A 15 2.452 -7.317 -2.685 1.00 0.00 C ATOM 227 CZ PHE A 15 1.676 -7.976 -3.644 1.00 0.00 C ATOM 0 H PHE A 15 6.491 -8.017 -6.391 1.00 0.00 H new ATOM 0 HA PHE A 15 4.786 -5.636 -6.588 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.323 -7.026 -4.356 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.696 -5.404 -4.142 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.750 -7.676 -6.320 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.297 -6.284 -2.292 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.550 -8.617 -5.694 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.088 -7.216 -1.673 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.713 -8.384 -3.373 1.00 0.00 H new ATOM 237 N ALA A 16 6.770 -3.947 -5.773 1.00 0.00 N ATOM 238 CA ALA A 16 7.813 -2.933 -5.888 1.00 0.00 C ATOM 239 C ALA A 16 8.826 -3.085 -4.750 1.00 0.00 C ATOM 240 O ALA A 16 9.171 -2.121 -4.066 1.00 0.00 O ATOM 241 CB ALA A 16 7.194 -1.532 -5.839 1.00 0.00 C ATOM 0 H ALA A 16 5.986 -3.683 -5.176 1.00 0.00 H new ATOM 0 HA ALA A 16 8.323 -3.067 -6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.981 -0.783 -5.926 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.491 -1.416 -6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.669 -1.399 -4.893 1.00 0.00 H new ATOM 247 N GLU A 17 9.297 -4.312 -4.552 1.00 0.00 N ATOM 248 CA GLU A 17 10.265 -4.581 -3.493 1.00 0.00 C ATOM 249 C GLU A 17 11.680 -4.647 -4.057 1.00 0.00 C ATOM 250 O GLU A 17 12.533 -5.374 -3.545 1.00 0.00 O ATOM 251 CB GLU A 17 9.943 -5.908 -2.800 1.00 0.00 C ATOM 252 CG GLU A 17 8.515 -5.865 -2.253 1.00 0.00 C ATOM 253 CD GLU A 17 8.508 -5.160 -0.901 1.00 0.00 C ATOM 254 OE1 GLU A 17 9.356 -5.481 -0.084 1.00 0.00 O ATOM 255 OE2 GLU A 17 7.656 -4.312 -0.702 1.00 0.00 O ATOM 0 H GLU A 17 9.029 -5.127 -5.103 1.00 0.00 H new ATOM 0 HA GLU A 17 10.204 -3.766 -2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.049 -6.733 -3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.649 -6.088 -1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.863 -5.341 -2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.124 -6.877 -2.149 1.00 0.00 H new ATOM 262 N GLN A 18 11.925 -3.879 -5.115 1.00 0.00 N ATOM 263 CA GLN A 18 13.247 -3.859 -5.735 1.00 0.00 C ATOM 264 C GLN A 18 13.968 -2.550 -5.403 1.00 0.00 C ATOM 265 O GLN A 18 14.807 -2.504 -4.503 1.00 0.00 O ATOM 266 CB GLN A 18 13.133 -4.019 -7.256 1.00 0.00 C ATOM 267 CG GLN A 18 13.237 -5.500 -7.624 1.00 0.00 C ATOM 268 CD GLN A 18 14.693 -5.851 -7.915 1.00 0.00 C ATOM 269 OE1 GLN A 18 15.103 -5.915 -9.073 1.00 0.00 O ATOM 270 NE2 GLN A 18 15.505 -6.085 -6.921 1.00 0.00 N ATOM 0 H GLN A 18 11.236 -3.270 -5.556 1.00 0.00 H new ATOM 0 HA GLN A 18 13.824 -4.694 -5.338 1.00 0.00 H new ATOM 0 HB2 GLN A 18 12.183 -3.613 -7.605 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.923 -3.454 -7.752 1.00 0.00 H new ATOM 0 HG2 GLN A 18 12.860 -6.116 -6.808 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.619 -5.713 -8.496 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.165 -6.032 -5.961 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.480 -6.321 -7.104 1.00 0.00 H new ATOM 279 N GLU A 19 13.632 -1.488 -6.133 1.00 0.00 N ATOM 280 CA GLU A 19 14.257 -0.184 -5.897 1.00 0.00 C ATOM 281 C GLU A 19 13.674 0.875 -6.841 1.00 0.00 C ATOM 282 O GLU A 19 14.377 1.779 -7.291 1.00 0.00 O ATOM 283 CB GLU A 19 15.779 -0.277 -6.106 1.00 0.00 C ATOM 284 CG GLU A 19 16.492 -0.253 -4.749 1.00 0.00 C ATOM 285 CD GLU A 19 17.691 -1.195 -4.782 1.00 0.00 C ATOM 286 OE1 GLU A 19 18.661 -0.863 -5.444 1.00 0.00 O ATOM 287 OE2 GLU A 19 17.622 -2.233 -4.146 1.00 0.00 O ATOM 0 H GLU A 19 12.941 -1.501 -6.883 1.00 0.00 H new ATOM 0 HA GLU A 19 14.051 0.109 -4.868 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.026 -1.194 -6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.122 0.554 -6.722 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.820 0.760 -4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.803 -0.553 -3.960 1.00 0.00 H new ATOM 294 N ILE A 20 12.381 0.753 -7.137 1.00 0.00 N ATOM 295 CA ILE A 20 11.727 1.710 -8.031 1.00 0.00 C ATOM 296 C ILE A 20 11.657 3.103 -7.365 1.00 0.00 C ATOM 297 O ILE A 20 11.156 3.225 -6.248 1.00 0.00 O ATOM 298 CB ILE A 20 10.305 1.232 -8.437 1.00 0.00 C ATOM 299 CG1 ILE A 20 9.270 1.481 -7.318 1.00 0.00 C ATOM 300 CG2 ILE A 20 10.335 -0.264 -8.767 1.00 0.00 C ATOM 301 CD1 ILE A 20 9.665 0.742 -6.038 1.00 0.00 C ATOM 0 H ILE A 20 11.774 0.016 -6.779 1.00 0.00 H new ATOM 0 HA ILE A 20 12.325 1.780 -8.940 1.00 0.00 H new ATOM 0 HB ILE A 20 10.005 1.808 -9.312 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.195 2.550 -7.118 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.285 1.148 -7.646 1.00 0.00 H new ATOM 0 HG21 ILE A 20 9.336 -0.594 -9.051 1.00 0.00 H new ATOM 0 HG22 ILE A 20 11.024 -0.441 -9.593 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.667 -0.823 -7.892 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.922 0.932 -5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.716 -0.328 -6.237 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.639 1.095 -5.700 1.00 0.00 H new ATOM 313 N PRO A 21 12.155 4.167 -8.024 1.00 0.00 N ATOM 314 CA PRO A 21 12.119 5.520 -7.443 1.00 0.00 C ATOM 315 C PRO A 21 10.813 6.253 -7.748 1.00 0.00 C ATOM 316 O PRO A 21 9.965 5.755 -8.489 1.00 0.00 O ATOM 317 CB PRO A 21 13.284 6.201 -8.149 1.00 0.00 C ATOM 318 CG PRO A 21 13.510 5.456 -9.463 1.00 0.00 C ATOM 319 CD PRO A 21 12.780 4.111 -9.364 1.00 0.00 C ATOM 0 HA PRO A 21 12.186 5.512 -6.355 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.061 7.251 -8.335 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.181 6.171 -7.530 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.130 6.037 -10.303 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.575 5.302 -9.638 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.035 3.997 -10.152 1.00 0.00 H new ATOM 0 HD3 PRO A 21 13.469 3.271 -9.453 1.00 0.00 H new ATOM 327 N LEU A 22 10.668 7.447 -7.179 1.00 0.00 N ATOM 328 CA LEU A 22 9.467 8.250 -7.409 1.00 0.00 C ATOM 329 C LEU A 22 9.312 8.568 -8.897 1.00 0.00 C ATOM 330 O LEU A 22 8.210 8.820 -9.375 1.00 0.00 O ATOM 331 CB LEU A 22 9.532 9.562 -6.624 1.00 0.00 C ATOM 332 CG LEU A 22 9.130 9.473 -5.148 1.00 0.00 C ATOM 333 CD1 LEU A 22 7.685 8.986 -5.039 1.00 0.00 C ATOM 334 CD2 LEU A 22 10.053 8.495 -4.421 1.00 0.00 C ATOM 0 H LEU A 22 11.357 7.877 -6.562 1.00 0.00 H new ATOM 0 HA LEU A 22 8.610 7.669 -7.069 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.549 9.949 -6.682 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.886 10.290 -7.114 1.00 0.00 H new ATOM 0 HG LEU A 22 9.217 10.459 -4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.400 8.923 -3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.026 9.686 -5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.597 8.001 -5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.764 8.434 -3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.971 7.509 -4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.083 8.844 -4.494 1.00 0.00 H new ATOM 346 N ARG A 23 10.423 8.546 -9.629 1.00 0.00 N ATOM 347 CA ARG A 23 10.376 8.822 -11.061 1.00 0.00 C ATOM 348 C ARG A 23 9.506 7.790 -11.787 1.00 0.00 C ATOM 349 O ARG A 23 9.062 8.021 -12.911 1.00 0.00 O ATOM 350 CB ARG A 23 11.785 8.791 -11.657 1.00 0.00 C ATOM 351 CG ARG A 23 12.553 10.040 -11.220 1.00 0.00 C ATOM 352 CD ARG A 23 12.206 11.205 -12.147 1.00 0.00 C ATOM 353 NE ARG A 23 13.166 12.300 -11.982 1.00 0.00 N ATOM 354 CZ ARG A 23 13.264 13.301 -12.869 1.00 0.00 C ATOM 355 NH1 ARG A 23 12.498 13.345 -13.934 1.00 0.00 N ATOM 356 NH2 ARG A 23 14.138 14.249 -12.670 1.00 0.00 N ATOM 0 H ARG A 23 11.353 8.343 -9.261 1.00 0.00 H new ATOM 0 HA ARG A 23 9.943 9.814 -11.194 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.311 7.895 -11.328 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.730 8.747 -12.745 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.300 10.293 -10.190 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.626 9.848 -11.247 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.208 10.866 -13.183 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.199 11.561 -11.930 1.00 0.00 H new ATOM 0 HE ARG A 23 13.779 12.301 -11.167 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.812 12.609 -14.099 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.589 14.116 -14.596 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.739 14.224 -11.846 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.221 15.015 -13.338 1.00 0.00 H new ATOM 370 N ALA A 24 9.270 6.644 -11.138 1.00 0.00 N ATOM 371 CA ALA A 24 8.458 5.590 -11.743 1.00 0.00 C ATOM 372 C ALA A 24 7.080 5.512 -11.083 1.00 0.00 C ATOM 373 O ALA A 24 6.108 5.079 -11.702 1.00 0.00 O ATOM 374 CB ALA A 24 9.156 4.236 -11.594 1.00 0.00 C ATOM 0 H ALA A 24 9.626 6.427 -10.207 1.00 0.00 H new ATOM 0 HA ALA A 24 8.334 5.830 -12.799 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.542 3.458 -12.048 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.125 4.270 -12.091 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.298 4.014 -10.536 1.00 0.00 H new ATOM 380 N ILE A 25 7.006 5.928 -9.821 1.00 0.00 N ATOM 381 CA ILE A 25 5.745 5.891 -9.085 1.00 0.00 C ATOM 382 C ILE A 25 5.135 7.292 -9.007 1.00 0.00 C ATOM 383 O ILE A 25 5.831 8.297 -9.129 1.00 0.00 O ATOM 384 CB ILE A 25 5.966 5.346 -7.668 1.00 0.00 C ATOM 385 CG1 ILE A 25 6.773 4.040 -7.735 1.00 0.00 C ATOM 386 CG2 ILE A 25 4.613 5.070 -7.008 1.00 0.00 C ATOM 387 CD1 ILE A 25 7.066 3.530 -6.317 1.00 0.00 C ATOM 0 H ILE A 25 7.797 6.292 -9.290 1.00 0.00 H new ATOM 0 HA ILE A 25 5.059 5.231 -9.615 1.00 0.00 H new ATOM 0 HB ILE A 25 6.515 6.083 -7.083 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.216 3.287 -8.293 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.708 4.207 -8.270 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.771 4.683 -6.001 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.039 5.995 -6.955 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.064 4.335 -7.597 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.638 2.604 -6.374 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.641 4.279 -5.773 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.127 3.344 -5.796 1.00 0.00 H new ATOM 399 N LEU A 26 3.823 7.344 -8.814 1.00 0.00 N ATOM 400 CA LEU A 26 3.118 8.623 -8.735 1.00 0.00 C ATOM 401 C LEU A 26 2.506 8.815 -7.353 1.00 0.00 C ATOM 402 O LEU A 26 2.663 9.860 -6.725 1.00 0.00 O ATOM 403 CB LEU A 26 2.005 8.682 -9.780 1.00 0.00 C ATOM 404 CG LEU A 26 2.479 8.922 -11.215 1.00 0.00 C ATOM 405 CD1 LEU A 26 1.267 9.059 -12.133 1.00 0.00 C ATOM 406 CD2 LEU A 26 3.308 10.207 -11.270 1.00 0.00 C ATOM 0 H LEU A 26 3.227 6.523 -8.710 1.00 0.00 H new ATOM 0 HA LEU A 26 3.842 9.416 -8.924 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.448 7.746 -9.749 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.310 9.476 -9.505 1.00 0.00 H new ATOM 0 HG LEU A 26 3.091 8.081 -11.542 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.603 9.230 -13.156 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.675 8.144 -12.093 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.656 9.901 -11.806 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.646 10.378 -12.292 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.697 11.049 -10.944 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.173 10.111 -10.613 1.00 0.00 H new ATOM 418 N CYS A 27 1.807 7.788 -6.892 1.00 0.00 N ATOM 419 CA CYS A 27 1.166 7.831 -5.579 1.00 0.00 C ATOM 420 C CYS A 27 0.994 6.413 -5.049 1.00 0.00 C ATOM 421 O CYS A 27 1.384 5.447 -5.706 1.00 0.00 O ATOM 422 CB CYS A 27 -0.202 8.514 -5.661 1.00 0.00 C ATOM 423 SG CYS A 27 -1.220 7.699 -6.918 1.00 0.00 S ATOM 0 H CYS A 27 1.668 6.916 -7.403 1.00 0.00 H new ATOM 0 HA CYS A 27 1.800 8.405 -4.904 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.699 8.470 -4.692 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.078 9.568 -5.908 1.00 0.00 H new ATOM 428 N TYR A 28 0.414 6.283 -3.856 1.00 0.00 N ATOM 429 CA TYR A 28 0.219 4.956 -3.280 1.00 0.00 C ATOM 430 C TYR A 28 -1.154 4.827 -2.609 1.00 0.00 C ATOM 431 O TYR A 28 -1.789 5.819 -2.260 1.00 0.00 O ATOM 432 CB TYR A 28 1.374 4.625 -2.304 1.00 0.00 C ATOM 433 CG TYR A 28 1.040 4.942 -0.857 1.00 0.00 C ATOM 434 CD1 TYR A 28 0.493 6.183 -0.516 1.00 0.00 C ATOM 435 CD2 TYR A 28 1.283 3.985 0.134 1.00 0.00 C ATOM 436 CE1 TYR A 28 0.188 6.468 0.822 1.00 0.00 C ATOM 437 CE2 TYR A 28 0.980 4.268 1.472 1.00 0.00 C ATOM 438 CZ TYR A 28 0.431 5.510 1.816 1.00 0.00 C ATOM 439 OH TYR A 28 0.131 5.791 3.133 1.00 0.00 O ATOM 0 H TYR A 28 0.079 7.058 -3.284 1.00 0.00 H new ATOM 0 HA TYR A 28 0.238 4.224 -4.087 1.00 0.00 H new ATOM 0 HB2 TYR A 28 1.623 3.567 -2.390 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.261 5.186 -2.597 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.306 6.921 -1.282 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.705 3.027 -0.133 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.234 7.426 1.087 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.169 3.530 2.237 1.00 0.00 H new ATOM 0 HH TYR A 28 0.360 5.020 3.692 1.00 0.00 H new ATOM 449 N ARG A 29 -1.589 3.582 -2.429 1.00 0.00 N ATOM 450 CA ARG A 29 -2.876 3.316 -1.792 1.00 0.00 C ATOM 451 C ARG A 29 -2.934 1.878 -1.278 1.00 0.00 C ATOM 452 O ARG A 29 -2.651 0.930 -2.013 1.00 0.00 O ATOM 453 CB ARG A 29 -4.026 3.553 -2.780 1.00 0.00 C ATOM 454 CG ARG A 29 -3.869 2.635 -4.001 1.00 0.00 C ATOM 455 CD ARG A 29 -4.850 1.465 -3.895 1.00 0.00 C ATOM 456 NE ARG A 29 -5.342 1.078 -5.221 1.00 0.00 N ATOM 457 CZ ARG A 29 -6.300 1.770 -5.855 1.00 0.00 C ATOM 458 NH1 ARG A 29 -6.836 2.840 -5.318 1.00 0.00 N ATOM 459 NH2 ARG A 29 -6.704 1.373 -7.031 1.00 0.00 N ATOM 0 H ARG A 29 -1.074 2.748 -2.712 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.982 4.000 -0.950 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.981 3.361 -2.291 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.034 4.596 -3.098 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.055 3.196 -4.917 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.847 2.261 -4.058 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.359 0.615 -3.421 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.689 1.744 -3.258 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.943 0.257 -5.676 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.525 3.161 -4.401 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.563 3.352 -5.818 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.292 0.544 -7.459 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.432 1.892 -7.522 1.00 0.00 H new ATOM 473 N ASN A 30 -3.304 1.725 -0.009 1.00 0.00 N ATOM 474 CA ASN A 30 -3.398 0.397 0.596 1.00 0.00 C ATOM 475 C ASN A 30 -4.550 -0.387 -0.022 1.00 0.00 C ATOM 476 O ASN A 30 -5.597 0.174 -0.344 1.00 0.00 O ATOM 477 CB ASN A 30 -3.624 0.511 2.104 1.00 0.00 C ATOM 478 CG ASN A 30 -3.102 -0.745 2.794 1.00 0.00 C ATOM 479 OD1 ASN A 30 -1.946 -1.126 2.612 1.00 0.00 O ATOM 480 ND2 ASN A 30 -3.894 -1.419 3.583 1.00 0.00 N ATOM 0 H ASN A 30 -3.542 2.495 0.616 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.460 -0.126 0.409 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.113 1.392 2.493 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.686 0.640 2.314 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.555 -2.261 4.048 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.852 -1.104 3.734 1.00 0.00 H new ATOM 487 N THR A 31 -4.349 -1.695 -0.186 1.00 0.00 N ATOM 488 CA THR A 31 -5.387 -2.540 -0.770 1.00 0.00 C ATOM 489 C THR A 31 -5.922 -3.532 0.265 1.00 0.00 C ATOM 490 O THR A 31 -5.887 -4.747 0.068 1.00 0.00 O ATOM 491 CB THR A 31 -4.833 -3.306 -1.978 1.00 0.00 C ATOM 492 OG1 THR A 31 -5.843 -4.162 -2.495 1.00 0.00 O ATOM 493 CG2 THR A 31 -3.621 -4.141 -1.556 1.00 0.00 C ATOM 0 H THR A 31 -3.492 -2.184 0.073 1.00 0.00 H new ATOM 0 HA THR A 31 -6.204 -1.896 -1.097 1.00 0.00 H new ATOM 0 HB THR A 31 -4.526 -2.595 -2.745 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.983 -4.912 -1.880 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.233 -4.682 -2.419 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.846 -3.484 -1.162 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.920 -4.853 -0.786 1.00 0.00 H new ATOM 501 N SER A 32 -6.438 -2.985 1.368 1.00 0.00 N ATOM 502 CA SER A 32 -7.007 -3.802 2.446 1.00 0.00 C ATOM 503 C SER A 32 -6.059 -4.921 2.874 1.00 0.00 C ATOM 504 O SER A 32 -4.964 -5.076 2.334 1.00 0.00 O ATOM 505 CB SER A 32 -8.322 -4.433 1.990 1.00 0.00 C ATOM 506 OG SER A 32 -9.376 -3.492 2.144 1.00 0.00 O ATOM 0 H SER A 32 -6.474 -1.980 1.540 1.00 0.00 H new ATOM 0 HA SER A 32 -7.174 -3.139 3.295 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.247 -4.744 0.948 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.531 -5.328 2.576 1.00 0.00 H new ATOM 0 HG SER A 32 -10.220 -3.895 1.850 1.00 0.00 H new ATOM 512 N SER A 33 -6.513 -5.712 3.841 1.00 0.00 N ATOM 513 CA SER A 33 -5.723 -6.839 4.326 1.00 0.00 C ATOM 514 C SER A 33 -6.297 -8.147 3.776 1.00 0.00 C ATOM 515 O SER A 33 -6.175 -9.206 4.393 1.00 0.00 O ATOM 516 CB SER A 33 -5.739 -6.889 5.855 1.00 0.00 C ATOM 517 OG SER A 33 -4.713 -6.047 6.362 1.00 0.00 O ATOM 0 H SER A 33 -7.416 -5.596 4.301 1.00 0.00 H new ATOM 0 HA SER A 33 -4.696 -6.712 3.985 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.710 -6.566 6.231 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.589 -7.912 6.199 1.00 0.00 H new ATOM 0 HG SER A 33 -4.721 -6.075 7.342 1.00 0.00 H new ATOM 523 N ILE A 34 -6.933 -8.050 2.607 1.00 0.00 N ATOM 524 CA ILE A 34 -7.538 -9.213 1.966 1.00 0.00 C ATOM 525 C ILE A 34 -6.468 -10.234 1.587 1.00 0.00 C ATOM 526 O ILE A 34 -6.643 -11.438 1.775 1.00 0.00 O ATOM 527 CB ILE A 34 -8.311 -8.767 0.710 1.00 0.00 C ATOM 528 CG1 ILE A 34 -8.972 -9.976 0.031 1.00 0.00 C ATOM 529 CG2 ILE A 34 -7.360 -8.086 -0.281 1.00 0.00 C ATOM 530 CD1 ILE A 34 -10.240 -10.359 0.794 1.00 0.00 C ATOM 0 H ILE A 34 -7.041 -7.179 2.088 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.228 -9.682 2.667 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.083 -8.061 1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.216 -9.737 -1.004 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.280 -10.818 0.009 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.917 -7.775 -1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.909 -7.212 0.189 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.577 -8.786 -0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.709 -11.217 0.312 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.983 -10.616 1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.933 -9.518 0.793 1.00 0.00 H new ATOM 542 N CYS A 35 -5.366 -9.740 1.044 1.00 0.00 N ATOM 543 CA CYS A 35 -4.277 -10.617 0.630 1.00 0.00 C ATOM 544 C CYS A 35 -3.568 -11.204 1.847 1.00 0.00 C ATOM 545 O CYS A 35 -3.977 -10.985 2.987 1.00 0.00 O ATOM 546 CB CYS A 35 -3.280 -9.849 -0.238 1.00 0.00 C ATOM 547 SG CYS A 35 -3.922 -9.751 -1.928 1.00 0.00 S ATOM 0 H CYS A 35 -5.201 -8.747 0.880 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.698 -11.435 0.046 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.124 -8.848 0.164 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.312 -10.350 -0.232 1.00 0.00 H new ATOM 552 N SER A 36 -2.511 -11.972 1.588 1.00 0.00 N ATOM 553 CA SER A 36 -1.756 -12.613 2.664 1.00 0.00 C ATOM 554 C SER A 36 -0.984 -11.583 3.493 1.00 0.00 C ATOM 555 O SER A 36 0.248 -11.542 3.476 1.00 0.00 O ATOM 556 CB SER A 36 -0.774 -13.636 2.086 1.00 0.00 C ATOM 557 OG SER A 36 -1.469 -14.842 1.796 1.00 0.00 O ATOM 0 H SER A 36 -2.160 -12.165 0.650 1.00 0.00 H new ATOM 0 HA SER A 36 -2.471 -13.117 3.314 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.312 -13.242 1.181 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.030 -13.828 2.797 1.00 0.00 H new ATOM 0 HG SER A 36 -0.844 -15.499 1.424 1.00 0.00 H new ATOM 563 N ASN A 37 -1.727 -10.762 4.230 1.00 0.00 N ATOM 564 CA ASN A 37 -1.117 -9.739 5.081 1.00 0.00 C ATOM 565 C ASN A 37 -0.321 -8.738 4.248 1.00 0.00 C ATOM 566 O ASN A 37 0.294 -9.088 3.242 1.00 0.00 O ATOM 567 CB ASN A 37 -0.184 -10.381 6.110 1.00 0.00 C ATOM 568 CG ASN A 37 -0.958 -11.413 6.924 1.00 0.00 C ATOM 569 OD1 ASN A 37 -2.145 -11.234 7.196 1.00 0.00 O ATOM 570 ND2 ASN A 37 -0.350 -12.493 7.332 1.00 0.00 N ATOM 0 H ASN A 37 -2.746 -10.783 4.257 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.924 -9.217 5.595 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.658 -10.856 5.607 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.229 -9.617 6.769 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.858 -13.190 7.877 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.634 -12.641 7.106 1.00 0.00 H new ATOM 577 N GLU A 38 -0.339 -7.480 4.686 1.00 0.00 N ATOM 578 CA GLU A 38 0.388 -6.420 3.986 1.00 0.00 C ATOM 579 C GLU A 38 -0.046 -6.334 2.525 1.00 0.00 C ATOM 580 O GLU A 38 0.518 -6.996 1.653 1.00 0.00 O ATOM 581 CB GLU A 38 1.895 -6.678 4.044 1.00 0.00 C ATOM 582 CG GLU A 38 2.378 -6.566 5.491 1.00 0.00 C ATOM 583 CD GLU A 38 2.034 -7.846 6.243 1.00 0.00 C ATOM 584 OE1 GLU A 38 2.365 -8.910 5.746 1.00 0.00 O ATOM 585 OE2 GLU A 38 1.443 -7.745 7.306 1.00 0.00 O ATOM 0 H GLU A 38 -0.845 -7.170 5.516 1.00 0.00 H new ATOM 0 HA GLU A 38 0.158 -5.477 4.483 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.120 -7.669 3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.422 -5.959 3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.454 -6.396 5.514 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.910 -5.710 5.976 1.00 0.00 H new ATOM 592 N GLY A 39 -1.053 -5.506 2.268 1.00 0.00 N ATOM 593 CA GLY A 39 -1.556 -5.332 0.909 1.00 0.00 C ATOM 594 C GLY A 39 -1.485 -3.866 0.500 1.00 0.00 C ATOM 595 O GLY A 39 -2.334 -3.060 0.883 1.00 0.00 O ATOM 0 H GLY A 39 -1.534 -4.949 2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.971 -5.938 0.217 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.586 -5.684 0.848 1.00 0.00 H new ATOM 599 N LEU A 40 -0.461 -3.525 -0.278 1.00 0.00 N ATOM 600 CA LEU A 40 -0.290 -2.142 -0.724 1.00 0.00 C ATOM 601 C LEU A 40 -0.220 -2.067 -2.247 1.00 0.00 C ATOM 602 O LEU A 40 0.260 -2.986 -2.911 1.00 0.00 O ATOM 603 CB LEU A 40 0.985 -1.544 -0.124 1.00 0.00 C ATOM 604 CG LEU A 40 1.332 -0.123 -0.578 1.00 0.00 C ATOM 605 CD1 LEU A 40 0.214 0.839 -0.175 1.00 0.00 C ATOM 606 CD2 LEU A 40 2.635 0.313 0.093 1.00 0.00 C ATOM 0 H LEU A 40 0.253 -4.174 -0.609 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.153 -1.570 -0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.888 -1.545 0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.821 -2.198 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 40 1.447 -0.108 -1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.467 1.848 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.719 0.529 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.096 0.827 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.888 1.324 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.511 0.295 1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.437 -0.368 -0.192 1.00 0.00 H new ATOM 618 N ILE A 41 -0.711 -0.956 -2.787 1.00 0.00 N ATOM 619 CA ILE A 41 -0.715 -0.741 -4.230 1.00 0.00 C ATOM 620 C ILE A 41 -0.259 0.688 -4.532 1.00 0.00 C ATOM 621 O ILE A 41 -0.431 1.595 -3.719 1.00 0.00 O ATOM 622 CB ILE A 41 -2.131 -0.994 -4.788 1.00 0.00 C ATOM 623 CG1 ILE A 41 -2.448 -2.490 -4.653 1.00 0.00 C ATOM 624 CG2 ILE A 41 -2.233 -0.584 -6.268 1.00 0.00 C ATOM 625 CD1 ILE A 41 -3.875 -2.772 -5.133 1.00 0.00 C ATOM 0 H ILE A 41 -1.112 -0.190 -2.246 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.026 -1.436 -4.710 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.843 -0.393 -4.223 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.737 -3.074 -5.238 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.338 -2.801 -3.614 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.243 -0.775 -6.630 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.007 0.478 -6.368 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.521 -1.164 -6.856 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.089 -3.836 -5.033 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.581 -2.201 -4.530 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.972 -2.479 -6.179 1.00 0.00 H new ATOM 637 N PHE A 42 0.329 0.871 -5.711 1.00 0.00 N ATOM 638 CA PHE A 42 0.813 2.186 -6.114 1.00 0.00 C ATOM 639 C PHE A 42 0.278 2.570 -7.486 1.00 0.00 C ATOM 640 O PHE A 42 -0.442 1.807 -8.131 1.00 0.00 O ATOM 641 CB PHE A 42 2.335 2.195 -6.200 1.00 0.00 C ATOM 642 CG PHE A 42 2.942 2.273 -4.823 1.00 0.00 C ATOM 643 CD1 PHE A 42 3.025 1.126 -4.031 1.00 0.00 C ATOM 644 CD2 PHE A 42 3.446 3.490 -4.351 1.00 0.00 C ATOM 645 CE1 PHE A 42 3.611 1.196 -2.765 1.00 0.00 C ATOM 646 CE2 PHE A 42 4.030 3.559 -3.085 1.00 0.00 C ATOM 647 CZ PHE A 42 4.115 2.416 -2.293 1.00 0.00 C ATOM 0 H PHE A 42 0.481 0.132 -6.398 1.00 0.00 H new ATOM 0 HA PHE A 42 0.466 2.895 -5.363 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.682 1.294 -6.706 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.666 3.044 -6.798 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.637 0.187 -4.397 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.383 4.376 -4.966 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.676 0.311 -2.150 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.416 4.499 -2.719 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.569 2.470 -1.315 1.00 0.00 H new ATOM 657 N LYS A 43 0.670 3.759 -7.931 1.00 0.00 N ATOM 658 CA LYS A 43 0.262 4.251 -9.242 1.00 0.00 C ATOM 659 C LYS A 43 1.482 4.763 -9.997 1.00 0.00 C ATOM 660 O LYS A 43 2.396 5.322 -9.401 1.00 0.00 O ATOM 661 CB LYS A 43 -0.759 5.384 -9.112 1.00 0.00 C ATOM 662 CG LYS A 43 -1.777 5.271 -10.249 1.00 0.00 C ATOM 663 CD LYS A 43 -2.582 6.568 -10.359 1.00 0.00 C ATOM 664 CE LYS A 43 -3.986 6.255 -10.888 1.00 0.00 C ATOM 665 NZ LYS A 43 -4.979 6.430 -9.790 1.00 0.00 N ATOM 0 H LYS A 43 1.267 4.398 -7.406 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.199 3.427 -9.786 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.264 5.327 -8.148 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.256 6.350 -9.152 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.264 5.071 -11.190 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.447 4.431 -10.066 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.648 7.051 -9.384 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.077 7.266 -11.027 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.228 6.915 -11.721 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.024 5.234 -11.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.830 5.871 -9.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.565 6.107 -8.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.236 7.435 -9.711 1.00 0.00 H new ATOM 679 N LEU A 44 1.493 4.569 -11.313 1.00 0.00 N ATOM 680 CA LEU A 44 2.623 5.030 -12.121 1.00 0.00 C ATOM 681 C LEU A 44 2.136 5.908 -13.270 1.00 0.00 C ATOM 682 O LEU A 44 0.935 6.093 -13.463 1.00 0.00 O ATOM 683 CB LEU A 44 3.454 3.860 -12.682 1.00 0.00 C ATOM 684 CG LEU A 44 2.707 2.555 -13.013 1.00 0.00 C ATOM 685 CD1 LEU A 44 2.189 1.900 -11.730 1.00 0.00 C ATOM 686 CD2 LEU A 44 1.535 2.838 -13.957 1.00 0.00 C ATOM 0 H LEU A 44 0.750 4.106 -11.836 1.00 0.00 H new ATOM 0 HA LEU A 44 3.267 5.612 -11.462 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.950 4.204 -13.590 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.237 3.626 -11.960 1.00 0.00 H new ATOM 0 HG LEU A 44 3.403 1.875 -13.504 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.663 0.978 -11.979 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.029 1.673 -11.073 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.506 2.582 -11.223 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.016 1.906 -14.182 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.843 3.532 -13.480 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.910 3.277 -14.881 1.00 0.00 H new ATOM 698 N LYS A 45 3.086 6.456 -14.026 1.00 0.00 N ATOM 699 CA LYS A 45 2.745 7.329 -15.151 1.00 0.00 C ATOM 700 C LYS A 45 2.333 6.535 -16.395 1.00 0.00 C ATOM 701 O LYS A 45 2.045 7.119 -17.439 1.00 0.00 O ATOM 702 CB LYS A 45 3.936 8.220 -15.511 1.00 0.00 C ATOM 703 CG LYS A 45 4.219 9.189 -14.362 1.00 0.00 C ATOM 704 CD LYS A 45 5.537 9.919 -14.626 1.00 0.00 C ATOM 705 CE LYS A 45 5.675 11.095 -13.656 1.00 0.00 C ATOM 706 NZ LYS A 45 7.110 11.474 -13.538 1.00 0.00 N ATOM 0 H LYS A 45 4.086 6.314 -13.884 1.00 0.00 H new ATOM 0 HA LYS A 45 1.898 7.936 -14.833 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.815 7.607 -15.708 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.724 8.776 -16.425 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.405 9.908 -14.269 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.274 8.646 -13.419 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.375 9.233 -14.504 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.566 10.278 -15.655 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.091 11.944 -14.012 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.278 10.822 -12.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.205 12.273 -12.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.655 10.664 -13.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.474 11.751 -14.472 1.00 0.00 H new ATOM 720 N ARG A 46 2.298 5.205 -16.285 1.00 0.00 N ATOM 721 CA ARG A 46 1.908 4.374 -17.421 1.00 0.00 C ATOM 722 C ARG A 46 0.397 4.110 -17.428 1.00 0.00 C ATOM 723 O ARG A 46 -0.069 3.155 -18.050 1.00 0.00 O ATOM 724 CB ARG A 46 2.642 3.032 -17.373 1.00 0.00 C ATOM 725 CG ARG A 46 2.899 2.535 -18.796 1.00 0.00 C ATOM 726 CD ARG A 46 3.836 1.327 -18.752 1.00 0.00 C ATOM 727 NE ARG A 46 4.237 0.933 -20.104 1.00 0.00 N ATOM 728 CZ ARG A 46 5.151 1.618 -20.806 1.00 0.00 C ATOM 729 NH1 ARG A 46 5.726 2.688 -20.310 1.00 0.00 N ATOM 730 NH2 ARG A 46 5.473 1.214 -22.004 1.00 0.00 N ATOM 0 H ARG A 46 2.531 4.690 -15.436 1.00 0.00 H new ATOM 0 HA ARG A 46 2.177 4.915 -18.328 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.586 3.142 -16.840 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.049 2.301 -16.824 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.958 2.262 -19.273 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.341 3.330 -19.396 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.720 1.567 -18.161 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.339 0.493 -18.257 1.00 0.00 H new ATOM 0 HE ARG A 46 3.807 0.110 -20.526 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.480 3.012 -19.375 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.419 3.196 -20.860 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.030 0.384 -22.398 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.167 1.728 -22.546 1.00 0.00 H new ATOM 744 N GLY A 47 -0.368 4.957 -16.733 1.00 0.00 N ATOM 745 CA GLY A 47 -1.817 4.788 -16.678 1.00 0.00 C ATOM 746 C GLY A 47 -2.178 3.444 -16.057 1.00 0.00 C ATOM 747 O GLY A 47 -3.017 2.710 -16.576 1.00 0.00 O ATOM 0 H GLY A 47 -0.011 5.756 -16.208 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.261 5.595 -16.095 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.234 4.854 -17.683 1.00 0.00 H new ATOM 751 N LYS A 48 -1.528 3.130 -14.939 1.00 0.00 N ATOM 752 CA LYS A 48 -1.786 1.865 -14.255 1.00 0.00 C ATOM 753 C LYS A 48 -1.345 1.944 -12.797 1.00 0.00 C ATOM 754 O LYS A 48 -0.929 2.998 -12.316 1.00 0.00 O ATOM 755 CB LYS A 48 -1.033 0.723 -14.946 1.00 0.00 C ATOM 756 CG LYS A 48 -1.943 0.061 -15.983 1.00 0.00 C ATOM 757 CD LYS A 48 -1.330 -1.269 -16.425 1.00 0.00 C ATOM 758 CE LYS A 48 -0.043 -1.005 -17.209 1.00 0.00 C ATOM 759 NZ LYS A 48 0.584 -2.303 -17.585 1.00 0.00 N ATOM 0 H LYS A 48 -0.829 3.724 -14.493 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.858 1.672 -14.296 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.134 1.106 -15.428 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.710 -0.012 -14.209 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.933 -0.106 -15.560 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.071 0.718 -16.843 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.117 -1.890 -15.555 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.038 -1.820 -17.044 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.262 -0.422 -18.104 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.648 -0.416 -16.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.459 -2.124 -18.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.807 -2.843 -16.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.076 -2.849 -18.175 1.00 0.00 H new ATOM 773 N GLU A 49 -1.443 0.816 -12.098 1.00 0.00 N ATOM 774 CA GLU A 49 -1.052 0.771 -10.692 1.00 0.00 C ATOM 775 C GLU A 49 -0.119 -0.403 -10.430 1.00 0.00 C ATOM 776 O GLU A 49 -0.210 -1.451 -11.069 1.00 0.00 O ATOM 777 CB GLU A 49 -2.285 0.642 -9.795 1.00 0.00 C ATOM 778 CG GLU A 49 -2.949 2.012 -9.643 1.00 0.00 C ATOM 779 CD GLU A 49 -4.264 1.859 -8.888 1.00 0.00 C ATOM 780 OE1 GLU A 49 -4.220 1.771 -7.672 1.00 0.00 O ATOM 781 OE2 GLU A 49 -5.297 1.832 -9.537 1.00 0.00 O ATOM 0 H GLU A 49 -1.785 -0.068 -12.476 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.532 1.701 -10.461 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.989 -0.070 -10.226 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.998 0.254 -8.818 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.287 2.691 -9.107 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.130 2.451 -10.624 1.00 0.00 H new ATOM 788 N ALA A 50 0.784 -0.203 -9.477 1.00 0.00 N ATOM 789 CA ALA A 50 1.747 -1.234 -9.116 1.00 0.00 C ATOM 790 C ALA A 50 1.354 -1.882 -7.793 1.00 0.00 C ATOM 791 O ALA A 50 0.549 -1.343 -7.041 1.00 0.00 O ATOM 792 CB ALA A 50 3.140 -0.616 -8.984 1.00 0.00 C ATOM 0 H ALA A 50 0.869 0.661 -8.942 1.00 0.00 H new ATOM 0 HA ALA A 50 1.756 -1.994 -9.897 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.858 -1.391 -8.714 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.431 -0.168 -9.934 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.126 0.151 -8.210 1.00 0.00 H new ATOM 798 N CYS A 51 1.930 -3.044 -7.515 1.00 0.00 N ATOM 799 CA CYS A 51 1.623 -3.748 -6.272 1.00 0.00 C ATOM 800 C CYS A 51 2.805 -3.693 -5.315 1.00 0.00 C ATOM 801 O CYS A 51 3.964 -3.659 -5.727 1.00 0.00 O ATOM 802 CB CYS A 51 1.273 -5.208 -6.554 1.00 0.00 C ATOM 803 SG CYS A 51 -0.458 -5.324 -7.079 1.00 0.00 S ATOM 0 H CYS A 51 2.602 -3.515 -8.121 1.00 0.00 H new ATOM 0 HA CYS A 51 0.767 -3.253 -5.813 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.927 -5.607 -7.330 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.434 -5.811 -5.660 1.00 0.00 H new ATOM 808 N ALA A 52 2.486 -3.689 -4.028 1.00 0.00 N ATOM 809 CA ALA A 52 3.507 -3.641 -2.989 1.00 0.00 C ATOM 810 C ALA A 52 2.947 -4.230 -1.701 1.00 0.00 C ATOM 811 O ALA A 52 1.748 -4.481 -1.591 1.00 0.00 O ATOM 812 CB ALA A 52 3.949 -2.200 -2.734 1.00 0.00 C ATOM 0 H ALA A 52 1.528 -3.718 -3.678 1.00 0.00 H new ATOM 0 HA ALA A 52 4.369 -4.220 -3.321 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.711 -2.186 -1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.359 -1.778 -3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.092 -1.608 -2.414 1.00 0.00 H new ATOM 818 N LEU A 53 3.824 -4.460 -0.731 1.00 0.00 N ATOM 819 CA LEU A 53 3.387 -5.034 0.535 1.00 0.00 C ATOM 820 C LEU A 53 2.666 -3.986 1.383 1.00 0.00 C ATOM 821 O LEU A 53 1.444 -3.926 1.365 1.00 0.00 O ATOM 822 CB LEU A 53 4.582 -5.616 1.307 1.00 0.00 C ATOM 823 CG LEU A 53 4.807 -7.124 1.133 1.00 0.00 C ATOM 824 CD1 LEU A 53 3.500 -7.888 1.413 1.00 0.00 C ATOM 825 CD2 LEU A 53 5.280 -7.412 -0.299 1.00 0.00 C ATOM 0 H LEU A 53 4.823 -4.262 -0.794 1.00 0.00 H new ATOM 0 HA LEU A 53 2.688 -5.842 0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.485 -5.093 0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.444 -5.406 2.368 1.00 0.00 H new ATOM 0 HG LEU A 53 5.569 -7.455 1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.669 -8.957 1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.174 -7.690 2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.729 -7.558 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.439 -8.483 -0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.523 -7.075 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.214 -6.883 -0.487 1.00 0.00 H new ATOM 837 N ASP A 54 3.448 -3.172 2.114 1.00 0.00 N ATOM 838 CA ASP A 54 2.926 -2.099 2.990 1.00 0.00 C ATOM 839 C ASP A 54 3.883 -1.906 4.165 1.00 0.00 C ATOM 840 O ASP A 54 4.450 -2.864 4.691 1.00 0.00 O ATOM 841 CB ASP A 54 1.511 -2.392 3.557 1.00 0.00 C ATOM 842 CG ASP A 54 1.066 -1.276 4.505 1.00 0.00 C ATOM 843 OD1 ASP A 54 1.424 -0.137 4.256 1.00 0.00 O ATOM 844 OD2 ASP A 54 0.376 -1.580 5.463 1.00 0.00 O ATOM 0 H ASP A 54 4.466 -3.238 2.116 1.00 0.00 H new ATOM 0 HA ASP A 54 2.849 -1.204 2.373 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.798 -2.486 2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.516 -3.345 4.086 1.00 0.00 H new ATOM 849 N THR A 55 4.028 -0.657 4.580 1.00 0.00 N ATOM 850 CA THR A 55 4.887 -0.327 5.711 1.00 0.00 C ATOM 851 C THR A 55 6.340 -0.746 5.480 1.00 0.00 C ATOM 852 O THR A 55 7.120 -0.822 6.430 1.00 0.00 O ATOM 853 CB THR A 55 4.376 -1.010 6.982 1.00 0.00 C ATOM 854 OG1 THR A 55 2.973 -0.816 7.090 1.00 0.00 O ATOM 855 CG2 THR A 55 5.072 -0.414 8.210 1.00 0.00 C ATOM 0 H THR A 55 3.564 0.145 4.153 1.00 0.00 H new ATOM 0 HA THR A 55 4.856 0.757 5.821 1.00 0.00 H new ATOM 0 HB THR A 55 4.595 -2.077 6.930 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.644 -1.254 7.902 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.704 -0.905 9.111 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.148 -0.566 8.128 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.860 0.654 8.266 1.00 0.00 H new ATOM 863 N VAL A 56 6.718 -0.998 4.223 1.00 0.00 N ATOM 864 CA VAL A 56 8.104 -1.380 3.944 1.00 0.00 C ATOM 865 C VAL A 56 9.013 -0.179 4.266 1.00 0.00 C ATOM 866 O VAL A 56 8.637 0.688 5.057 1.00 0.00 O ATOM 867 CB VAL A 56 8.292 -1.844 2.476 1.00 0.00 C ATOM 868 CG1 VAL A 56 7.247 -2.900 2.111 1.00 0.00 C ATOM 869 CG2 VAL A 56 8.145 -0.666 1.515 1.00 0.00 C ATOM 0 H VAL A 56 6.107 -0.947 3.408 1.00 0.00 H new ATOM 0 HA VAL A 56 8.373 -2.230 4.571 1.00 0.00 H new ATOM 0 HB VAL A 56 9.293 -2.267 2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.393 -3.215 1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.354 -3.761 2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.248 -2.478 2.224 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.280 -1.013 0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.151 -0.231 1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.898 0.088 1.745 1.00 0.00 H new ATOM 879 N GLY A 57 10.197 -0.121 3.659 1.00 0.00 N ATOM 880 CA GLY A 57 11.106 0.995 3.918 1.00 0.00 C ATOM 881 C GLY A 57 10.992 2.060 2.830 1.00 0.00 C ATOM 882 O GLY A 57 11.059 3.258 3.102 1.00 0.00 O ATOM 0 H GLY A 57 10.545 -0.816 2.999 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.878 1.436 4.888 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.132 0.629 3.967 1.00 0.00 H new ATOM 886 N TRP A 58 10.839 1.603 1.593 1.00 0.00 N ATOM 887 CA TRP A 58 10.738 2.511 0.452 1.00 0.00 C ATOM 888 C TRP A 58 9.315 3.063 0.261 1.00 0.00 C ATOM 889 O TRP A 58 9.109 3.988 -0.525 1.00 0.00 O ATOM 890 CB TRP A 58 11.197 1.787 -0.821 1.00 0.00 C ATOM 891 CG TRP A 58 10.242 0.682 -1.158 1.00 0.00 C ATOM 892 CD1 TRP A 58 10.389 -0.623 -0.825 1.00 0.00 C ATOM 893 CD2 TRP A 58 8.997 0.778 -1.893 1.00 0.00 C ATOM 894 NE1 TRP A 58 9.300 -1.330 -1.312 1.00 0.00 N ATOM 895 CE2 TRP A 58 8.419 -0.507 -1.984 1.00 0.00 C ATOM 896 CE3 TRP A 58 8.323 1.853 -2.485 1.00 0.00 C ATOM 897 CZ2 TRP A 58 7.210 -0.715 -2.645 1.00 0.00 C ATOM 898 CZ3 TRP A 58 7.107 1.650 -3.153 1.00 0.00 C ATOM 899 CH2 TRP A 58 6.554 0.366 -3.234 1.00 0.00 C ATOM 0 H TRP A 58 10.782 0.613 1.353 1.00 0.00 H new ATOM 0 HA TRP A 58 11.385 3.364 0.653 1.00 0.00 H new ATOM 0 HB2 TRP A 58 11.255 2.493 -1.649 1.00 0.00 H new ATOM 0 HB3 TRP A 58 12.198 1.381 -0.677 1.00 0.00 H new ATOM 0 HD1 TRP A 58 11.216 -1.043 -0.272 1.00 0.00 H new ATOM 0 HE1 TRP A 58 9.167 -2.334 -1.189 1.00 0.00 H new ATOM 0 HE3 TRP A 58 8.743 2.846 -2.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 6.784 -1.706 -2.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 6.595 2.486 -3.606 1.00 0.00 H new ATOM 0 HH2 TRP A 58 5.619 0.213 -3.753 1.00 0.00 H new ATOM 910 N VAL A 59 8.339 2.508 0.979 1.00 0.00 N ATOM 911 CA VAL A 59 6.966 2.996 0.854 1.00 0.00 C ATOM 912 C VAL A 59 6.807 4.261 1.692 1.00 0.00 C ATOM 913 O VAL A 59 6.114 5.194 1.299 1.00 0.00 O ATOM 914 CB VAL A 59 5.948 1.924 1.313 1.00 0.00 C ATOM 915 CG1 VAL A 59 4.542 2.527 1.471 1.00 0.00 C ATOM 916 CG2 VAL A 59 5.890 0.795 0.277 1.00 0.00 C ATOM 0 H VAL A 59 8.467 1.740 1.637 1.00 0.00 H new ATOM 0 HA VAL A 59 6.767 3.218 -0.194 1.00 0.00 H new ATOM 0 HB VAL A 59 6.275 1.537 2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.848 1.751 1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.569 3.323 2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.211 2.935 0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.173 0.041 0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.580 1.201 -0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.876 0.340 0.179 1.00 0.00 H new ATOM 926 N GLN A 60 7.454 4.272 2.853 1.00 0.00 N ATOM 927 CA GLN A 60 7.368 5.424 3.751 1.00 0.00 C ATOM 928 C GLN A 60 7.820 6.698 3.047 1.00 0.00 C ATOM 929 O GLN A 60 7.148 7.726 3.116 1.00 0.00 O ATOM 930 CB GLN A 60 8.222 5.218 5.017 1.00 0.00 C ATOM 931 CG GLN A 60 8.073 3.786 5.576 1.00 0.00 C ATOM 932 CD GLN A 60 6.601 3.370 5.631 1.00 0.00 C ATOM 933 OE1 GLN A 60 6.137 2.569 4.713 1.00 0.00 O flip ATOM 934 NE2 GLN A 60 5.862 3.782 6.525 1.00 0.00 N flip ATOM 0 H GLN A 60 8.037 3.508 3.193 1.00 0.00 H new ATOM 0 HA GLN A 60 6.322 5.522 4.043 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.269 5.412 4.786 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.925 5.939 5.778 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.629 3.088 4.950 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.507 3.734 6.575 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.229 4.409 7.242 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.883 3.497 6.549 1.00 0.00 H new ATOM 943 N ARG A 61 8.960 6.627 2.361 1.00 0.00 N ATOM 944 CA ARG A 61 9.460 7.802 1.654 1.00 0.00 C ATOM 945 C ARG A 61 8.532 8.158 0.488 1.00 0.00 C ATOM 946 O ARG A 61 8.446 9.318 0.084 1.00 0.00 O ATOM 947 CB ARG A 61 10.891 7.579 1.146 1.00 0.00 C ATOM 948 CG ARG A 61 10.930 6.421 0.151 1.00 0.00 C ATOM 949 CD ARG A 61 12.315 5.773 0.179 1.00 0.00 C ATOM 950 NE ARG A 61 12.576 5.167 1.487 1.00 0.00 N ATOM 951 CZ ARG A 61 13.816 4.877 1.906 1.00 0.00 C ATOM 952 NH1 ARG A 61 14.863 5.117 1.152 1.00 0.00 N ATOM 953 NH2 ARG A 61 13.985 4.342 3.084 1.00 0.00 N ATOM 0 H ARG A 61 9.540 5.792 2.281 1.00 0.00 H new ATOM 0 HA ARG A 61 9.478 8.634 2.358 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.260 8.488 0.670 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.553 7.367 1.986 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.167 5.685 0.403 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.706 6.782 -0.853 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.382 5.013 -0.600 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.077 6.521 -0.039 1.00 0.00 H new ATOM 0 HE ARG A 61 11.788 4.959 2.100 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.742 5.532 0.228 1.00 0.00 H new ATOM 0 HH12 ARG A 61 15.798 4.889 1.490 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.178 4.148 3.677 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.924 4.118 3.412 1.00 0.00 H new ATOM 967 N HIS A 62 7.824 7.156 -0.034 1.00 0.00 N ATOM 968 CA HIS A 62 6.893 7.391 -1.135 1.00 0.00 C ATOM 969 C HIS A 62 5.573 7.958 -0.618 1.00 0.00 C ATOM 970 O HIS A 62 4.998 8.864 -1.215 1.00 0.00 O ATOM 971 CB HIS A 62 6.603 6.093 -1.894 1.00 0.00 C ATOM 972 CG HIS A 62 7.696 5.828 -2.892 1.00 0.00 C ATOM 973 ND1 HIS A 62 9.014 5.635 -2.517 1.00 0.00 N ATOM 974 CD2 HIS A 62 7.679 5.734 -4.262 1.00 0.00 C ATOM 975 CE1 HIS A 62 9.731 5.442 -3.640 1.00 0.00 C ATOM 976 NE2 HIS A 62 8.965 5.490 -4.731 1.00 0.00 N ATOM 0 H HIS A 62 7.876 6.188 0.283 1.00 0.00 H new ATOM 0 HA HIS A 62 7.363 8.109 -1.807 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.529 5.261 -1.194 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.643 6.167 -2.404 1.00 0.00 H new ATOM 0 HD2 HIS A 62 6.800 5.834 -4.881 1.00 0.00 H new ATOM 0 HE1 HIS A 62 10.797 5.269 -3.656 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.259 5.373 -5.701 1.00 0.00 H new ATOM 984 N ARG A 63 5.098 7.411 0.496 1.00 0.00 N ATOM 985 CA ARG A 63 3.834 7.870 1.075 1.00 0.00 C ATOM 986 C ARG A 63 4.036 9.144 1.892 1.00 0.00 C ATOM 987 O ARG A 63 3.111 9.938 2.056 1.00 0.00 O ATOM 988 CB ARG A 63 3.193 6.789 1.959 1.00 0.00 C ATOM 989 CG ARG A 63 4.214 6.222 2.952 1.00 0.00 C ATOM 990 CD ARG A 63 3.711 6.407 4.388 1.00 0.00 C ATOM 991 NE ARG A 63 4.004 7.758 4.871 1.00 0.00 N ATOM 992 CZ ARG A 63 3.377 8.286 5.933 1.00 0.00 C ATOM 993 NH1 ARG A 63 2.469 7.609 6.593 1.00 0.00 N ATOM 994 NH2 ARG A 63 3.677 9.498 6.315 1.00 0.00 N ATOM 0 H ARG A 63 5.558 6.661 1.012 1.00 0.00 H new ATOM 0 HA ARG A 63 3.162 8.082 0.244 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.347 7.211 2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.802 5.986 1.334 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.380 5.164 2.750 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.173 6.725 2.827 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.637 6.227 4.428 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.182 5.672 5.041 1.00 0.00 H new ATOM 0 HE ARG A 63 4.707 8.315 4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.227 6.662 6.302 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.004 8.029 7.398 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.382 10.033 5.807 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.207 9.910 7.121 1.00 0.00 H new ATOM 1008 N LYS A 64 5.253 9.344 2.392 1.00 0.00 N ATOM 1009 CA LYS A 64 5.543 10.545 3.173 1.00 0.00 C ATOM 1010 C LYS A 64 5.491 11.775 2.267 1.00 0.00 C ATOM 1011 O LYS A 64 5.155 12.874 2.708 1.00 0.00 O ATOM 1012 CB LYS A 64 6.929 10.451 3.820 1.00 0.00 C ATOM 1013 CG LYS A 64 7.150 11.652 4.743 1.00 0.00 C ATOM 1014 CD LYS A 64 8.090 11.254 5.882 1.00 0.00 C ATOM 1015 CE LYS A 64 7.274 10.671 7.038 1.00 0.00 C ATOM 1016 NZ LYS A 64 6.764 11.778 7.895 1.00 0.00 N ATOM 0 H LYS A 64 6.040 8.705 2.275 1.00 0.00 H new ATOM 0 HA LYS A 64 4.793 10.632 3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.014 9.524 4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.700 10.426 3.050 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.575 12.483 4.180 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.197 11.994 5.147 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.816 10.521 5.529 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.654 12.122 6.223 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.441 10.084 6.650 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.892 9.995 7.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.210 11.382 8.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.566 12.320 8.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.160 12.406 7.327 1.00 0.00 H new ATOM 1030 N MET A 65 5.827 11.575 0.992 1.00 0.00 N ATOM 1031 CA MET A 65 5.815 12.670 0.028 1.00 0.00 C ATOM 1032 C MET A 65 4.499 12.684 -0.747 1.00 0.00 C ATOM 1033 O MET A 65 3.870 13.729 -0.912 1.00 0.00 O ATOM 1034 CB MET A 65 6.973 12.521 -0.960 1.00 0.00 C ATOM 1035 CG MET A 65 8.301 12.580 -0.201 1.00 0.00 C ATOM 1036 SD MET A 65 8.890 14.291 -0.136 1.00 0.00 S ATOM 1037 CE MET A 65 10.604 13.923 0.316 1.00 0.00 C ATOM 0 H MET A 65 6.108 10.673 0.608 1.00 0.00 H new ATOM 0 HA MET A 65 5.922 13.605 0.577 1.00 0.00 H new ATOM 0 HB2 MET A 65 6.889 11.575 -1.495 1.00 0.00 H new ATOM 0 HB3 MET A 65 6.933 13.314 -1.706 1.00 0.00 H new ATOM 0 HG2 MET A 65 8.171 12.191 0.809 1.00 0.00 H new ATOM 0 HG3 MET A 65 9.041 11.949 -0.693 1.00 0.00 H new ATOM 0 HE1 MET A 65 11.163 14.854 0.412 1.00 0.00 H new ATOM 0 HE2 MET A 65 10.623 13.389 1.266 1.00 0.00 H new ATOM 0 HE3 MET A 65 11.059 13.304 -0.457 1.00 0.00 H new ATOM 1047 N LEU A 66 4.093 11.508 -1.222 1.00 0.00 N ATOM 1048 CA LEU A 66 2.850 11.390 -1.982 1.00 0.00 C ATOM 1049 C LEU A 66 1.689 11.066 -1.047 1.00 0.00 C ATOM 1050 O LEU A 66 1.864 10.955 0.165 1.00 0.00 O ATOM 1051 CB LEU A 66 2.963 10.287 -3.038 1.00 0.00 C ATOM 1052 CG LEU A 66 3.898 10.594 -4.212 1.00 0.00 C ATOM 1053 CD1 LEU A 66 3.391 11.827 -4.960 1.00 0.00 C ATOM 1054 CD2 LEU A 66 5.312 10.864 -3.691 1.00 0.00 C ATOM 0 H LEU A 66 4.600 10.632 -1.096 1.00 0.00 H new ATOM 0 HA LEU A 66 2.667 12.343 -2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.307 9.375 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.968 10.082 -3.432 1.00 0.00 H new ATOM 0 HG LEU A 66 3.918 9.738 -4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.057 12.045 -5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.386 11.636 -5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.368 12.680 -4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.973 11.082 -4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.293 11.717 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.678 9.986 -3.159 1.00 0.00 H new ATOM 1066 N ARG A 67 0.499 10.921 -1.623 1.00 0.00 N ATOM 1067 CA ARG A 67 -0.684 10.615 -0.824 1.00 0.00 C ATOM 1068 C ARG A 67 -1.590 9.626 -1.552 1.00 0.00 C ATOM 1069 O ARG A 67 -1.285 9.175 -2.656 1.00 0.00 O ATOM 1070 CB ARG A 67 -1.475 11.891 -0.526 1.00 0.00 C ATOM 1071 CG ARG A 67 -1.814 12.601 -1.839 1.00 0.00 C ATOM 1072 CD ARG A 67 -2.606 13.876 -1.540 1.00 0.00 C ATOM 1073 NE ARG A 67 -2.595 14.775 -2.696 1.00 0.00 N ATOM 1074 CZ ARG A 67 -1.502 15.464 -3.053 1.00 0.00 C ATOM 1075 NH1 ARG A 67 -0.381 15.360 -2.379 1.00 0.00 N ATOM 1076 NH2 ARG A 67 -1.552 16.253 -4.092 1.00 0.00 N ATOM 0 H ARG A 67 0.329 11.009 -2.625 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.346 10.169 0.111 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.390 11.647 0.014 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.892 12.551 0.117 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.899 12.846 -2.379 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.396 11.941 -2.482 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.634 13.620 -1.282 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.177 14.382 -0.675 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.447 14.880 -3.247 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.330 14.746 -1.566 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.439 15.893 -2.668 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.418 16.341 -4.624 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.725 16.781 -4.371 1.00 0.00 H new ATOM 1090 N HIS A 68 -2.710 9.291 -0.909 1.00 0.00 N ATOM 1091 CA HIS A 68 -3.670 8.348 -1.483 1.00 0.00 C ATOM 1092 C HIS A 68 -4.082 8.759 -2.895 1.00 0.00 C ATOM 1093 O HIS A 68 -4.521 9.883 -3.135 1.00 0.00 O ATOM 1094 CB HIS A 68 -4.922 8.254 -0.603 1.00 0.00 C ATOM 1095 CG HIS A 68 -5.523 9.622 -0.395 1.00 0.00 C ATOM 1096 ND1 HIS A 68 -5.059 10.890 -0.657 1.00 0.00 N flip ATOM 1097 CD2 HIS A 68 -6.782 9.791 0.161 1.00 0.00 C flip ATOM 1098 CE1 HIS A 68 -6.011 11.826 -0.267 1.00 0.00 C flip ATOM 1099 NE2 HIS A 68 -7.029 11.112 0.217 1.00 0.00 N flip ATOM 0 H HIS A 68 -2.974 9.657 0.006 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.179 7.376 -1.531 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.654 7.596 -1.070 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.665 7.812 0.360 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.445 9.004 0.490 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -5.941 12.901 -0.340 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -7.889 11.518 0.585 1.00 0.00 H new ATOM 1107 N CYS A 69 -3.929 7.824 -3.830 1.00 0.00 N ATOM 1108 CA CYS A 69 -4.284 8.083 -5.225 1.00 0.00 C ATOM 1109 C CYS A 69 -5.771 8.443 -5.342 1.00 0.00 C ATOM 1110 O CYS A 69 -6.559 8.126 -4.452 1.00 0.00 O ATOM 1111 CB CYS A 69 -4.005 6.851 -6.089 1.00 0.00 C ATOM 1112 SG CYS A 69 -2.283 6.332 -5.878 1.00 0.00 S ATOM 0 H CYS A 69 -3.565 6.888 -3.651 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.676 8.918 -5.575 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -4.676 6.039 -5.809 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.200 7.078 -7.137 1.00 0.00 H new ATOM 1117 N PRO A 70 -6.177 9.107 -6.438 1.00 0.00 N ATOM 1118 CA PRO A 70 -7.586 9.492 -6.636 1.00 0.00 C ATOM 1119 C PRO A 70 -8.437 8.347 -7.181 1.00 0.00 C ATOM 1120 O PRO A 70 -9.620 8.225 -6.862 1.00 0.00 O ATOM 1121 CB PRO A 70 -7.475 10.618 -7.658 1.00 0.00 C ATOM 1122 CG PRO A 70 -6.161 10.416 -8.405 1.00 0.00 C ATOM 1123 CD PRO A 70 -5.274 9.514 -7.541 1.00 0.00 C ATOM 0 HA PRO A 70 -8.077 9.776 -5.705 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.318 10.596 -8.348 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.492 11.590 -7.164 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -6.340 9.959 -9.378 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.672 11.373 -8.587 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.909 8.653 -8.101 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.399 10.047 -7.169 1.00 0.00 H new ATOM 1131 N SER A 71 -7.818 7.506 -8.008 1.00 0.00 N ATOM 1132 CA SER A 71 -8.523 6.369 -8.596 1.00 0.00 C ATOM 1133 C SER A 71 -9.704 6.844 -9.435 1.00 0.00 C ATOM 1134 O SER A 71 -10.051 8.025 -9.433 1.00 0.00 O ATOM 1135 CB SER A 71 -9.036 5.430 -7.503 1.00 0.00 C ATOM 1136 OG SER A 71 -9.487 4.220 -8.096 1.00 0.00 O ATOM 0 H SER A 71 -6.840 7.589 -8.284 1.00 0.00 H new ATOM 0 HA SER A 71 -7.818 5.835 -9.233 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.243 5.223 -6.784 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.849 5.904 -6.953 1.00 0.00 H new ATOM 0 HG SER A 71 -9.815 3.616 -7.398 1.00 0.00 H new ATOM 1142 N LYS A 72 -10.319 5.909 -10.154 1.00 0.00 N ATOM 1143 CA LYS A 72 -11.464 6.239 -10.998 1.00 0.00 C ATOM 1144 C LYS A 72 -12.643 6.688 -10.140 1.00 0.00 C ATOM 1145 O LYS A 72 -12.831 6.213 -9.020 1.00 0.00 O ATOM 1146 CB LYS A 72 -11.884 5.027 -11.830 1.00 0.00 C ATOM 1147 CG LYS A 72 -10.794 4.708 -12.854 1.00 0.00 C ATOM 1148 CD LYS A 72 -10.760 3.201 -13.113 1.00 0.00 C ATOM 1149 CE LYS A 72 -9.951 2.916 -14.380 1.00 0.00 C ATOM 1150 NZ LYS A 72 -8.506 3.157 -14.110 1.00 0.00 N ATOM 0 H LYS A 72 -10.047 4.926 -10.170 1.00 0.00 H new ATOM 0 HA LYS A 72 -11.169 7.049 -11.665 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.051 4.167 -11.181 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.827 5.230 -12.338 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.987 5.243 -13.784 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.825 5.046 -12.486 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.315 2.685 -12.262 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.774 2.818 -13.223 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.106 1.885 -14.699 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.292 3.556 -15.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.950 2.915 -14.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.359 4.159 -13.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.199 2.565 -13.312 1.00 0.00 H new ATOM 1164 N ARG A 73 -13.436 7.608 -10.681 1.00 0.00 N ATOM 1165 CA ARG A 73 -14.597 8.119 -9.959 1.00 0.00 C ATOM 1166 C ARG A 73 -15.871 7.433 -10.447 1.00 0.00 C ATOM 1167 O ARG A 73 -16.939 8.043 -10.512 1.00 0.00 O ATOM 1168 CB ARG A 73 -14.729 9.631 -10.163 1.00 0.00 C ATOM 1169 CG ARG A 73 -13.979 10.364 -9.049 1.00 0.00 C ATOM 1170 CD ARG A 73 -14.806 10.320 -7.763 1.00 0.00 C ATOM 1171 NE ARG A 73 -14.054 10.891 -6.644 1.00 0.00 N ATOM 1172 CZ ARG A 73 -14.433 10.719 -5.368 1.00 0.00 C ATOM 1173 NH1 ARG A 73 -15.503 10.024 -5.065 1.00 0.00 N ATOM 1174 NH2 ARG A 73 -13.723 11.254 -4.412 1.00 0.00 N ATOM 0 H ARG A 73 -13.298 8.012 -11.608 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.457 7.909 -8.899 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.325 9.914 -11.135 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.780 9.919 -10.159 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.006 9.900 -8.885 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.794 11.398 -9.340 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.735 10.873 -7.903 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.079 9.290 -7.536 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.215 11.437 -6.840 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.064 9.603 -5.805 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.774 9.905 -4.089 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.889 11.796 -4.638 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.002 11.130 -3.439 1.00 0.00 H new ATOM 1188 N LYS A 74 -15.745 6.154 -10.790 1.00 0.00 N ATOM 1189 CA LYS A 74 -16.892 5.388 -11.271 1.00 0.00 C ATOM 1190 C LYS A 74 -17.451 4.509 -10.157 1.00 0.00 C ATOM 1191 O LYS A 74 -16.715 3.666 -9.670 1.00 0.00 O ATOM 1192 CB LYS A 74 -16.488 4.502 -12.451 1.00 0.00 C ATOM 1193 CG LYS A 74 -16.443 5.340 -13.729 1.00 0.00 C ATOM 1194 CD LYS A 74 -15.079 6.024 -13.843 1.00 0.00 C ATOM 1195 CE LYS A 74 -14.978 6.741 -15.191 1.00 0.00 C ATOM 1196 NZ LYS A 74 -15.826 7.966 -15.165 1.00 0.00 N ATOM 1197 OXT LYS A 74 -18.605 4.692 -9.807 1.00 0.00 O ATOM 0 H LYS A 74 -14.871 5.630 -10.745 1.00 0.00 H new ATOM 0 HA LYS A 74 -17.657 6.095 -11.594 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -15.513 4.052 -12.264 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -17.199 3.684 -12.565 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -16.618 4.706 -14.598 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -17.236 6.087 -13.715 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.949 6.737 -13.029 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.282 5.286 -13.751 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.941 7.007 -15.397 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.302 6.078 -15.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.655 8.525 -16.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -16.829 7.693 -15.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.587 8.536 -14.329 1.00 0.00 H new TER 1211 LYS A 74