USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 748 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 TYR OH : rot -33:sc= 1.34 USER MOD Set 1.2: A 102 HIS :FLIP no HD1:sc=-0.000365 F(o=0.55,f=2) USER MOD Set 1.3: A 105 SER OG : rot -167:sc= 0.704 USER MOD Set 2.1: A 53 HIS : no HD1:sc= -0.643 K(o=-0.29,f=-1!) USER MOD Set 2.2: A 94 SER OG : rot 160:sc= 0.354 USER MOD Set 3.1: A 89 HIS : no HD1:sc= 1.07 K(o=2.3,f=-4.7!) USER MOD Set 3.2: A 119 THR OG1 : rot 89:sc= 1.27 USER MOD Set 4.1: A 64 MET CE :methyl -163:sc= -0.174 (180deg=-0.317) USER MOD Set 4.2: A 67 GLN : amide:sc= 1.07 K(o=0.89,f=-0.16) USER MOD Set 5.1: A 28 HIS : no HD1:sc= 1.06 K(o=2.3,f=-5.4!) USER MOD Set 5.2: A 40 SER OG : rot -113:sc= 1.22 USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.18) USER MOD Single : A 29 SER OG : rot 62:sc= 1.06 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -175:sc= 2 (180deg=1.97) USER MOD Single : A 47 TYR OH : rot -13:sc= 1.29 USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00433) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -161:sc= 1.87 (180deg=1.15!) USER MOD Single : A 61 SER OG : rot -93:sc= 1.32 USER MOD Single : A 65 GLN : amide:sc= 0.655 K(o=0.66,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 154:sc= 1.2 (180deg=0.543) USER MOD Single : A 69 CYS SG : rot -79:sc= -0.334 USER MOD Single : A 71 CYS SG : rot 67:sc= -1.43 USER MOD Single : A 73 CYS SG : rot 141:sc= 2.04 USER MOD Single : A 80 SER OG : rot 180:sc= -0.0947 USER MOD Single : A 91 TYR OH : rot 180:sc= 0.331 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 176:sc= 0 (180deg=-0.0129) USER MOD Single : A 97 TYR OH : rot 80:sc=-0.00406 USER MOD Single : A 101 GLN : amide:sc= -0.0936 X(o=-0.094,f=-0.094) USER MOD Single : A 106 THR OG1 : rot 37:sc= 0.977 USER MOD Single : A 108 LYS NZ :NH3+ -102:sc= 1.69 (180deg=0.0817) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N ASP A 5 8.474 11.453 4.222 1.00 0.00 N ATOM 57 CA ASP A 5 7.189 11.206 3.576 1.00 0.00 C ATOM 58 C ASP A 5 7.464 11.192 2.075 1.00 0.00 C ATOM 59 O ASP A 5 8.445 11.800 1.637 1.00 0.00 O ATOM 60 CB ASP A 5 6.192 12.316 3.933 1.00 0.00 C ATOM 61 CG ASP A 5 4.866 12.124 3.185 1.00 0.00 C ATOM 62 OD1 ASP A 5 4.013 11.341 3.659 1.00 0.00 O ATOM 63 OD2 ASP A 5 4.694 12.733 2.107 1.00 0.00 O ATOM 0 HA ASP A 5 6.751 10.264 3.905 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.011 12.315 5.008 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.618 13.287 3.682 1.00 0.00 H new ATOM 68 N LEU A 6 6.637 10.525 1.268 1.00 0.00 N ATOM 69 CA LEU A 6 6.858 10.422 -0.171 1.00 0.00 C ATOM 70 C LEU A 6 6.934 11.791 -0.862 1.00 0.00 C ATOM 71 O LEU A 6 7.630 11.912 -1.871 1.00 0.00 O ATOM 72 CB LEU A 6 5.764 9.554 -0.817 1.00 0.00 C ATOM 73 CG LEU A 6 5.724 8.065 -0.412 1.00 0.00 C ATOM 74 CD1 LEU A 6 4.865 7.309 -1.429 1.00 0.00 C ATOM 75 CD2 LEU A 6 7.101 7.392 -0.341 1.00 0.00 C ATOM 0 H LEU A 6 5.799 10.044 1.594 1.00 0.00 H new ATOM 0 HA LEU A 6 7.829 9.947 -0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.796 9.996 -0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.883 9.608 -1.899 1.00 0.00 H new ATOM 0 HG LEU A 6 5.309 8.028 0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.825 6.254 -1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.856 7.721 -1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.301 7.413 -2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.981 6.348 -0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.582 7.443 -1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.719 7.905 0.395 1.00 0.00 H new ATOM 87 N ALA A 7 6.270 12.827 -0.337 1.00 0.00 N ATOM 88 CA ALA A 7 6.376 14.180 -0.863 1.00 0.00 C ATOM 89 C ALA A 7 7.746 14.813 -0.572 1.00 0.00 C ATOM 90 O ALA A 7 8.174 15.709 -1.300 1.00 0.00 O ATOM 91 CB ALA A 7 5.262 15.053 -0.274 1.00 0.00 C ATOM 0 H ALA A 7 5.645 12.744 0.465 1.00 0.00 H new ATOM 0 HA ALA A 7 6.270 14.120 -1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.345 16.065 -0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.292 14.636 -0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.356 15.080 0.812 1.00 0.00 H new ATOM 97 N LEU A 8 8.419 14.379 0.501 1.00 0.00 N ATOM 98 CA LEU A 8 9.700 14.922 0.951 1.00 0.00 C ATOM 99 C LEU A 8 10.872 14.179 0.309 1.00 0.00 C ATOM 100 O LEU A 8 11.939 14.775 0.145 1.00 0.00 O ATOM 101 CB LEU A 8 9.818 14.829 2.485 1.00 0.00 C ATOM 102 CG LEU A 8 8.759 15.624 3.275 1.00 0.00 C ATOM 103 CD1 LEU A 8 8.932 15.363 4.775 1.00 0.00 C ATOM 104 CD2 LEU A 8 8.842 17.133 3.010 1.00 0.00 C ATOM 0 H LEU A 8 8.077 13.622 1.093 1.00 0.00 H new ATOM 0 HA LEU A 8 9.738 15.968 0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.753 13.780 2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.807 15.180 2.779 1.00 0.00 H new ATOM 0 HG LEU A 8 7.780 15.283 2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.182 15.926 5.331 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.809 14.299 4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.928 15.678 5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.075 17.647 3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.826 17.500 3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.684 17.325 1.949 1.00 0.00 H new ATOM 116 N ILE A 9 10.700 12.901 -0.049 1.00 0.00 N ATOM 117 CA ILE A 9 11.720 12.116 -0.746 1.00 0.00 C ATOM 118 C ILE A 9 12.095 12.856 -2.049 1.00 0.00 C ATOM 119 O ILE A 9 11.182 13.208 -2.806 1.00 0.00 O ATOM 120 CB ILE A 9 11.204 10.676 -0.989 1.00 0.00 C ATOM 121 CG1 ILE A 9 11.138 9.938 0.368 1.00 0.00 C ATOM 122 CG2 ILE A 9 12.088 9.895 -1.980 1.00 0.00 C ATOM 123 CD1 ILE A 9 10.583 8.516 0.288 1.00 0.00 C ATOM 0 H ILE A 9 9.843 12.381 0.139 1.00 0.00 H new ATOM 0 HA ILE A 9 12.624 12.018 -0.144 1.00 0.00 H new ATOM 0 HB ILE A 9 10.213 10.739 -1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 9 12.140 9.900 0.796 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.520 10.518 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.684 8.892 -2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.104 10.413 -2.939 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.102 9.827 -1.587 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.572 8.073 1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.568 8.543 -0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.213 7.916 -0.369 1.00 0.00 H new ATOM 135 N PRO A 10 13.395 13.096 -2.333 1.00 0.00 N ATOM 136 CA PRO A 10 13.857 13.659 -3.601 1.00 0.00 C ATOM 137 C PRO A 10 13.269 12.887 -4.781 1.00 0.00 C ATOM 138 O PRO A 10 13.339 11.655 -4.811 1.00 0.00 O ATOM 139 CB PRO A 10 15.388 13.578 -3.572 1.00 0.00 C ATOM 140 CG PRO A 10 15.711 13.594 -2.080 1.00 0.00 C ATOM 141 CD PRO A 10 14.534 12.841 -1.463 1.00 0.00 C ATOM 0 HA PRO A 10 13.531 14.692 -3.725 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.752 12.670 -4.053 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.846 14.420 -4.092 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.660 13.102 -1.868 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.786 14.611 -1.695 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.744 11.773 -1.398 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.336 13.189 -0.449 1.00 0.00 H new ATOM 149 N ASP A 11 12.711 13.593 -5.765 1.00 0.00 N ATOM 150 CA ASP A 11 11.921 12.956 -6.820 1.00 0.00 C ATOM 151 C ASP A 11 12.764 12.613 -8.051 1.00 0.00 C ATOM 152 O ASP A 11 12.731 11.481 -8.540 1.00 0.00 O ATOM 153 CB ASP A 11 10.745 13.867 -7.177 1.00 0.00 C ATOM 154 CG ASP A 11 9.627 13.056 -7.822 1.00 0.00 C ATOM 155 OD1 ASP A 11 8.827 12.448 -7.075 1.00 0.00 O ATOM 156 OD2 ASP A 11 9.512 13.031 -9.061 1.00 0.00 O ATOM 0 H ASP A 11 12.791 14.606 -5.854 1.00 0.00 H new ATOM 0 HA ASP A 11 11.542 12.005 -6.446 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.374 14.362 -6.280 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.076 14.650 -7.859 1.00 0.00 H new ATOM 161 N VAL A 12 13.636 13.529 -8.479 1.00 0.00 N ATOM 162 CA VAL A 12 14.505 13.365 -9.644 1.00 0.00 C ATOM 163 C VAL A 12 15.868 13.961 -9.302 1.00 0.00 C ATOM 164 O VAL A 12 15.942 15.002 -8.645 1.00 0.00 O ATOM 165 CB VAL A 12 13.902 14.078 -10.879 1.00 0.00 C ATOM 166 CG1 VAL A 12 14.745 13.870 -12.149 1.00 0.00 C ATOM 167 CG2 VAL A 12 12.473 13.617 -11.184 1.00 0.00 C ATOM 0 H VAL A 12 13.759 14.428 -8.012 1.00 0.00 H new ATOM 0 HA VAL A 12 14.605 12.308 -9.889 1.00 0.00 H new ATOM 0 HB VAL A 12 13.896 15.135 -10.612 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.278 14.391 -12.985 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.748 14.267 -11.989 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.808 12.805 -12.374 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.098 14.148 -12.059 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.471 12.545 -11.382 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.832 13.829 -10.328 1.00 0.00 H new ATOM 177 N ASP A 13 16.937 13.314 -9.768 1.00 0.00 N ATOM 178 CA ASP A 13 18.293 13.849 -9.733 1.00 0.00 C ATOM 179 C ASP A 13 19.078 13.145 -10.837 1.00 0.00 C ATOM 180 O ASP A 13 19.207 11.920 -10.818 1.00 0.00 O ATOM 181 CB ASP A 13 18.951 13.641 -8.362 1.00 0.00 C ATOM 182 CG ASP A 13 20.393 14.173 -8.339 1.00 0.00 C ATOM 183 OD1 ASP A 13 20.666 15.248 -8.920 1.00 0.00 O ATOM 184 OD2 ASP A 13 21.253 13.534 -7.693 1.00 0.00 O ATOM 0 H ASP A 13 16.880 12.386 -10.188 1.00 0.00 H new ATOM 0 HA ASP A 13 18.279 14.927 -9.896 1.00 0.00 H new ATOM 0 HB2 ASP A 13 18.364 14.147 -7.596 1.00 0.00 H new ATOM 0 HB3 ASP A 13 18.950 12.579 -8.115 1.00 0.00 H new ATOM 189 N ILE A 14 19.535 13.905 -11.830 1.00 0.00 N ATOM 190 CA ILE A 14 20.291 13.422 -12.983 1.00 0.00 C ATOM 191 C ILE A 14 21.367 14.466 -13.302 1.00 0.00 C ATOM 192 O ILE A 14 21.216 15.640 -12.946 1.00 0.00 O ATOM 193 CB ILE A 14 19.371 13.148 -14.203 1.00 0.00 C ATOM 194 CG1 ILE A 14 18.589 14.397 -14.681 1.00 0.00 C ATOM 195 CG2 ILE A 14 18.413 11.974 -13.925 1.00 0.00 C ATOM 196 CD1 ILE A 14 17.843 14.185 -16.006 1.00 0.00 C ATOM 0 H ILE A 14 19.383 14.913 -11.854 1.00 0.00 H new ATOM 0 HA ILE A 14 20.758 12.466 -12.749 1.00 0.00 H new ATOM 0 HB ILE A 14 20.036 12.873 -15.022 1.00 0.00 H new ATOM 0 HG12 ILE A 14 17.872 14.683 -13.912 1.00 0.00 H new ATOM 0 HG13 ILE A 14 19.284 15.229 -14.794 1.00 0.00 H new ATOM 0 HG21 ILE A 14 17.781 11.806 -14.797 1.00 0.00 H new ATOM 0 HG22 ILE A 14 18.991 11.074 -13.717 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.788 12.211 -13.064 1.00 0.00 H new ATOM 0 HD11 ILE A 14 17.318 15.101 -16.279 1.00 0.00 H new ATOM 0 HD12 ILE A 14 18.557 13.929 -16.789 1.00 0.00 H new ATOM 0 HD13 ILE A 14 17.123 13.374 -15.893 1.00 0.00 H new ATOM 266 N PHE A 20 24.533 8.861 -20.049 1.00 0.00 N ATOM 267 CA PHE A 20 24.619 7.979 -18.890 1.00 0.00 C ATOM 268 C PHE A 20 23.375 7.096 -18.831 1.00 0.00 C ATOM 269 O PHE A 20 22.358 7.398 -19.457 1.00 0.00 O ATOM 270 CB PHE A 20 24.770 8.801 -17.599 1.00 0.00 C ATOM 271 CG PHE A 20 23.789 9.952 -17.436 1.00 0.00 C ATOM 272 CD1 PHE A 20 22.538 9.748 -16.825 1.00 0.00 C ATOM 273 CD2 PHE A 20 24.126 11.236 -17.912 1.00 0.00 C ATOM 274 CE1 PHE A 20 21.636 10.817 -16.680 1.00 0.00 C ATOM 275 CE2 PHE A 20 23.214 12.298 -17.792 1.00 0.00 C ATOM 276 CZ PHE A 20 21.974 12.091 -17.166 1.00 0.00 C ATOM 0 HA PHE A 20 25.499 7.343 -18.985 1.00 0.00 H new ATOM 0 HB2 PHE A 20 24.660 8.130 -16.747 1.00 0.00 H new ATOM 0 HB3 PHE A 20 25.783 9.202 -17.561 1.00 0.00 H new ATOM 0 HD1 PHE A 20 22.269 8.766 -16.466 1.00 0.00 H new ATOM 0 HD2 PHE A 20 25.089 11.404 -18.371 1.00 0.00 H new ATOM 0 HE1 PHE A 20 20.684 10.659 -16.195 1.00 0.00 H new ATOM 0 HE2 PHE A 20 23.466 13.273 -18.181 1.00 0.00 H new ATOM 0 HZ PHE A 20 21.280 12.911 -17.058 1.00 0.00 H new ATOM 286 N LYS A 21 23.446 5.989 -18.091 1.00 0.00 N ATOM 287 CA LYS A 21 22.300 5.099 -17.927 1.00 0.00 C ATOM 288 C LYS A 21 21.460 5.606 -16.756 1.00 0.00 C ATOM 289 O LYS A 21 21.961 6.338 -15.896 1.00 0.00 O ATOM 290 CB LYS A 21 22.739 3.638 -17.726 1.00 0.00 C ATOM 291 CG LYS A 21 23.197 2.905 -19.002 1.00 0.00 C ATOM 292 CD LYS A 21 24.461 3.416 -19.716 1.00 0.00 C ATOM 293 CE LYS A 21 25.724 3.343 -18.846 1.00 0.00 C ATOM 294 NZ LYS A 21 26.942 3.733 -19.604 1.00 0.00 N ATOM 0 H LYS A 21 24.286 5.689 -17.596 1.00 0.00 H new ATOM 0 HA LYS A 21 21.698 5.108 -18.835 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.554 3.617 -17.003 1.00 0.00 H new ATOM 0 HB3 LYS A 21 21.909 3.084 -17.287 1.00 0.00 H new ATOM 0 HG2 LYS A 21 23.359 1.858 -18.745 1.00 0.00 H new ATOM 0 HG3 LYS A 21 22.375 2.935 -19.717 1.00 0.00 H new ATOM 0 HD2 LYS A 21 24.619 2.831 -20.622 1.00 0.00 H new ATOM 0 HD3 LYS A 21 24.302 4.449 -20.026 1.00 0.00 H new ATOM 0 HE2 LYS A 21 25.608 3.998 -17.982 1.00 0.00 H new ATOM 0 HE3 LYS A 21 25.843 2.329 -18.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 27.753 3.786 -18.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 27.134 3.025 -20.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 26.793 4.662 -20.047 1.00 0.00 H new ATOM 308 N TYR A 22 20.187 5.221 -16.710 1.00 0.00 N ATOM 309 CA TYR A 22 19.235 5.679 -15.706 1.00 0.00 C ATOM 310 C TYR A 22 18.309 4.515 -15.319 1.00 0.00 C ATOM 311 O TYR A 22 18.257 3.492 -16.011 1.00 0.00 O ATOM 312 CB TYR A 22 18.486 6.925 -16.228 1.00 0.00 C ATOM 313 CG TYR A 22 17.035 6.675 -16.568 1.00 0.00 C ATOM 314 CD1 TYR A 22 16.721 5.998 -17.755 1.00 0.00 C ATOM 315 CD2 TYR A 22 16.028 6.973 -15.631 1.00 0.00 C ATOM 316 CE1 TYR A 22 15.413 5.550 -17.978 1.00 0.00 C ATOM 317 CE2 TYR A 22 14.712 6.538 -15.852 1.00 0.00 C ATOM 318 CZ TYR A 22 14.411 5.806 -17.015 1.00 0.00 C ATOM 319 OH TYR A 22 13.154 5.332 -17.181 1.00 0.00 O ATOM 0 H TYR A 22 19.782 4.570 -17.383 1.00 0.00 H new ATOM 0 HA TYR A 22 19.746 5.991 -14.795 1.00 0.00 H new ATOM 0 HB2 TYR A 22 18.541 7.711 -15.475 1.00 0.00 H new ATOM 0 HB3 TYR A 22 18.997 7.298 -17.116 1.00 0.00 H new ATOM 0 HD1 TYR A 22 17.487 5.822 -18.496 1.00 0.00 H new ATOM 0 HD2 TYR A 22 16.268 7.537 -14.742 1.00 0.00 H new ATOM 0 HE1 TYR A 22 15.171 5.011 -18.882 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.937 6.763 -15.135 1.00 0.00 H new ATOM 0 HH TYR A 22 12.933 5.318 -18.136 1.00 0.00 H new ATOM 329 N VAL A 23 17.561 4.667 -14.227 1.00 0.00 N ATOM 330 CA VAL A 23 16.581 3.694 -13.767 1.00 0.00 C ATOM 331 C VAL A 23 15.354 4.443 -13.233 1.00 0.00 C ATOM 332 O VAL A 23 15.457 5.588 -12.775 1.00 0.00 O ATOM 333 CB VAL A 23 17.258 2.752 -12.744 1.00 0.00 C ATOM 334 CG1 VAL A 23 17.511 3.432 -11.390 1.00 0.00 C ATOM 335 CG2 VAL A 23 16.488 1.443 -12.534 1.00 0.00 C ATOM 0 H VAL A 23 17.624 5.489 -13.627 1.00 0.00 H new ATOM 0 HA VAL A 23 16.219 3.057 -14.574 1.00 0.00 H new ATOM 0 HB VAL A 23 18.222 2.506 -13.188 1.00 0.00 H new ATOM 0 HG11 VAL A 23 17.988 2.725 -10.711 1.00 0.00 H new ATOM 0 HG12 VAL A 23 18.163 4.294 -11.532 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.563 3.760 -10.965 1.00 0.00 H new ATOM 0 HG21 VAL A 23 17.013 0.825 -11.806 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.486 1.665 -12.167 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.417 0.907 -13.480 1.00 0.00 H new ATOM 345 N LEU A 24 14.200 3.774 -13.262 1.00 0.00 N ATOM 346 CA LEU A 24 12.927 4.273 -12.766 1.00 0.00 C ATOM 347 C LEU A 24 12.546 3.313 -11.646 1.00 0.00 C ATOM 348 O LEU A 24 12.408 2.115 -11.918 1.00 0.00 O ATOM 349 CB LEU A 24 11.899 4.265 -13.912 1.00 0.00 C ATOM 350 CG LEU A 24 10.575 5.011 -13.647 1.00 0.00 C ATOM 351 CD1 LEU A 24 9.628 4.768 -14.825 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.851 4.595 -12.366 1.00 0.00 C ATOM 0 H LEU A 24 14.130 2.833 -13.648 1.00 0.00 H new ATOM 0 HA LEU A 24 12.972 5.298 -12.399 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.367 4.701 -14.795 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.665 3.228 -14.155 1.00 0.00 H new ATOM 0 HG LEU A 24 10.843 6.061 -13.528 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.688 5.291 -14.650 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.085 5.141 -15.742 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.436 3.699 -14.923 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.932 5.172 -12.264 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.609 3.533 -12.413 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.495 4.783 -11.507 1.00 0.00 H new ATOM 364 N ILE A 25 12.393 3.782 -10.403 1.00 0.00 N ATOM 365 CA ILE A 25 12.072 2.904 -9.282 1.00 0.00 C ATOM 366 C ILE A 25 10.808 3.388 -8.570 1.00 0.00 C ATOM 367 O ILE A 25 10.639 4.583 -8.328 1.00 0.00 O ATOM 368 CB ILE A 25 13.301 2.611 -8.368 1.00 0.00 C ATOM 369 CG1 ILE A 25 13.221 3.192 -6.940 1.00 0.00 C ATOM 370 CG2 ILE A 25 14.676 2.953 -8.993 1.00 0.00 C ATOM 371 CD1 ILE A 25 14.247 2.572 -5.986 1.00 0.00 C ATOM 0 H ILE A 25 12.487 4.766 -10.152 1.00 0.00 H new ATOM 0 HA ILE A 25 11.826 1.914 -9.667 1.00 0.00 H new ATOM 0 HB ILE A 25 13.235 1.527 -8.279 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.377 4.270 -6.982 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.219 3.030 -6.543 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.468 2.715 -8.283 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.817 2.370 -9.903 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.712 4.015 -9.234 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.142 3.020 -4.998 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.077 1.498 -5.917 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.253 2.757 -6.363 1.00 0.00 H new ATOM 383 N ARG A 26 9.911 2.453 -8.251 1.00 0.00 N ATOM 384 CA ARG A 26 8.759 2.680 -7.390 1.00 0.00 C ATOM 385 C ARG A 26 9.235 2.634 -5.947 1.00 0.00 C ATOM 386 O ARG A 26 10.114 1.838 -5.626 1.00 0.00 O ATOM 387 CB ARG A 26 7.705 1.595 -7.655 1.00 0.00 C ATOM 388 CG ARG A 26 6.460 1.732 -6.758 1.00 0.00 C ATOM 389 CD ARG A 26 5.232 1.033 -7.355 1.00 0.00 C ATOM 390 NE ARG A 26 4.682 1.819 -8.471 1.00 0.00 N ATOM 391 CZ ARG A 26 3.856 1.400 -9.433 1.00 0.00 C ATOM 392 NH1 ARG A 26 3.434 0.138 -9.464 1.00 0.00 N ATOM 393 NH2 ARG A 26 3.459 2.259 -10.366 1.00 0.00 N ATOM 0 H ARG A 26 9.971 1.495 -8.595 1.00 0.00 H new ATOM 0 HA ARG A 26 8.305 3.650 -7.591 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.399 1.641 -8.700 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.154 0.614 -7.497 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.674 1.310 -5.776 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.237 2.788 -6.609 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.507 0.038 -7.704 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.471 0.902 -6.585 1.00 0.00 H new ATOM 0 HE ARG A 26 4.965 2.798 -8.515 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.741 -0.520 -8.748 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.803 -0.171 -10.204 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.785 3.225 -10.342 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.828 1.952 -11.107 1.00 0.00 H new ATOM 407 N VAL A 27 8.613 3.429 -5.086 1.00 0.00 N ATOM 408 CA VAL A 27 8.956 3.616 -3.688 1.00 0.00 C ATOM 409 C VAL A 27 7.619 3.609 -2.947 1.00 0.00 C ATOM 410 O VAL A 27 6.720 4.372 -3.312 1.00 0.00 O ATOM 411 CB VAL A 27 9.678 4.977 -3.543 1.00 0.00 C ATOM 412 CG1 VAL A 27 10.140 5.267 -2.115 1.00 0.00 C ATOM 413 CG2 VAL A 27 10.878 5.153 -4.484 1.00 0.00 C ATOM 0 H VAL A 27 7.809 3.992 -5.364 1.00 0.00 H new ATOM 0 HA VAL A 27 9.620 2.847 -3.292 1.00 0.00 H new ATOM 0 HB VAL A 27 8.908 5.694 -3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.638 6.236 -2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.277 5.281 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.835 4.491 -1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.328 6.132 -4.320 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.615 4.376 -4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.543 5.076 -5.519 1.00 0.00 H new ATOM 423 N HIS A 28 7.458 2.741 -1.949 1.00 0.00 N ATOM 424 CA HIS A 28 6.229 2.633 -1.163 1.00 0.00 C ATOM 425 C HIS A 28 6.338 3.498 0.096 1.00 0.00 C ATOM 426 O HIS A 28 7.437 3.729 0.608 1.00 0.00 O ATOM 427 CB HIS A 28 5.995 1.161 -0.801 1.00 0.00 C ATOM 428 CG HIS A 28 5.865 0.261 -2.009 1.00 0.00 C ATOM 429 ND1 HIS A 28 4.955 0.386 -3.035 1.00 0.00 N ATOM 430 CD2 HIS A 28 6.642 -0.830 -2.299 1.00 0.00 C ATOM 431 CE1 HIS A 28 5.170 -0.608 -3.910 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.194 -1.382 -3.508 1.00 0.00 N ATOM 0 H HIS A 28 8.185 2.086 -1.660 1.00 0.00 H new ATOM 0 HA HIS A 28 5.380 2.992 -1.745 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.821 0.810 -0.183 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.090 1.082 -0.199 1.00 0.00 H new ATOM 0 HD2 HIS A 28 7.460 -1.201 -1.699 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.599 -0.765 -4.813 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.568 -2.202 -3.985 1.00 0.00 H new ATOM 440 N SER A 29 5.195 3.953 0.616 1.00 0.00 N ATOM 441 CA SER A 29 5.098 4.683 1.875 1.00 0.00 C ATOM 442 C SER A 29 5.443 3.746 3.040 1.00 0.00 C ATOM 443 O SER A 29 4.567 3.101 3.616 1.00 0.00 O ATOM 444 CB SER A 29 3.697 5.280 2.070 1.00 0.00 C ATOM 445 OG SER A 29 3.301 6.094 0.988 1.00 0.00 O ATOM 0 H SER A 29 4.293 3.819 0.160 1.00 0.00 H new ATOM 0 HA SER A 29 5.808 5.509 1.849 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.976 4.472 2.196 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.681 5.868 2.988 1.00 0.00 H new ATOM 0 HG SER A 29 3.258 5.554 0.171 1.00 0.00 H new ATOM 451 N ALA A 30 6.727 3.653 3.380 1.00 0.00 N ATOM 452 CA ALA A 30 7.207 2.989 4.580 1.00 0.00 C ATOM 453 C ALA A 30 8.359 3.727 5.305 1.00 0.00 C ATOM 454 O ALA A 30 9.100 3.037 6.008 1.00 0.00 O ATOM 455 CB ALA A 30 7.550 1.529 4.233 1.00 0.00 C ATOM 0 H ALA A 30 7.477 4.048 2.812 1.00 0.00 H new ATOM 0 HA ALA A 30 6.403 3.008 5.316 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.912 1.018 5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.658 1.024 3.862 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.323 1.510 3.465 1.00 0.00 H new ATOM 461 N PRO A 31 8.581 5.063 5.196 1.00 0.00 N ATOM 462 CA PRO A 31 9.536 5.751 6.067 1.00 0.00 C ATOM 463 C PRO A 31 9.439 5.309 7.534 1.00 0.00 C ATOM 464 O PRO A 31 8.350 5.260 8.114 1.00 0.00 O ATOM 465 CB PRO A 31 9.261 7.246 5.905 1.00 0.00 C ATOM 466 CG PRO A 31 8.803 7.342 4.456 1.00 0.00 C ATOM 467 CD PRO A 31 7.997 6.054 4.289 1.00 0.00 C ATOM 0 HA PRO A 31 10.556 5.500 5.777 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.494 7.595 6.597 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.153 7.845 6.089 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.195 8.229 4.279 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.644 7.389 3.765 1.00 0.00 H new ATOM 0 HD2 PRO A 31 6.947 6.223 4.527 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.038 5.704 3.257 1.00 0.00 H new ATOM 475 N ARG A 32 10.596 4.969 8.112 1.00 0.00 N ATOM 476 CA ARG A 32 10.806 4.424 9.459 1.00 0.00 C ATOM 477 C ARG A 32 9.803 3.324 9.850 1.00 0.00 C ATOM 478 O ARG A 32 9.529 3.141 11.037 1.00 0.00 O ATOM 479 CB ARG A 32 10.873 5.577 10.482 1.00 0.00 C ATOM 480 CG ARG A 32 11.884 6.690 10.150 1.00 0.00 C ATOM 481 CD ARG A 32 13.346 6.235 10.098 1.00 0.00 C ATOM 482 NE ARG A 32 14.224 7.413 10.000 1.00 0.00 N ATOM 483 CZ ARG A 32 15.459 7.465 9.491 1.00 0.00 C ATOM 484 NH1 ARG A 32 16.033 6.386 8.970 1.00 0.00 N ATOM 485 NH2 ARG A 32 16.113 8.622 9.512 1.00 0.00 N ATOM 0 H ARG A 32 11.479 5.076 7.612 1.00 0.00 H new ATOM 0 HA ARG A 32 11.766 3.908 9.459 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.882 6.022 10.569 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.122 5.161 11.458 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.619 7.126 9.187 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.790 7.481 10.895 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.591 5.659 10.991 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.503 5.579 9.242 1.00 0.00 H new ATOM 0 HE ARG A 32 13.847 8.289 10.362 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.530 5.499 8.954 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.976 6.445 8.586 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.672 9.450 9.912 1.00 0.00 H new ATOM 0 HH22 ARG A 32 17.056 8.682 9.128 1.00 0.00 H new ATOM 499 N SER A 33 9.257 2.594 8.872 1.00 0.00 N ATOM 500 CA SER A 33 8.219 1.583 9.050 1.00 0.00 C ATOM 501 C SER A 33 7.024 2.097 9.880 1.00 0.00 C ATOM 502 O SER A 33 6.406 1.326 10.620 1.00 0.00 O ATOM 503 CB SER A 33 8.850 0.293 9.607 1.00 0.00 C ATOM 504 OG SER A 33 9.993 -0.089 8.850 1.00 0.00 O ATOM 0 H SER A 33 9.540 2.698 7.898 1.00 0.00 H new ATOM 0 HA SER A 33 7.786 1.348 8.078 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.134 0.444 10.648 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.114 -0.511 9.591 1.00 0.00 H new ATOM 0 HG SER A 33 10.375 -0.910 9.226 1.00 0.00 H new ATOM 510 N GLY A 34 6.698 3.395 9.781 1.00 0.00 N ATOM 511 CA GLY A 34 5.690 4.042 10.623 1.00 0.00 C ATOM 512 C GLY A 34 4.928 5.161 9.913 1.00 0.00 C ATOM 513 O GLY A 34 4.273 5.966 10.579 1.00 0.00 O ATOM 0 H GLY A 34 7.132 4.027 9.108 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.979 3.291 10.967 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.176 4.450 11.509 1.00 0.00 H new ATOM 551 N ALA A 38 -0.017 3.727 2.708 1.00 0.00 N ATOM 552 CA ALA A 38 0.689 2.785 1.837 1.00 0.00 C ATOM 553 C ALA A 38 0.545 3.201 0.370 1.00 0.00 C ATOM 554 O ALA A 38 0.385 2.360 -0.518 1.00 0.00 O ATOM 555 CB ALA A 38 0.225 1.349 2.108 1.00 0.00 C ATOM 0 HA ALA A 38 1.755 2.811 2.063 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.761 0.663 1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.429 1.091 3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.846 1.271 1.919 1.00 0.00 H new ATOM 561 N GLU A 39 0.558 4.514 0.122 1.00 0.00 N ATOM 562 CA GLU A 39 0.652 5.046 -1.231 1.00 0.00 C ATOM 563 C GLU A 39 2.056 4.763 -1.786 1.00 0.00 C ATOM 564 O GLU A 39 2.947 4.347 -1.037 1.00 0.00 O ATOM 565 CB GLU A 39 0.342 6.555 -1.236 1.00 0.00 C ATOM 566 CG GLU A 39 -1.094 6.861 -0.790 1.00 0.00 C ATOM 567 CD GLU A 39 -1.422 8.359 -0.930 1.00 0.00 C ATOM 568 OE1 GLU A 39 -1.190 9.133 0.027 1.00 0.00 O ATOM 569 OE2 GLU A 39 -1.936 8.778 -1.993 1.00 0.00 O ATOM 0 H GLU A 39 0.504 5.228 0.849 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.083 4.558 -1.871 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.041 7.069 -0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.500 6.952 -2.239 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.794 6.277 -1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.227 6.554 0.247 1.00 0.00 H new ATOM 576 N SER A 40 2.287 5.038 -3.070 1.00 0.00 N ATOM 577 CA SER A 40 3.588 4.872 -3.709 1.00 0.00 C ATOM 578 C SER A 40 3.906 6.081 -4.591 1.00 0.00 C ATOM 579 O SER A 40 3.005 6.828 -4.989 1.00 0.00 O ATOM 580 CB SER A 40 3.626 3.578 -4.532 1.00 0.00 C ATOM 581 OG SER A 40 3.157 2.468 -3.782 1.00 0.00 O ATOM 0 H SER A 40 1.566 5.386 -3.701 1.00 0.00 H new ATOM 0 HA SER A 40 4.348 4.802 -2.931 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.015 3.697 -5.427 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.646 3.388 -4.865 1.00 0.00 H new ATOM 0 HG SER A 40 3.895 1.843 -3.627 1.00 0.00 H new ATOM 587 N LYS A 41 5.187 6.255 -4.914 1.00 0.00 N ATOM 588 CA LYS A 41 5.697 7.240 -5.865 1.00 0.00 C ATOM 589 C LYS A 41 6.681 6.526 -6.784 1.00 0.00 C ATOM 590 O LYS A 41 7.236 5.493 -6.404 1.00 0.00 O ATOM 591 CB LYS A 41 6.369 8.431 -5.137 1.00 0.00 C ATOM 592 CG LYS A 41 7.663 8.024 -4.401 1.00 0.00 C ATOM 593 CD LYS A 41 8.485 9.126 -3.721 1.00 0.00 C ATOM 594 CE LYS A 41 8.928 10.256 -4.657 1.00 0.00 C ATOM 595 NZ LYS A 41 8.030 11.436 -4.641 1.00 0.00 N ATOM 0 H LYS A 41 5.929 5.689 -4.502 1.00 0.00 H new ATOM 0 HA LYS A 41 4.876 7.660 -6.447 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.598 9.212 -5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.667 8.857 -4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.397 7.289 -3.641 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.310 7.520 -5.119 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.896 9.553 -2.909 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.370 8.676 -3.270 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.933 10.573 -4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.986 9.870 -5.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.344 12.121 -5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.057 11.135 -4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.058 11.881 -3.701 1.00 0.00 H new ATOM 609 N GLU A 42 6.990 7.136 -7.922 1.00 0.00 N ATOM 610 CA GLU A 42 8.044 6.689 -8.817 1.00 0.00 C ATOM 611 C GLU A 42 9.118 7.777 -8.819 1.00 0.00 C ATOM 612 O GLU A 42 8.779 8.959 -8.931 1.00 0.00 O ATOM 613 CB GLU A 42 7.471 6.476 -10.228 1.00 0.00 C ATOM 614 CG GLU A 42 6.878 5.079 -10.473 1.00 0.00 C ATOM 615 CD GLU A 42 5.497 4.839 -9.847 1.00 0.00 C ATOM 616 OE1 GLU A 42 5.410 4.479 -8.656 1.00 0.00 O ATOM 617 OE2 GLU A 42 4.481 4.861 -10.578 1.00 0.00 O ATOM 0 H GLU A 42 6.505 7.970 -8.252 1.00 0.00 H new ATOM 0 HA GLU A 42 8.470 5.740 -8.491 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.697 7.222 -10.408 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.261 6.654 -10.958 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.806 4.915 -11.548 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.571 4.334 -10.083 1.00 0.00 H new ATOM 624 N ILE A 43 10.392 7.394 -8.717 1.00 0.00 N ATOM 625 CA ILE A 43 11.539 8.300 -8.761 1.00 0.00 C ATOM 626 C ILE A 43 12.478 7.915 -9.904 1.00 0.00 C ATOM 627 O ILE A 43 12.434 6.792 -10.418 1.00 0.00 O ATOM 628 CB ILE A 43 12.280 8.353 -7.406 1.00 0.00 C ATOM 629 CG1 ILE A 43 12.865 6.991 -6.982 1.00 0.00 C ATOM 630 CG2 ILE A 43 11.351 8.937 -6.333 1.00 0.00 C ATOM 631 CD1 ILE A 43 13.759 7.045 -5.737 1.00 0.00 C ATOM 0 H ILE A 43 10.661 6.417 -8.598 1.00 0.00 H new ATOM 0 HA ILE A 43 11.167 9.306 -8.952 1.00 0.00 H new ATOM 0 HB ILE A 43 13.142 9.009 -7.525 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.044 6.299 -6.795 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.443 6.583 -7.812 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.876 8.973 -5.378 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.051 9.945 -6.621 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.466 8.308 -6.237 1.00 0.00 H new ATOM 0 HD11 ILE A 43 14.127 6.045 -5.510 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.603 7.709 -5.924 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.183 7.420 -4.891 1.00 0.00 H new ATOM 643 N VAL A 44 13.335 8.862 -10.286 1.00 0.00 N ATOM 644 CA VAL A 44 14.177 8.795 -11.472 1.00 0.00 C ATOM 645 C VAL A 44 15.592 9.169 -11.029 1.00 0.00 C ATOM 646 O VAL A 44 15.782 10.257 -10.475 1.00 0.00 O ATOM 647 CB VAL A 44 13.617 9.793 -12.513 1.00 0.00 C ATOM 648 CG1 VAL A 44 14.428 9.817 -13.816 1.00 0.00 C ATOM 649 CG2 VAL A 44 12.145 9.524 -12.874 1.00 0.00 C ATOM 0 H VAL A 44 13.464 9.725 -9.757 1.00 0.00 H new ATOM 0 HA VAL A 44 14.193 7.805 -11.928 1.00 0.00 H new ATOM 0 HB VAL A 44 13.696 10.761 -12.019 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.986 10.536 -14.506 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.456 10.107 -13.599 1.00 0.00 H new ATOM 0 HG13 VAL A 44 14.418 8.826 -14.269 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.811 10.257 -13.608 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.050 8.522 -13.293 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.530 9.602 -11.977 1.00 0.00 H new ATOM 659 N ARG A 45 16.584 8.306 -11.275 1.00 0.00 N ATOM 660 CA ARG A 45 18.006 8.625 -11.100 1.00 0.00 C ATOM 661 C ARG A 45 18.750 8.171 -12.344 1.00 0.00 C ATOM 662 O ARG A 45 18.335 7.211 -12.993 1.00 0.00 O ATOM 663 CB ARG A 45 18.645 7.892 -9.901 1.00 0.00 C ATOM 664 CG ARG A 45 18.278 8.310 -8.471 1.00 0.00 C ATOM 665 CD ARG A 45 18.312 9.808 -8.157 1.00 0.00 C ATOM 666 NE ARG A 45 16.951 10.333 -7.972 1.00 0.00 N ATOM 667 CZ ARG A 45 16.281 10.439 -6.821 1.00 0.00 C ATOM 668 NH1 ARG A 45 16.870 10.193 -5.653 1.00 0.00 N ATOM 669 NH2 ARG A 45 15.001 10.781 -6.847 1.00 0.00 N ATOM 0 H ARG A 45 16.420 7.355 -11.605 1.00 0.00 H new ATOM 0 HA ARG A 45 18.076 9.699 -10.925 1.00 0.00 H new ATOM 0 HB2 ARG A 45 18.407 6.833 -10.002 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.726 7.986 -10.000 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.275 7.941 -8.257 1.00 0.00 H new ATOM 0 HG3 ARG A 45 18.957 7.804 -7.785 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.900 9.982 -7.256 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.806 10.343 -8.968 1.00 0.00 H new ATOM 0 HE ARG A 45 16.467 10.650 -8.812 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.852 9.918 -5.625 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.340 10.280 -4.786 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.539 10.960 -7.739 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.478 10.865 -5.975 1.00 0.00 H new ATOM 683 N GLY A 46 19.892 8.793 -12.619 1.00 0.00 N ATOM 684 CA GLY A 46 20.837 8.362 -13.632 1.00 0.00 C ATOM 685 C GLY A 46 22.111 9.171 -13.462 1.00 0.00 C ATOM 686 O GLY A 46 22.036 10.383 -13.252 1.00 0.00 O ATOM 0 H GLY A 46 20.190 9.635 -12.126 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.046 7.297 -13.530 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.421 8.511 -14.629 1.00 0.00 H new ATOM 690 N TYR A 47 23.265 8.506 -13.536 1.00 0.00 N ATOM 691 CA TYR A 47 24.562 9.122 -13.274 1.00 0.00 C ATOM 692 C TYR A 47 25.619 8.428 -14.119 1.00 0.00 C ATOM 693 O TYR A 47 25.500 7.233 -14.397 1.00 0.00 O ATOM 694 CB TYR A 47 24.951 8.960 -11.797 1.00 0.00 C ATOM 695 CG TYR A 47 23.960 9.504 -10.787 1.00 0.00 C ATOM 696 CD1 TYR A 47 23.911 10.882 -10.508 1.00 0.00 C ATOM 697 CD2 TYR A 47 23.108 8.618 -10.103 1.00 0.00 C ATOM 698 CE1 TYR A 47 23.024 11.373 -9.535 1.00 0.00 C ATOM 699 CE2 TYR A 47 22.234 9.096 -9.113 1.00 0.00 C ATOM 700 CZ TYR A 47 22.189 10.479 -8.824 1.00 0.00 C ATOM 701 OH TYR A 47 21.358 10.927 -7.847 1.00 0.00 O ATOM 0 H TYR A 47 23.324 7.518 -13.781 1.00 0.00 H new ATOM 0 HA TYR A 47 24.498 10.182 -13.518 1.00 0.00 H new ATOM 0 HB2 TYR A 47 25.101 7.899 -11.595 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.910 9.453 -11.638 1.00 0.00 H new ATOM 0 HD1 TYR A 47 24.556 11.564 -11.042 1.00 0.00 H new ATOM 0 HD2 TYR A 47 23.126 7.565 -10.340 1.00 0.00 H new ATOM 0 HE1 TYR A 47 22.980 12.432 -9.330 1.00 0.00 H new ATOM 0 HE2 TYR A 47 21.598 8.409 -8.574 1.00 0.00 H new ATOM 0 HH TYR A 47 21.598 11.847 -7.610 1.00 0.00 H new ATOM 711 N LYS A 48 26.690 9.146 -14.471 1.00 0.00 N ATOM 712 CA LYS A 48 27.793 8.581 -15.248 1.00 0.00 C ATOM 713 C LYS A 48 28.458 7.413 -14.513 1.00 0.00 C ATOM 714 O LYS A 48 28.893 6.469 -15.170 1.00 0.00 O ATOM 715 CB LYS A 48 28.797 9.698 -15.596 1.00 0.00 C ATOM 716 CG LYS A 48 29.920 9.291 -16.566 1.00 0.00 C ATOM 717 CD LYS A 48 29.402 8.882 -17.958 1.00 0.00 C ATOM 718 CE LYS A 48 30.537 8.515 -18.927 1.00 0.00 C ATOM 719 NZ LYS A 48 31.385 9.674 -19.305 1.00 0.00 N ATOM 0 H LYS A 48 26.815 10.128 -14.226 1.00 0.00 H new ATOM 0 HA LYS A 48 27.401 8.169 -16.178 1.00 0.00 H new ATOM 0 HB2 LYS A 48 28.249 10.534 -16.030 1.00 0.00 H new ATOM 0 HB3 LYS A 48 29.250 10.058 -14.672 1.00 0.00 H new ATOM 0 HG2 LYS A 48 30.616 10.123 -16.675 1.00 0.00 H new ATOM 0 HG3 LYS A 48 30.480 8.461 -16.135 1.00 0.00 H new ATOM 0 HD2 LYS A 48 28.728 8.032 -17.855 1.00 0.00 H new ATOM 0 HD3 LYS A 48 28.820 9.701 -18.380 1.00 0.00 H new ATOM 0 HE2 LYS A 48 31.163 7.750 -18.469 1.00 0.00 H new ATOM 0 HE3 LYS A 48 30.108 8.078 -19.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 32.109 9.367 -19.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 30.793 10.411 -19.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 31.848 10.057 -18.456 1.00 0.00 H new ATOM 733 N TRP A 49 28.522 7.447 -13.174 1.00 0.00 N ATOM 734 CA TRP A 49 29.111 6.351 -12.412 1.00 0.00 C ATOM 735 C TRP A 49 28.307 5.055 -12.555 1.00 0.00 C ATOM 736 O TRP A 49 28.906 3.981 -12.496 1.00 0.00 O ATOM 737 CB TRP A 49 29.347 6.731 -10.941 1.00 0.00 C ATOM 738 CG TRP A 49 28.195 7.242 -10.120 1.00 0.00 C ATOM 739 CD1 TRP A 49 28.066 8.516 -9.686 1.00 0.00 C ATOM 740 CD2 TRP A 49 27.054 6.521 -9.551 1.00 0.00 C ATOM 741 NE1 TRP A 49 26.945 8.633 -8.890 1.00 0.00 N ATOM 742 CE2 TRP A 49 26.277 7.435 -8.774 1.00 0.00 C ATOM 743 CE3 TRP A 49 26.593 5.188 -9.600 1.00 0.00 C ATOM 744 CZ2 TRP A 49 25.107 7.046 -8.101 1.00 0.00 C ATOM 745 CZ3 TRP A 49 25.377 4.809 -9.002 1.00 0.00 C ATOM 746 CH2 TRP A 49 24.625 5.739 -8.264 1.00 0.00 C ATOM 0 H TRP A 49 28.174 8.219 -12.605 1.00 0.00 H new ATOM 0 HA TRP A 49 30.093 6.158 -12.844 1.00 0.00 H new ATOM 0 HB2 TRP A 49 29.745 5.852 -10.435 1.00 0.00 H new ATOM 0 HB3 TRP A 49 30.127 7.492 -10.920 1.00 0.00 H new ATOM 0 HD1 TRP A 49 28.741 9.324 -9.927 1.00 0.00 H new ATOM 0 HE1 TRP A 49 26.648 9.500 -8.443 1.00 0.00 H new ATOM 0 HE3 TRP A 49 27.187 4.442 -10.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 24.585 7.745 -7.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 25.019 3.796 -9.111 1.00 0.00 H new ATOM 0 HH2 TRP A 49 23.682 5.449 -7.825 1.00 0.00 H new ATOM 757 N ALA A 50 26.983 5.124 -12.765 1.00 0.00 N ATOM 758 CA ALA A 50 26.152 3.958 -13.011 1.00 0.00 C ATOM 759 C ALA A 50 26.354 3.487 -14.450 1.00 0.00 C ATOM 760 O ALA A 50 25.512 3.691 -15.325 1.00 0.00 O ATOM 761 CB ALA A 50 24.682 4.238 -12.694 1.00 0.00 C ATOM 0 H ALA A 50 26.465 6.003 -12.767 1.00 0.00 H new ATOM 0 HA ALA A 50 26.457 3.155 -12.340 1.00 0.00 H new ATOM 0 HB1 ALA A 50 24.091 3.343 -12.890 1.00 0.00 H new ATOM 0 HB2 ALA A 50 24.583 4.516 -11.645 1.00 0.00 H new ATOM 0 HB3 ALA A 50 24.324 5.054 -13.321 1.00 0.00 H new ATOM 767 N GLU A 51 27.492 2.844 -14.699 1.00 0.00 N ATOM 768 CA GLU A 51 27.778 2.201 -15.975 1.00 0.00 C ATOM 769 C GLU A 51 26.834 1.012 -16.233 1.00 0.00 C ATOM 770 O GLU A 51 26.787 0.504 -17.353 1.00 0.00 O ATOM 771 CB GLU A 51 29.253 1.765 -16.020 1.00 0.00 C ATOM 772 CG GLU A 51 30.242 2.941 -16.106 1.00 0.00 C ATOM 773 CD GLU A 51 30.336 3.569 -17.511 1.00 0.00 C ATOM 774 OE1 GLU A 51 29.294 3.791 -18.170 1.00 0.00 O ATOM 775 OE2 GLU A 51 31.470 3.846 -17.971 1.00 0.00 O ATOM 0 H GLU A 51 28.245 2.755 -14.016 1.00 0.00 H new ATOM 0 HA GLU A 51 27.603 2.923 -16.773 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.477 1.178 -15.129 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.404 1.111 -16.879 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.942 3.709 -15.393 1.00 0.00 H new ATOM 0 HG3 GLU A 51 31.231 2.595 -15.805 1.00 0.00 H new ATOM 782 N TYR A 52 26.059 0.588 -15.228 1.00 0.00 N ATOM 783 CA TYR A 52 25.034 -0.438 -15.323 1.00 0.00 C ATOM 784 C TYR A 52 23.847 0.011 -14.474 1.00 0.00 C ATOM 785 O TYR A 52 24.026 0.579 -13.396 1.00 0.00 O ATOM 786 CB TYR A 52 25.557 -1.821 -14.891 1.00 0.00 C ATOM 787 CG TYR A 52 26.604 -1.834 -13.792 1.00 0.00 C ATOM 788 CD1 TYR A 52 27.937 -1.528 -14.115 1.00 0.00 C ATOM 789 CD2 TYR A 52 26.260 -2.163 -12.469 1.00 0.00 C ATOM 790 CE1 TYR A 52 28.930 -1.529 -13.118 1.00 0.00 C ATOM 791 CE2 TYR A 52 27.245 -2.176 -11.465 1.00 0.00 C ATOM 792 CZ TYR A 52 28.585 -1.854 -11.784 1.00 0.00 C ATOM 793 OH TYR A 52 29.531 -1.867 -10.803 1.00 0.00 O ATOM 0 H TYR A 52 26.139 0.973 -14.287 1.00 0.00 H new ATOM 0 HA TYR A 52 24.726 -0.556 -16.362 1.00 0.00 H new ATOM 0 HB2 TYR A 52 24.708 -2.419 -14.561 1.00 0.00 H new ATOM 0 HB3 TYR A 52 25.975 -2.317 -15.767 1.00 0.00 H new ATOM 0 HD1 TYR A 52 28.201 -1.291 -15.135 1.00 0.00 H new ATOM 0 HD2 TYR A 52 25.237 -2.406 -12.223 1.00 0.00 H new ATOM 0 HE1 TYR A 52 29.951 -1.283 -13.369 1.00 0.00 H new ATOM 0 HE2 TYR A 52 26.978 -2.432 -10.450 1.00 0.00 H new ATOM 0 HH TYR A 52 29.114 -2.111 -9.950 1.00 0.00 H new ATOM 803 N HIS A 53 22.633 -0.268 -14.952 1.00 0.00 N ATOM 804 CA HIS A 53 21.371 0.130 -14.323 1.00 0.00 C ATOM 805 C HIS A 53 21.254 -0.417 -12.894 1.00 0.00 C ATOM 806 O HIS A 53 20.694 0.237 -12.012 1.00 0.00 O ATOM 807 CB HIS A 53 20.192 -0.375 -15.177 1.00 0.00 C ATOM 808 CG HIS A 53 20.409 -0.259 -16.671 1.00 0.00 C ATOM 809 ND1 HIS A 53 21.010 -1.202 -17.483 1.00 0.00 N ATOM 810 CD2 HIS A 53 20.121 0.824 -17.458 1.00 0.00 C ATOM 811 CE1 HIS A 53 21.112 -0.677 -18.718 1.00 0.00 C ATOM 812 NE2 HIS A 53 20.566 0.550 -18.756 1.00 0.00 N ATOM 0 H HIS A 53 22.496 -0.794 -15.815 1.00 0.00 H new ATOM 0 HA HIS A 53 21.348 1.218 -14.263 1.00 0.00 H new ATOM 0 HB2 HIS A 53 20.001 -1.419 -14.930 1.00 0.00 H new ATOM 0 HB3 HIS A 53 19.297 0.186 -14.907 1.00 0.00 H new ATOM 0 HD2 HIS A 53 19.635 1.732 -17.133 1.00 0.00 H new ATOM 0 HE1 HIS A 53 21.569 -1.173 -19.561 1.00 0.00 H new ATOM 0 HE2 HIS A 53 20.491 1.161 -19.570 1.00 0.00 H new ATOM 820 N ALA A 54 21.805 -1.611 -12.651 1.00 0.00 N ATOM 821 CA ALA A 54 21.799 -2.223 -11.331 1.00 0.00 C ATOM 822 C ALA A 54 22.569 -1.388 -10.305 1.00 0.00 C ATOM 823 O ALA A 54 22.265 -1.483 -9.119 1.00 0.00 O ATOM 824 CB ALA A 54 22.352 -3.650 -11.409 1.00 0.00 C ATOM 0 H ALA A 54 22.265 -2.174 -13.366 1.00 0.00 H new ATOM 0 HA ALA A 54 20.765 -2.265 -10.988 1.00 0.00 H new ATOM 0 HB1 ALA A 54 22.343 -4.099 -10.416 1.00 0.00 H new ATOM 0 HB2 ALA A 54 21.733 -4.244 -12.081 1.00 0.00 H new ATOM 0 HB3 ALA A 54 23.374 -3.624 -11.786 1.00 0.00 H new ATOM 830 N ASP A 55 23.532 -0.560 -10.730 1.00 0.00 N ATOM 831 CA ASP A 55 24.323 0.257 -9.808 1.00 0.00 C ATOM 832 C ASP A 55 23.437 1.307 -9.136 1.00 0.00 C ATOM 833 O ASP A 55 23.516 1.527 -7.927 1.00 0.00 O ATOM 834 CB ASP A 55 25.479 0.953 -10.548 1.00 0.00 C ATOM 835 CG ASP A 55 26.656 1.333 -9.628 1.00 0.00 C ATOM 836 OD1 ASP A 55 26.580 1.148 -8.393 1.00 0.00 O ATOM 837 OD2 ASP A 55 27.686 1.803 -10.158 1.00 0.00 O ATOM 0 H ASP A 55 23.781 -0.440 -11.712 1.00 0.00 H new ATOM 0 HA ASP A 55 24.741 -0.402 -9.047 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.843 0.296 -11.338 1.00 0.00 H new ATOM 0 HB3 ASP A 55 25.101 1.853 -11.032 1.00 0.00 H new ATOM 842 N ILE A 56 22.547 1.942 -9.908 1.00 0.00 N ATOM 843 CA ILE A 56 21.609 2.920 -9.368 1.00 0.00 C ATOM 844 C ILE A 56 20.482 2.226 -8.625 1.00 0.00 C ATOM 845 O ILE A 56 20.102 2.734 -7.574 1.00 0.00 O ATOM 846 CB ILE A 56 21.038 3.919 -10.407 1.00 0.00 C ATOM 847 CG1 ILE A 56 21.089 3.442 -11.880 1.00 0.00 C ATOM 848 CG2 ILE A 56 21.668 5.291 -10.141 1.00 0.00 C ATOM 849 CD1 ILE A 56 20.939 4.548 -12.920 1.00 0.00 C ATOM 0 H ILE A 56 22.461 1.791 -10.913 1.00 0.00 H new ATOM 0 HA ILE A 56 22.195 3.526 -8.677 1.00 0.00 H new ATOM 0 HB ILE A 56 19.960 3.995 -10.265 1.00 0.00 H new ATOM 0 HG12 ILE A 56 22.037 2.931 -12.048 1.00 0.00 H new ATOM 0 HG13 ILE A 56 20.299 2.707 -12.036 1.00 0.00 H new ATOM 0 HG21 ILE A 56 21.282 6.014 -10.860 1.00 0.00 H new ATOM 0 HG22 ILE A 56 21.419 5.616 -9.131 1.00 0.00 H new ATOM 0 HG23 ILE A 56 22.751 5.220 -10.243 1.00 0.00 H new ATOM 0 HD11 ILE A 56 20.988 4.116 -13.920 1.00 0.00 H new ATOM 0 HD12 ILE A 56 19.979 5.046 -12.786 1.00 0.00 H new ATOM 0 HD13 ILE A 56 21.744 5.273 -12.798 1.00 0.00 H new ATOM 861 N TYR A 57 19.970 1.081 -9.093 1.00 0.00 N ATOM 862 CA TYR A 57 18.957 0.389 -8.307 1.00 0.00 C ATOM 863 C TYR A 57 19.539 0.018 -6.936 1.00 0.00 C ATOM 864 O TYR A 57 18.886 0.266 -5.929 1.00 0.00 O ATOM 865 CB TYR A 57 18.401 -0.845 -9.022 1.00 0.00 C ATOM 866 CG TYR A 57 17.358 -1.562 -8.179 1.00 0.00 C ATOM 867 CD1 TYR A 57 16.202 -0.875 -7.749 1.00 0.00 C ATOM 868 CD2 TYR A 57 17.571 -2.891 -7.765 1.00 0.00 C ATOM 869 CE1 TYR A 57 15.264 -1.512 -6.919 1.00 0.00 C ATOM 870 CE2 TYR A 57 16.632 -3.538 -6.942 1.00 0.00 C ATOM 871 CZ TYR A 57 15.472 -2.849 -6.516 1.00 0.00 C ATOM 872 OH TYR A 57 14.550 -3.457 -5.720 1.00 0.00 O ATOM 0 H TYR A 57 20.229 0.634 -9.973 1.00 0.00 H new ATOM 0 HA TYR A 57 18.115 1.068 -8.173 1.00 0.00 H new ATOM 0 HB2 TYR A 57 17.958 -0.546 -9.972 1.00 0.00 H new ATOM 0 HB3 TYR A 57 19.217 -1.530 -9.252 1.00 0.00 H new ATOM 0 HD1 TYR A 57 16.038 0.146 -8.060 1.00 0.00 H new ATOM 0 HD2 TYR A 57 18.460 -3.416 -8.081 1.00 0.00 H new ATOM 0 HE1 TYR A 57 14.384 -0.979 -6.589 1.00 0.00 H new ATOM 0 HE2 TYR A 57 16.796 -4.560 -6.635 1.00 0.00 H new ATOM 0 HH TYR A 57 14.836 -4.375 -5.531 1.00 0.00 H new ATOM 882 N ASP A 58 20.779 -0.480 -6.868 1.00 0.00 N ATOM 883 CA ASP A 58 21.481 -0.745 -5.609 1.00 0.00 C ATOM 884 C ASP A 58 21.578 0.517 -4.750 1.00 0.00 C ATOM 885 O ASP A 58 21.212 0.491 -3.572 1.00 0.00 O ATOM 886 CB ASP A 58 22.892 -1.290 -5.888 1.00 0.00 C ATOM 887 CG ASP A 58 23.814 -1.165 -4.660 1.00 0.00 C ATOM 888 OD1 ASP A 58 23.744 -2.029 -3.758 1.00 0.00 O ATOM 889 OD2 ASP A 58 24.621 -0.207 -4.614 1.00 0.00 O ATOM 0 H ASP A 58 21.328 -0.713 -7.695 1.00 0.00 H new ATOM 0 HA ASP A 58 20.906 -1.491 -5.061 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.824 -2.337 -6.185 1.00 0.00 H new ATOM 0 HB3 ASP A 58 23.330 -0.749 -6.727 1.00 0.00 H new ATOM 894 N LYS A 59 22.046 1.625 -5.336 1.00 0.00 N ATOM 895 CA LYS A 59 22.294 2.856 -4.587 1.00 0.00 C ATOM 896 C LYS A 59 20.988 3.371 -3.993 1.00 0.00 C ATOM 897 O LYS A 59 20.911 3.699 -2.808 1.00 0.00 O ATOM 898 CB LYS A 59 22.928 3.923 -5.506 1.00 0.00 C ATOM 899 CG LYS A 59 24.008 4.764 -4.822 1.00 0.00 C ATOM 900 CD LYS A 59 25.298 4.006 -4.468 1.00 0.00 C ATOM 901 CE LYS A 59 26.061 3.331 -5.624 1.00 0.00 C ATOM 902 NZ LYS A 59 25.516 2.015 -6.041 1.00 0.00 N ATOM 0 H LYS A 59 22.260 1.691 -6.331 1.00 0.00 H new ATOM 0 HA LYS A 59 22.990 2.645 -3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 59 23.362 3.429 -6.375 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.144 4.585 -5.874 1.00 0.00 H new ATOM 0 HG2 LYS A 59 24.263 5.599 -5.474 1.00 0.00 H new ATOM 0 HG3 LYS A 59 23.592 5.188 -3.908 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.976 4.705 -3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 59 25.048 3.239 -3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 59 26.056 4.000 -6.484 1.00 0.00 H new ATOM 0 HE3 LYS A 59 27.102 3.201 -5.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 26.240 1.492 -6.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 25.244 1.469 -5.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 24.681 2.160 -6.644 1.00 0.00 H new ATOM 916 N VAL A 60 19.958 3.439 -4.832 1.00 0.00 N ATOM 917 CA VAL A 60 18.716 4.095 -4.502 1.00 0.00 C ATOM 918 C VAL A 60 17.885 3.184 -3.610 1.00 0.00 C ATOM 919 O VAL A 60 17.386 3.673 -2.603 1.00 0.00 O ATOM 920 CB VAL A 60 17.997 4.522 -5.790 1.00 0.00 C ATOM 921 CG1 VAL A 60 16.669 5.212 -5.457 1.00 0.00 C ATOM 922 CG2 VAL A 60 18.843 5.518 -6.589 1.00 0.00 C ATOM 0 H VAL A 60 19.972 3.033 -5.768 1.00 0.00 H new ATOM 0 HA VAL A 60 18.897 5.008 -3.935 1.00 0.00 H new ATOM 0 HB VAL A 60 17.828 3.619 -6.377 1.00 0.00 H new ATOM 0 HG11 VAL A 60 16.172 5.509 -6.380 1.00 0.00 H new ATOM 0 HG12 VAL A 60 16.029 4.523 -4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 60 16.861 6.096 -4.848 1.00 0.00 H new ATOM 0 HG21 VAL A 60 18.310 5.803 -7.496 1.00 0.00 H new ATOM 0 HG22 VAL A 60 19.029 6.405 -5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 60 19.793 5.056 -6.857 1.00 0.00 H new ATOM 932 N SER A 61 17.756 1.884 -3.897 1.00 0.00 N ATOM 933 CA SER A 61 16.996 1.003 -3.014 1.00 0.00 C ATOM 934 C SER A 61 17.645 0.942 -1.629 1.00 0.00 C ATOM 935 O SER A 61 16.924 0.813 -0.642 1.00 0.00 O ATOM 936 CB SER A 61 16.789 -0.391 -3.622 1.00 0.00 C ATOM 937 OG SER A 61 18.010 -1.060 -3.860 1.00 0.00 O ATOM 0 H SER A 61 18.159 1.429 -4.716 1.00 0.00 H new ATOM 0 HA SER A 61 15.999 1.428 -2.896 1.00 0.00 H new ATOM 0 HB2 SER A 61 16.174 -0.990 -2.950 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.240 -0.298 -4.559 1.00 0.00 H new ATOM 0 HG SER A 61 18.301 -0.893 -4.781 1.00 0.00 H new ATOM 943 N GLY A 62 18.974 1.072 -1.531 1.00 0.00 N ATOM 944 CA GLY A 62 19.662 1.170 -0.257 1.00 0.00 C ATOM 945 C GLY A 62 19.241 2.431 0.492 1.00 0.00 C ATOM 946 O GLY A 62 18.807 2.337 1.639 1.00 0.00 O ATOM 0 H GLY A 62 19.595 1.111 -2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.441 0.291 0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 62 20.740 1.182 -0.421 1.00 0.00 H new ATOM 950 N ASP A 63 19.312 3.605 -0.147 1.00 0.00 N ATOM 951 CA ASP A 63 18.951 4.865 0.504 1.00 0.00 C ATOM 952 C ASP A 63 17.469 4.895 0.877 1.00 0.00 C ATOM 953 O ASP A 63 17.126 5.235 2.008 1.00 0.00 O ATOM 954 CB ASP A 63 19.290 6.075 -0.369 1.00 0.00 C ATOM 955 CG ASP A 63 19.044 7.375 0.414 1.00 0.00 C ATOM 956 OD1 ASP A 63 17.910 7.900 0.391 1.00 0.00 O ATOM 957 OD2 ASP A 63 19.999 7.865 1.059 1.00 0.00 O ATOM 0 H ASP A 63 19.617 3.706 -1.115 1.00 0.00 H new ATOM 0 HA ASP A 63 19.544 4.925 1.417 1.00 0.00 H new ATOM 0 HB2 ASP A 63 20.331 6.024 -0.687 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.680 6.064 -1.272 1.00 0.00 H new ATOM 962 N MET A 64 16.589 4.471 -0.034 1.00 0.00 N ATOM 963 CA MET A 64 15.164 4.365 0.234 1.00 0.00 C ATOM 964 C MET A 64 14.902 3.458 1.430 1.00 0.00 C ATOM 965 O MET A 64 14.195 3.875 2.343 1.00 0.00 O ATOM 966 CB MET A 64 14.426 3.846 -1.003 1.00 0.00 C ATOM 967 CG MET A 64 14.386 4.821 -2.190 1.00 0.00 C ATOM 968 SD MET A 64 13.618 6.429 -1.863 1.00 0.00 S ATOM 969 CE MET A 64 15.113 7.401 -1.548 1.00 0.00 C ATOM 0 H MET A 64 16.852 4.192 -0.979 1.00 0.00 H new ATOM 0 HA MET A 64 14.787 5.359 0.473 1.00 0.00 H new ATOM 0 HB2 MET A 64 14.900 2.920 -1.328 1.00 0.00 H new ATOM 0 HB3 MET A 64 13.403 3.599 -0.720 1.00 0.00 H new ATOM 0 HG2 MET A 64 15.407 4.990 -2.532 1.00 0.00 H new ATOM 0 HG3 MET A 64 13.850 4.344 -3.010 1.00 0.00 H new ATOM 0 HE1 MET A 64 14.844 8.327 -1.040 1.00 0.00 H new ATOM 0 HE2 MET A 64 15.794 6.827 -0.920 1.00 0.00 H new ATOM 0 HE3 MET A 64 15.601 7.634 -2.494 1.00 0.00 H new ATOM 979 N GLN A 65 15.483 2.258 1.490 1.00 0.00 N ATOM 980 CA GLN A 65 15.240 1.337 2.591 1.00 0.00 C ATOM 981 C GLN A 65 15.880 1.822 3.897 1.00 0.00 C ATOM 982 O GLN A 65 15.351 1.526 4.967 1.00 0.00 O ATOM 983 CB GLN A 65 15.763 -0.054 2.217 1.00 0.00 C ATOM 984 CG GLN A 65 14.842 -0.777 1.223 1.00 0.00 C ATOM 985 CD GLN A 65 15.464 -2.085 0.738 1.00 0.00 C ATOM 986 OE1 GLN A 65 15.053 -3.178 1.121 1.00 0.00 O ATOM 987 NE2 GLN A 65 16.479 -1.996 -0.106 1.00 0.00 N ATOM 0 H GLN A 65 16.128 1.904 0.783 1.00 0.00 H new ATOM 0 HA GLN A 65 14.165 1.289 2.763 1.00 0.00 H new ATOM 0 HB2 GLN A 65 16.759 0.039 1.784 1.00 0.00 H new ATOM 0 HB3 GLN A 65 15.863 -0.657 3.120 1.00 0.00 H new ATOM 0 HG2 GLN A 65 13.882 -0.982 1.697 1.00 0.00 H new ATOM 0 HG3 GLN A 65 14.644 -0.128 0.370 1.00 0.00 H new ATOM 0 HE21 GLN A 65 16.808 -1.081 -0.414 1.00 0.00 H new ATOM 0 HE22 GLN A 65 16.933 -2.843 -0.449 1.00 0.00 H new ATOM 996 N LYS A 66 16.972 2.594 3.842 1.00 0.00 N ATOM 997 CA LYS A 66 17.527 3.277 5.009 1.00 0.00 C ATOM 998 C LYS A 66 16.511 4.285 5.550 1.00 0.00 C ATOM 999 O LYS A 66 16.307 4.328 6.763 1.00 0.00 O ATOM 1000 CB LYS A 66 18.858 3.922 4.597 1.00 0.00 C ATOM 1001 CG LYS A 66 19.514 4.822 5.657 1.00 0.00 C ATOM 1002 CD LYS A 66 20.723 5.561 5.062 1.00 0.00 C ATOM 1003 CE LYS A 66 20.279 6.630 4.047 1.00 0.00 C ATOM 1004 NZ LYS A 66 21.416 7.300 3.373 1.00 0.00 N ATOM 0 H LYS A 66 17.495 2.761 2.982 1.00 0.00 H new ATOM 0 HA LYS A 66 17.729 2.580 5.822 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.559 3.130 4.334 1.00 0.00 H new ATOM 0 HB3 LYS A 66 18.692 4.513 3.696 1.00 0.00 H new ATOM 0 HG2 LYS A 66 18.787 5.543 6.030 1.00 0.00 H new ATOM 0 HG3 LYS A 66 19.831 4.220 6.508 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.295 6.031 5.862 1.00 0.00 H new ATOM 0 HD3 LYS A 66 21.385 4.846 4.574 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.641 6.166 3.295 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.675 7.379 4.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.109 7.655 2.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.745 8.096 3.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 22.193 6.620 3.245 1.00 0.00 H new ATOM 1018 N GLN A 67 15.843 5.062 4.684 1.00 0.00 N ATOM 1019 CA GLN A 67 14.724 5.903 5.114 1.00 0.00 C ATOM 1020 C GLN A 67 13.560 5.032 5.610 1.00 0.00 C ATOM 1021 O GLN A 67 12.903 5.396 6.582 1.00 0.00 O ATOM 1022 CB GLN A 67 14.291 6.864 3.990 1.00 0.00 C ATOM 1023 CG GLN A 67 15.413 7.832 3.568 1.00 0.00 C ATOM 1024 CD GLN A 67 14.930 8.898 2.582 1.00 0.00 C ATOM 1025 OE1 GLN A 67 13.960 9.605 2.837 1.00 0.00 O ATOM 1026 NE2 GLN A 67 15.590 9.072 1.446 1.00 0.00 N ATOM 0 H GLN A 67 16.059 5.123 3.689 1.00 0.00 H new ATOM 0 HA GLN A 67 15.052 6.521 5.950 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.973 6.283 3.124 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.427 7.439 4.323 1.00 0.00 H new ATOM 0 HG2 GLN A 67 15.820 8.319 4.454 1.00 0.00 H new ATOM 0 HG3 GLN A 67 16.226 7.265 3.115 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.397 8.487 1.230 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.291 9.791 0.788 1.00 0.00 H new ATOM 1035 N GLY A 68 13.335 3.873 4.987 1.00 0.00 N ATOM 1036 CA GLY A 68 12.406 2.819 5.399 1.00 0.00 C ATOM 1037 C GLY A 68 11.621 2.217 4.222 1.00 0.00 C ATOM 1038 O GLY A 68 10.977 1.180 4.368 1.00 0.00 O ATOM 0 H GLY A 68 13.828 3.631 4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.963 2.027 5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.704 3.225 6.127 1.00 0.00 H new ATOM 1042 N CYS A 69 11.668 2.863 3.056 1.00 0.00 N ATOM 1043 CA CYS A 69 10.839 2.589 1.895 1.00 0.00 C ATOM 1044 C CYS A 69 11.250 1.316 1.159 1.00 0.00 C ATOM 1045 O CYS A 69 12.375 1.220 0.670 1.00 0.00 O ATOM 1046 CB CYS A 69 10.978 3.765 0.930 1.00 0.00 C ATOM 1047 SG CYS A 69 10.107 5.213 1.568 1.00 0.00 S ATOM 0 H CYS A 69 12.321 3.630 2.894 1.00 0.00 H new ATOM 0 HA CYS A 69 9.815 2.452 2.241 1.00 0.00 H new ATOM 0 HB2 CYS A 69 12.032 4.002 0.785 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.576 3.492 -0.046 1.00 0.00 H new ATOM 0 HG CYS A 69 8.833 5.086 1.346 1.00 0.00 H new ATOM 1053 N ASP A 70 10.324 0.363 1.035 1.00 0.00 N ATOM 1054 CA ASP A 70 10.496 -0.792 0.156 1.00 0.00 C ATOM 1055 C ASP A 70 10.284 -0.303 -1.282 1.00 0.00 C ATOM 1056 O ASP A 70 9.445 0.579 -1.506 1.00 0.00 O ATOM 1057 CB ASP A 70 9.491 -1.892 0.514 1.00 0.00 C ATOM 1058 CG ASP A 70 9.632 -3.103 -0.421 1.00 0.00 C ATOM 1059 OD1 ASP A 70 10.757 -3.629 -0.566 1.00 0.00 O ATOM 1060 OD2 ASP A 70 8.612 -3.550 -0.992 1.00 0.00 O ATOM 0 H ASP A 70 9.438 0.371 1.540 1.00 0.00 H new ATOM 0 HA ASP A 70 11.492 -1.220 0.268 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.646 -2.207 1.546 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.477 -1.496 0.450 1.00 0.00 H new ATOM 1065 N CYS A 71 11.037 -0.840 -2.248 1.00 0.00 N ATOM 1066 CA CYS A 71 11.100 -0.314 -3.612 1.00 0.00 C ATOM 1067 C CYS A 71 11.262 -1.420 -4.660 1.00 0.00 C ATOM 1068 O CYS A 71 11.622 -2.548 -4.317 1.00 0.00 O ATOM 1069 CB CYS A 71 12.309 0.623 -3.733 1.00 0.00 C ATOM 1070 SG CYS A 71 12.199 2.010 -2.578 1.00 0.00 S ATOM 0 H CYS A 71 11.625 -1.660 -2.101 1.00 0.00 H new ATOM 0 HA CYS A 71 10.160 0.206 -3.799 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.224 0.063 -3.542 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.374 1.003 -4.753 1.00 0.00 H new ATOM 0 HG CYS A 71 12.300 1.569 -1.359 1.00 0.00 H new ATOM 1076 N GLU A 72 11.062 -1.077 -5.939 1.00 0.00 N ATOM 1077 CA GLU A 72 11.312 -1.953 -7.085 1.00 0.00 C ATOM 1078 C GLU A 72 11.712 -1.090 -8.282 1.00 0.00 C ATOM 1079 O GLU A 72 11.055 -0.082 -8.541 1.00 0.00 O ATOM 1080 CB GLU A 72 10.023 -2.704 -7.482 1.00 0.00 C ATOM 1081 CG GLU A 72 9.537 -3.789 -6.508 1.00 0.00 C ATOM 1082 CD GLU A 72 10.518 -4.965 -6.310 1.00 0.00 C ATOM 1083 OE1 GLU A 72 11.381 -5.225 -7.180 1.00 0.00 O ATOM 1084 OE2 GLU A 72 10.381 -5.699 -5.304 1.00 0.00 O ATOM 0 H GLU A 72 10.713 -0.158 -6.210 1.00 0.00 H new ATOM 0 HA GLU A 72 12.093 -2.663 -6.815 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.225 -1.972 -7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.183 -3.166 -8.456 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.343 -3.328 -5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.587 -4.183 -6.869 1.00 0.00 H new ATOM 1091 N CYS A 73 12.764 -1.453 -9.023 1.00 0.00 N ATOM 1092 CA CYS A 73 13.063 -0.824 -10.308 1.00 0.00 C ATOM 1093 C CYS A 73 11.973 -1.304 -11.276 1.00 0.00 C ATOM 1094 O CYS A 73 11.885 -2.496 -11.579 1.00 0.00 O ATOM 1095 CB CYS A 73 14.485 -1.159 -10.806 1.00 0.00 C ATOM 1096 SG CYS A 73 14.929 -2.885 -10.440 1.00 0.00 S ATOM 0 H CYS A 73 13.423 -2.182 -8.751 1.00 0.00 H new ATOM 0 HA CYS A 73 13.056 0.263 -10.224 1.00 0.00 H new ATOM 0 HB2 CYS A 73 14.546 -0.986 -11.881 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.204 -0.489 -10.335 1.00 0.00 H new ATOM 0 HG CYS A 73 15.600 -3.381 -11.437 1.00 0.00 H new ATOM 1102 N LEU A 74 11.108 -0.395 -11.737 1.00 0.00 N ATOM 1103 CA LEU A 74 10.067 -0.729 -12.706 1.00 0.00 C ATOM 1104 C LEU A 74 10.691 -1.006 -14.078 1.00 0.00 C ATOM 1105 O LEU A 74 10.114 -1.742 -14.880 1.00 0.00 O ATOM 1106 CB LEU A 74 9.027 0.398 -12.805 1.00 0.00 C ATOM 1107 CG LEU A 74 8.251 0.706 -11.506 1.00 0.00 C ATOM 1108 CD1 LEU A 74 7.119 1.692 -11.818 1.00 0.00 C ATOM 1109 CD2 LEU A 74 7.659 -0.546 -10.843 1.00 0.00 C ATOM 0 H LEU A 74 11.111 0.584 -11.450 1.00 0.00 H new ATOM 0 HA LEU A 74 9.556 -1.629 -12.364 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.533 1.307 -13.129 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.309 0.138 -13.583 1.00 0.00 H new ATOM 0 HG LEU A 74 8.965 1.133 -10.802 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.567 1.913 -10.904 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.540 2.614 -12.220 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.444 1.251 -12.552 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.127 -0.260 -9.936 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.967 -1.030 -11.532 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.462 -1.238 -10.590 1.00 0.00 H new ATOM 1121 N GLY A 75 11.868 -0.437 -14.342 1.00 0.00 N ATOM 1122 CA GLY A 75 12.671 -0.667 -15.529 1.00 0.00 C ATOM 1123 C GLY A 75 13.794 0.359 -15.555 1.00 0.00 C ATOM 1124 O GLY A 75 13.993 1.101 -14.587 1.00 0.00 O ATOM 0 H GLY A 75 12.302 0.226 -13.700 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.080 -1.677 -15.520 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.057 -0.580 -16.425 1.00 0.00 H new ATOM 1128 N GLY A 76 14.508 0.441 -16.671 1.00 0.00 N ATOM 1129 CA GLY A 76 15.510 1.473 -16.888 1.00 0.00 C ATOM 1130 C GLY A 76 15.779 1.644 -18.373 1.00 0.00 C ATOM 1131 O GLY A 76 15.065 1.085 -19.211 1.00 0.00 O ATOM 0 H GLY A 76 14.407 -0.208 -17.451 1.00 0.00 H new ATOM 0 HA2 GLY A 76 15.168 2.416 -16.463 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.433 1.207 -16.373 1.00 0.00 H new ATOM 1135 N GLY A 77 16.810 2.420 -18.685 1.00 0.00 N ATOM 1136 CA GLY A 77 17.174 2.801 -20.036 1.00 0.00 C ATOM 1137 C GLY A 77 18.380 3.729 -19.969 1.00 0.00 C ATOM 1138 O GLY A 77 19.123 3.729 -18.981 1.00 0.00 O ATOM 0 H GLY A 77 17.433 2.812 -17.979 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.409 1.917 -20.628 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.339 3.301 -20.527 1.00 0.00 H new ATOM 1142 N ARG A 78 18.563 4.564 -20.988 1.00 0.00 N ATOM 1143 CA ARG A 78 19.683 5.491 -21.077 1.00 0.00 C ATOM 1144 C ARG A 78 19.151 6.896 -21.308 1.00 0.00 C ATOM 1145 O ARG A 78 18.055 7.083 -21.845 1.00 0.00 O ATOM 1146 CB ARG A 78 20.649 4.987 -22.164 1.00 0.00 C ATOM 1147 CG ARG A 78 22.023 5.677 -22.142 1.00 0.00 C ATOM 1148 CD ARG A 78 22.958 5.240 -23.275 1.00 0.00 C ATOM 1149 NE ARG A 78 23.099 3.771 -23.369 1.00 0.00 N ATOM 1150 CZ ARG A 78 22.569 2.979 -24.314 1.00 0.00 C ATOM 1151 NH1 ARG A 78 21.899 3.490 -25.337 1.00 0.00 N ATOM 1152 NH2 ARG A 78 22.704 1.661 -24.238 1.00 0.00 N ATOM 0 H ARG A 78 17.928 4.615 -21.785 1.00 0.00 H new ATOM 0 HA ARG A 78 20.254 5.537 -20.150 1.00 0.00 H new ATOM 0 HB2 ARG A 78 20.790 3.913 -22.042 1.00 0.00 H new ATOM 0 HB3 ARG A 78 20.192 5.139 -23.142 1.00 0.00 H new ATOM 0 HG2 ARG A 78 21.877 6.756 -22.200 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.506 5.472 -21.187 1.00 0.00 H new ATOM 0 HD2 ARG A 78 22.579 5.625 -24.222 1.00 0.00 H new ATOM 0 HD3 ARG A 78 23.941 5.685 -23.121 1.00 0.00 H new ATOM 0 HE ARG A 78 23.653 3.315 -22.645 1.00 0.00 H new ATOM 0 HH11 ARG A 78 21.780 4.500 -25.415 1.00 0.00 H new ATOM 0 HH12 ARG A 78 21.503 2.873 -26.046 1.00 0.00 H new ATOM 0 HH21 ARG A 78 23.213 1.245 -23.458 1.00 0.00 H new ATOM 0 HH22 ARG A 78 22.299 1.064 -24.959 1.00 0.00 H new ATOM 1166 N ILE A 79 19.935 7.878 -20.880 1.00 0.00 N ATOM 1167 CA ILE A 79 19.646 9.293 -20.962 1.00 0.00 C ATOM 1168 C ILE A 79 20.804 9.914 -21.736 1.00 0.00 C ATOM 1169 O ILE A 79 21.961 9.496 -21.614 1.00 0.00 O ATOM 1170 CB ILE A 79 19.450 9.861 -19.534 1.00 0.00 C ATOM 1171 CG1 ILE A 79 18.067 9.401 -19.016 1.00 0.00 C ATOM 1172 CG2 ILE A 79 19.538 11.397 -19.516 1.00 0.00 C ATOM 1173 CD1 ILE A 79 17.640 9.964 -17.653 1.00 0.00 C ATOM 0 H ILE A 79 20.838 7.691 -20.443 1.00 0.00 H new ATOM 0 HA ILE A 79 18.718 9.521 -21.487 1.00 0.00 H new ATOM 0 HB ILE A 79 20.246 9.487 -18.890 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.314 9.678 -19.754 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.067 8.313 -18.954 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.396 11.758 -18.497 1.00 0.00 H new ATOM 0 HG22 ILE A 79 20.517 11.710 -19.878 1.00 0.00 H new ATOM 0 HG23 ILE A 79 18.763 11.813 -20.160 1.00 0.00 H new ATOM 0 HD11 ILE A 79 16.656 9.575 -17.391 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.363 9.666 -16.894 1.00 0.00 H new ATOM 0 HD13 ILE A 79 17.597 11.052 -17.706 1.00 0.00 H new ATOM 1185 N SER A 80 20.490 10.885 -22.585 1.00 0.00 N ATOM 1186 CA SER A 80 21.446 11.592 -23.423 1.00 0.00 C ATOM 1187 C SER A 80 20.837 12.932 -23.826 1.00 0.00 C ATOM 1188 O SER A 80 19.622 13.107 -23.731 1.00 0.00 O ATOM 1189 CB SER A 80 21.712 10.763 -24.690 1.00 0.00 C ATOM 1190 OG SER A 80 22.205 9.474 -24.371 1.00 0.00 O ATOM 0 H SER A 80 19.532 11.211 -22.712 1.00 0.00 H new ATOM 0 HA SER A 80 22.379 11.748 -22.882 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.791 10.670 -25.265 1.00 0.00 H new ATOM 0 HB3 SER A 80 22.432 11.283 -25.322 1.00 0.00 H new ATOM 0 HG SER A 80 22.363 8.971 -25.197 1.00 0.00 H new ATOM 1333 N HIS A 89 16.901 13.556 -23.602 1.00 0.00 N ATOM 1334 CA HIS A 89 16.153 12.479 -24.221 1.00 0.00 C ATOM 1335 C HIS A 89 16.313 11.231 -23.347 1.00 0.00 C ATOM 1336 O HIS A 89 17.348 11.068 -22.693 1.00 0.00 O ATOM 1337 CB HIS A 89 16.687 12.246 -25.639 1.00 0.00 C ATOM 1338 CG HIS A 89 15.770 11.391 -26.473 1.00 0.00 C ATOM 1339 ND1 HIS A 89 14.545 11.777 -26.962 1.00 0.00 N ATOM 1340 CD2 HIS A 89 15.994 10.112 -26.905 1.00 0.00 C ATOM 1341 CE1 HIS A 89 14.045 10.762 -27.684 1.00 0.00 C ATOM 1342 NE2 HIS A 89 14.892 9.717 -27.674 1.00 0.00 N ATOM 0 HA HIS A 89 15.094 12.724 -24.300 1.00 0.00 H new ATOM 0 HB2 HIS A 89 16.828 13.208 -26.132 1.00 0.00 H new ATOM 0 HB3 HIS A 89 17.666 11.771 -25.580 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.867 9.513 -26.691 1.00 0.00 H new ATOM 0 HE1 HIS A 89 13.097 10.782 -28.200 1.00 0.00 H new ATOM 0 HE2 HIS A 89 14.758 8.817 -28.134 1.00 0.00 H new ATOM 1350 N VAL A 90 15.316 10.346 -23.352 1.00 0.00 N ATOM 1351 CA VAL A 90 15.277 9.124 -22.552 1.00 0.00 C ATOM 1352 C VAL A 90 14.842 7.996 -23.495 1.00 0.00 C ATOM 1353 O VAL A 90 13.832 8.134 -24.189 1.00 0.00 O ATOM 1354 CB VAL A 90 14.298 9.282 -21.362 1.00 0.00 C ATOM 1355 CG1 VAL A 90 14.502 8.143 -20.354 1.00 0.00 C ATOM 1356 CG2 VAL A 90 14.422 10.623 -20.617 1.00 0.00 C ATOM 0 H VAL A 90 14.486 10.465 -23.933 1.00 0.00 H new ATOM 0 HA VAL A 90 16.252 8.902 -22.119 1.00 0.00 H new ATOM 0 HB VAL A 90 13.301 9.250 -21.801 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.808 8.265 -19.522 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.317 7.187 -20.843 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.525 8.167 -19.980 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.702 10.653 -19.799 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.431 10.725 -20.217 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.221 11.443 -21.307 1.00 0.00 H new ATOM 1366 N TYR A 91 15.608 6.909 -23.578 1.00 0.00 N ATOM 1367 CA TYR A 91 15.406 5.877 -24.594 1.00 0.00 C ATOM 1368 C TYR A 91 16.047 4.555 -24.160 1.00 0.00 C ATOM 1369 O TYR A 91 16.659 4.476 -23.091 1.00 0.00 O ATOM 1370 CB TYR A 91 15.970 6.369 -25.943 1.00 0.00 C ATOM 1371 CG TYR A 91 17.483 6.315 -26.117 1.00 0.00 C ATOM 1372 CD1 TYR A 91 18.346 7.022 -25.253 1.00 0.00 C ATOM 1373 CD2 TYR A 91 18.030 5.561 -27.175 1.00 0.00 C ATOM 1374 CE1 TYR A 91 19.738 6.951 -25.424 1.00 0.00 C ATOM 1375 CE2 TYR A 91 19.422 5.499 -27.363 1.00 0.00 C ATOM 1376 CZ TYR A 91 20.283 6.195 -26.485 1.00 0.00 C ATOM 1377 OH TYR A 91 21.636 6.131 -26.642 1.00 0.00 O ATOM 0 H TYR A 91 16.384 6.719 -22.944 1.00 0.00 H new ATOM 0 HA TYR A 91 14.339 5.690 -24.714 1.00 0.00 H new ATOM 0 HB2 TYR A 91 15.516 5.777 -26.737 1.00 0.00 H new ATOM 0 HB3 TYR A 91 15.648 7.400 -26.090 1.00 0.00 H new ATOM 0 HD1 TYR A 91 17.933 7.622 -24.455 1.00 0.00 H new ATOM 0 HD2 TYR A 91 17.374 5.027 -27.847 1.00 0.00 H new ATOM 0 HE1 TYR A 91 20.393 7.475 -24.743 1.00 0.00 H new ATOM 0 HE2 TYR A 91 19.833 4.920 -28.177 1.00 0.00 H new ATOM 0 HH TYR A 91 21.849 5.570 -27.417 1.00 0.00 H new ATOM 1387 N GLY A 92 15.943 3.522 -24.997 1.00 0.00 N ATOM 1388 CA GLY A 92 16.563 2.230 -24.742 1.00 0.00 C ATOM 1389 C GLY A 92 15.798 1.434 -23.686 1.00 0.00 C ATOM 1390 O GLY A 92 14.623 1.696 -23.415 1.00 0.00 O ATOM 0 H GLY A 92 15.423 3.563 -25.874 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.606 1.658 -25.669 1.00 0.00 H new ATOM 0 HA3 GLY A 92 17.591 2.379 -24.412 1.00 0.00 H new ATOM 1394 N TYR A 93 16.466 0.430 -23.118 1.00 0.00 N ATOM 1395 CA TYR A 93 15.914 -0.479 -22.123 1.00 0.00 C ATOM 1396 C TYR A 93 17.043 -0.937 -21.200 1.00 0.00 C ATOM 1397 O TYR A 93 18.200 -1.001 -21.625 1.00 0.00 O ATOM 1398 CB TYR A 93 15.262 -1.689 -22.820 1.00 0.00 C ATOM 1399 CG TYR A 93 16.178 -2.530 -23.699 1.00 0.00 C ATOM 1400 CD1 TYR A 93 16.423 -2.152 -25.033 1.00 0.00 C ATOM 1401 CD2 TYR A 93 16.770 -3.702 -23.188 1.00 0.00 C ATOM 1402 CE1 TYR A 93 17.271 -2.925 -25.845 1.00 0.00 C ATOM 1403 CE2 TYR A 93 17.623 -4.479 -23.994 1.00 0.00 C ATOM 1404 CZ TYR A 93 17.880 -4.091 -25.329 1.00 0.00 C ATOM 1405 OH TYR A 93 18.702 -4.829 -26.127 1.00 0.00 O ATOM 0 H TYR A 93 17.438 0.223 -23.348 1.00 0.00 H new ATOM 0 HA TYR A 93 15.148 0.029 -21.537 1.00 0.00 H new ATOM 0 HB2 TYR A 93 14.833 -2.335 -22.055 1.00 0.00 H new ATOM 0 HB3 TYR A 93 14.436 -1.328 -23.432 1.00 0.00 H new ATOM 0 HD1 TYR A 93 15.957 -1.264 -25.434 1.00 0.00 H new ATOM 0 HD2 TYR A 93 16.568 -4.006 -22.172 1.00 0.00 H new ATOM 0 HE1 TYR A 93 17.458 -2.627 -26.866 1.00 0.00 H new ATOM 0 HE2 TYR A 93 18.081 -5.371 -23.593 1.00 0.00 H new ATOM 0 HH TYR A 93 19.042 -5.598 -25.624 1.00 0.00 H new ATOM 1415 N SER A 94 16.719 -1.273 -19.949 1.00 0.00 N ATOM 1416 CA SER A 94 17.667 -1.920 -19.061 1.00 0.00 C ATOM 1417 C SER A 94 17.823 -3.366 -19.519 1.00 0.00 C ATOM 1418 O SER A 94 16.827 -4.073 -19.683 1.00 0.00 O ATOM 1419 CB SER A 94 17.173 -1.853 -17.614 1.00 0.00 C ATOM 1420 OG SER A 94 18.046 -2.568 -16.760 1.00 0.00 O ATOM 0 H SER A 94 15.803 -1.104 -19.534 1.00 0.00 H new ATOM 0 HA SER A 94 18.632 -1.414 -19.098 1.00 0.00 H new ATOM 0 HB2 SER A 94 17.110 -0.813 -17.292 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.168 -2.269 -17.547 1.00 0.00 H new ATOM 0 HG SER A 94 17.920 -2.266 -15.836 1.00 0.00 H new ATOM 1426 N MET A 95 19.062 -3.838 -19.668 1.00 0.00 N ATOM 1427 CA MET A 95 19.325 -5.257 -19.885 1.00 0.00 C ATOM 1428 C MET A 95 18.907 -6.074 -18.649 1.00 0.00 C ATOM 1429 O MET A 95 18.533 -7.240 -18.782 1.00 0.00 O ATOM 1430 CB MET A 95 20.815 -5.446 -20.220 1.00 0.00 C ATOM 1431 CG MET A 95 21.144 -6.878 -20.663 1.00 0.00 C ATOM 1432 SD MET A 95 22.851 -7.136 -21.232 1.00 0.00 S ATOM 1433 CE MET A 95 23.761 -6.944 -19.673 1.00 0.00 C ATOM 0 H MET A 95 19.899 -3.255 -19.642 1.00 0.00 H new ATOM 0 HA MET A 95 18.734 -5.622 -20.725 1.00 0.00 H new ATOM 0 HB2 MET A 95 21.096 -4.751 -21.011 1.00 0.00 H new ATOM 0 HB3 MET A 95 21.415 -5.193 -19.346 1.00 0.00 H new ATOM 0 HG2 MET A 95 20.949 -7.553 -19.830 1.00 0.00 H new ATOM 0 HG3 MET A 95 20.463 -7.159 -21.467 1.00 0.00 H new ATOM 0 HE1 MET A 95 24.819 -7.145 -19.842 1.00 0.00 H new ATOM 0 HE2 MET A 95 23.639 -5.926 -19.304 1.00 0.00 H new ATOM 0 HE3 MET A 95 23.372 -7.646 -18.936 1.00 0.00 H new ATOM 1443 N ALA A 96 18.955 -5.472 -17.451 1.00 0.00 N ATOM 1444 CA ALA A 96 18.668 -6.152 -16.193 1.00 0.00 C ATOM 1445 C ALA A 96 17.176 -6.113 -15.842 1.00 0.00 C ATOM 1446 O ALA A 96 16.662 -7.097 -15.306 1.00 0.00 O ATOM 1447 CB ALA A 96 19.475 -5.492 -15.069 1.00 0.00 C ATOM 0 H ALA A 96 19.198 -4.488 -17.334 1.00 0.00 H new ATOM 0 HA ALA A 96 18.952 -7.198 -16.306 1.00 0.00 H new ATOM 0 HB1 ALA A 96 19.265 -5.996 -14.126 1.00 0.00 H new ATOM 0 HB2 ALA A 96 20.539 -5.569 -15.292 1.00 0.00 H new ATOM 0 HB3 ALA A 96 19.196 -4.441 -14.989 1.00 0.00 H new ATOM 1453 N TYR A 97 16.481 -5.013 -16.159 1.00 0.00 N ATOM 1454 CA TYR A 97 15.120 -4.754 -15.676 1.00 0.00 C ATOM 1455 C TYR A 97 14.106 -4.462 -16.788 1.00 0.00 C ATOM 1456 O TYR A 97 12.936 -4.211 -16.492 1.00 0.00 O ATOM 1457 CB TYR A 97 15.173 -3.601 -14.655 1.00 0.00 C ATOM 1458 CG TYR A 97 16.223 -3.749 -13.564 1.00 0.00 C ATOM 1459 CD1 TYR A 97 16.294 -4.935 -12.805 1.00 0.00 C ATOM 1460 CD2 TYR A 97 17.133 -2.703 -13.309 1.00 0.00 C ATOM 1461 CE1 TYR A 97 17.277 -5.088 -11.812 1.00 0.00 C ATOM 1462 CE2 TYR A 97 18.106 -2.842 -12.303 1.00 0.00 C ATOM 1463 CZ TYR A 97 18.189 -4.040 -11.555 1.00 0.00 C ATOM 1464 OH TYR A 97 19.138 -4.177 -10.591 1.00 0.00 O ATOM 0 H TYR A 97 16.849 -4.275 -16.760 1.00 0.00 H new ATOM 0 HA TYR A 97 14.759 -5.669 -15.206 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.358 -2.670 -15.191 1.00 0.00 H new ATOM 0 HB3 TYR A 97 14.194 -3.508 -14.185 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.588 -5.732 -12.988 1.00 0.00 H new ATOM 0 HD2 TYR A 97 17.083 -1.792 -13.888 1.00 0.00 H new ATOM 0 HE1 TYR A 97 17.335 -6.006 -11.246 1.00 0.00 H new ATOM 0 HE2 TYR A 97 18.791 -2.032 -12.101 1.00 0.00 H new ATOM 0 HH TYR A 97 19.885 -4.706 -10.940 1.00 0.00 H new ATOM 1474 N GLY A 98 14.516 -4.509 -18.058 1.00 0.00 N ATOM 1475 CA GLY A 98 13.660 -4.194 -19.193 1.00 0.00 C ATOM 1476 C GLY A 98 13.430 -2.686 -19.337 1.00 0.00 C ATOM 1477 O GLY A 98 13.975 -1.886 -18.564 1.00 0.00 O ATOM 0 H GLY A 98 15.465 -4.771 -18.325 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.112 -4.581 -20.106 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.701 -4.697 -19.074 1.00 0.00 H new ATOM 1481 N PRO A 99 12.660 -2.261 -20.351 1.00 0.00 N ATOM 1482 CA PRO A 99 12.333 -0.859 -20.540 1.00 0.00 C ATOM 1483 C PRO A 99 11.401 -0.385 -19.423 1.00 0.00 C ATOM 1484 O PRO A 99 10.447 -1.075 -19.052 1.00 0.00 O ATOM 1485 CB PRO A 99 11.659 -0.771 -21.913 1.00 0.00 C ATOM 1486 CG PRO A 99 11.061 -2.164 -22.119 1.00 0.00 C ATOM 1487 CD PRO A 99 12.015 -3.089 -21.362 1.00 0.00 C ATOM 0 HA PRO A 99 13.214 -0.219 -20.502 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.890 0.001 -21.932 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.377 -0.525 -22.695 1.00 0.00 H new ATOM 0 HG2 PRO A 99 10.047 -2.226 -21.724 1.00 0.00 H new ATOM 0 HG3 PRO A 99 11.008 -2.424 -23.176 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.474 -3.916 -20.902 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.752 -3.526 -22.036 1.00 0.00 H new ATOM 1495 N ALA A 100 11.681 0.805 -18.892 1.00 0.00 N ATOM 1496 CA ALA A 100 10.769 1.497 -17.995 1.00 0.00 C ATOM 1497 C ALA A 100 9.565 2.021 -18.801 1.00 0.00 C ATOM 1498 O ALA A 100 9.532 1.916 -20.030 1.00 0.00 O ATOM 1499 CB ALA A 100 11.525 2.655 -17.344 1.00 0.00 C ATOM 0 H ALA A 100 12.547 1.312 -19.074 1.00 0.00 H new ATOM 0 HA ALA A 100 10.400 0.823 -17.221 1.00 0.00 H new ATOM 0 HB1 ALA A 100 10.859 3.189 -16.666 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.376 2.266 -16.785 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.880 3.338 -18.116 1.00 0.00 H new ATOM 1505 N GLN A 101 8.601 2.656 -18.123 1.00 0.00 N ATOM 1506 CA GLN A 101 7.518 3.371 -18.805 1.00 0.00 C ATOM 1507 C GLN A 101 8.062 4.513 -19.674 1.00 0.00 C ATOM 1508 O GLN A 101 7.481 4.801 -20.718 1.00 0.00 O ATOM 1509 CB GLN A 101 6.525 3.960 -17.787 1.00 0.00 C ATOM 1510 CG GLN A 101 5.724 2.930 -16.979 1.00 0.00 C ATOM 1511 CD GLN A 101 4.888 1.999 -17.862 1.00 0.00 C ATOM 1512 OE1 GLN A 101 5.259 0.855 -18.116 1.00 0.00 O ATOM 1513 NE2 GLN A 101 3.753 2.464 -18.362 1.00 0.00 N ATOM 0 H GLN A 101 8.550 2.689 -17.105 1.00 0.00 H new ATOM 0 HA GLN A 101 7.010 2.646 -19.441 1.00 0.00 H new ATOM 0 HB2 GLN A 101 7.076 4.593 -17.092 1.00 0.00 H new ATOM 0 HB3 GLN A 101 5.825 4.604 -18.319 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.411 2.333 -16.379 1.00 0.00 H new ATOM 0 HG3 GLN A 101 5.065 3.453 -16.285 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.452 3.414 -18.146 1.00 0.00 H new ATOM 0 HE22 GLN A 101 3.180 1.872 -18.963 1.00 0.00 H new ATOM 1522 N HIS A 102 9.147 5.164 -19.227 1.00 0.00 N ATOM 1523 CA HIS A 102 9.799 6.359 -19.774 1.00 0.00 C ATOM 1524 C HIS A 102 8.921 7.614 -19.862 1.00 0.00 C ATOM 1525 O HIS A 102 9.439 8.701 -19.618 1.00 0.00 O ATOM 1526 CB HIS A 102 10.493 6.042 -21.102 1.00 0.00 C ATOM 1527 CG HIS A 102 11.573 5.002 -20.975 1.00 0.00 C ATOM 1528 ND1 HIS A 102 12.677 5.097 -20.177 1.00 0.00 N flip ATOM 1529 CD2 HIS A 102 11.609 3.762 -21.573 1.00 0.00 C flip ATOM 1530 CE1 HIS A 102 13.390 3.898 -20.270 1.00 0.00 C flip ATOM 1531 NE2 HIS A 102 12.713 3.129 -21.138 1.00 0.00 N flip ATOM 0 H HIS A 102 9.634 4.834 -18.394 1.00 0.00 H new ATOM 0 HA HIS A 102 10.553 6.631 -19.036 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.749 5.697 -21.820 1.00 0.00 H new ATOM 0 HB3 HIS A 102 10.925 6.957 -21.506 1.00 0.00 H new ATOM 0 HD2 HIS A 102 10.881 3.368 -22.267 1.00 0.00 H new ATOM 0 HE1 HIS A 102 14.301 3.642 -19.749 1.00 0.00 H new ATOM 0 HE2 HIS A 102 12.997 2.193 -21.428 1.00 0.00 H new ATOM 1539 N ALA A 103 7.613 7.493 -20.103 1.00 0.00 N ATOM 1540 CA ALA A 103 6.661 8.594 -20.015 1.00 0.00 C ATOM 1541 C ALA A 103 6.695 9.232 -18.617 1.00 0.00 C ATOM 1542 O ALA A 103 6.743 10.458 -18.497 1.00 0.00 O ATOM 1543 CB ALA A 103 5.261 8.072 -20.351 1.00 0.00 C ATOM 0 H ALA A 103 7.182 6.608 -20.370 1.00 0.00 H new ATOM 0 HA ALA A 103 6.933 9.369 -20.732 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.543 8.890 -20.287 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.258 7.664 -21.362 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.985 7.290 -19.643 1.00 0.00 H new ATOM 1549 N ILE A 104 6.739 8.393 -17.571 1.00 0.00 N ATOM 1550 CA ILE A 104 6.908 8.816 -16.179 1.00 0.00 C ATOM 1551 C ILE A 104 8.159 9.689 -16.082 1.00 0.00 C ATOM 1552 O ILE A 104 8.108 10.786 -15.532 1.00 0.00 O ATOM 1553 CB ILE A 104 7.062 7.578 -15.259 1.00 0.00 C ATOM 1554 CG1 ILE A 104 5.879 6.589 -15.305 1.00 0.00 C ATOM 1555 CG2 ILE A 104 7.369 7.962 -13.798 1.00 0.00 C ATOM 1556 CD1 ILE A 104 4.586 7.078 -14.647 1.00 0.00 C ATOM 0 H ILE A 104 6.656 7.382 -17.675 1.00 0.00 H new ATOM 0 HA ILE A 104 6.032 9.380 -15.859 1.00 0.00 H new ATOM 0 HB ILE A 104 7.922 7.054 -15.677 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.668 6.350 -16.347 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.184 5.661 -14.821 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.467 7.058 -13.197 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.300 8.527 -13.758 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.557 8.573 -13.404 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.819 6.308 -14.735 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.771 7.288 -13.593 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.246 7.987 -15.144 1.00 0.00 H new ATOM 1568 N SER A 105 9.274 9.196 -16.621 1.00 0.00 N ATOM 1569 CA SER A 105 10.574 9.820 -16.518 1.00 0.00 C ATOM 1570 C SER A 105 10.537 11.224 -17.111 1.00 0.00 C ATOM 1571 O SER A 105 10.907 12.177 -16.426 1.00 0.00 O ATOM 1572 CB SER A 105 11.601 8.908 -17.195 1.00 0.00 C ATOM 1573 OG SER A 105 11.397 7.574 -16.742 1.00 0.00 O ATOM 0 H SER A 105 9.288 8.327 -17.154 1.00 0.00 H new ATOM 0 HA SER A 105 10.866 9.943 -15.475 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.495 8.959 -18.279 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.613 9.237 -16.958 1.00 0.00 H new ATOM 0 HG SER A 105 12.162 7.019 -17.003 1.00 0.00 H new ATOM 1579 N THR A 106 10.017 11.370 -18.332 1.00 0.00 N ATOM 1580 CA THR A 106 9.812 12.677 -18.946 1.00 0.00 C ATOM 1581 C THR A 106 8.953 13.591 -18.066 1.00 0.00 C ATOM 1582 O THR A 106 9.352 14.729 -17.826 1.00 0.00 O ATOM 1583 CB THR A 106 9.220 12.551 -20.365 1.00 0.00 C ATOM 1584 OG1 THR A 106 8.408 11.408 -20.535 1.00 0.00 O ATOM 1585 CG2 THR A 106 10.329 12.461 -21.411 1.00 0.00 C ATOM 0 H THR A 106 9.728 10.587 -18.918 1.00 0.00 H new ATOM 0 HA THR A 106 10.793 13.142 -19.038 1.00 0.00 H new ATOM 0 HB THR A 106 8.611 13.446 -20.495 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.904 11.239 -19.711 1.00 0.00 H new ATOM 0 HG21 THR A 106 9.887 12.373 -22.403 1.00 0.00 H new ATOM 0 HG22 THR A 106 10.945 13.359 -21.367 1.00 0.00 H new ATOM 0 HG23 THR A 106 10.948 11.587 -21.211 1.00 0.00 H new ATOM 1593 N GLU A 107 7.808 13.124 -17.558 1.00 0.00 N ATOM 1594 CA GLU A 107 6.905 13.971 -16.785 1.00 0.00 C ATOM 1595 C GLU A 107 7.573 14.439 -15.488 1.00 0.00 C ATOM 1596 O GLU A 107 7.513 15.624 -15.159 1.00 0.00 O ATOM 1597 CB GLU A 107 5.586 13.239 -16.490 1.00 0.00 C ATOM 1598 CG GLU A 107 4.685 13.161 -17.731 1.00 0.00 C ATOM 1599 CD GLU A 107 3.334 12.496 -17.408 1.00 0.00 C ATOM 1600 OE1 GLU A 107 2.398 13.200 -16.965 1.00 0.00 O ATOM 1601 OE2 GLU A 107 3.178 11.271 -17.615 1.00 0.00 O ATOM 0 H GLU A 107 7.488 12.162 -17.671 1.00 0.00 H new ATOM 0 HA GLU A 107 6.674 14.853 -17.383 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.802 12.232 -16.134 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.056 13.754 -15.688 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.514 14.164 -18.121 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.191 12.597 -18.514 1.00 0.00 H new ATOM 1608 N LYS A 108 8.247 13.540 -14.765 1.00 0.00 N ATOM 1609 CA LYS A 108 8.918 13.898 -13.519 1.00 0.00 C ATOM 1610 C LYS A 108 10.092 14.837 -13.783 1.00 0.00 C ATOM 1611 O LYS A 108 10.260 15.812 -13.050 1.00 0.00 O ATOM 1612 CB LYS A 108 9.373 12.639 -12.761 1.00 0.00 C ATOM 1613 CG LYS A 108 8.245 11.749 -12.207 1.00 0.00 C ATOM 1614 CD LYS A 108 7.200 12.545 -11.407 1.00 0.00 C ATOM 1615 CE LYS A 108 6.451 11.703 -10.367 1.00 0.00 C ATOM 1616 NZ LYS A 108 7.328 11.299 -9.245 1.00 0.00 N ATOM 0 H LYS A 108 8.341 12.558 -15.025 1.00 0.00 H new ATOM 0 HA LYS A 108 8.203 14.427 -12.889 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.990 12.038 -13.429 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.009 12.947 -11.931 1.00 0.00 H new ATOM 0 HG2 LYS A 108 7.752 11.238 -13.034 1.00 0.00 H new ATOM 0 HG3 LYS A 108 8.676 10.979 -11.568 1.00 0.00 H new ATOM 0 HD2 LYS A 108 7.696 13.374 -10.902 1.00 0.00 H new ATOM 0 HD3 LYS A 108 6.478 12.979 -12.099 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.606 12.273 -9.980 1.00 0.00 H new ATOM 0 HE3 LYS A 108 6.043 10.813 -10.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.617 10.308 -9.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 8.172 11.906 -9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 6.812 11.399 -8.348 1.00 0.00 H new ATOM 1630 N ILE A 109 10.885 14.595 -14.830 1.00 0.00 N ATOM 1631 CA ILE A 109 11.970 15.491 -15.212 1.00 0.00 C ATOM 1632 C ILE A 109 11.378 16.872 -15.528 1.00 0.00 C ATOM 1633 O ILE A 109 11.866 17.863 -14.987 1.00 0.00 O ATOM 1634 CB ILE A 109 12.798 14.859 -16.360 1.00 0.00 C ATOM 1635 CG1 ILE A 109 13.662 13.686 -15.830 1.00 0.00 C ATOM 1636 CG2 ILE A 109 13.721 15.878 -17.055 1.00 0.00 C ATOM 1637 CD1 ILE A 109 14.229 12.780 -16.933 1.00 0.00 C ATOM 0 H ILE A 109 10.791 13.776 -15.431 1.00 0.00 H new ATOM 0 HA ILE A 109 12.679 15.637 -14.397 1.00 0.00 H new ATOM 0 HB ILE A 109 12.076 14.497 -17.092 1.00 0.00 H new ATOM 0 HG12 ILE A 109 14.489 14.092 -15.247 1.00 0.00 H new ATOM 0 HG13 ILE A 109 13.059 13.082 -15.152 1.00 0.00 H new ATOM 0 HG21 ILE A 109 14.277 15.382 -17.850 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.120 16.683 -17.479 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.419 16.292 -16.328 1.00 0.00 H new ATOM 0 HD11 ILE A 109 14.821 11.984 -16.481 1.00 0.00 H new ATOM 0 HD12 ILE A 109 13.409 12.343 -17.503 1.00 0.00 H new ATOM 0 HD13 ILE A 109 14.860 13.369 -17.599 1.00 0.00 H new ATOM 1649 N LYS A 110 10.306 16.975 -16.324 1.00 0.00 N ATOM 1650 CA LYS A 110 9.690 18.273 -16.622 1.00 0.00 C ATOM 1651 C LYS A 110 9.146 18.942 -15.360 1.00 0.00 C ATOM 1652 O LYS A 110 9.211 20.163 -15.267 1.00 0.00 O ATOM 1653 CB LYS A 110 8.590 18.151 -17.694 1.00 0.00 C ATOM 1654 CG LYS A 110 9.193 17.855 -19.073 1.00 0.00 C ATOM 1655 CD LYS A 110 8.141 17.752 -20.182 1.00 0.00 C ATOM 1656 CE LYS A 110 8.855 17.480 -21.515 1.00 0.00 C ATOM 1657 NZ LYS A 110 7.913 17.297 -22.649 1.00 0.00 N ATOM 0 H LYS A 110 9.850 16.180 -16.771 1.00 0.00 H new ATOM 0 HA LYS A 110 10.477 18.910 -17.025 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.896 17.356 -17.419 1.00 0.00 H new ATOM 0 HB3 LYS A 110 8.015 19.076 -17.736 1.00 0.00 H new ATOM 0 HG2 LYS A 110 9.904 18.641 -19.328 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.753 16.921 -19.025 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.436 16.951 -19.961 1.00 0.00 H new ATOM 0 HD3 LYS A 110 7.565 18.675 -20.243 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.527 18.309 -21.737 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.473 16.588 -21.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.450 17.117 -23.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.288 16.489 -22.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.340 18.157 -22.767 1.00 0.00 H new ATOM 1671 N ALA A 111 8.640 18.185 -14.381 1.00 0.00 N ATOM 1672 CA ALA A 111 8.192 18.757 -13.116 1.00 0.00 C ATOM 1673 C ALA A 111 9.363 19.374 -12.336 1.00 0.00 C ATOM 1674 O ALA A 111 9.203 20.442 -11.742 1.00 0.00 O ATOM 1675 CB ALA A 111 7.478 17.691 -12.275 1.00 0.00 C ATOM 0 H ALA A 111 8.532 17.173 -14.445 1.00 0.00 H new ATOM 0 HA ALA A 111 7.486 19.558 -13.337 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.149 18.131 -11.334 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.613 17.315 -12.822 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.164 16.869 -12.071 1.00 0.00 H new ATOM 1681 N LYS A 112 10.530 18.715 -12.314 1.00 0.00 N ATOM 1682 CA LYS A 112 11.673 19.134 -11.493 1.00 0.00 C ATOM 1683 C LYS A 112 12.626 20.097 -12.211 1.00 0.00 C ATOM 1684 O LYS A 112 13.403 20.773 -11.537 1.00 0.00 O ATOM 1685 CB LYS A 112 12.412 17.898 -10.952 1.00 0.00 C ATOM 1686 CG LYS A 112 11.581 17.119 -9.911 1.00 0.00 C ATOM 1687 CD LYS A 112 11.175 17.892 -8.642 1.00 0.00 C ATOM 1688 CE LYS A 112 12.378 18.504 -7.906 1.00 0.00 C ATOM 1689 NZ LYS A 112 11.976 19.218 -6.668 1.00 0.00 N ATOM 0 H LYS A 112 10.707 17.876 -12.866 1.00 0.00 H new ATOM 0 HA LYS A 112 11.272 19.705 -10.656 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.661 17.236 -11.781 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.353 18.211 -10.500 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.674 16.760 -10.397 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.150 16.240 -9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.479 18.686 -8.913 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.645 17.220 -7.967 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.087 17.715 -7.654 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.894 19.196 -8.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.820 19.614 -6.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.320 19.988 -6.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.507 18.553 -6.021 1.00 0.00 H new ATOM 1703 N TYR A 113 12.567 20.182 -13.542 1.00 0.00 N ATOM 1704 CA TYR A 113 13.451 20.981 -14.391 1.00 0.00 C ATOM 1705 C TYR A 113 14.953 20.845 -14.048 1.00 0.00 C ATOM 1706 O TYR A 113 15.608 21.855 -13.774 1.00 0.00 O ATOM 1707 CB TYR A 113 12.985 22.450 -14.444 1.00 0.00 C ATOM 1708 CG TYR A 113 11.619 22.690 -15.059 1.00 0.00 C ATOM 1709 CD1 TYR A 113 11.447 22.545 -16.449 1.00 0.00 C ATOM 1710 CD2 TYR A 113 10.542 23.118 -14.258 1.00 0.00 C ATOM 1711 CE1 TYR A 113 10.201 22.821 -17.041 1.00 0.00 C ATOM 1712 CE2 TYR A 113 9.294 23.399 -14.843 1.00 0.00 C ATOM 1713 CZ TYR A 113 9.117 23.247 -16.239 1.00 0.00 C ATOM 1714 OH TYR A 113 7.903 23.525 -16.796 1.00 0.00 O ATOM 0 H TYR A 113 11.868 19.671 -14.082 1.00 0.00 H new ATOM 0 HA TYR A 113 13.366 20.564 -15.395 1.00 0.00 H new ATOM 0 HB2 TYR A 113 12.980 22.846 -13.429 1.00 0.00 H new ATOM 0 HB3 TYR A 113 13.721 23.024 -15.006 1.00 0.00 H new ATOM 0 HD1 TYR A 113 12.274 22.221 -17.063 1.00 0.00 H new ATOM 0 HD2 TYR A 113 10.675 23.231 -13.192 1.00 0.00 H new ATOM 0 HE1 TYR A 113 10.072 22.708 -18.107 1.00 0.00 H new ATOM 0 HE2 TYR A 113 8.471 23.731 -14.227 1.00 0.00 H new ATOM 0 HH TYR A 113 7.277 23.802 -16.095 1.00 0.00 H new ATOM 1771 N GLU A 117 13.917 21.129 -20.755 1.00 0.00 N ATOM 1772 CA GLU A 117 12.906 20.213 -21.277 1.00 0.00 C ATOM 1773 C GLU A 117 13.571 18.858 -21.560 1.00 0.00 C ATOM 1774 O GLU A 117 14.796 18.718 -21.501 1.00 0.00 O ATOM 1775 CB GLU A 117 12.237 20.829 -22.532 1.00 0.00 C ATOM 1776 CG GLU A 117 10.906 20.179 -22.936 1.00 0.00 C ATOM 1777 CD GLU A 117 10.181 20.996 -24.019 1.00 0.00 C ATOM 1778 OE1 GLU A 117 10.464 20.787 -25.220 1.00 0.00 O ATOM 1779 OE2 GLU A 117 9.312 21.831 -23.681 1.00 0.00 O ATOM 0 HA GLU A 117 12.112 20.050 -20.548 1.00 0.00 H new ATOM 0 HB2 GLU A 117 12.067 21.890 -22.352 1.00 0.00 H new ATOM 0 HB3 GLU A 117 12.931 20.755 -23.370 1.00 0.00 H new ATOM 0 HG2 GLU A 117 11.091 19.170 -23.304 1.00 0.00 H new ATOM 0 HG3 GLU A 117 10.265 20.087 -22.059 1.00 0.00 H new ATOM 1786 N VAL A 118 12.765 17.846 -21.877 1.00 0.00 N ATOM 1787 CA VAL A 118 13.197 16.482 -22.129 1.00 0.00 C ATOM 1788 C VAL A 118 12.208 15.845 -23.111 1.00 0.00 C ATOM 1789 O VAL A 118 11.082 16.329 -23.262 1.00 0.00 O ATOM 1790 CB VAL A 118 13.314 15.736 -20.780 1.00 0.00 C ATOM 1791 CG1 VAL A 118 12.000 15.772 -19.991 1.00 0.00 C ATOM 1792 CG2 VAL A 118 13.814 14.289 -20.891 1.00 0.00 C ATOM 0 H VAL A 118 11.756 17.963 -21.967 1.00 0.00 H new ATOM 0 HA VAL A 118 14.184 16.436 -22.590 1.00 0.00 H new ATOM 0 HB VAL A 118 14.081 16.288 -20.236 1.00 0.00 H new ATOM 0 HG11 VAL A 118 12.126 15.236 -19.050 1.00 0.00 H new ATOM 0 HG12 VAL A 118 11.727 16.807 -19.786 1.00 0.00 H new ATOM 0 HG13 VAL A 118 11.212 15.298 -20.576 1.00 0.00 H new ATOM 0 HG21 VAL A 118 13.865 13.844 -19.897 1.00 0.00 H new ATOM 0 HG22 VAL A 118 13.127 13.713 -21.511 1.00 0.00 H new ATOM 0 HG23 VAL A 118 14.806 14.280 -21.343 1.00 0.00 H new ATOM 1802 N THR A 119 12.610 14.749 -23.745 1.00 0.00 N ATOM 1803 CA THR A 119 11.815 13.971 -24.686 1.00 0.00 C ATOM 1804 C THR A 119 12.048 12.480 -24.405 1.00 0.00 C ATOM 1805 O THR A 119 12.933 12.131 -23.617 1.00 0.00 O ATOM 1806 CB THR A 119 12.211 14.375 -26.121 1.00 0.00 C ATOM 1807 OG1 THR A 119 13.622 14.445 -26.283 1.00 0.00 O ATOM 1808 CG2 THR A 119 11.611 15.722 -26.519 1.00 0.00 C ATOM 0 H THR A 119 13.544 14.361 -23.610 1.00 0.00 H new ATOM 0 HA THR A 119 10.749 14.167 -24.573 1.00 0.00 H new ATOM 0 HB THR A 119 11.811 13.595 -26.769 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.965 13.565 -26.543 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.914 15.969 -27.536 1.00 0.00 H new ATOM 0 HG22 THR A 119 10.524 15.665 -26.468 1.00 0.00 H new ATOM 0 HG23 THR A 119 11.966 16.494 -25.837 1.00 0.00 H new ATOM 1816 N TRP A 120 11.291 11.586 -25.042 1.00 0.00 N ATOM 1817 CA TRP A 120 11.559 10.152 -24.964 1.00 0.00 C ATOM 1818 C TRP A 120 11.233 9.461 -26.278 1.00 0.00 C ATOM 1819 O TRP A 120 10.598 10.049 -27.159 1.00 0.00 O ATOM 1820 CB TRP A 120 10.798 9.482 -23.802 1.00 0.00 C ATOM 1821 CG TRP A 120 9.318 9.276 -23.954 1.00 0.00 C ATOM 1822 CD1 TRP A 120 8.378 10.242 -24.016 1.00 0.00 C ATOM 1823 CD2 TRP A 120 8.580 8.017 -24.031 1.00 0.00 C ATOM 1824 NE1 TRP A 120 7.118 9.678 -24.048 1.00 0.00 N ATOM 1825 CE2 TRP A 120 7.182 8.302 -24.059 1.00 0.00 C ATOM 1826 CE3 TRP A 120 8.951 6.656 -24.069 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 6.206 7.294 -24.086 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 7.981 5.636 -24.068 1.00 0.00 C ATOM 1829 CH2 TRP A 120 6.612 5.950 -24.078 1.00 0.00 C ATOM 0 H TRP A 120 10.486 11.832 -25.618 1.00 0.00 H new ATOM 0 HA TRP A 120 12.625 10.041 -24.767 1.00 0.00 H new ATOM 0 HB2 TRP A 120 11.254 8.508 -23.622 1.00 0.00 H new ATOM 0 HB3 TRP A 120 10.961 10.081 -22.906 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.582 11.302 -24.037 1.00 0.00 H new ATOM 0 HE1 TRP A 120 6.250 10.213 -24.062 1.00 0.00 H new ATOM 0 HE3 TRP A 120 9.998 6.392 -24.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 5.157 7.549 -24.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 8.292 4.602 -24.059 1.00 0.00 H new ATOM 0 HH2 TRP A 120 5.875 5.161 -24.080 1.00 0.00 H new ATOM 1840 N ALA A 121 11.648 8.200 -26.382 1.00 0.00 N ATOM 1841 CA ALA A 121 11.265 7.290 -27.442 1.00 0.00 C ATOM 1842 C ALA A 121 11.121 5.899 -26.825 1.00 0.00 C ATOM 1843 O ALA A 121 11.884 5.528 -25.931 1.00 0.00 O ATOM 1844 CB ALA A 121 12.317 7.286 -28.558 1.00 0.00 C ATOM 0 H ALA A 121 12.281 7.776 -25.704 1.00 0.00 H new ATOM 0 HA ALA A 121 10.322 7.603 -27.891 1.00 0.00 H new ATOM 0 HB1 ALA A 121 12.011 6.596 -29.344 1.00 0.00 H new ATOM 0 HB2 ALA A 121 12.412 8.290 -28.972 1.00 0.00 H new ATOM 0 HB3 ALA A 121 13.277 6.969 -28.152 1.00 0.00 H new