USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 667 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 60 LYS NZ :NH3+ -122:sc= -0.109 (180deg=0) USER MOD Set 1.2: A 62 HIS : no HD1:sc= -7.37! C(o=-7.5!,f=-6.7!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 73:sc= -0.0863 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.973 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 164:sc= 0.0128 (180deg=0.00108) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 159:sc= 0 (180deg=-0.795) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -176:sc= -2.99 (180deg=-3.05) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 14:sc= -0.727 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -2.68! C(o=-2.7!,f=-3.1!) USER MOD Single : A 82 ASN : amide:sc= -5.5! K(o=-5.5!,f=-1.8) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -141:sc= 1.46 (180deg=0.0357) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -5.68! C(o=-5.7!,f=-12!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 142 N GLU A 10 -9.073 -0.801 -12.333 1.00 0.00 N ATOM 143 CA GLU A 10 -8.413 -2.080 -12.129 1.00 0.00 C ATOM 144 C GLU A 10 -9.382 -3.257 -12.182 1.00 0.00 C ATOM 145 O GLU A 10 -10.444 -3.243 -11.561 1.00 0.00 O ATOM 146 CB GLU A 10 -7.629 -2.085 -10.812 1.00 0.00 C ATOM 147 CG GLU A 10 -8.290 -1.324 -9.673 1.00 0.00 C ATOM 148 CD GLU A 10 -9.729 -1.738 -9.443 1.00 0.00 C ATOM 149 OE1 GLU A 10 -9.950 -2.789 -8.806 1.00 0.00 O ATOM 150 OE2 GLU A 10 -10.636 -1.012 -9.901 1.00 0.00 O ATOM 0 HA GLU A 10 -7.715 -2.207 -12.956 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.477 -3.118 -10.500 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.642 -1.658 -10.991 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.721 -1.484 -8.757 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.255 -0.256 -9.888 1.00 0.00 H new ATOM 157 N LYS A 11 -8.990 -4.283 -12.939 1.00 0.00 N ATOM 158 CA LYS A 11 -9.794 -5.491 -13.099 1.00 0.00 C ATOM 159 C LYS A 11 -9.831 -6.294 -11.795 1.00 0.00 C ATOM 160 O LYS A 11 -9.747 -5.723 -10.707 1.00 0.00 O ATOM 161 CB LYS A 11 -9.231 -6.343 -14.240 1.00 0.00 C ATOM 162 CG LYS A 11 -8.969 -5.558 -15.516 1.00 0.00 C ATOM 163 CD LYS A 11 -8.341 -6.435 -16.589 1.00 0.00 C ATOM 164 CE LYS A 11 -9.360 -7.382 -17.204 1.00 0.00 C ATOM 165 NZ LYS A 11 -9.339 -7.329 -18.692 1.00 0.00 N ATOM 0 H LYS A 11 -8.110 -4.298 -13.455 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.816 -5.202 -13.345 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.301 -6.806 -13.911 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.930 -7.151 -14.458 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.905 -5.141 -15.887 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.310 -4.718 -15.299 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.911 -5.806 -17.368 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.523 -7.011 -16.156 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.155 -8.400 -16.874 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.357 -7.125 -16.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.047 -7.988 -19.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.560 -6.363 -19.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.395 -7.598 -19.036 1.00 0.00 H new ATOM 179 N ASP A 12 -9.958 -7.618 -11.904 1.00 0.00 N ATOM 180 CA ASP A 12 -10.004 -8.477 -10.728 1.00 0.00 C ATOM 181 C ASP A 12 -9.123 -9.710 -10.901 1.00 0.00 C ATOM 182 O ASP A 12 -9.293 -10.709 -10.199 1.00 0.00 O ATOM 183 CB ASP A 12 -11.444 -8.905 -10.439 1.00 0.00 C ATOM 184 CG ASP A 12 -12.083 -9.616 -11.616 1.00 0.00 C ATOM 185 OD1 ASP A 12 -11.697 -10.771 -11.892 1.00 0.00 O ATOM 186 OD2 ASP A 12 -12.968 -9.016 -12.263 1.00 0.00 O ATOM 0 H ASP A 12 -10.030 -8.113 -12.793 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.621 -7.902 -9.885 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.457 -9.563 -9.570 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.037 -8.027 -10.183 1.00 0.00 H new ATOM 191 N GLY A 13 -8.188 -9.642 -11.840 1.00 0.00 N ATOM 192 CA GLY A 13 -7.301 -10.766 -12.087 1.00 0.00 C ATOM 193 C GLY A 13 -5.944 -10.600 -11.428 1.00 0.00 C ATOM 194 O GLY A 13 -5.782 -9.782 -10.522 1.00 0.00 O ATOM 0 H GLY A 13 -8.027 -8.830 -12.436 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.769 -11.680 -11.720 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.166 -10.887 -13.162 1.00 0.00 H new ATOM 198 N ALA A 14 -4.969 -11.383 -11.881 1.00 0.00 N ATOM 199 CA ALA A 14 -3.619 -11.329 -11.326 1.00 0.00 C ATOM 200 C ALA A 14 -2.920 -10.017 -11.675 1.00 0.00 C ATOM 201 O ALA A 14 -3.524 -9.113 -12.250 1.00 0.00 O ATOM 202 CB ALA A 14 -2.801 -12.512 -11.822 1.00 0.00 C ATOM 0 H ALA A 14 -5.088 -12.063 -12.632 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.702 -11.381 -10.240 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.796 -12.461 -11.402 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.278 -13.441 -11.510 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.741 -12.482 -12.910 1.00 0.00 H new ATOM 208 N VAL A 15 -1.626 -9.949 -11.371 1.00 0.00 N ATOM 209 CA VAL A 15 -0.822 -8.779 -11.707 1.00 0.00 C ATOM 210 C VAL A 15 -0.656 -8.657 -13.216 1.00 0.00 C ATOM 211 O VAL A 15 -0.587 -9.668 -13.915 1.00 0.00 O ATOM 212 CB VAL A 15 0.569 -8.823 -11.049 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.369 -10.020 -11.545 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.322 -7.521 -11.297 1.00 0.00 C ATOM 0 H VAL A 15 -1.113 -10.690 -10.893 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.356 -7.910 -11.322 1.00 0.00 H new ATOM 0 HB VAL A 15 0.433 -8.936 -9.973 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.348 -10.028 -11.065 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.837 -10.940 -11.300 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.496 -9.951 -12.625 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.303 -7.572 -10.824 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.444 -7.370 -12.370 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.759 -6.689 -10.875 1.00 0.00 H new ATOM 224 N GLU A 16 -0.551 -7.436 -13.719 1.00 0.00 N ATOM 225 CA GLU A 16 -0.346 -7.220 -15.143 1.00 0.00 C ATOM 226 C GLU A 16 0.718 -6.150 -15.369 1.00 0.00 C ATOM 227 O GLU A 16 1.119 -5.456 -14.435 1.00 0.00 O ATOM 228 CB GLU A 16 -1.654 -6.834 -15.842 1.00 0.00 C ATOM 229 CG GLU A 16 -2.243 -7.951 -16.686 1.00 0.00 C ATOM 230 CD GLU A 16 -1.774 -7.907 -18.127 1.00 0.00 C ATOM 231 OE1 GLU A 16 -0.557 -7.738 -18.350 1.00 0.00 O ATOM 232 OE2 GLU A 16 -2.625 -8.041 -19.033 1.00 0.00 O ATOM 0 H GLU A 16 -0.604 -6.582 -13.164 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.000 -8.157 -15.579 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.384 -6.534 -15.090 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.475 -5.966 -16.476 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.972 -8.912 -16.249 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.331 -7.885 -16.660 1.00 0.00 H new ATOM 239 N ALA A 17 1.194 -6.067 -16.610 1.00 0.00 N ATOM 240 CA ALA A 17 2.256 -5.123 -16.990 1.00 0.00 C ATOM 241 C ALA A 17 2.369 -3.961 -15.997 1.00 0.00 C ATOM 242 O ALA A 17 3.308 -3.914 -15.201 1.00 0.00 O ATOM 243 CB ALA A 17 2.011 -4.593 -18.394 1.00 0.00 C ATOM 0 H ALA A 17 0.860 -6.646 -17.380 1.00 0.00 H new ATOM 0 HA ALA A 17 3.201 -5.666 -16.970 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.804 -3.895 -18.663 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.003 -5.423 -19.100 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.050 -4.080 -18.427 1.00 0.00 H new ATOM 249 N GLU A 18 1.430 -3.021 -16.043 1.00 0.00 N ATOM 250 CA GLU A 18 1.470 -1.869 -15.139 1.00 0.00 C ATOM 251 C GLU A 18 0.241 -1.825 -14.232 1.00 0.00 C ATOM 252 O GLU A 18 -0.634 -0.972 -14.389 1.00 0.00 O ATOM 253 CB GLU A 18 1.577 -0.568 -15.938 1.00 0.00 C ATOM 254 CG GLU A 18 0.609 -0.484 -17.107 1.00 0.00 C ATOM 255 CD GLU A 18 0.540 0.907 -17.705 1.00 0.00 C ATOM 256 OE1 GLU A 18 1.438 1.258 -18.498 1.00 0.00 O ATOM 257 OE2 GLU A 18 -0.413 1.646 -17.382 1.00 0.00 O ATOM 0 H GLU A 18 0.639 -3.030 -16.687 1.00 0.00 H new ATOM 0 HA GLU A 18 2.352 -1.976 -14.507 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.398 0.274 -15.269 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.595 -0.466 -16.314 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.913 -1.193 -17.878 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.385 -0.782 -16.774 1.00 0.00 H new ATOM 264 N ASP A 19 0.179 -2.769 -13.294 1.00 0.00 N ATOM 265 CA ASP A 19 -0.945 -2.874 -12.363 1.00 0.00 C ATOM 266 C ASP A 19 -0.620 -2.263 -10.998 1.00 0.00 C ATOM 267 O ASP A 19 0.459 -1.711 -10.795 1.00 0.00 O ATOM 268 CB ASP A 19 -1.294 -4.345 -12.176 1.00 0.00 C ATOM 269 CG ASP A 19 -2.021 -4.925 -13.368 1.00 0.00 C ATOM 270 OD1 ASP A 19 -1.841 -4.402 -14.488 1.00 0.00 O ATOM 271 OD2 ASP A 19 -2.769 -5.908 -13.181 1.00 0.00 O ATOM 0 H ASP A 19 0.900 -3.478 -13.158 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.784 -2.322 -12.786 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.380 -4.912 -12.001 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.914 -4.458 -11.287 1.00 0.00 H new ATOM 276 N ARG A 20 -1.563 -2.393 -10.055 1.00 0.00 N ATOM 277 CA ARG A 20 -1.372 -1.883 -8.700 1.00 0.00 C ATOM 278 C ARG A 20 -1.981 -2.848 -7.679 1.00 0.00 C ATOM 279 O ARG A 20 -3.192 -3.064 -7.661 1.00 0.00 O ATOM 280 CB ARG A 20 -1.986 -0.494 -8.538 1.00 0.00 C ATOM 281 CG ARG A 20 -1.112 0.459 -7.742 1.00 0.00 C ATOM 282 CD ARG A 20 -0.874 1.771 -8.471 1.00 0.00 C ATOM 283 NE ARG A 20 -0.289 2.773 -7.583 1.00 0.00 N ATOM 284 CZ ARG A 20 -0.368 4.086 -7.784 1.00 0.00 C ATOM 285 NH1 ARG A 20 -1.009 4.566 -8.840 1.00 0.00 N ATOM 286 NH2 ARG A 20 0.198 4.918 -6.921 1.00 0.00 N ATOM 0 H ARG A 20 -2.463 -2.847 -10.210 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.300 -1.802 -8.521 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.171 -0.069 -9.524 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.953 -0.587 -8.045 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.582 0.661 -6.780 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.154 -0.018 -7.535 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.211 1.603 -9.320 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.817 2.143 -8.872 1.00 0.00 H new ATOM 0 HE ARG A 20 0.212 2.445 -6.757 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.446 3.928 -9.505 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.066 5.574 -8.988 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.691 4.551 -6.107 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.140 5.925 -7.071 1.00 0.00 H new ATOM 300 N VAL A 21 -1.131 -3.418 -6.829 1.00 0.00 N ATOM 301 CA VAL A 21 -1.565 -4.354 -5.793 1.00 0.00 C ATOM 302 C VAL A 21 -1.822 -3.650 -4.460 1.00 0.00 C ATOM 303 O VAL A 21 -1.420 -2.502 -4.268 1.00 0.00 O ATOM 304 CB VAL A 21 -0.501 -5.446 -5.565 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.316 -6.298 -6.813 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.817 -4.812 -5.148 1.00 0.00 C ATOM 0 H VAL A 21 -0.126 -3.246 -6.838 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.495 -4.799 -6.146 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.845 -6.100 -4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.440 -7.060 -6.624 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.260 -6.779 -7.069 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.005 -5.666 -7.641 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.562 -5.592 -4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.160 -4.137 -5.932 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.675 -4.252 -4.223 1.00 0.00 H new ATOM 316 N THR A 22 -2.443 -4.367 -3.523 1.00 0.00 N ATOM 317 CA THR A 22 -2.692 -3.832 -2.191 1.00 0.00 C ATOM 318 C THR A 22 -1.984 -4.713 -1.169 1.00 0.00 C ATOM 319 O THR A 22 -2.328 -5.882 -1.010 1.00 0.00 O ATOM 320 CB THR A 22 -4.187 -3.778 -1.882 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.868 -2.974 -2.828 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.484 -3.225 -0.502 1.00 0.00 C ATOM 0 H THR A 22 -2.781 -5.319 -3.665 1.00 0.00 H new ATOM 0 HA THR A 22 -2.308 -2.813 -2.145 1.00 0.00 H new ATOM 0 HB THR A 22 -4.534 -4.810 -1.928 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.924 -3.451 -3.682 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.562 -3.211 -0.340 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.012 -3.855 0.252 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.092 -2.211 -0.424 1.00 0.00 H new ATOM 330 N ILE A 23 -0.973 -4.168 -0.503 1.00 0.00 N ATOM 331 CA ILE A 23 -0.216 -4.946 0.468 1.00 0.00 C ATOM 332 C ILE A 23 -0.123 -4.265 1.835 1.00 0.00 C ATOM 333 O ILE A 23 -0.234 -3.045 1.952 1.00 0.00 O ATOM 334 CB ILE A 23 1.226 -5.202 -0.020 1.00 0.00 C ATOM 335 CG1 ILE A 23 1.984 -3.880 -0.150 1.00 0.00 C ATOM 336 CG2 ILE A 23 1.246 -5.968 -1.337 1.00 0.00 C ATOM 337 CD1 ILE A 23 3.388 -4.040 -0.682 1.00 0.00 C ATOM 0 H ILE A 23 -0.662 -3.203 -0.615 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.763 -5.883 0.571 1.00 0.00 H new ATOM 0 HB ILE A 23 1.726 -5.822 0.724 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.428 -3.215 -0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.027 -3.397 0.826 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.278 -6.129 -1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.752 -6.931 -1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.722 -5.393 -2.100 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.866 -3.062 -0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.961 -4.679 -0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.352 -4.494 -1.672 1.00 0.00 H new ATOM 349 N ASP A 24 0.141 -5.079 2.851 1.00 0.00 N ATOM 350 CA ASP A 24 0.326 -4.611 4.221 1.00 0.00 C ATOM 351 C ASP A 24 1.655 -5.173 4.719 1.00 0.00 C ATOM 352 O ASP A 24 1.865 -6.386 4.661 1.00 0.00 O ATOM 353 CB ASP A 24 -0.813 -5.095 5.123 1.00 0.00 C ATOM 354 CG ASP A 24 -1.055 -6.585 4.999 1.00 0.00 C ATOM 355 OD1 ASP A 24 -1.510 -7.026 3.924 1.00 0.00 O ATOM 356 OD2 ASP A 24 -0.787 -7.313 5.979 1.00 0.00 O ATOM 0 H ASP A 24 0.233 -6.089 2.747 1.00 0.00 H new ATOM 0 HA ASP A 24 0.326 -3.521 4.246 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.580 -4.853 6.160 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.727 -4.559 4.868 1.00 0.00 H new ATOM 361 N PHE A 25 2.571 -4.321 5.168 1.00 0.00 N ATOM 362 CA PHE A 25 3.872 -4.817 5.611 1.00 0.00 C ATOM 363 C PHE A 25 4.411 -4.089 6.834 1.00 0.00 C ATOM 364 O PHE A 25 3.887 -3.059 7.251 1.00 0.00 O ATOM 365 CB PHE A 25 4.883 -4.710 4.469 1.00 0.00 C ATOM 366 CG PHE A 25 5.268 -3.298 4.120 1.00 0.00 C ATOM 367 CD1 PHE A 25 6.076 -2.555 4.967 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.802 -2.707 2.957 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.413 -1.249 4.658 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.133 -1.403 2.649 1.00 0.00 C ATOM 371 CZ PHE A 25 5.936 -0.675 3.498 1.00 0.00 C ATOM 0 H PHE A 25 2.445 -3.311 5.235 1.00 0.00 H new ATOM 0 HA PHE A 25 3.725 -5.858 5.900 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.782 -5.264 4.741 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.467 -5.191 3.584 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.447 -3.001 5.878 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.174 -3.272 2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.047 -0.681 5.323 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.761 -0.953 1.740 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.192 0.346 3.256 1.00 0.00 H new ATOM 381 N THR A 26 5.475 -4.656 7.396 1.00 0.00 N ATOM 382 CA THR A 26 6.127 -4.097 8.576 1.00 0.00 C ATOM 383 C THR A 26 7.624 -4.408 8.556 1.00 0.00 C ATOM 384 O THR A 26 8.020 -5.572 8.593 1.00 0.00 O ATOM 385 CB THR A 26 5.491 -4.669 9.844 1.00 0.00 C ATOM 386 OG1 THR A 26 4.113 -4.347 9.904 1.00 0.00 O ATOM 387 CG2 THR A 26 6.137 -4.173 11.120 1.00 0.00 C ATOM 0 H THR A 26 5.908 -5.512 7.048 1.00 0.00 H new ATOM 0 HA THR A 26 5.996 -3.015 8.568 1.00 0.00 H new ATOM 0 HB THR A 26 5.642 -5.746 9.779 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.724 -4.723 10.721 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.636 -4.619 11.979 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.190 -4.454 11.128 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.051 -3.088 11.173 1.00 0.00 H new ATOM 395 N GLY A 27 8.453 -3.367 8.495 1.00 0.00 N ATOM 396 CA GLY A 27 9.893 -3.576 8.466 1.00 0.00 C ATOM 397 C GLY A 27 10.690 -2.358 8.892 1.00 0.00 C ATOM 398 O GLY A 27 10.141 -1.275 9.076 1.00 0.00 O ATOM 0 H GLY A 27 8.157 -2.391 8.465 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.144 -4.411 9.120 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.191 -3.860 7.457 1.00 0.00 H new ATOM 402 N SER A 28 11.994 -2.550 9.057 1.00 0.00 N ATOM 403 CA SER A 28 12.892 -1.475 9.474 1.00 0.00 C ATOM 404 C SER A 28 13.829 -1.054 8.343 1.00 0.00 C ATOM 405 O SER A 28 13.828 -1.646 7.264 1.00 0.00 O ATOM 406 CB SER A 28 13.724 -1.927 10.679 1.00 0.00 C ATOM 407 OG SER A 28 13.409 -3.260 11.048 1.00 0.00 O ATOM 0 H SER A 28 12.457 -3.446 8.907 1.00 0.00 H new ATOM 0 HA SER A 28 12.277 -0.617 9.746 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.785 -1.854 10.440 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.541 -1.260 11.522 1.00 0.00 H new ATOM 0 HG SER A 28 13.955 -3.524 11.818 1.00 0.00 H new ATOM 413 N VAL A 29 14.641 -0.036 8.616 1.00 0.00 N ATOM 414 CA VAL A 29 15.605 0.465 7.650 1.00 0.00 C ATOM 415 C VAL A 29 17.034 0.296 8.171 1.00 0.00 C ATOM 416 O VAL A 29 17.751 -0.602 7.731 1.00 0.00 O ATOM 417 CB VAL A 29 15.309 1.938 7.252 1.00 0.00 C ATOM 418 CG1 VAL A 29 15.039 2.812 8.470 1.00 0.00 C ATOM 419 CG2 VAL A 29 16.431 2.523 6.401 1.00 0.00 C ATOM 0 H VAL A 29 14.647 0.459 9.508 1.00 0.00 H new ATOM 0 HA VAL A 29 15.508 -0.132 6.743 1.00 0.00 H new ATOM 0 HB VAL A 29 14.401 1.926 6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 29 14.837 3.833 8.147 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.176 2.425 9.011 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.911 2.804 9.124 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.191 3.554 6.141 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.365 2.499 6.963 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.541 1.935 5.490 1.00 0.00 H new ATOM 429 N ASP A 30 17.444 1.134 9.117 1.00 0.00 N ATOM 430 CA ASP A 30 18.780 1.030 9.689 1.00 0.00 C ATOM 431 C ASP A 30 18.732 0.220 10.980 1.00 0.00 C ATOM 432 O ASP A 30 19.412 0.541 11.954 1.00 0.00 O ATOM 433 CB ASP A 30 19.361 2.417 9.960 1.00 0.00 C ATOM 434 CG ASP A 30 20.857 2.469 9.724 1.00 0.00 C ATOM 435 OD1 ASP A 30 21.595 1.761 10.443 1.00 0.00 O ATOM 436 OD2 ASP A 30 21.292 3.213 8.821 1.00 0.00 O ATOM 0 H ASP A 30 16.874 1.888 9.501 1.00 0.00 H new ATOM 0 HA ASP A 30 19.425 0.522 8.972 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.868 3.147 9.318 1.00 0.00 H new ATOM 0 HB3 ASP A 30 19.148 2.703 10.990 1.00 0.00 H new ATOM 441 N GLY A 31 17.905 -0.822 10.986 1.00 0.00 N ATOM 442 CA GLY A 31 17.761 -1.650 12.166 1.00 0.00 C ATOM 443 C GLY A 31 16.564 -1.241 13.004 1.00 0.00 C ATOM 444 O GLY A 31 16.139 -1.978 13.894 1.00 0.00 O ATOM 0 H GLY A 31 17.332 -1.106 10.192 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.655 -2.693 11.867 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.666 -1.582 12.769 1.00 0.00 H new ATOM 448 N GLU A 32 16.018 -0.060 12.715 1.00 0.00 N ATOM 449 CA GLU A 32 14.859 0.451 13.439 1.00 0.00 C ATOM 450 C GLU A 32 13.801 0.963 12.468 1.00 0.00 C ATOM 451 O GLU A 32 14.068 1.834 11.642 1.00 0.00 O ATOM 452 CB GLU A 32 15.281 1.564 14.398 1.00 0.00 C ATOM 453 CG GLU A 32 16.421 1.170 15.323 1.00 0.00 C ATOM 454 CD GLU A 32 15.931 0.652 16.662 1.00 0.00 C ATOM 455 OE1 GLU A 32 15.452 -0.501 16.714 1.00 0.00 O ATOM 456 OE2 GLU A 32 16.028 1.399 17.659 1.00 0.00 O ATOM 0 H GLU A 32 16.362 0.561 11.982 1.00 0.00 H new ATOM 0 HA GLU A 32 14.428 -0.366 14.018 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.580 2.438 13.819 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.421 1.859 15.000 1.00 0.00 H new ATOM 0 HG2 GLU A 32 17.027 0.403 14.841 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.067 2.033 15.485 1.00 0.00 H new ATOM 463 N GLU A 33 12.600 0.403 12.569 1.00 0.00 N ATOM 464 CA GLU A 33 11.496 0.778 11.706 1.00 0.00 C ATOM 465 C GLU A 33 11.208 2.262 11.805 1.00 0.00 C ATOM 466 O GLU A 33 10.915 2.782 12.881 1.00 0.00 O ATOM 467 CB GLU A 33 10.246 -0.027 12.063 1.00 0.00 C ATOM 468 CG GLU A 33 9.945 -0.056 13.552 1.00 0.00 C ATOM 469 CD GLU A 33 8.535 0.402 13.870 1.00 0.00 C ATOM 470 OE1 GLU A 33 8.285 1.626 13.831 1.00 0.00 O ATOM 471 OE2 GLU A 33 7.678 -0.463 14.155 1.00 0.00 O ATOM 0 H GLU A 33 12.369 -0.320 13.250 1.00 0.00 H new ATOM 0 HA GLU A 33 11.780 0.554 10.678 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.390 0.395 11.536 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.368 -1.049 11.706 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.088 -1.069 13.928 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.657 0.582 14.076 1.00 0.00 H new ATOM 478 N PHE A 34 11.320 2.938 10.676 1.00 0.00 N ATOM 479 CA PHE A 34 11.104 4.382 10.594 1.00 0.00 C ATOM 480 C PHE A 34 9.623 4.737 10.463 1.00 0.00 C ATOM 481 O PHE A 34 8.775 4.164 11.149 1.00 0.00 O ATOM 482 CB PHE A 34 11.934 4.947 9.418 1.00 0.00 C ATOM 483 CG PHE A 34 11.452 4.561 8.033 1.00 0.00 C ATOM 484 CD1 PHE A 34 11.406 3.233 7.628 1.00 0.00 C ATOM 485 CD2 PHE A 34 11.055 5.539 7.131 1.00 0.00 C ATOM 486 CE1 PHE A 34 10.971 2.894 6.359 1.00 0.00 C ATOM 487 CE2 PHE A 34 10.620 5.203 5.863 1.00 0.00 C ATOM 488 CZ PHE A 34 10.578 3.880 5.477 1.00 0.00 C ATOM 0 H PHE A 34 11.564 2.506 9.785 1.00 0.00 H new ATOM 0 HA PHE A 34 11.439 4.841 11.524 1.00 0.00 H new ATOM 0 HB2 PHE A 34 11.941 6.035 9.491 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.965 4.613 9.531 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.713 2.456 8.312 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.087 6.578 7.425 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.939 1.857 6.059 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.313 5.977 5.175 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.238 3.616 4.486 1.00 0.00 H new ATOM 498 N GLU A 35 9.321 5.662 9.572 1.00 0.00 N ATOM 499 CA GLU A 35 7.948 6.086 9.319 1.00 0.00 C ATOM 500 C GLU A 35 7.158 4.985 8.616 1.00 0.00 C ATOM 501 O GLU A 35 6.087 4.585 9.070 1.00 0.00 O ATOM 502 CB GLU A 35 7.937 7.351 8.458 1.00 0.00 C ATOM 503 CG GLU A 35 8.423 8.594 9.184 1.00 0.00 C ATOM 504 CD GLU A 35 7.437 9.744 9.096 1.00 0.00 C ATOM 505 OE1 GLU A 35 6.227 9.504 9.285 1.00 0.00 O ATOM 506 OE2 GLU A 35 7.876 10.883 8.834 1.00 0.00 O ATOM 0 H GLU A 35 10.016 6.143 9.001 1.00 0.00 H new ATOM 0 HA GLU A 35 7.477 6.295 10.280 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.562 7.187 7.580 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.923 7.525 8.099 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.601 8.352 10.232 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.378 8.906 8.762 1.00 0.00 H new ATOM 513 N GLY A 36 7.702 4.506 7.496 1.00 0.00 N ATOM 514 CA GLY A 36 7.046 3.458 6.732 1.00 0.00 C ATOM 515 C GLY A 36 7.292 2.074 7.296 1.00 0.00 C ATOM 516 O GLY A 36 6.993 1.075 6.644 1.00 0.00 O ATOM 0 H GLY A 36 8.588 4.827 7.105 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.973 3.650 6.709 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.398 3.492 5.701 1.00 0.00 H new ATOM 520 N GLY A 37 7.833 2.009 8.507 1.00 0.00 N ATOM 521 CA GLY A 37 8.104 0.731 9.127 1.00 0.00 C ATOM 522 C GLY A 37 6.868 -0.142 9.261 1.00 0.00 C ATOM 523 O GLY A 37 6.974 -1.323 9.588 1.00 0.00 O ATOM 0 H GLY A 37 8.088 2.821 9.069 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.854 0.201 8.540 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.533 0.897 10.115 1.00 0.00 H new ATOM 527 N LYS A 38 5.695 0.429 8.998 1.00 0.00 N ATOM 528 CA LYS A 38 4.453 -0.324 9.084 1.00 0.00 C ATOM 529 C LYS A 38 3.420 0.204 8.097 1.00 0.00 C ATOM 530 O LYS A 38 3.049 1.377 8.130 1.00 0.00 O ATOM 531 CB LYS A 38 3.893 -0.275 10.507 1.00 0.00 C ATOM 532 CG LYS A 38 3.574 -1.650 11.070 1.00 0.00 C ATOM 533 CD LYS A 38 3.345 -1.600 12.572 1.00 0.00 C ATOM 534 CE LYS A 38 4.618 -1.228 13.318 1.00 0.00 C ATOM 535 NZ LYS A 38 5.116 -2.353 14.158 1.00 0.00 N ATOM 0 H LYS A 38 5.582 1.405 8.725 1.00 0.00 H new ATOM 0 HA LYS A 38 4.673 -1.360 8.826 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.614 0.219 11.158 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.988 0.333 10.514 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.686 -2.048 10.579 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.394 -2.334 10.849 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.564 -0.874 12.798 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.989 -2.570 12.919 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.388 -0.940 12.602 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.429 -0.359 13.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.103 -2.172 14.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.529 -2.434 15.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.064 -3.240 13.617 1.00 0.00 H new ATOM 549 N ALA A 39 2.951 -0.682 7.227 1.00 0.00 N ATOM 550 CA ALA A 39 1.952 -0.330 6.231 1.00 0.00 C ATOM 551 C ALA A 39 0.853 -1.382 6.193 1.00 0.00 C ATOM 552 O ALA A 39 1.113 -2.572 6.362 1.00 0.00 O ATOM 553 CB ALA A 39 2.588 -0.179 4.856 1.00 0.00 C ATOM 0 H ALA A 39 3.251 -1.656 7.193 1.00 0.00 H new ATOM 0 HA ALA A 39 1.513 0.628 6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.821 0.084 4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.343 0.607 4.889 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.056 -1.120 4.566 1.00 0.00 H new ATOM 559 N SER A 40 -0.374 -0.935 5.979 1.00 0.00 N ATOM 560 CA SER A 40 -1.513 -1.843 5.927 1.00 0.00 C ATOM 561 C SER A 40 -2.111 -1.882 4.531 1.00 0.00 C ATOM 562 O SER A 40 -2.107 -2.919 3.870 1.00 0.00 O ATOM 563 CB SER A 40 -2.579 -1.415 6.937 1.00 0.00 C ATOM 564 OG SER A 40 -3.417 -2.503 7.286 1.00 0.00 O ATOM 0 H SER A 40 -0.608 0.048 5.839 1.00 0.00 H new ATOM 0 HA SER A 40 -1.161 -2.843 6.181 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.099 -1.020 7.832 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.180 -0.609 6.516 1.00 0.00 H new ATOM 0 HG SER A 40 -4.089 -2.204 7.934 1.00 0.00 H new ATOM 570 N ASP A 41 -2.573 -0.738 4.060 1.00 0.00 N ATOM 571 CA ASP A 41 -3.112 -0.613 2.724 1.00 0.00 C ATOM 572 C ASP A 41 -2.073 0.055 1.845 1.00 0.00 C ATOM 573 O ASP A 41 -2.242 1.207 1.443 1.00 0.00 O ATOM 574 CB ASP A 41 -4.407 0.203 2.735 1.00 0.00 C ATOM 575 CG ASP A 41 -4.269 1.495 3.516 1.00 0.00 C ATOM 576 OD1 ASP A 41 -3.127 1.976 3.675 1.00 0.00 O ATOM 577 OD2 ASP A 41 -5.305 2.028 3.969 1.00 0.00 O ATOM 0 H ASP A 41 -2.584 0.130 4.596 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.348 -1.602 2.332 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.699 0.431 1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.207 -0.397 3.168 1.00 0.00 H new ATOM 582 N PHE A 42 -1.007 -0.655 1.535 1.00 0.00 N ATOM 583 CA PHE A 42 0.036 -0.094 0.688 1.00 0.00 C ATOM 584 C PHE A 42 -0.254 -0.422 -0.763 1.00 0.00 C ATOM 585 O PHE A 42 -0.096 -1.561 -1.199 1.00 0.00 O ATOM 586 CB PHE A 42 1.426 -0.611 1.076 1.00 0.00 C ATOM 587 CG PHE A 42 2.542 0.036 0.294 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.486 1.384 -0.026 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.642 -0.700 -0.125 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.502 1.985 -0.746 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.660 -0.102 -0.846 1.00 0.00 C ATOM 592 CZ PHE A 42 4.588 1.241 -1.156 1.00 0.00 C ATOM 0 H PHE A 42 -0.837 -1.610 1.850 1.00 0.00 H new ATOM 0 HA PHE A 42 0.037 0.987 0.829 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.588 -0.436 2.140 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.461 -1.689 0.922 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.638 1.972 0.291 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.704 -1.751 0.115 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.445 3.036 -0.987 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.510 -0.686 -1.166 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.382 1.709 -1.719 1.00 0.00 H new ATOM 602 N VAL A 43 -0.684 0.584 -1.507 1.00 0.00 N ATOM 603 CA VAL A 43 -1.004 0.408 -2.907 1.00 0.00 C ATOM 604 C VAL A 43 0.265 0.420 -3.753 1.00 0.00 C ATOM 605 O VAL A 43 0.799 1.478 -4.083 1.00 0.00 O ATOM 606 CB VAL A 43 -1.971 1.506 -3.379 1.00 0.00 C ATOM 607 CG1 VAL A 43 -1.289 2.868 -3.390 1.00 0.00 C ATOM 608 CG2 VAL A 43 -2.543 1.164 -4.744 1.00 0.00 C ATOM 0 H VAL A 43 -0.819 1.533 -1.159 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.491 -0.560 -3.028 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.798 1.559 -2.671 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.996 3.626 -3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.948 3.112 -2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.434 2.842 -4.066 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.225 1.953 -5.061 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.732 1.074 -5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.083 0.219 -4.686 1.00 0.00 H new ATOM 618 N LEU A 44 0.754 -0.765 -4.087 1.00 0.00 N ATOM 619 CA LEU A 44 1.968 -0.880 -4.879 1.00 0.00 C ATOM 620 C LEU A 44 1.654 -0.930 -6.367 1.00 0.00 C ATOM 621 O LEU A 44 0.805 -1.702 -6.805 1.00 0.00 O ATOM 622 CB LEU A 44 2.755 -2.119 -4.464 1.00 0.00 C ATOM 623 CG LEU A 44 4.221 -1.862 -4.120 1.00 0.00 C ATOM 624 CD1 LEU A 44 4.982 -3.169 -4.064 1.00 0.00 C ATOM 625 CD2 LEU A 44 4.862 -0.923 -5.135 1.00 0.00 C ATOM 0 H LEU A 44 0.331 -1.655 -3.824 1.00 0.00 H new ATOM 0 HA LEU A 44 2.575 0.006 -4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.267 -2.569 -3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.709 -2.849 -5.272 1.00 0.00 H new ATOM 0 HG LEU A 44 4.263 -1.385 -3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.025 -2.972 -3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.544 -3.812 -3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.925 -3.665 -5.033 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.905 -0.756 -4.868 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.809 -1.369 -6.128 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.331 0.029 -5.136 1.00 0.00 H new ATOM 637 N ALA A 45 2.356 -0.102 -7.135 1.00 0.00 N ATOM 638 CA ALA A 45 2.166 -0.040 -8.581 1.00 0.00 C ATOM 639 C ALA A 45 3.180 -0.915 -9.310 1.00 0.00 C ATOM 640 O ALA A 45 4.352 -0.557 -9.426 1.00 0.00 O ATOM 641 CB ALA A 45 2.282 1.399 -9.060 1.00 0.00 C ATOM 0 H ALA A 45 3.065 0.538 -6.778 1.00 0.00 H new ATOM 0 HA ALA A 45 1.169 -0.417 -8.807 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.139 1.436 -10.140 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.520 2.007 -8.572 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.270 1.787 -8.812 1.00 0.00 H new ATOM 647 N MET A 46 2.727 -2.063 -9.805 1.00 0.00 N ATOM 648 CA MET A 46 3.601 -2.981 -10.521 1.00 0.00 C ATOM 649 C MET A 46 4.009 -2.416 -11.877 1.00 0.00 C ATOM 650 O MET A 46 3.416 -2.748 -12.903 1.00 0.00 O ATOM 651 CB MET A 46 2.917 -4.334 -10.698 1.00 0.00 C ATOM 652 CG MET A 46 3.597 -5.445 -9.922 1.00 0.00 C ATOM 653 SD MET A 46 4.523 -6.570 -10.986 1.00 0.00 S ATOM 654 CE MET A 46 5.762 -5.465 -11.658 1.00 0.00 C ATOM 0 H MET A 46 1.760 -2.378 -9.723 1.00 0.00 H new ATOM 0 HA MET A 46 4.505 -3.114 -9.927 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.879 -4.255 -10.376 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.903 -4.593 -11.757 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.272 -5.008 -9.186 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.846 -6.009 -9.369 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.610 -6.046 -12.020 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.333 -4.896 -12.483 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.098 -4.779 -10.880 1.00 0.00 H new ATOM 664 N GLY A 47 5.034 -1.571 -11.863 1.00 0.00 N ATOM 665 CA GLY A 47 5.528 -0.971 -13.090 1.00 0.00 C ATOM 666 C GLY A 47 5.022 0.442 -13.306 1.00 0.00 C ATOM 667 O GLY A 47 4.270 0.703 -14.245 1.00 0.00 O ATOM 0 H GLY A 47 5.534 -1.289 -11.020 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.618 -0.961 -13.070 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.230 -1.591 -13.936 1.00 0.00 H new ATOM 671 N GLN A 48 5.442 1.356 -12.439 1.00 0.00 N ATOM 672 CA GLN A 48 5.035 2.753 -12.543 1.00 0.00 C ATOM 673 C GLN A 48 6.256 3.660 -12.665 1.00 0.00 C ATOM 674 O GLN A 48 6.477 4.284 -13.703 1.00 0.00 O ATOM 675 CB GLN A 48 4.199 3.154 -11.325 1.00 0.00 C ATOM 676 CG GLN A 48 2.900 3.856 -11.685 1.00 0.00 C ATOM 677 CD GLN A 48 3.129 5.199 -12.349 1.00 0.00 C ATOM 678 OE1 GLN A 48 3.432 6.190 -11.683 1.00 0.00 O ATOM 679 NE2 GLN A 48 2.983 5.241 -13.669 1.00 0.00 N ATOM 0 H GLN A 48 6.064 1.155 -11.656 1.00 0.00 H new ATOM 0 HA GLN A 48 4.427 2.868 -13.440 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.971 2.262 -10.741 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.792 3.809 -10.687 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.320 3.219 -12.352 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.305 3.998 -10.783 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.731 4.396 -14.181 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.123 6.118 -14.170 1.00 0.00 H new ATOM 688 N GLY A 49 7.049 3.719 -11.601 1.00 0.00 N ATOM 689 CA GLY A 49 8.244 4.540 -11.609 1.00 0.00 C ATOM 690 C GLY A 49 9.492 3.726 -11.875 1.00 0.00 C ATOM 691 O GLY A 49 10.240 4.003 -12.811 1.00 0.00 O ATOM 0 H GLY A 49 6.885 3.212 -10.732 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.147 5.313 -12.371 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.341 5.048 -10.650 1.00 0.00 H new ATOM 695 N ARG A 50 9.707 2.709 -11.047 1.00 0.00 N ATOM 696 CA ARG A 50 10.863 1.835 -11.183 1.00 0.00 C ATOM 697 C ARG A 50 10.852 0.770 -10.092 1.00 0.00 C ATOM 698 O ARG A 50 11.715 0.754 -9.213 1.00 0.00 O ATOM 699 CB ARG A 50 12.162 2.643 -11.116 1.00 0.00 C ATOM 700 CG ARG A 50 12.386 3.330 -9.778 1.00 0.00 C ATOM 701 CD ARG A 50 13.724 2.941 -9.171 1.00 0.00 C ATOM 702 NE ARG A 50 14.810 3.046 -10.142 1.00 0.00 N ATOM 703 CZ ARG A 50 15.729 2.101 -10.346 1.00 0.00 C ATOM 704 NH1 ARG A 50 15.722 0.983 -9.631 1.00 0.00 N ATOM 705 NH2 ARG A 50 16.664 2.281 -11.268 1.00 0.00 N ATOM 0 H ARG A 50 9.090 2.470 -10.270 1.00 0.00 H new ATOM 0 HA ARG A 50 10.810 1.345 -12.155 1.00 0.00 H new ATOM 0 HB2 ARG A 50 13.003 1.980 -11.319 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.152 3.396 -11.904 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.346 4.411 -9.911 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.582 3.064 -9.092 1.00 0.00 H new ATOM 0 HD2 ARG A 50 13.936 3.584 -8.317 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.670 1.919 -8.795 1.00 0.00 H new ATOM 0 HE ARG A 50 14.870 3.897 -10.700 1.00 0.00 H new ATOM 0 HH11 ARG A 50 15.009 0.839 -8.916 1.00 0.00 H new ATOM 0 HH12 ARG A 50 16.430 0.268 -9.796 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.679 3.140 -11.818 1.00 0.00 H new ATOM 0 HH22 ARG A 50 17.369 1.561 -11.427 1.00 0.00 H new ATOM 719 N MET A 51 9.861 -0.118 -10.152 1.00 0.00 N ATOM 720 CA MET A 51 9.725 -1.188 -9.168 1.00 0.00 C ATOM 721 C MET A 51 11.067 -1.852 -8.883 1.00 0.00 C ATOM 722 O MET A 51 11.643 -2.512 -9.749 1.00 0.00 O ATOM 723 CB MET A 51 8.719 -2.234 -9.654 1.00 0.00 C ATOM 724 CG MET A 51 8.085 -3.036 -8.530 1.00 0.00 C ATOM 725 SD MET A 51 6.406 -2.500 -8.155 1.00 0.00 S ATOM 726 CE MET A 51 6.664 -0.750 -7.874 1.00 0.00 C ATOM 0 H MET A 51 9.140 -0.117 -10.873 1.00 0.00 H new ATOM 0 HA MET A 51 9.361 -0.743 -8.242 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.933 -1.734 -10.221 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.221 -2.918 -10.339 1.00 0.00 H new ATOM 0 HG2 MET A 51 8.073 -4.091 -8.804 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.699 -2.947 -7.634 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.727 -0.290 -7.561 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.414 -0.613 -7.095 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.009 -0.281 -8.795 1.00 0.00 H new ATOM 736 N ILE A 52 11.555 -1.675 -7.663 1.00 0.00 N ATOM 737 CA ILE A 52 12.830 -2.260 -7.258 1.00 0.00 C ATOM 738 C ILE A 52 12.722 -3.779 -7.170 1.00 0.00 C ATOM 739 O ILE A 52 11.620 -4.325 -7.103 1.00 0.00 O ATOM 740 CB ILE A 52 13.327 -1.714 -5.894 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.157 -1.318 -4.988 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.256 -0.528 -6.108 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.576 -0.969 -3.576 1.00 0.00 C ATOM 0 H ILE A 52 11.090 -1.132 -6.936 1.00 0.00 H new ATOM 0 HA ILE A 52 13.553 -1.978 -8.023 1.00 0.00 H new ATOM 0 HB ILE A 52 13.878 -2.512 -5.396 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.641 -0.464 -5.427 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.441 -2.139 -4.953 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.597 -0.154 -5.143 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.116 -0.841 -6.701 1.00 0.00 H new ATOM 0 HG23 ILE A 52 13.721 0.263 -6.634 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.696 -0.699 -2.992 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.065 -1.829 -3.119 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.269 -0.128 -3.599 1.00 0.00 H new ATOM 755 N PRO A 53 13.864 -4.485 -7.163 1.00 0.00 N ATOM 756 CA PRO A 53 13.881 -5.947 -7.075 1.00 0.00 C ATOM 757 C PRO A 53 13.235 -6.445 -5.789 1.00 0.00 C ATOM 758 O PRO A 53 12.869 -7.614 -5.676 1.00 0.00 O ATOM 759 CB PRO A 53 15.373 -6.299 -7.099 1.00 0.00 C ATOM 760 CG PRO A 53 16.074 -5.043 -6.708 1.00 0.00 C ATOM 761 CD PRO A 53 15.224 -3.921 -7.227 1.00 0.00 C ATOM 0 HA PRO A 53 13.316 -6.411 -7.883 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.598 -7.109 -6.405 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.684 -6.632 -8.089 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.187 -4.979 -5.626 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.076 -5.005 -7.136 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.319 -3.025 -6.614 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.499 -3.642 -8.244 1.00 0.00 H new ATOM 769 N GLY A 54 13.099 -5.547 -4.817 1.00 0.00 N ATOM 770 CA GLY A 54 12.499 -5.907 -3.551 1.00 0.00 C ATOM 771 C GLY A 54 11.002 -6.108 -3.652 1.00 0.00 C ATOM 772 O GLY A 54 10.489 -7.193 -3.365 1.00 0.00 O ATOM 0 H GLY A 54 13.396 -4.574 -4.888 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.961 -6.823 -3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.708 -5.127 -2.819 1.00 0.00 H new ATOM 776 N PHE A 55 10.296 -5.062 -4.065 1.00 0.00 N ATOM 777 CA PHE A 55 8.855 -5.124 -4.204 1.00 0.00 C ATOM 778 C PHE A 55 8.458 -5.990 -5.392 1.00 0.00 C ATOM 779 O PHE A 55 7.618 -6.882 -5.271 1.00 0.00 O ATOM 780 CB PHE A 55 8.276 -3.721 -4.389 1.00 0.00 C ATOM 781 CG PHE A 55 8.173 -2.906 -3.125 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.316 -3.277 -2.096 1.00 0.00 C ATOM 783 CD2 PHE A 55 8.928 -1.755 -2.977 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.218 -2.515 -0.952 1.00 0.00 C ATOM 785 CE2 PHE A 55 8.834 -0.989 -1.831 1.00 0.00 C ATOM 786 CZ PHE A 55 7.976 -1.371 -0.817 1.00 0.00 C ATOM 0 H PHE A 55 10.704 -4.160 -4.309 1.00 0.00 H new ATOM 0 HA PHE A 55 8.453 -5.567 -3.293 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.895 -3.179 -5.104 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.283 -3.809 -4.830 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.720 -4.172 -2.194 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.599 -1.452 -3.767 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.547 -2.814 -0.160 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.429 -0.094 -1.728 1.00 0.00 H new ATOM 0 HZ PHE A 55 7.899 -0.774 0.080 1.00 0.00 H new ATOM 796 N GLU A 56 9.068 -5.719 -6.541 1.00 0.00 N ATOM 797 CA GLU A 56 8.781 -6.472 -7.758 1.00 0.00 C ATOM 798 C GLU A 56 8.857 -7.976 -7.504 1.00 0.00 C ATOM 799 O GLU A 56 8.265 -8.769 -8.238 1.00 0.00 O ATOM 800 CB GLU A 56 9.760 -6.076 -8.867 1.00 0.00 C ATOM 801 CG GLU A 56 9.312 -6.502 -10.257 1.00 0.00 C ATOM 802 CD GLU A 56 10.480 -6.757 -11.192 1.00 0.00 C ATOM 803 OE1 GLU A 56 11.435 -7.446 -10.776 1.00 0.00 O ATOM 804 OE2 GLU A 56 10.439 -6.269 -12.340 1.00 0.00 O ATOM 0 H GLU A 56 9.765 -4.983 -6.656 1.00 0.00 H new ATOM 0 HA GLU A 56 7.766 -6.231 -8.074 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.893 -4.994 -8.853 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.733 -6.520 -8.656 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.709 -7.407 -10.179 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.673 -5.728 -10.682 1.00 0.00 H new ATOM 811 N ASP A 57 9.590 -8.367 -6.463 1.00 0.00 N ATOM 812 CA ASP A 57 9.741 -9.774 -6.123 1.00 0.00 C ATOM 813 C ASP A 57 8.523 -10.305 -5.364 1.00 0.00 C ATOM 814 O ASP A 57 7.705 -11.027 -5.930 1.00 0.00 O ATOM 815 CB ASP A 57 11.010 -9.993 -5.296 1.00 0.00 C ATOM 816 CG ASP A 57 11.325 -11.463 -5.099 1.00 0.00 C ATOM 817 OD1 ASP A 57 10.424 -12.209 -4.666 1.00 0.00 O ATOM 818 OD2 ASP A 57 12.473 -11.865 -5.383 1.00 0.00 O ATOM 0 H ASP A 57 10.087 -7.727 -5.843 1.00 0.00 H new ATOM 0 HA ASP A 57 9.823 -10.329 -7.058 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.851 -9.507 -5.791 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.893 -9.516 -4.323 1.00 0.00 H new ATOM 823 N GLY A 58 8.413 -9.965 -4.081 1.00 0.00 N ATOM 824 CA GLY A 58 7.298 -10.451 -3.284 1.00 0.00 C ATOM 825 C GLY A 58 5.968 -9.929 -3.774 1.00 0.00 C ATOM 826 O GLY A 58 5.036 -10.697 -4.016 1.00 0.00 O ATOM 0 H GLY A 58 9.071 -9.366 -3.582 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.288 -11.541 -3.306 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.441 -10.154 -2.245 1.00 0.00 H new ATOM 830 N ILE A 59 5.885 -8.618 -3.916 1.00 0.00 N ATOM 831 CA ILE A 59 4.688 -7.950 -4.370 1.00 0.00 C ATOM 832 C ILE A 59 4.577 -7.995 -5.885 1.00 0.00 C ATOM 833 O ILE A 59 4.088 -7.063 -6.522 1.00 0.00 O ATOM 834 CB ILE A 59 4.702 -6.494 -3.883 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.119 -6.430 -2.410 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.342 -5.856 -4.080 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.607 -6.534 -2.176 1.00 0.00 C ATOM 0 H ILE A 59 6.658 -7.984 -3.716 1.00 0.00 H new ATOM 0 HA ILE A 59 3.822 -8.466 -3.956 1.00 0.00 H new ATOM 0 HB ILE A 59 5.430 -5.937 -4.473 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.762 -5.492 -1.985 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.622 -7.235 -1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.370 -4.824 -3.729 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.082 -5.873 -5.138 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.594 -6.411 -3.514 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.812 -6.480 -1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.971 -7.484 -2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.114 -5.714 -2.685 1.00 0.00 H new ATOM 849 N LYS A 60 4.981 -9.130 -6.430 1.00 0.00 N ATOM 850 CA LYS A 60 4.863 -9.344 -7.864 1.00 0.00 C ATOM 851 C LYS A 60 3.416 -9.015 -8.225 1.00 0.00 C ATOM 852 O LYS A 60 3.134 -8.259 -9.151 1.00 0.00 O ATOM 853 CB LYS A 60 5.228 -10.780 -8.270 1.00 0.00 C ATOM 854 CG LYS A 60 4.726 -11.858 -7.321 1.00 0.00 C ATOM 855 CD LYS A 60 5.732 -12.992 -7.197 1.00 0.00 C ATOM 856 CE LYS A 60 5.775 -13.845 -8.456 1.00 0.00 C ATOM 857 NZ LYS A 60 6.554 -15.097 -8.252 1.00 0.00 N ATOM 0 H LYS A 60 5.388 -9.908 -5.911 1.00 0.00 H new ATOM 0 HA LYS A 60 5.563 -8.707 -8.404 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.826 -10.975 -9.264 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.313 -10.857 -8.344 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.540 -11.424 -6.339 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.775 -12.250 -7.681 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.722 -12.580 -7.002 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.473 -13.617 -6.342 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.759 -14.095 -8.760 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.218 -13.270 -9.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.335 -15.136 -8.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.940 -15.112 -7.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.932 -15.919 -8.389 1.00 0.00 H new ATOM 871 N GLY A 61 2.513 -9.631 -7.473 1.00 0.00 N ATOM 872 CA GLY A 61 1.095 -9.464 -7.679 1.00 0.00 C ATOM 873 C GLY A 61 0.498 -10.731 -8.228 1.00 0.00 C ATOM 874 O GLY A 61 -0.230 -10.726 -9.220 1.00 0.00 O ATOM 0 H GLY A 61 2.751 -10.259 -6.705 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.611 -9.203 -6.738 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.915 -8.640 -8.369 1.00 0.00 H new ATOM 878 N HIS A 62 0.844 -11.833 -7.578 1.00 0.00 N ATOM 879 CA HIS A 62 0.371 -13.148 -8.011 1.00 0.00 C ATOM 880 C HIS A 62 -0.362 -13.913 -6.908 1.00 0.00 C ATOM 881 O HIS A 62 -1.002 -14.928 -7.180 1.00 0.00 O ATOM 882 CB HIS A 62 1.549 -13.985 -8.523 1.00 0.00 C ATOM 883 CG HIS A 62 2.474 -14.457 -7.440 1.00 0.00 C ATOM 884 ND1 HIS A 62 3.334 -15.525 -7.596 1.00 0.00 N ATOM 885 CD2 HIS A 62 2.672 -14.002 -6.177 1.00 0.00 C ATOM 886 CE1 HIS A 62 4.019 -15.709 -6.483 1.00 0.00 C ATOM 887 NE2 HIS A 62 3.636 -14.797 -5.607 1.00 0.00 N ATOM 0 H HIS A 62 1.446 -11.848 -6.755 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.347 -12.975 -8.812 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.161 -14.851 -9.059 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.117 -13.394 -9.241 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.166 -13.171 -5.708 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.764 -16.473 -6.317 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.998 -14.699 -4.659 1.00 0.00 H new ATOM 895 N LYS A 63 -0.267 -13.442 -5.670 1.00 0.00 N ATOM 896 CA LYS A 63 -0.929 -14.122 -4.560 1.00 0.00 C ATOM 897 C LYS A 63 -1.810 -13.169 -3.760 1.00 0.00 C ATOM 898 O LYS A 63 -1.379 -12.600 -2.756 1.00 0.00 O ATOM 899 CB LYS A 63 0.103 -14.770 -3.641 1.00 0.00 C ATOM 900 CG LYS A 63 0.705 -16.045 -4.205 1.00 0.00 C ATOM 901 CD LYS A 63 -0.285 -17.197 -4.142 1.00 0.00 C ATOM 902 CE LYS A 63 0.405 -18.537 -4.334 1.00 0.00 C ATOM 903 NZ LYS A 63 1.075 -19.001 -3.088 1.00 0.00 N ATOM 0 H LYS A 63 0.254 -12.604 -5.410 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.569 -14.895 -4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.903 -14.056 -3.446 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.366 -14.993 -2.682 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.009 -15.880 -5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.604 -16.304 -3.646 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.797 -17.185 -3.180 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.047 -17.066 -4.911 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.327 -19.280 -4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.142 -18.455 -5.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.534 -19.918 -3.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.792 -18.305 -2.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.369 -19.105 -2.332 1.00 0.00 H new ATOM 917 N ALA A 64 -3.058 -13.027 -4.190 1.00 0.00 N ATOM 918 CA ALA A 64 -4.017 -12.176 -3.499 1.00 0.00 C ATOM 919 C ALA A 64 -4.242 -12.652 -2.061 1.00 0.00 C ATOM 920 O ALA A 64 -5.037 -13.562 -1.824 1.00 0.00 O ATOM 921 CB ALA A 64 -5.333 -12.142 -4.260 1.00 0.00 C ATOM 0 H ALA A 64 -3.430 -13.493 -5.018 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.608 -11.167 -3.458 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.041 -11.503 -3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.164 -11.748 -5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.738 -13.151 -4.331 1.00 0.00 H new ATOM 927 N GLY A 65 -3.546 -12.038 -1.108 1.00 0.00 N ATOM 928 CA GLY A 65 -3.702 -12.424 0.288 1.00 0.00 C ATOM 929 C GLY A 65 -2.548 -13.273 0.789 1.00 0.00 C ATOM 930 O GLY A 65 -2.747 -14.205 1.569 1.00 0.00 O ATOM 0 H GLY A 65 -2.880 -11.284 -1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.783 -11.527 0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.634 -12.977 0.407 1.00 0.00 H new ATOM 934 N GLU A 66 -1.341 -12.955 0.333 1.00 0.00 N ATOM 935 CA GLU A 66 -0.147 -13.697 0.727 1.00 0.00 C ATOM 936 C GLU A 66 0.612 -12.993 1.843 1.00 0.00 C ATOM 937 O GLU A 66 0.409 -11.809 2.086 1.00 0.00 O ATOM 938 CB GLU A 66 0.774 -13.871 -0.477 1.00 0.00 C ATOM 939 CG GLU A 66 1.915 -14.846 -0.240 1.00 0.00 C ATOM 940 CD GLU A 66 1.437 -16.197 0.249 1.00 0.00 C ATOM 941 OE1 GLU A 66 0.489 -16.746 -0.351 1.00 0.00 O ATOM 942 OE2 GLU A 66 2.010 -16.709 1.235 1.00 0.00 O ATOM 0 H GLU A 66 -1.163 -12.185 -0.312 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.470 -14.670 1.097 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.185 -14.215 -1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.188 -12.900 -0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.474 -14.977 -1.166 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.604 -14.422 0.491 1.00 0.00 H new ATOM 949 N GLU A 67 1.510 -13.731 2.490 1.00 0.00 N ATOM 950 CA GLU A 67 2.340 -13.190 3.563 1.00 0.00 C ATOM 951 C GLU A 67 3.799 -13.556 3.305 1.00 0.00 C ATOM 952 O GLU A 67 4.193 -14.712 3.461 1.00 0.00 O ATOM 953 CB GLU A 67 1.894 -13.730 4.922 1.00 0.00 C ATOM 954 CG GLU A 67 2.402 -12.908 6.096 1.00 0.00 C ATOM 955 CD GLU A 67 2.802 -13.766 7.280 1.00 0.00 C ATOM 956 OE1 GLU A 67 3.756 -14.560 7.141 1.00 0.00 O ATOM 957 OE2 GLU A 67 2.162 -13.642 8.346 1.00 0.00 O ATOM 0 H GLU A 67 1.683 -14.716 2.287 1.00 0.00 H new ATOM 0 HA GLU A 67 2.232 -12.105 3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.805 -13.759 4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.244 -14.757 5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.259 -12.315 5.776 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.627 -12.207 6.406 1.00 0.00 H new ATOM 964 N PHE A 68 4.587 -12.578 2.874 1.00 0.00 N ATOM 965 CA PHE A 68 5.991 -12.816 2.553 1.00 0.00 C ATOM 966 C PHE A 68 6.876 -11.677 3.049 1.00 0.00 C ATOM 967 O PHE A 68 6.388 -10.612 3.413 1.00 0.00 O ATOM 968 CB PHE A 68 6.145 -12.967 1.046 1.00 0.00 C ATOM 969 CG PHE A 68 5.527 -11.825 0.309 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.235 -10.656 0.114 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.228 -11.909 -0.160 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.662 -9.589 -0.546 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.648 -10.843 -0.817 1.00 0.00 C ATOM 974 CZ PHE A 68 4.366 -9.683 -1.011 1.00 0.00 C ATOM 0 H PHE A 68 4.280 -11.615 2.739 1.00 0.00 H new ATOM 0 HA PHE A 68 6.307 -13.730 3.055 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.203 -13.033 0.793 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.682 -13.900 0.725 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.247 -10.576 0.482 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.663 -12.817 -0.011 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.227 -8.681 -0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.633 -10.918 -1.179 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.915 -8.848 -1.527 1.00 0.00 H new ATOM 984 N THR A 69 8.181 -11.907 3.054 1.00 0.00 N ATOM 985 CA THR A 69 9.129 -10.894 3.497 1.00 0.00 C ATOM 986 C THR A 69 10.198 -10.658 2.438 1.00 0.00 C ATOM 987 O THR A 69 10.844 -11.601 1.983 1.00 0.00 O ATOM 988 CB THR A 69 9.783 -11.315 4.814 1.00 0.00 C ATOM 989 OG1 THR A 69 8.799 -11.620 5.785 1.00 0.00 O ATOM 990 CG2 THR A 69 10.693 -10.257 5.398 1.00 0.00 C ATOM 0 H THR A 69 8.608 -12.785 2.757 1.00 0.00 H new ATOM 0 HA THR A 69 8.583 -9.964 3.655 1.00 0.00 H new ATOM 0 HB THR A 69 10.384 -12.191 4.571 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.236 -11.889 6.620 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.123 -10.622 6.331 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.493 -10.035 4.692 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.119 -9.351 5.593 1.00 0.00 H new ATOM 998 N ILE A 70 10.386 -9.401 2.045 1.00 0.00 N ATOM 999 CA ILE A 70 11.387 -9.077 1.038 1.00 0.00 C ATOM 1000 C ILE A 70 12.232 -7.894 1.467 1.00 0.00 C ATOM 1001 O ILE A 70 11.893 -7.178 2.410 1.00 0.00 O ATOM 1002 CB ILE A 70 10.751 -8.770 -0.337 1.00 0.00 C ATOM 1003 CG1 ILE A 70 9.953 -7.461 -0.299 1.00 0.00 C ATOM 1004 CG2 ILE A 70 9.865 -9.923 -0.783 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.704 -7.527 0.550 1.00 0.00 C ATOM 0 H ILE A 70 9.865 -8.601 2.404 1.00 0.00 H new ATOM 0 HA ILE A 70 12.019 -9.960 0.939 1.00 0.00 H new ATOM 0 HB ILE A 70 11.557 -8.650 -1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.596 -6.666 0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.674 -7.188 -1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.425 -9.690 -1.753 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.463 -10.831 -0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.071 -10.076 -0.052 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.196 -6.563 0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.039 -8.298 0.160 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.975 -7.768 1.578 1.00 0.00 H new ATOM 1017 N ASP A 71 13.317 -7.672 0.745 1.00 0.00 N ATOM 1018 CA ASP A 71 14.196 -6.552 1.020 1.00 0.00 C ATOM 1019 C ASP A 71 13.776 -5.382 0.152 1.00 0.00 C ATOM 1020 O ASP A 71 13.275 -5.580 -0.950 1.00 0.00 O ATOM 1021 CB ASP A 71 15.653 -6.930 0.733 1.00 0.00 C ATOM 1022 CG ASP A 71 16.571 -6.643 1.904 1.00 0.00 C ATOM 1023 OD1 ASP A 71 16.592 -7.453 2.853 1.00 0.00 O ATOM 1024 OD2 ASP A 71 17.272 -5.609 1.870 1.00 0.00 O ATOM 0 H ASP A 71 13.610 -8.256 -0.039 1.00 0.00 H new ATOM 0 HA ASP A 71 14.121 -6.278 2.072 1.00 0.00 H new ATOM 0 HB2 ASP A 71 15.707 -7.990 0.485 1.00 0.00 H new ATOM 0 HB3 ASP A 71 16.002 -6.380 -0.141 1.00 0.00 H new ATOM 1029 N VAL A 72 13.986 -4.167 0.629 1.00 0.00 N ATOM 1030 CA VAL A 72 13.623 -2.991 -0.151 1.00 0.00 C ATOM 1031 C VAL A 72 14.592 -1.848 0.101 1.00 0.00 C ATOM 1032 O VAL A 72 14.855 -1.482 1.245 1.00 0.00 O ATOM 1033 CB VAL A 72 12.191 -2.508 0.153 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.184 -3.230 -0.729 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.858 -2.689 1.627 1.00 0.00 C ATOM 0 H VAL A 72 14.400 -3.968 1.540 1.00 0.00 H new ATOM 0 HA VAL A 72 13.672 -3.292 -1.197 1.00 0.00 H new ATOM 0 HB VAL A 72 12.135 -1.443 -0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.179 -2.875 -0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.409 -3.030 -1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.241 -4.303 -0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.843 -2.341 1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.935 -3.744 1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.558 -2.112 2.232 1.00 0.00 H new ATOM 1045 N THR A 73 15.105 -1.266 -0.975 1.00 0.00 N ATOM 1046 CA THR A 73 16.029 -0.145 -0.886 1.00 0.00 C ATOM 1047 C THR A 73 15.832 0.736 -2.110 1.00 0.00 C ATOM 1048 O THR A 73 15.928 0.264 -3.243 1.00 0.00 O ATOM 1049 CB THR A 73 17.480 -0.640 -0.799 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.758 -1.146 0.495 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.511 0.431 -1.101 1.00 0.00 C ATOM 0 H THR A 73 14.893 -1.557 -1.930 1.00 0.00 H new ATOM 0 HA THR A 73 15.827 0.429 0.019 1.00 0.00 H new ATOM 0 HB THR A 73 17.560 -1.417 -1.560 1.00 0.00 H new ATOM 0 HG1 THR A 73 16.918 -1.278 0.982 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.511 0.006 -1.020 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.358 0.808 -2.112 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.405 1.249 -0.389 1.00 0.00 H new ATOM 1059 N PHE A 74 15.529 2.005 -1.887 1.00 0.00 N ATOM 1060 CA PHE A 74 15.290 2.928 -2.986 1.00 0.00 C ATOM 1061 C PHE A 74 16.591 3.527 -3.522 1.00 0.00 C ATOM 1062 O PHE A 74 17.421 4.019 -2.757 1.00 0.00 O ATOM 1063 CB PHE A 74 14.322 4.009 -2.532 1.00 0.00 C ATOM 1064 CG PHE A 74 12.931 3.477 -2.333 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.681 2.468 -1.413 1.00 0.00 C ATOM 1066 CD2 PHE A 74 11.880 3.971 -3.079 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.401 1.970 -1.243 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.600 3.480 -2.916 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.359 2.479 -1.997 1.00 0.00 C ATOM 0 H PHE A 74 15.443 2.419 -0.959 1.00 0.00 H new ATOM 0 HA PHE A 74 14.845 2.377 -3.814 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.679 4.446 -1.599 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.301 4.809 -3.272 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.493 2.068 -0.824 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.062 4.753 -3.801 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.216 1.186 -0.524 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.789 3.879 -3.507 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.359 2.094 -1.867 1.00 0.00 H new ATOM 1079 N PRO A 75 16.787 3.479 -4.855 1.00 0.00 N ATOM 1080 CA PRO A 75 17.997 4.004 -5.505 1.00 0.00 C ATOM 1081 C PRO A 75 18.070 5.527 -5.501 1.00 0.00 C ATOM 1082 O PRO A 75 17.190 6.204 -4.969 1.00 0.00 O ATOM 1083 CB PRO A 75 17.871 3.497 -6.943 1.00 0.00 C ATOM 1084 CG PRO A 75 16.407 3.340 -7.156 1.00 0.00 C ATOM 1085 CD PRO A 75 15.851 2.894 -5.836 1.00 0.00 C ATOM 0 HA PRO A 75 18.898 3.678 -4.985 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.302 4.204 -7.652 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.395 2.551 -7.078 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.955 4.279 -7.474 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.201 2.607 -7.936 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.834 3.255 -5.686 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.817 1.807 -5.761 1.00 0.00 H new ATOM 1093 N GLU A 76 19.129 6.057 -6.111 1.00 0.00 N ATOM 1094 CA GLU A 76 19.328 7.499 -6.194 1.00 0.00 C ATOM 1095 C GLU A 76 18.420 8.122 -7.255 1.00 0.00 C ATOM 1096 O GLU A 76 18.305 9.344 -7.343 1.00 0.00 O ATOM 1097 CB GLU A 76 20.794 7.816 -6.511 1.00 0.00 C ATOM 1098 CG GLU A 76 21.336 7.059 -7.713 1.00 0.00 C ATOM 1099 CD GLU A 76 22.619 7.662 -8.250 1.00 0.00 C ATOM 1100 OE1 GLU A 76 22.655 8.892 -8.459 1.00 0.00 O ATOM 1101 OE2 GLU A 76 23.590 6.904 -8.460 1.00 0.00 O ATOM 0 H GLU A 76 19.863 5.506 -6.556 1.00 0.00 H new ATOM 0 HA GLU A 76 19.069 7.929 -5.226 1.00 0.00 H new ATOM 0 HB2 GLU A 76 20.894 8.886 -6.691 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.404 7.581 -5.639 1.00 0.00 H new ATOM 0 HG2 GLU A 76 21.516 6.021 -7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.584 7.051 -8.502 1.00 0.00 H new ATOM 1108 N GLU A 77 17.777 7.276 -8.056 1.00 0.00 N ATOM 1109 CA GLU A 77 16.880 7.747 -9.106 1.00 0.00 C ATOM 1110 C GLU A 77 15.478 7.965 -8.548 1.00 0.00 C ATOM 1111 O GLU A 77 14.784 8.907 -8.931 1.00 0.00 O ATOM 1112 CB GLU A 77 16.834 6.743 -10.259 1.00 0.00 C ATOM 1113 CG GLU A 77 18.170 6.069 -10.532 1.00 0.00 C ATOM 1114 CD GLU A 77 18.502 6.005 -12.010 1.00 0.00 C ATOM 1115 OE1 GLU A 77 17.560 6.006 -12.831 1.00 0.00 O ATOM 1116 OE2 GLU A 77 19.703 5.958 -12.347 1.00 0.00 O ATOM 0 H GLU A 77 17.861 6.261 -7.997 1.00 0.00 H new ATOM 0 HA GLU A 77 17.260 8.697 -9.483 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.090 5.979 -10.035 1.00 0.00 H new ATOM 0 HB3 GLU A 77 16.503 7.255 -11.163 1.00 0.00 H new ATOM 0 HG2 GLU A 77 18.959 6.610 -10.010 1.00 0.00 H new ATOM 0 HG3 GLU A 77 18.153 5.059 -10.124 1.00 0.00 H new ATOM 1123 N TYR A 78 15.074 7.090 -7.635 1.00 0.00 N ATOM 1124 CA TYR A 78 13.762 7.186 -7.008 1.00 0.00 C ATOM 1125 C TYR A 78 13.686 8.429 -6.131 1.00 0.00 C ATOM 1126 O TYR A 78 12.987 9.391 -6.452 1.00 0.00 O ATOM 1127 CB TYR A 78 13.489 5.936 -6.168 1.00 0.00 C ATOM 1128 CG TYR A 78 12.023 5.600 -6.025 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.190 6.345 -5.195 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.473 4.531 -6.718 1.00 0.00 C ATOM 1131 CE1 TYR A 78 9.852 6.032 -5.064 1.00 0.00 C ATOM 1132 CE2 TYR A 78 10.136 4.212 -6.593 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.329 4.965 -5.765 1.00 0.00 C ATOM 1134 OH TYR A 78 7.996 4.649 -5.637 1.00 0.00 O ATOM 0 H TYR A 78 15.638 6.304 -7.312 1.00 0.00 H new ATOM 0 HA TYR A 78 13.006 7.261 -7.789 1.00 0.00 H new ATOM 0 HB2 TYR A 78 14.003 5.088 -6.620 1.00 0.00 H new ATOM 0 HB3 TYR A 78 13.917 6.077 -5.176 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.597 7.181 -4.645 1.00 0.00 H new ATOM 0 HD2 TYR A 78 12.102 3.939 -7.366 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.218 6.619 -4.416 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.724 3.377 -7.140 1.00 0.00 H new ATOM 0 HH TYR A 78 7.789 3.873 -6.198 1.00 0.00 H new ATOM 1144 N HIS A 79 14.431 8.399 -5.028 1.00 0.00 N ATOM 1145 CA HIS A 79 14.496 9.506 -4.079 1.00 0.00 C ATOM 1146 C HIS A 79 13.180 10.281 -3.970 1.00 0.00 C ATOM 1147 O HIS A 79 13.069 11.406 -4.459 1.00 0.00 O ATOM 1148 CB HIS A 79 15.635 10.448 -4.460 1.00 0.00 C ATOM 1149 CG HIS A 79 16.971 9.972 -3.982 1.00 0.00 C ATOM 1150 ND1 HIS A 79 18.100 10.760 -3.982 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.353 8.773 -3.479 1.00 0.00 C ATOM 1152 CE1 HIS A 79 19.120 10.071 -3.501 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.692 8.861 -3.187 1.00 0.00 N ATOM 0 H HIS A 79 15.010 7.601 -4.767 1.00 0.00 H new ATOM 0 HA HIS A 79 14.683 9.073 -3.096 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.661 10.558 -5.544 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.437 11.436 -4.044 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.722 7.909 -3.335 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.130 10.435 -3.385 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.263 8.114 -2.792 1.00 0.00 H new ATOM 1161 N ALA A 80 12.190 9.681 -3.310 1.00 0.00 N ATOM 1162 CA ALA A 80 10.895 10.328 -3.122 1.00 0.00 C ATOM 1163 C ALA A 80 10.917 11.214 -1.877 1.00 0.00 C ATOM 1164 O ALA A 80 11.500 10.857 -0.857 1.00 0.00 O ATOM 1165 CB ALA A 80 9.787 9.291 -3.024 1.00 0.00 C ATOM 0 H ALA A 80 12.261 8.751 -2.898 1.00 0.00 H new ATOM 0 HA ALA A 80 10.695 10.958 -3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.830 9.793 -2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.757 8.702 -3.941 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.979 8.633 -2.177 1.00 0.00 H new ATOM 1171 N GLU A 81 10.290 12.376 -1.976 1.00 0.00 N ATOM 1172 CA GLU A 81 10.248 13.337 -0.873 1.00 0.00 C ATOM 1173 C GLU A 81 9.913 12.695 0.480 1.00 0.00 C ATOM 1174 O GLU A 81 10.241 13.255 1.525 1.00 0.00 O ATOM 1175 CB GLU A 81 9.224 14.432 -1.178 1.00 0.00 C ATOM 1176 CG GLU A 81 9.821 15.657 -1.849 1.00 0.00 C ATOM 1177 CD GLU A 81 9.512 16.940 -1.101 1.00 0.00 C ATOM 1178 OE1 GLU A 81 8.335 17.148 -0.739 1.00 0.00 O ATOM 1179 OE2 GLU A 81 10.449 17.736 -0.877 1.00 0.00 O ATOM 0 H GLU A 81 9.798 12.683 -2.815 1.00 0.00 H new ATOM 0 HA GLU A 81 11.251 13.756 -0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.445 14.020 -1.820 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.743 14.736 -0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.902 15.535 -1.924 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.438 15.733 -2.867 1.00 0.00 H new ATOM 1186 N ASN A 82 9.231 11.551 0.472 1.00 0.00 N ATOM 1187 CA ASN A 82 8.839 10.907 1.727 1.00 0.00 C ATOM 1188 C ASN A 82 9.818 9.829 2.201 1.00 0.00 C ATOM 1189 O ASN A 82 10.062 9.704 3.401 1.00 0.00 O ATOM 1190 CB ASN A 82 7.433 10.314 1.604 1.00 0.00 C ATOM 1191 CG ASN A 82 7.305 9.342 0.450 1.00 0.00 C ATOM 1192 OD1 ASN A 82 6.722 9.662 -0.587 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.851 8.147 0.622 1.00 0.00 N ATOM 0 H ASN A 82 8.942 11.057 -0.372 1.00 0.00 H new ATOM 0 HA ASN A 82 8.853 11.692 2.483 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.176 9.804 2.533 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.713 11.122 1.474 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.798 7.450 -0.121 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.325 7.924 1.497 1.00 0.00 H new ATOM 1200 N LEU A 83 10.361 9.030 1.284 1.00 0.00 N ATOM 1201 CA LEU A 83 11.282 7.959 1.679 1.00 0.00 C ATOM 1202 C LEU A 83 12.525 7.885 0.792 1.00 0.00 C ATOM 1203 O LEU A 83 13.221 6.877 0.770 1.00 0.00 O ATOM 1204 CB LEU A 83 10.546 6.611 1.688 1.00 0.00 C ATOM 1205 CG LEU A 83 10.367 5.895 0.334 1.00 0.00 C ATOM 1206 CD1 LEU A 83 10.311 6.855 -0.849 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.474 4.889 0.125 1.00 0.00 C ATOM 0 H LEU A 83 10.186 9.098 0.281 1.00 0.00 H new ATOM 0 HA LEU A 83 11.632 8.192 2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.082 5.938 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.558 6.769 2.120 1.00 0.00 H new ATOM 0 HG LEU A 83 9.403 5.387 0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.184 6.289 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.471 7.538 -0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.238 7.426 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.336 4.390 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.437 5.400 0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.449 4.149 0.925 1.00 0.00 H new ATOM 1219 N LYS A 84 12.791 8.953 0.062 1.00 0.00 N ATOM 1220 CA LYS A 84 13.946 9.021 -0.838 1.00 0.00 C ATOM 1221 C LYS A 84 15.171 8.273 -0.298 1.00 0.00 C ATOM 1222 O LYS A 84 15.576 8.463 0.848 1.00 0.00 O ATOM 1223 CB LYS A 84 14.319 10.480 -1.110 1.00 0.00 C ATOM 1224 CG LYS A 84 14.610 11.277 0.150 1.00 0.00 C ATOM 1225 CD LYS A 84 13.664 12.459 0.295 1.00 0.00 C ATOM 1226 CE LYS A 84 14.309 13.599 1.064 1.00 0.00 C ATOM 1227 NZ LYS A 84 13.585 14.883 0.865 1.00 0.00 N ATOM 0 H LYS A 84 12.220 9.798 0.070 1.00 0.00 H new ATOM 0 HA LYS A 84 13.647 8.529 -1.763 1.00 0.00 H new ATOM 0 HB2 LYS A 84 15.195 10.508 -1.758 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.505 10.959 -1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 84 14.519 10.628 1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 84 15.639 11.635 0.125 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.364 12.809 -0.693 1.00 0.00 H new ATOM 0 HD3 LYS A 84 12.757 12.140 0.809 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.329 13.355 2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 84 15.345 13.713 0.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.057 15.635 1.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.587 15.130 -0.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.604 14.783 1.195 1.00 0.00 H new ATOM 1241 N GLY A 85 15.759 7.436 -1.154 1.00 0.00 N ATOM 1242 CA GLY A 85 16.944 6.671 -0.786 1.00 0.00 C ATOM 1243 C GLY A 85 16.813 5.959 0.547 1.00 0.00 C ATOM 1244 O GLY A 85 17.706 6.042 1.390 1.00 0.00 O ATOM 0 H GLY A 85 15.432 7.273 -2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.148 5.935 -1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.803 7.341 -0.748 1.00 0.00 H new ATOM 1248 N LYS A 86 15.700 5.263 0.741 1.00 0.00 N ATOM 1249 CA LYS A 86 15.466 4.539 1.986 1.00 0.00 C ATOM 1250 C LYS A 86 15.785 3.049 1.849 1.00 0.00 C ATOM 1251 O LYS A 86 14.939 2.262 1.426 1.00 0.00 O ATOM 1252 CB LYS A 86 14.019 4.731 2.435 1.00 0.00 C ATOM 1253 CG LYS A 86 13.759 4.310 3.869 1.00 0.00 C ATOM 1254 CD LYS A 86 13.351 2.852 3.947 1.00 0.00 C ATOM 1255 CE LYS A 86 12.061 2.590 3.185 1.00 0.00 C ATOM 1256 NZ LYS A 86 12.296 1.777 1.960 1.00 0.00 N ATOM 0 H LYS A 86 14.948 5.184 0.057 1.00 0.00 H new ATOM 0 HA LYS A 86 16.138 4.948 2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.750 5.781 2.321 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.365 4.161 1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.656 4.472 4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.974 4.933 4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.147 2.229 3.541 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.223 2.565 4.991 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.354 2.073 3.834 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.603 3.540 2.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.694 2.129 1.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.295 1.851 1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.063 0.782 2.154 1.00 0.00 H new ATOM 1270 N ALA A 87 16.999 2.665 2.233 1.00 0.00 N ATOM 1271 CA ALA A 87 17.417 1.264 2.179 1.00 0.00 C ATOM 1272 C ALA A 87 16.918 0.528 3.415 1.00 0.00 C ATOM 1273 O ALA A 87 17.448 0.718 4.509 1.00 0.00 O ATOM 1274 CB ALA A 87 18.933 1.167 2.080 1.00 0.00 C ATOM 0 H ALA A 87 17.712 3.303 2.585 1.00 0.00 H new ATOM 0 HA ALA A 87 16.984 0.800 1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.229 0.119 2.041 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.272 1.674 1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.386 1.639 2.952 1.00 0.00 H new ATOM 1280 N ALA A 88 15.874 -0.286 3.257 1.00 0.00 N ATOM 1281 CA ALA A 88 15.304 -0.996 4.397 1.00 0.00 C ATOM 1282 C ALA A 88 14.955 -2.453 4.106 1.00 0.00 C ATOM 1283 O ALA A 88 15.247 -2.998 3.043 1.00 0.00 O ATOM 1284 CB ALA A 88 14.052 -0.263 4.872 1.00 0.00 C ATOM 0 H ALA A 88 15.413 -0.467 2.365 1.00 0.00 H new ATOM 0 HA ALA A 88 16.073 -1.010 5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.623 -0.790 5.724 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.315 0.752 5.169 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.323 -0.227 4.063 1.00 0.00 H new ATOM 1290 N LYS A 89 14.281 -3.039 5.086 1.00 0.00 N ATOM 1291 CA LYS A 89 13.800 -4.408 5.025 1.00 0.00 C ATOM 1292 C LYS A 89 12.323 -4.380 5.363 1.00 0.00 C ATOM 1293 O LYS A 89 11.926 -3.683 6.293 1.00 0.00 O ATOM 1294 CB LYS A 89 14.553 -5.295 6.020 1.00 0.00 C ATOM 1295 CG LYS A 89 15.714 -6.056 5.405 1.00 0.00 C ATOM 1296 CD LYS A 89 16.950 -5.181 5.284 1.00 0.00 C ATOM 1297 CE LYS A 89 17.527 -4.840 6.649 1.00 0.00 C ATOM 1298 NZ LYS A 89 18.734 -5.654 6.962 1.00 0.00 N ATOM 0 H LYS A 89 14.050 -2.566 5.960 1.00 0.00 H new ATOM 0 HA LYS A 89 13.965 -4.823 4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.928 -4.675 6.834 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.854 -6.008 6.458 1.00 0.00 H new ATOM 0 HG2 LYS A 89 15.943 -6.929 6.016 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.429 -6.423 4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.704 -5.695 4.687 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.696 -4.262 4.755 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.785 -3.781 6.680 1.00 0.00 H new ATOM 0 HE3 LYS A 89 16.769 -5.005 7.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.096 -5.391 7.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 18.483 -6.663 6.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.467 -5.477 6.246 1.00 0.00 H new ATOM 1312 N PHE A 90 11.514 -5.158 4.658 1.00 0.00 N ATOM 1313 CA PHE A 90 10.079 -5.212 4.950 1.00 0.00 C ATOM 1314 C PHE A 90 9.555 -6.636 4.927 1.00 0.00 C ATOM 1315 O PHE A 90 10.082 -7.490 4.214 1.00 0.00 O ATOM 1316 CB PHE A 90 9.240 -4.453 3.915 1.00 0.00 C ATOM 1317 CG PHE A 90 9.535 -2.998 3.728 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.285 -2.279 4.636 1.00 0.00 C ATOM 1319 CD2 PHE A 90 9.017 -2.351 2.627 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.522 -0.930 4.445 1.00 0.00 C ATOM 1321 CE2 PHE A 90 9.241 -1.001 2.428 1.00 0.00 C ATOM 1322 CZ PHE A 90 9.997 -0.291 3.338 1.00 0.00 C ATOM 0 H PHE A 90 11.816 -5.755 3.888 1.00 0.00 H new ATOM 0 HA PHE A 90 9.983 -4.761 5.937 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.363 -4.949 2.952 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.191 -4.552 4.193 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.691 -2.775 5.505 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.429 -2.905 1.911 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.115 -0.378 5.159 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.826 -0.504 1.564 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.178 0.763 3.185 1.00 0.00 H new ATOM 1332 N ALA A 91 8.466 -6.865 5.646 1.00 0.00 N ATOM 1333 CA ALA A 91 7.803 -8.152 5.654 1.00 0.00 C ATOM 1334 C ALA A 91 6.374 -7.850 5.246 1.00 0.00 C ATOM 1335 O ALA A 91 5.608 -7.250 5.999 1.00 0.00 O ATOM 1336 CB ALA A 91 7.862 -8.796 7.033 1.00 0.00 C ATOM 0 H ALA A 91 8.021 -6.163 6.238 1.00 0.00 H new ATOM 0 HA ALA A 91 8.280 -8.863 4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.356 -9.761 7.006 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.903 -8.940 7.323 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.370 -8.148 7.758 1.00 0.00 H new ATOM 1342 N ILE A 92 6.071 -8.163 3.996 1.00 0.00 N ATOM 1343 CA ILE A 92 4.787 -7.813 3.413 1.00 0.00 C ATOM 1344 C ILE A 92 3.778 -8.953 3.322 1.00 0.00 C ATOM 1345 O ILE A 92 4.117 -10.131 3.380 1.00 0.00 O ATOM 1346 CB ILE A 92 5.015 -7.259 1.994 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.142 -6.213 1.999 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.727 -6.694 1.429 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.189 -5.349 0.762 1.00 0.00 C ATOM 0 H ILE A 92 6.699 -8.660 3.365 1.00 0.00 H new ATOM 0 HA ILE A 92 4.354 -7.078 4.091 1.00 0.00 H new ATOM 0 HB ILE A 92 5.327 -8.076 1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.023 -5.572 2.872 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.098 -6.726 2.107 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.908 -6.307 0.426 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.974 -7.480 1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.372 -5.887 2.070 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.011 -4.639 0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.340 -5.978 -0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.249 -4.806 0.662 1.00 0.00 H new ATOM 1361 N ASN A 93 2.526 -8.548 3.134 1.00 0.00 N ATOM 1362 CA ASN A 93 1.410 -9.465 2.974 1.00 0.00 C ATOM 1363 C ASN A 93 0.528 -8.983 1.818 1.00 0.00 C ATOM 1364 O ASN A 93 -0.203 -8.002 1.955 1.00 0.00 O ATOM 1365 CB ASN A 93 0.597 -9.534 4.268 1.00 0.00 C ATOM 1366 CG ASN A 93 -0.329 -10.732 4.323 1.00 0.00 C ATOM 1367 OD1 ASN A 93 -0.073 -11.699 5.039 1.00 0.00 O ATOM 1368 ND2 ASN A 93 -1.415 -10.673 3.561 1.00 0.00 N ATOM 0 H ASN A 93 2.258 -7.565 3.088 1.00 0.00 H new ATOM 0 HA ASN A 93 1.786 -10.463 2.751 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.279 -9.570 5.117 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.009 -8.622 4.370 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.076 -11.450 3.554 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -1.588 -9.851 2.982 1.00 0.00 H new ATOM 1375 N LEU A 94 0.620 -9.654 0.672 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.149 -9.266 -0.512 1.00 0.00 C ATOM 1377 C LEU A 94 -1.645 -9.459 -0.312 1.00 0.00 C ATOM 1378 O LEU A 94 -2.071 -10.260 0.519 1.00 0.00 O ATOM 1379 CB LEU A 94 0.315 -10.062 -1.731 1.00 0.00 C ATOM 1380 CG LEU A 94 -0.078 -9.472 -3.085 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.556 -8.104 -3.275 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.336 -10.408 -4.208 1.00 0.00 C ATOM 0 H LEU A 94 1.219 -10.469 0.536 1.00 0.00 H new ATOM 0 HA LEU A 94 0.031 -8.204 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.401 -10.152 -1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.091 -11.071 -1.661 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.161 -9.355 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.265 -7.700 -4.244 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.217 -7.433 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.641 -8.197 -3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.050 -9.975 -5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.416 -10.551 -4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.161 -11.370 -4.082 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.437 -8.720 -1.088 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.887 -8.813 -1.005 1.00 0.00 C ATOM 1396 C LYS A 95 -4.546 -8.498 -2.357 1.00 0.00 C ATOM 1397 O LYS A 95 -4.537 -9.328 -3.262 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.419 -7.888 0.098 1.00 0.00 C ATOM 1399 CG LYS A 95 -4.146 -8.400 1.503 1.00 0.00 C ATOM 1400 CD LYS A 95 -4.528 -7.374 2.557 1.00 0.00 C ATOM 1401 CE LYS A 95 -4.561 -7.992 3.945 1.00 0.00 C ATOM 1402 NZ LYS A 95 -5.244 -7.110 4.931 1.00 0.00 N ATOM 0 H LYS A 95 -2.096 -8.052 -1.779 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.147 -9.840 -0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.966 -6.903 -0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.494 -7.762 -0.032 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.706 -9.320 1.671 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.089 -8.647 1.602 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.814 -6.550 2.541 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.506 -6.954 2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.073 -8.953 3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.542 -8.189 4.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.245 -7.568 5.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.741 -6.202 4.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.224 -6.943 4.627 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.162 -7.324 -2.475 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.860 -6.966 -3.702 1.00 0.00 C ATOM 1418 C LYS A 96 -4.907 -6.601 -4.833 1.00 0.00 C ATOM 1419 O LYS A 96 -4.371 -5.494 -4.879 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.819 -5.802 -3.443 1.00 0.00 C ATOM 1421 CG LYS A 96 -8.016 -6.180 -2.584 1.00 0.00 C ATOM 1422 CD LYS A 96 -9.019 -5.039 -2.492 1.00 0.00 C ATOM 1423 CE LYS A 96 -10.447 -5.543 -2.623 1.00 0.00 C ATOM 1424 NZ LYS A 96 -11.441 -4.506 -2.231 1.00 0.00 N ATOM 0 H LYS A 96 -5.191 -6.613 -1.744 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.419 -7.847 -4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.273 -4.994 -2.956 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.175 -5.416 -4.398 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.503 -7.061 -3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.677 -6.449 -1.584 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.900 -4.524 -1.539 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.816 -4.310 -3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.630 -5.850 -3.653 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.579 -6.426 -1.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.402 -4.890 -2.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.283 -4.231 -1.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.333 -3.673 -2.844 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.734 -7.534 -5.766 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.888 -7.328 -6.934 1.00 0.00 C ATOM 1440 C VAL A 97 -4.757 -7.263 -8.188 1.00 0.00 C ATOM 1441 O VAL A 97 -5.272 -8.281 -8.647 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.852 -8.467 -7.080 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.511 -9.829 -6.879 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.149 -8.403 -8.432 1.00 0.00 C ATOM 0 H VAL A 97 -5.177 -8.452 -5.732 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.349 -6.389 -6.806 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.099 -8.333 -6.304 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.763 -10.615 -6.986 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.948 -9.878 -5.882 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.293 -9.968 -7.625 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.427 -9.216 -8.505 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.885 -8.499 -9.230 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.632 -7.448 -8.528 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.935 -6.062 -8.727 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.764 -5.873 -9.913 1.00 0.00 C ATOM 1456 C GLU A 98 -4.995 -5.142 -11.017 1.00 0.00 C ATOM 1457 O GLU A 98 -3.810 -4.865 -10.867 1.00 0.00 O ATOM 1458 CB GLU A 98 -7.025 -5.104 -9.533 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.801 -5.739 -8.387 1.00 0.00 C ATOM 1460 CD GLU A 98 -7.632 -4.983 -7.083 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -6.512 -4.992 -6.530 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -8.621 -4.382 -6.612 1.00 0.00 O ATOM 0 H GLU A 98 -4.517 -5.206 -8.363 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.043 -6.851 -10.304 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.751 -4.086 -9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.674 -5.033 -10.406 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.859 -5.778 -8.646 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.468 -6.768 -8.253 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.669 -4.846 -12.133 1.00 0.00 N ATOM 1470 CA GLU A 99 -5.020 -4.165 -13.259 1.00 0.00 C ATOM 1471 C GLU A 99 -5.469 -2.716 -13.406 1.00 0.00 C ATOM 1472 O GLU A 99 -6.421 -2.417 -14.124 1.00 0.00 O ATOM 1473 CB GLU A 99 -5.280 -4.923 -14.562 1.00 0.00 C ATOM 1474 CG GLU A 99 -4.538 -4.346 -15.757 1.00 0.00 C ATOM 1475 CD GLU A 99 -5.470 -3.907 -16.870 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -6.476 -3.228 -16.569 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -5.196 -4.242 -18.042 1.00 0.00 O ATOM 0 H GLU A 99 -6.654 -5.065 -12.281 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.951 -4.154 -13.046 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -4.988 -5.965 -14.431 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.350 -4.915 -14.770 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.941 -3.494 -15.432 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.844 -5.093 -16.143 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.754 -1.822 -12.735 1.00 0.00 N ATOM 1485 CA ARG A 100 -5.046 -0.391 -12.778 1.00 0.00 C ATOM 1486 C ARG A 100 -4.669 0.227 -14.117 1.00 0.00 C ATOM 1487 O ARG A 100 -4.099 -0.430 -14.990 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.274 0.320 -11.671 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.767 0.276 -11.878 1.00 0.00 C ATOM 1490 CD ARG A 100 -2.142 1.655 -11.762 1.00 0.00 C ATOM 1491 NE ARG A 100 -0.865 1.732 -12.468 1.00 0.00 N ATOM 1492 CZ ARG A 100 -0.523 2.717 -13.298 1.00 0.00 C ATOM 1493 NH1 ARG A 100 -1.344 3.738 -13.507 1.00 0.00 N ATOM 1494 NH2 ARG A 100 0.650 2.683 -13.913 1.00 0.00 N ATOM 0 H ARG A 100 -3.957 -2.065 -12.147 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.120 -0.270 -12.638 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.598 1.359 -11.619 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.518 -0.139 -10.713 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.318 -0.390 -11.141 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.547 -0.141 -12.861 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.827 2.400 -12.167 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.991 1.899 -10.710 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.191 0.982 -12.315 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -2.245 3.773 -13.031 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -1.074 4.487 -14.144 1.00 0.00 H new ATOM 0 HH21 ARG A 100 1.289 1.904 -13.751 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.914 3.435 -14.549 1.00 0.00 H new