USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1006 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 45 MET CE :methyl 155:sc= -2.78! (180deg=-3.7!) USER MOD Set 1.2: A 49 GLN : amide:sc= -2.55! C(o=-14!,f=-17!) USER MOD Set 1.3: B 45 MET CE :methyl -177:sc= -4.5! (180deg=-4.4!) USER MOD Set 1.4: B 49 GLN : amide:sc= -4.66! C(o=-14!,f=-21!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -158:sc= 0.77 (180deg=0.515) USER MOD Single : A 11 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.445) USER MOD Single : A 12 THR OG1 : rot 173:sc= 0.217 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS :FLIP no HD1:sc= -0.286 F(o=-1.1,f=-0.29) USER MOD Single : A 23 THR OG1 : rot -72:sc= -1.14 USER MOD Single : A 25 LYS NZ :NH3+ -132:sc= -0.257 (180deg=-1.05) USER MOD Single : A 28 SER OG : rot 63:sc= 0.765 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl 177:sc= -4.57! (180deg=-4.63!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0396 USER MOD Single : A 50 ASN : amide:sc= -2.77 X(o=-2.8,f=-2.7) USER MOD Single : A 51 LYS NZ :NH3+ -118:sc= -3.69! (180deg=-7.37!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.246 K(o=-0.25,f=-1.3!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= -0.237 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 THR OG1 : rot -133:sc= 0.676 USER MOD Single : B 13 THR OG1 : rot 180:sc= 0 USER MOD Single : B 21 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : B 23 THR OG1 : rot -73:sc= -1.85! USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 SER OG : rot 70:sc= 1.09 USER MOD Single : B 30 TYR OH : rot 180:sc= 0 USER MOD Single : B 32 ASN : amide:sc= -0.0496 X(o=-0.05,f=-0.45) USER MOD Single : B 35 MET CE :methyl 171:sc= -2.12 (180deg=-2.41) USER MOD Single : B 36 THR OG1 : rot 81:sc= 0.0873 USER MOD Single : B 50 ASN : amide:sc= -4.04! C(o=-4!,f=-5.1!) USER MOD Single : B 51 LYS NZ :NH3+ -133:sc= -6.06! (180deg=-9.43!) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 ASN : amide:sc= -0.143 K(o=-0.14,f=-1.7!) USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ -111:sc= -1.03! (180deg=-2.6!) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N LYS A 9 2.069 10.396 -13.751 1.00 0.00 N ATOM 136 CA LYS A 9 1.652 9.102 -13.218 1.00 0.00 C ATOM 137 C LYS A 9 1.404 8.105 -14.347 1.00 0.00 C ATOM 138 O LYS A 9 0.671 8.396 -15.292 1.00 0.00 O ATOM 139 CB LYS A 9 0.373 9.266 -12.390 1.00 0.00 C ATOM 140 CG LYS A 9 0.613 9.341 -10.892 1.00 0.00 C ATOM 141 CD LYS A 9 -0.305 10.356 -10.228 1.00 0.00 C ATOM 142 CE LYS A 9 0.043 11.778 -10.638 1.00 0.00 C ATOM 143 NZ LYS A 9 -1.176 12.601 -10.876 1.00 0.00 N ATOM 0 HA LYS A 9 2.452 8.720 -12.584 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.142 10.171 -12.711 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.293 8.429 -12.600 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.452 8.359 -10.448 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.652 9.611 -10.702 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.340 10.142 -10.497 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.231 10.261 -9.145 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.648 12.242 -9.860 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.649 11.757 -11.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.896 13.563 -11.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.742 12.172 -11.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.742 12.643 -10.005 1.00 0.00 H new ATOM 157 N LYS A 10 2.007 6.925 -14.239 1.00 0.00 N ATOM 158 CA LYS A 10 1.833 5.890 -15.248 1.00 0.00 C ATOM 159 C LYS A 10 1.165 4.667 -14.627 1.00 0.00 C ATOM 160 O LYS A 10 1.544 4.231 -13.545 1.00 0.00 O ATOM 161 CB LYS A 10 3.185 5.507 -15.855 1.00 0.00 C ATOM 162 CG LYS A 10 3.925 6.677 -16.483 1.00 0.00 C ATOM 163 CD LYS A 10 5.396 6.678 -16.094 1.00 0.00 C ATOM 164 CE LYS A 10 6.276 7.174 -17.230 1.00 0.00 C ATOM 165 NZ LYS A 10 7.052 8.385 -16.843 1.00 0.00 N ATOM 0 H LYS A 10 2.618 6.664 -13.465 1.00 0.00 H new ATOM 0 HA LYS A 10 1.195 6.275 -16.043 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.811 5.067 -15.078 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.029 4.738 -16.612 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.834 6.626 -17.568 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.463 7.613 -16.168 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.541 7.311 -15.218 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.699 5.670 -15.812 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.963 6.383 -17.529 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.656 7.402 -18.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.336 8.904 -17.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.462 8.999 -16.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.901 8.099 -16.314 1.00 0.00 H new ATOM 179 N LYS A 11 0.166 4.110 -15.301 1.00 0.00 N ATOM 180 CA LYS A 11 -0.523 2.942 -14.765 1.00 0.00 C ATOM 181 C LYS A 11 0.448 1.779 -14.635 1.00 0.00 C ATOM 182 O LYS A 11 0.867 1.189 -15.630 1.00 0.00 O ATOM 183 CB LYS A 11 -1.703 2.549 -15.655 1.00 0.00 C ATOM 184 CG LYS A 11 -2.819 3.582 -15.678 1.00 0.00 C ATOM 185 CD LYS A 11 -2.688 4.525 -16.863 1.00 0.00 C ATOM 186 CE LYS A 11 -2.809 5.980 -16.438 1.00 0.00 C ATOM 187 NZ LYS A 11 -1.490 6.672 -16.441 1.00 0.00 N ATOM 0 H LYS A 11 -0.180 4.440 -16.202 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.911 3.194 -13.778 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.344 2.392 -16.672 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.107 1.598 -15.309 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.783 3.075 -15.721 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.802 4.157 -14.752 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.726 4.367 -17.350 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.459 4.295 -17.598 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.492 6.499 -17.110 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.244 6.031 -15.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.638 7.701 -16.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.943 6.379 -15.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.967 6.419 -17.304 1.00 0.00 H new ATOM 201 N THR A 12 0.811 1.464 -13.397 1.00 0.00 N ATOM 202 CA THR A 12 1.746 0.382 -13.131 1.00 0.00 C ATOM 203 C THR A 12 1.052 -0.788 -12.442 1.00 0.00 C ATOM 204 O THR A 12 0.112 -0.595 -11.672 1.00 0.00 O ATOM 205 CB THR A 12 2.907 0.883 -12.270 1.00 0.00 C ATOM 206 OG1 THR A 12 3.196 2.239 -12.558 1.00 0.00 O ATOM 207 CG2 THR A 12 4.181 0.090 -12.463 1.00 0.00 C ATOM 0 H THR A 12 0.471 1.943 -12.563 1.00 0.00 H new ATOM 0 HA THR A 12 2.136 0.032 -14.087 1.00 0.00 H new ATOM 0 HB THR A 12 2.576 0.761 -11.239 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.865 2.573 -11.924 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.964 0.498 -11.823 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.004 -0.953 -12.200 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.495 0.153 -13.505 1.00 0.00 H new ATOM 215 N THR A 13 1.519 -2.003 -12.719 1.00 0.00 N ATOM 216 CA THR A 13 0.929 -3.192 -12.114 1.00 0.00 C ATOM 217 C THR A 13 1.838 -3.798 -11.058 1.00 0.00 C ATOM 218 O THR A 13 3.062 -3.796 -11.188 1.00 0.00 O ATOM 219 CB THR A 13 0.620 -4.256 -13.164 1.00 0.00 C ATOM 220 OG1 THR A 13 0.476 -3.678 -14.449 1.00 0.00 O ATOM 221 CG2 THR A 13 -0.639 -5.035 -12.857 1.00 0.00 C ATOM 0 H THR A 13 2.297 -2.188 -13.352 1.00 0.00 H new ATOM 0 HA THR A 13 0.002 -2.867 -11.642 1.00 0.00 H new ATOM 0 HB THR A 13 1.469 -4.940 -13.145 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.280 -4.381 -15.104 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.807 -5.777 -13.638 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.530 -5.538 -11.896 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.488 -4.353 -12.815 1.00 0.00 H new ATOM 229 N LEU A 14 1.212 -4.339 -10.026 1.00 0.00 N ATOM 230 CA LEU A 14 1.919 -4.990 -8.938 1.00 0.00 C ATOM 231 C LEU A 14 1.099 -6.186 -8.477 1.00 0.00 C ATOM 232 O LEU A 14 -0.111 -6.067 -8.290 1.00 0.00 O ATOM 233 CB LEU A 14 2.144 -4.013 -7.778 1.00 0.00 C ATOM 234 CG LEU A 14 2.537 -2.586 -8.184 1.00 0.00 C ATOM 235 CD1 LEU A 14 1.914 -1.573 -7.242 1.00 0.00 C ATOM 236 CD2 LEU A 14 4.050 -2.424 -8.209 1.00 0.00 C ATOM 0 H LEU A 14 0.198 -4.339 -9.920 1.00 0.00 H new ATOM 0 HA LEU A 14 2.898 -5.324 -9.283 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.231 -3.965 -7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.924 -4.416 -7.132 1.00 0.00 H new ATOM 0 HG LEU A 14 2.158 -2.406 -9.190 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.204 -0.567 -7.546 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.828 -1.664 -7.277 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.261 -1.759 -6.226 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.302 -1.404 -8.500 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.454 -2.629 -7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.479 -3.122 -8.928 1.00 0.00 H new ATOM 248 N ALA A 15 1.732 -7.344 -8.320 1.00 0.00 N ATOM 249 CA ALA A 15 0.989 -8.528 -7.913 1.00 0.00 C ATOM 250 C ALA A 15 0.876 -8.626 -6.407 1.00 0.00 C ATOM 251 O ALA A 15 1.740 -9.185 -5.736 1.00 0.00 O ATOM 252 CB ALA A 15 1.638 -9.784 -8.476 1.00 0.00 C ATOM 0 H ALA A 15 2.732 -7.486 -8.464 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.019 -8.438 -8.317 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.070 -10.659 -8.162 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.650 -9.731 -9.565 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.660 -9.863 -8.105 1.00 0.00 H new ATOM 258 N PHE A 16 -0.233 -8.101 -5.902 1.00 0.00 N ATOM 259 CA PHE A 16 -0.537 -8.134 -4.488 1.00 0.00 C ATOM 260 C PHE A 16 -2.005 -7.881 -4.264 1.00 0.00 C ATOM 261 O PHE A 16 -2.742 -7.551 -5.184 1.00 0.00 O ATOM 262 CB PHE A 16 0.274 -7.114 -3.705 1.00 0.00 C ATOM 263 CG PHE A 16 1.752 -7.213 -3.941 1.00 0.00 C ATOM 264 CD1 PHE A 16 2.519 -8.123 -3.231 1.00 0.00 C ATOM 265 CD2 PHE A 16 2.373 -6.402 -4.876 1.00 0.00 C ATOM 266 CE1 PHE A 16 3.880 -8.221 -3.449 1.00 0.00 C ATOM 267 CE2 PHE A 16 3.734 -6.494 -5.097 1.00 0.00 C ATOM 268 CZ PHE A 16 4.489 -7.405 -4.383 1.00 0.00 C ATOM 0 H PHE A 16 -0.945 -7.640 -6.468 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.271 -9.127 -4.126 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.062 -6.112 -3.973 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.075 -7.243 -2.641 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.048 -8.763 -2.499 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.787 -5.690 -5.439 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.467 -8.935 -2.890 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.207 -5.854 -5.827 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.553 -7.479 -4.555 1.00 0.00 H new ATOM 278 N ASP A 17 -2.408 -8.013 -3.022 1.00 0.00 N ATOM 279 CA ASP A 17 -3.778 -7.781 -2.617 1.00 0.00 C ATOM 280 C ASP A 17 -4.053 -8.543 -1.362 1.00 0.00 C ATOM 281 O ASP A 17 -4.712 -8.055 -0.451 1.00 0.00 O ATOM 282 CB ASP A 17 -4.780 -8.188 -3.687 1.00 0.00 C ATOM 283 CG ASP A 17 -5.282 -7.005 -4.494 1.00 0.00 C ATOM 284 OD1 ASP A 17 -4.584 -5.969 -4.526 1.00 0.00 O ATOM 285 OD2 ASP A 17 -6.372 -7.115 -5.094 1.00 0.00 O ATOM 0 H ASP A 17 -1.791 -8.286 -2.257 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.897 -6.710 -2.454 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.316 -8.911 -4.358 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.627 -8.688 -3.216 1.00 0.00 H new ATOM 290 N GLU A 18 -3.528 -9.745 -1.300 1.00 0.00 N ATOM 291 CA GLU A 18 -3.729 -10.547 -0.122 1.00 0.00 C ATOM 292 C GLU A 18 -3.436 -9.701 1.118 1.00 0.00 C ATOM 293 O GLU A 18 -4.327 -9.416 1.928 1.00 0.00 O ATOM 294 CB GLU A 18 -2.835 -11.788 -0.147 1.00 0.00 C ATOM 295 CG GLU A 18 -2.962 -12.654 1.096 1.00 0.00 C ATOM 296 CD GLU A 18 -1.621 -13.154 1.598 1.00 0.00 C ATOM 297 OE1 GLU A 18 -1.574 -14.274 2.150 1.00 0.00 O ATOM 298 OE2 GLU A 18 -0.618 -12.427 1.438 1.00 0.00 O ATOM 0 H GLU A 18 -2.971 -10.179 -2.036 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.765 -10.885 -0.095 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.083 -12.387 -1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.797 -11.475 -0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.451 -12.082 1.885 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.604 -13.507 0.876 1.00 0.00 H new ATOM 305 N ASP A 19 -2.184 -9.270 1.236 1.00 0.00 N ATOM 306 CA ASP A 19 -1.769 -8.442 2.361 1.00 0.00 C ATOM 307 C ASP A 19 -2.043 -6.967 2.105 1.00 0.00 C ATOM 308 O ASP A 19 -2.584 -6.277 2.967 1.00 0.00 O ATOM 309 CB ASP A 19 -0.284 -8.654 2.660 1.00 0.00 C ATOM 310 CG ASP A 19 -0.020 -8.897 4.133 1.00 0.00 C ATOM 311 OD1 ASP A 19 0.081 -7.908 4.889 1.00 0.00 O ATOM 312 OD2 ASP A 19 0.083 -10.076 4.531 1.00 0.00 O ATOM 0 H ASP A 19 -1.442 -9.480 0.568 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.357 -8.747 3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.082 -9.503 2.083 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.278 -7.780 2.332 1.00 0.00 H new ATOM 317 N VAL A 20 -1.665 -6.478 0.929 1.00 0.00 N ATOM 318 CA VAL A 20 -1.881 -5.077 0.607 1.00 0.00 C ATOM 319 C VAL A 20 -3.370 -4.740 0.609 1.00 0.00 C ATOM 320 O VAL A 20 -3.769 -3.722 1.164 1.00 0.00 O ATOM 321 CB VAL A 20 -1.248 -4.681 -0.744 1.00 0.00 C ATOM 322 CG1 VAL A 20 0.202 -5.129 -0.801 1.00 0.00 C ATOM 323 CG2 VAL A 20 -2.027 -5.267 -1.904 1.00 0.00 C ATOM 0 H VAL A 20 -1.214 -7.023 0.194 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.384 -4.497 1.385 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.283 -3.595 -0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.634 -4.842 -1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.761 -4.655 0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.253 -6.212 -0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.559 -4.972 -2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.032 -6.354 -1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.052 -4.897 -1.878 1.00 0.00 H new ATOM 333 N TYR A 21 -4.196 -5.600 0.008 1.00 0.00 N ATOM 334 CA TYR A 21 -5.635 -5.354 -0.016 1.00 0.00 C ATOM 335 C TYR A 21 -6.203 -5.425 1.396 1.00 0.00 C ATOM 336 O TYR A 21 -6.985 -4.562 1.794 1.00 0.00 O ATOM 337 CB TYR A 21 -6.378 -6.333 -0.937 1.00 0.00 C ATOM 338 CG TYR A 21 -7.662 -5.771 -1.504 1.00 0.00 C ATOM 339 CD1 TYR A 21 -7.652 -4.972 -2.641 1.00 0.00 C ATOM 340 CD2 TYR A 21 -8.884 -6.040 -0.902 1.00 0.00 C ATOM 341 CE1 TYR A 21 -8.824 -4.457 -3.161 1.00 0.00 C ATOM 342 CE2 TYR A 21 -10.061 -5.529 -1.416 1.00 0.00 C ATOM 343 CZ TYR A 21 -10.025 -4.737 -2.546 1.00 0.00 C ATOM 344 OH TYR A 21 -11.194 -4.227 -3.061 1.00 0.00 O ATOM 0 H TYR A 21 -3.898 -6.456 -0.459 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.786 -4.353 -0.419 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.721 -6.616 -1.759 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.603 -7.243 -0.381 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.713 -4.750 -3.126 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.915 -6.659 -0.017 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.799 -3.838 -4.045 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.003 -5.748 -0.936 1.00 0.00 H new ATOM 0 HH TYR A 21 -11.950 -4.520 -2.510 1.00 0.00 H new ATOM 354 N HIS A 22 -5.804 -6.442 2.168 1.00 0.00 N ATOM 355 CA HIS A 22 -6.296 -6.559 3.535 1.00 0.00 C ATOM 356 C HIS A 22 -5.754 -5.419 4.387 1.00 0.00 C ATOM 357 O HIS A 22 -6.490 -4.810 5.162 1.00 0.00 O ATOM 358 CB HIS A 22 -5.906 -7.908 4.139 1.00 0.00 C ATOM 359 CG HIS A 22 -6.423 -8.113 5.529 1.00 0.00 C ATOM 360 ND1 HIS A 22 -6.192 -7.423 6.672 1.00 0.00 N flip ATOM 361 CD2 HIS A 22 -7.292 -9.130 5.868 1.00 0.00 C flip ATOM 362 CE1 HIS A 22 -6.916 -8.031 7.668 1.00 0.00 C flip ATOM 363 NE2 HIS A 22 -7.571 -9.057 7.158 1.00 0.00 N flip ATOM 0 H HIS A 22 -5.159 -7.176 1.875 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.384 -6.497 3.516 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -6.282 -8.706 3.499 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.819 -7.992 4.148 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.683 -9.870 5.186 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.945 -7.720 8.702 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -8.188 -9.686 7.672 1.00 0.00 H new ATOM 372 N THR A 23 -4.469 -5.116 4.227 1.00 0.00 N ATOM 373 CA THR A 23 -3.857 -4.028 4.977 1.00 0.00 C ATOM 374 C THR A 23 -4.470 -2.701 4.553 1.00 0.00 C ATOM 375 O THR A 23 -4.806 -1.861 5.388 1.00 0.00 O ATOM 376 CB THR A 23 -2.350 -3.989 4.767 1.00 0.00 C ATOM 377 OG1 THR A 23 -2.036 -3.877 3.391 1.00 0.00 O ATOM 378 CG2 THR A 23 -1.634 -5.208 5.309 1.00 0.00 C ATOM 0 H THR A 23 -3.838 -5.604 3.591 1.00 0.00 H new ATOM 0 HA THR A 23 -4.047 -4.199 6.037 1.00 0.00 H new ATOM 0 HB THR A 23 -2.006 -3.115 5.320 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.234 -4.724 2.940 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.564 -5.113 5.125 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.812 -5.288 6.381 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.010 -6.102 4.811 1.00 0.00 H new ATOM 386 N LEU A 24 -4.644 -2.528 3.244 1.00 0.00 N ATOM 387 CA LEU A 24 -5.251 -1.313 2.717 1.00 0.00 C ATOM 388 C LEU A 24 -6.622 -1.107 3.350 1.00 0.00 C ATOM 389 O LEU A 24 -7.169 -0.007 3.323 1.00 0.00 O ATOM 390 CB LEU A 24 -5.387 -1.383 1.191 1.00 0.00 C ATOM 391 CG LEU A 24 -4.340 -0.585 0.405 1.00 0.00 C ATOM 392 CD1 LEU A 24 -4.217 0.828 0.951 1.00 0.00 C ATOM 393 CD2 LEU A 24 -2.990 -1.287 0.439 1.00 0.00 C ATOM 0 H LEU A 24 -4.374 -3.210 2.535 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.604 -0.471 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.330 -2.427 0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.378 -1.023 0.914 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.671 -0.525 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.469 1.376 0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.179 1.335 0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.915 0.789 1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.262 -0.703 -0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.656 -1.383 1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.084 -2.278 -0.006 1.00 0.00 H new ATOM 405 N LYS A 25 -7.175 -2.180 3.911 1.00 0.00 N ATOM 406 CA LYS A 25 -8.481 -2.122 4.538 1.00 0.00 C ATOM 407 C LYS A 25 -8.480 -1.244 5.785 1.00 0.00 C ATOM 408 O LYS A 25 -9.365 -0.404 5.950 1.00 0.00 O ATOM 409 CB LYS A 25 -8.974 -3.528 4.885 1.00 0.00 C ATOM 410 CG LYS A 25 -10.460 -3.593 5.195 1.00 0.00 C ATOM 411 CD LYS A 25 -11.294 -3.006 4.067 1.00 0.00 C ATOM 412 CE LYS A 25 -11.800 -1.613 4.410 1.00 0.00 C ATOM 413 NZ LYS A 25 -11.499 -0.631 3.331 1.00 0.00 N ATOM 0 H LYS A 25 -6.733 -3.099 3.941 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.163 -1.671 3.817 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.756 -4.196 4.052 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.416 -3.898 5.745 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.752 -4.630 5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.664 -3.051 6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.696 -2.962 3.157 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.141 -3.661 3.861 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.876 -1.649 4.578 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.343 -1.280 5.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.080 0.225 3.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.829 -1.052 2.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.378 -0.380 2.835 1.00 0.00 H new ATOM 427 N LEU A 26 -7.494 -1.422 6.663 1.00 0.00 N ATOM 428 CA LEU A 26 -7.440 -0.605 7.872 1.00 0.00 C ATOM 429 C LEU A 26 -7.045 0.813 7.509 1.00 0.00 C ATOM 430 O LEU A 26 -7.658 1.776 7.959 1.00 0.00 O ATOM 431 CB LEU A 26 -6.474 -1.163 8.922 1.00 0.00 C ATOM 432 CG LEU A 26 -6.192 -2.656 8.828 1.00 0.00 C ATOM 433 CD1 LEU A 26 -5.062 -2.895 7.851 1.00 0.00 C ATOM 434 CD2 LEU A 26 -5.855 -3.225 10.199 1.00 0.00 C ATOM 0 H LEU A 26 -6.742 -2.104 6.565 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.435 -0.618 8.317 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.528 -0.627 8.841 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.878 -0.949 9.912 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.084 -3.168 8.467 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.860 -3.964 7.783 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.344 -2.516 6.869 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.167 -2.377 8.196 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.657 -4.293 10.111 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.972 -2.723 10.594 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.695 -3.067 10.875 1.00 0.00 H new ATOM 446 N VAL A 27 -6.023 0.926 6.675 1.00 0.00 N ATOM 447 CA VAL A 27 -5.546 2.228 6.227 1.00 0.00 C ATOM 448 C VAL A 27 -6.622 2.961 5.453 1.00 0.00 C ATOM 449 O VAL A 27 -6.816 4.159 5.635 1.00 0.00 O ATOM 450 CB VAL A 27 -4.298 2.124 5.334 1.00 0.00 C ATOM 451 CG1 VAL A 27 -3.040 2.480 6.102 1.00 0.00 C ATOM 452 CG2 VAL A 27 -4.181 0.754 4.747 1.00 0.00 C ATOM 0 H VAL A 27 -5.507 0.133 6.294 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.285 2.778 7.131 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.411 2.842 4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.176 2.397 5.443 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.117 3.502 6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.922 1.797 6.943 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.292 0.702 4.119 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.102 0.020 5.549 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.064 0.540 4.145 1.00 0.00 H new ATOM 462 N SER A 28 -7.313 2.253 4.575 1.00 0.00 N ATOM 463 CA SER A 28 -8.344 2.892 3.784 1.00 0.00 C ATOM 464 C SER A 28 -9.477 3.399 4.665 1.00 0.00 C ATOM 465 O SER A 28 -10.048 4.460 4.407 1.00 0.00 O ATOM 466 CB SER A 28 -8.886 1.945 2.712 1.00 0.00 C ATOM 467 OG SER A 28 -10.017 2.501 2.064 1.00 0.00 O ATOM 0 H SER A 28 -7.182 1.257 4.396 1.00 0.00 H new ATOM 0 HA SER A 28 -7.889 3.748 3.285 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.107 1.738 1.978 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.156 0.992 3.167 1.00 0.00 H new ATOM 0 HG SER A 28 -9.756 3.322 1.597 1.00 0.00 H new ATOM 473 N VAL A 29 -9.792 2.642 5.710 1.00 0.00 N ATOM 474 CA VAL A 29 -10.847 3.016 6.633 1.00 0.00 C ATOM 475 C VAL A 29 -10.343 4.066 7.614 1.00 0.00 C ATOM 476 O VAL A 29 -11.000 5.077 7.862 1.00 0.00 O ATOM 477 CB VAL A 29 -11.362 1.770 7.393 1.00 0.00 C ATOM 478 CG1 VAL A 29 -11.084 1.855 8.887 1.00 0.00 C ATOM 479 CG2 VAL A 29 -12.844 1.555 7.130 1.00 0.00 C ATOM 0 H VAL A 29 -9.327 1.763 5.936 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.674 3.441 6.064 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.812 0.909 7.013 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -11.463 0.959 9.379 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.010 1.934 9.053 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.580 2.733 9.300 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.186 0.674 7.673 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.403 2.428 7.465 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.006 1.408 6.062 1.00 0.00 H new ATOM 489 N TYR A 30 -9.170 3.803 8.173 1.00 0.00 N ATOM 490 CA TYR A 30 -8.561 4.708 9.139 1.00 0.00 C ATOM 491 C TYR A 30 -8.047 5.977 8.470 1.00 0.00 C ATOM 492 O TYR A 30 -7.935 7.017 9.117 1.00 0.00 O ATOM 493 CB TYR A 30 -7.416 4.016 9.882 1.00 0.00 C ATOM 494 CG TYR A 30 -7.864 3.230 11.093 1.00 0.00 C ATOM 495 CD1 TYR A 30 -8.210 3.876 12.274 1.00 0.00 C ATOM 496 CD2 TYR A 30 -7.940 1.844 11.059 1.00 0.00 C ATOM 497 CE1 TYR A 30 -8.619 3.162 13.385 1.00 0.00 C ATOM 498 CE2 TYR A 30 -8.349 1.123 12.164 1.00 0.00 C ATOM 499 CZ TYR A 30 -8.687 1.787 13.324 1.00 0.00 C ATOM 500 OH TYR A 30 -9.094 1.073 14.428 1.00 0.00 O ATOM 0 H TYR A 30 -8.619 2.968 7.974 1.00 0.00 H new ATOM 0 HA TYR A 30 -9.335 4.987 9.854 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.902 3.345 9.194 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -6.691 4.768 10.195 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.159 4.954 12.325 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.675 1.320 10.152 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -8.884 3.679 14.296 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -8.404 0.045 12.119 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.088 0.116 14.219 1.00 0.00 H new ATOM 510 N LEU A 31 -7.728 5.902 7.177 1.00 0.00 N ATOM 511 CA LEU A 31 -7.226 7.070 6.470 1.00 0.00 C ATOM 512 C LEU A 31 -8.289 7.635 5.530 1.00 0.00 C ATOM 513 O LEU A 31 -8.087 8.680 4.913 1.00 0.00 O ATOM 514 CB LEU A 31 -5.955 6.726 5.677 1.00 0.00 C ATOM 515 CG LEU A 31 -4.869 5.913 6.416 1.00 0.00 C ATOM 516 CD1 LEU A 31 -3.492 6.491 6.130 1.00 0.00 C ATOM 517 CD2 LEU A 31 -5.111 5.864 7.920 1.00 0.00 C ATOM 0 H LEU A 31 -7.808 5.058 6.610 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.979 7.827 7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.250 6.168 4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.506 7.658 5.334 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.920 4.891 6.041 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.736 5.909 6.657 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.297 6.453 5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.454 7.526 6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.322 5.282 8.397 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.108 6.877 8.322 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.076 5.398 8.118 1.00 0.00 H new ATOM 529 N ASN A 32 -9.422 6.939 5.419 1.00 0.00 N ATOM 530 CA ASN A 32 -10.501 7.380 4.545 1.00 0.00 C ATOM 531 C ASN A 32 -9.981 7.564 3.125 1.00 0.00 C ATOM 532 O ASN A 32 -10.437 8.440 2.391 1.00 0.00 O ATOM 533 CB ASN A 32 -11.102 8.691 5.058 1.00 0.00 C ATOM 534 CG ASN A 32 -12.607 8.743 4.884 1.00 0.00 C ATOM 535 OD1 ASN A 32 -13.351 8.079 5.607 1.00 0.00 O ATOM 536 ND2 ASN A 32 -13.064 9.536 3.922 1.00 0.00 N ATOM 0 H ASN A 32 -9.612 6.072 5.922 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.280 6.618 4.542 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.856 8.812 6.113 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.648 9.528 4.527 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.068 9.613 3.758 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.411 10.068 3.347 1.00 0.00 H new ATOM 543 N ARG A 33 -9.011 6.734 2.756 1.00 0.00 N ATOM 544 CA ARG A 33 -8.408 6.805 1.429 1.00 0.00 C ATOM 545 C ARG A 33 -8.466 5.455 0.725 1.00 0.00 C ATOM 546 O ARG A 33 -8.201 4.418 1.331 1.00 0.00 O ATOM 547 CB ARG A 33 -6.952 7.262 1.540 1.00 0.00 C ATOM 548 CG ARG A 33 -6.788 8.617 2.209 1.00 0.00 C ATOM 549 CD ARG A 33 -5.585 9.372 1.667 1.00 0.00 C ATOM 550 NE ARG A 33 -4.750 9.907 2.742 1.00 0.00 N ATOM 551 CZ ARG A 33 -3.567 9.402 3.094 1.00 0.00 C ATOM 552 NH1 ARG A 33 -3.054 8.363 2.448 1.00 0.00 N ATOM 553 NH2 ARG A 33 -2.891 9.946 4.097 1.00 0.00 N ATOM 0 H ARG A 33 -8.626 6.005 3.356 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.975 7.526 0.840 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.388 6.518 2.103 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.516 7.304 0.542 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.689 9.210 2.054 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.677 8.480 3.285 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.990 8.707 1.041 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.925 10.189 1.030 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.095 10.718 3.255 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.565 7.941 1.673 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.148 7.986 2.727 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.276 10.748 4.596 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.986 9.563 4.369 1.00 0.00 H new ATOM 567 N ASP A 34 -8.794 5.473 -0.561 1.00 0.00 N ATOM 568 CA ASP A 34 -8.861 4.244 -1.340 1.00 0.00 C ATOM 569 C ASP A 34 -7.525 3.519 -1.280 1.00 0.00 C ATOM 570 O ASP A 34 -6.510 4.109 -0.907 1.00 0.00 O ATOM 571 CB ASP A 34 -9.232 4.547 -2.793 1.00 0.00 C ATOM 572 CG ASP A 34 -9.484 3.289 -3.600 1.00 0.00 C ATOM 573 OD1 ASP A 34 -10.655 2.862 -3.686 1.00 0.00 O ATOM 574 OD2 ASP A 34 -8.511 2.729 -4.147 1.00 0.00 O ATOM 0 H ASP A 34 -9.017 6.320 -1.084 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.634 3.604 -0.914 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -10.124 5.174 -2.814 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.429 5.119 -3.258 1.00 0.00 H new ATOM 579 N MET A 35 -7.520 2.242 -1.639 1.00 0.00 N ATOM 580 CA MET A 35 -6.298 1.463 -1.611 1.00 0.00 C ATOM 581 C MET A 35 -5.223 2.125 -2.471 1.00 0.00 C ATOM 582 O MET A 35 -4.115 2.390 -2.004 1.00 0.00 O ATOM 583 CB MET A 35 -6.578 0.034 -2.083 1.00 0.00 C ATOM 584 CG MET A 35 -5.545 -0.495 -3.054 1.00 0.00 C ATOM 585 SD MET A 35 -5.739 -2.254 -3.398 1.00 0.00 S ATOM 586 CE MET A 35 -4.586 -2.959 -2.222 1.00 0.00 C ATOM 0 H MET A 35 -8.345 1.730 -1.951 1.00 0.00 H new ATOM 0 HA MET A 35 -5.927 1.420 -0.587 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.620 -0.625 -1.216 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.560 0.002 -2.556 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.613 0.062 -3.988 1.00 0.00 H new ATOM 0 HG3 MET A 35 -4.549 -0.317 -2.649 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.631 -4.047 -2.276 1.00 0.00 H new ATOM 0 HE2 MET A 35 -3.576 -2.625 -2.458 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.849 -2.634 -1.215 1.00 0.00 H new ATOM 596 N THR A 36 -5.562 2.393 -3.728 1.00 0.00 N ATOM 597 CA THR A 36 -4.627 3.029 -4.647 1.00 0.00 C ATOM 598 C THR A 36 -4.260 4.425 -4.153 1.00 0.00 C ATOM 599 O THR A 36 -3.164 4.919 -4.419 1.00 0.00 O ATOM 600 CB THR A 36 -5.227 3.104 -6.054 1.00 0.00 C ATOM 601 OG1 THR A 36 -6.122 2.028 -6.275 1.00 0.00 O ATOM 602 CG2 THR A 36 -4.193 3.070 -7.161 1.00 0.00 C ATOM 0 H THR A 36 -6.474 2.180 -4.132 1.00 0.00 H new ATOM 0 HA THR A 36 -3.720 2.426 -4.688 1.00 0.00 H new ATOM 0 HB THR A 36 -5.739 4.065 -6.091 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.496 2.094 -7.178 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.693 3.127 -8.128 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.516 3.917 -7.052 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.625 2.141 -7.100 1.00 0.00 H new ATOM 610 N GLU A 37 -5.179 5.049 -3.422 1.00 0.00 N ATOM 611 CA GLU A 37 -4.944 6.380 -2.878 1.00 0.00 C ATOM 612 C GLU A 37 -3.974 6.304 -1.704 1.00 0.00 C ATOM 613 O GLU A 37 -3.110 7.164 -1.541 1.00 0.00 O ATOM 614 CB GLU A 37 -6.263 7.013 -2.430 1.00 0.00 C ATOM 615 CG GLU A 37 -6.311 8.520 -2.623 1.00 0.00 C ATOM 616 CD GLU A 37 -7.207 8.933 -3.774 1.00 0.00 C ATOM 617 OE1 GLU A 37 -8.380 9.276 -3.519 1.00 0.00 O ATOM 618 OE2 GLU A 37 -6.735 8.912 -4.931 1.00 0.00 O ATOM 0 H GLU A 37 -6.091 4.654 -3.194 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.506 7.002 -3.658 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.082 6.558 -2.986 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.427 6.785 -1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.666 8.989 -1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.302 8.892 -2.802 1.00 0.00 H new ATOM 625 N ILE A 38 -4.121 5.258 -0.896 1.00 0.00 N ATOM 626 CA ILE A 38 -3.257 5.049 0.260 1.00 0.00 C ATOM 627 C ILE A 38 -1.863 4.624 -0.184 1.00 0.00 C ATOM 628 O ILE A 38 -0.867 5.204 0.240 1.00 0.00 O ATOM 629 CB ILE A 38 -3.839 3.970 1.203 1.00 0.00 C ATOM 630 CG1 ILE A 38 -4.817 4.574 2.215 1.00 0.00 C ATOM 631 CG2 ILE A 38 -2.737 3.240 1.949 1.00 0.00 C ATOM 632 CD1 ILE A 38 -4.248 5.760 2.964 1.00 0.00 C ATOM 0 H ILE A 38 -4.834 4.539 -1.022 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.196 5.995 0.799 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.377 3.261 0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.723 4.883 1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.108 3.806 2.932 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.177 2.488 2.604 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.073 2.754 1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.168 3.953 2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.992 6.139 3.664 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.358 5.451 3.512 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.983 6.545 2.255 1.00 0.00 H new ATOM 644 N ILE A 39 -1.796 3.603 -1.039 1.00 0.00 N ATOM 645 CA ILE A 39 -0.513 3.115 -1.527 1.00 0.00 C ATOM 646 C ILE A 39 0.239 4.233 -2.224 1.00 0.00 C ATOM 647 O ILE A 39 1.461 4.344 -2.113 1.00 0.00 O ATOM 648 CB ILE A 39 -0.692 1.951 -2.515 1.00 0.00 C ATOM 649 CG1 ILE A 39 -1.571 2.396 -3.679 1.00 0.00 C ATOM 650 CG2 ILE A 39 -1.295 0.744 -1.812 1.00 0.00 C ATOM 651 CD1 ILE A 39 -0.795 2.963 -4.848 1.00 0.00 C ATOM 0 H ILE A 39 -2.608 3.104 -1.403 1.00 0.00 H new ATOM 0 HA ILE A 39 0.051 2.761 -0.664 1.00 0.00 H new ATOM 0 HB ILE A 39 0.284 1.660 -2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.159 1.546 -4.024 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.275 3.148 -3.323 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.415 -0.071 -2.526 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.635 0.425 -1.005 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.268 1.011 -1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.488 3.257 -5.636 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.228 3.834 -4.520 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.110 2.207 -5.231 1.00 0.00 H new ATOM 663 N GLU A 40 -0.507 5.066 -2.937 1.00 0.00 N ATOM 664 CA GLU A 40 0.080 6.184 -3.648 1.00 0.00 C ATOM 665 C GLU A 40 0.417 7.302 -2.674 1.00 0.00 C ATOM 666 O GLU A 40 1.326 8.095 -2.919 1.00 0.00 O ATOM 667 CB GLU A 40 -0.867 6.697 -4.735 1.00 0.00 C ATOM 668 CG GLU A 40 -0.193 7.612 -5.745 1.00 0.00 C ATOM 669 CD GLU A 40 -1.064 8.791 -6.133 1.00 0.00 C ATOM 670 OE1 GLU A 40 -1.870 9.238 -5.289 1.00 0.00 O ATOM 671 OE2 GLU A 40 -0.939 9.269 -7.281 1.00 0.00 O ATOM 0 H GLU A 40 -1.519 4.985 -3.036 1.00 0.00 H new ATOM 0 HA GLU A 40 0.997 5.842 -4.129 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.300 5.845 -5.260 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.691 7.233 -4.264 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.745 7.979 -5.328 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.057 7.040 -6.638 1.00 0.00 H new ATOM 678 N GLU A 41 -0.300 7.353 -1.554 1.00 0.00 N ATOM 679 CA GLU A 41 -0.030 8.371 -0.549 1.00 0.00 C ATOM 680 C GLU A 41 1.098 7.907 0.363 1.00 0.00 C ATOM 681 O GLU A 41 1.871 8.716 0.880 1.00 0.00 O ATOM 682 CB GLU A 41 -1.286 8.675 0.270 1.00 0.00 C ATOM 683 CG GLU A 41 -2.037 9.908 -0.202 1.00 0.00 C ATOM 684 CD GLU A 41 -2.448 9.821 -1.659 1.00 0.00 C ATOM 685 OE1 GLU A 41 -3.632 10.085 -1.959 1.00 0.00 O ATOM 686 OE2 GLU A 41 -1.586 9.490 -2.501 1.00 0.00 O ATOM 0 H GLU A 41 -1.059 6.712 -1.324 1.00 0.00 H new ATOM 0 HA GLU A 41 0.273 9.288 -1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.954 7.815 0.228 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.005 8.809 1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.926 10.045 0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.410 10.788 -0.058 1.00 0.00 H new ATOM 693 N ALA A 42 1.191 6.593 0.543 1.00 0.00 N ATOM 694 CA ALA A 42 2.227 6.009 1.381 1.00 0.00 C ATOM 695 C ALA A 42 3.559 5.986 0.648 1.00 0.00 C ATOM 696 O ALA A 42 4.601 6.304 1.221 1.00 0.00 O ATOM 697 CB ALA A 42 1.832 4.602 1.805 1.00 0.00 C ATOM 0 H ALA A 42 0.560 5.914 0.118 1.00 0.00 H new ATOM 0 HA ALA A 42 2.337 6.625 2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.616 4.177 2.431 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.899 4.640 2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.697 3.980 0.920 1.00 0.00 H new ATOM 703 N VAL A 43 3.518 5.612 -0.629 1.00 0.00 N ATOM 704 CA VAL A 43 4.724 5.554 -1.446 1.00 0.00 C ATOM 705 C VAL A 43 5.507 6.847 -1.344 1.00 0.00 C ATOM 706 O VAL A 43 6.646 6.871 -0.881 1.00 0.00 O ATOM 707 CB VAL A 43 4.391 5.302 -2.938 1.00 0.00 C ATOM 708 CG1 VAL A 43 3.260 6.184 -3.414 1.00 0.00 C ATOM 709 CG2 VAL A 43 5.609 5.525 -3.812 1.00 0.00 C ATOM 0 H VAL A 43 2.663 5.345 -1.118 1.00 0.00 H new ATOM 0 HA VAL A 43 5.320 4.725 -1.065 1.00 0.00 H new ATOM 0 HB VAL A 43 4.076 4.262 -3.021 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.056 5.978 -4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.367 5.980 -2.824 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.541 7.231 -3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.348 5.341 -4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.954 6.553 -3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.403 4.841 -3.511 1.00 0.00 H new ATOM 719 N VAL A 44 4.874 7.914 -1.782 1.00 0.00 N ATOM 720 CA VAL A 44 5.476 9.229 -1.755 1.00 0.00 C ATOM 721 C VAL A 44 5.913 9.582 -0.345 1.00 0.00 C ATOM 722 O VAL A 44 7.055 9.967 -0.112 1.00 0.00 O ATOM 723 CB VAL A 44 4.486 10.282 -2.288 1.00 0.00 C ATOM 724 CG1 VAL A 44 4.540 11.579 -1.482 1.00 0.00 C ATOM 725 CG2 VAL A 44 4.731 10.553 -3.763 1.00 0.00 C ATOM 0 H VAL A 44 3.929 7.894 -2.166 1.00 0.00 H new ATOM 0 HA VAL A 44 6.356 9.221 -2.399 1.00 0.00 H new ATOM 0 HB VAL A 44 3.483 9.871 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.826 12.293 -1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.288 11.372 -0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.544 11.999 -1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.021 11.300 -4.119 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.747 10.924 -3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.601 9.630 -4.329 1.00 0.00 H new ATOM 735 N MET A 45 4.993 9.443 0.596 1.00 0.00 N ATOM 736 CA MET A 45 5.286 9.745 1.984 1.00 0.00 C ATOM 737 C MET A 45 6.468 8.924 2.481 1.00 0.00 C ATOM 738 O MET A 45 7.226 9.377 3.338 1.00 0.00 O ATOM 739 CB MET A 45 4.062 9.492 2.863 1.00 0.00 C ATOM 740 CG MET A 45 4.213 10.026 4.277 1.00 0.00 C ATOM 741 SD MET A 45 4.644 11.779 4.316 1.00 0.00 S ATOM 742 CE MET A 45 5.960 11.780 5.532 1.00 0.00 C ATOM 0 H MET A 45 4.040 9.124 0.423 1.00 0.00 H new ATOM 0 HA MET A 45 5.548 10.801 2.048 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.190 9.953 2.400 1.00 0.00 H new ATOM 0 HB3 MET A 45 3.870 8.420 2.906 1.00 0.00 H new ATOM 0 HG2 MET A 45 3.281 9.873 4.821 1.00 0.00 H new ATOM 0 HG3 MET A 45 4.982 9.455 4.797 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.612 12.636 5.361 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.531 11.844 6.532 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.538 10.860 5.443 1.00 0.00 H new ATOM 752 N TRP A 46 6.637 7.718 1.937 1.00 0.00 N ATOM 753 CA TRP A 46 7.747 6.872 2.344 1.00 0.00 C ATOM 754 C TRP A 46 9.051 7.436 1.806 1.00 0.00 C ATOM 755 O TRP A 46 9.993 7.666 2.560 1.00 0.00 O ATOM 756 CB TRP A 46 7.548 5.433 1.865 1.00 0.00 C ATOM 757 CG TRP A 46 8.707 4.535 2.181 1.00 0.00 C ATOM 758 CD1 TRP A 46 9.345 3.687 1.322 1.00 0.00 C ATOM 759 CD2 TRP A 46 9.368 4.400 3.444 1.00 0.00 C ATOM 760 NE1 TRP A 46 10.361 3.033 1.974 1.00 0.00 N ATOM 761 CE2 TRP A 46 10.396 3.453 3.278 1.00 0.00 C ATOM 762 CE3 TRP A 46 9.190 4.987 4.701 1.00 0.00 C ATOM 763 CZ2 TRP A 46 11.242 3.081 4.320 1.00 0.00 C ATOM 764 CZ3 TRP A 46 10.030 4.617 5.733 1.00 0.00 C ATOM 765 CH2 TRP A 46 11.045 3.672 5.538 1.00 0.00 C ATOM 0 H TRP A 46 6.028 7.315 1.225 1.00 0.00 H new ATOM 0 HA TRP A 46 7.788 6.858 3.433 1.00 0.00 H new ATOM 0 HB2 TRP A 46 6.647 5.026 2.324 1.00 0.00 H new ATOM 0 HB3 TRP A 46 7.383 5.436 0.788 1.00 0.00 H new ATOM 0 HD1 TRP A 46 9.088 3.551 0.282 1.00 0.00 H new ATOM 0 HE1 TRP A 46 10.988 2.346 1.556 1.00 0.00 H new ATOM 0 HE3 TRP A 46 8.410 5.716 4.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 12.025 2.352 4.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 9.902 5.064 6.708 1.00 0.00 H new ATOM 0 HH2 TRP A 46 11.685 3.404 6.366 1.00 0.00 H new ATOM 776 N LEU A 47 9.097 7.680 0.503 1.00 0.00 N ATOM 777 CA LEU A 47 10.289 8.248 -0.110 1.00 0.00 C ATOM 778 C LEU A 47 10.578 9.604 0.495 1.00 0.00 C ATOM 779 O LEU A 47 11.714 9.933 0.827 1.00 0.00 O ATOM 780 CB LEU A 47 10.124 8.433 -1.617 1.00 0.00 C ATOM 781 CG LEU A 47 8.718 8.782 -2.103 1.00 0.00 C ATOM 782 CD1 LEU A 47 8.602 10.283 -2.310 1.00 0.00 C ATOM 783 CD2 LEU A 47 8.390 8.036 -3.389 1.00 0.00 C ATOM 0 H LEU A 47 8.330 7.495 -0.144 1.00 0.00 H new ATOM 0 HA LEU A 47 11.107 7.551 0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.804 9.220 -1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.440 7.514 -2.112 1.00 0.00 H new ATOM 0 HG LEU A 47 7.999 8.474 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.598 10.526 -2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.795 10.796 -1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.330 10.605 -3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.384 8.300 -3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.107 8.311 -4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.443 6.962 -3.210 1.00 0.00 H new ATOM 795 N ILE A 48 9.528 10.396 0.616 1.00 0.00 N ATOM 796 CA ILE A 48 9.643 11.725 1.153 1.00 0.00 C ATOM 797 C ILE A 48 10.278 11.714 2.534 1.00 0.00 C ATOM 798 O ILE A 48 11.191 12.492 2.810 1.00 0.00 O ATOM 799 CB ILE A 48 8.257 12.400 1.188 1.00 0.00 C ATOM 800 CG1 ILE A 48 8.226 13.542 0.187 1.00 0.00 C ATOM 801 CG2 ILE A 48 7.903 12.891 2.582 1.00 0.00 C ATOM 802 CD1 ILE A 48 8.174 13.088 -1.255 1.00 0.00 C ATOM 0 H ILE A 48 8.581 10.132 0.345 1.00 0.00 H new ATOM 0 HA ILE A 48 10.299 12.302 0.501 1.00 0.00 H new ATOM 0 HB ILE A 48 7.506 11.659 0.914 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.359 14.169 0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.110 14.163 0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.919 13.360 2.564 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.890 12.048 3.272 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.646 13.618 2.911 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.154 13.959 -1.910 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.054 12.486 -1.479 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.276 12.492 -1.417 1.00 0.00 H new ATOM 814 N GLN A 49 9.791 10.841 3.403 1.00 0.00 N ATOM 815 CA GLN A 49 10.327 10.763 4.747 1.00 0.00 C ATOM 816 C GLN A 49 11.575 9.882 4.812 1.00 0.00 C ATOM 817 O GLN A 49 12.406 10.040 5.707 1.00 0.00 O ATOM 818 CB GLN A 49 9.262 10.245 5.718 1.00 0.00 C ATOM 819 CG GLN A 49 9.025 8.744 5.628 1.00 0.00 C ATOM 820 CD GLN A 49 7.876 8.282 6.502 1.00 0.00 C ATOM 821 OE1 GLN A 49 6.730 8.687 6.305 1.00 0.00 O ATOM 822 NE2 GLN A 49 8.177 7.431 7.476 1.00 0.00 N ATOM 0 H GLN A 49 9.035 10.186 3.203 1.00 0.00 H new ATOM 0 HA GLN A 49 10.619 11.771 5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.560 10.496 6.736 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.323 10.764 5.523 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.820 8.474 4.592 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.934 8.218 5.921 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.141 7.122 7.603 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.445 7.087 8.097 1.00 0.00 H new ATOM 831 N ASN A 50 11.686 8.930 3.886 1.00 0.00 N ATOM 832 CA ASN A 50 12.821 8.006 3.881 1.00 0.00 C ATOM 833 C ASN A 50 13.925 8.415 2.910 1.00 0.00 C ATOM 834 O ASN A 50 15.061 8.648 3.314 1.00 0.00 O ATOM 835 CB ASN A 50 12.341 6.592 3.547 1.00 0.00 C ATOM 836 CG ASN A 50 13.356 5.532 3.930 1.00 0.00 C ATOM 837 OD1 ASN A 50 13.503 5.192 5.104 1.00 0.00 O ATOM 838 ND2 ASN A 50 14.063 5.003 2.939 1.00 0.00 N ATOM 0 H ASN A 50 11.011 8.778 3.136 1.00 0.00 H new ATOM 0 HA ASN A 50 13.251 8.035 4.882 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.403 6.397 4.067 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.134 6.524 2.479 1.00 0.00 H new ATOM 0 HD21 ASN A 50 14.760 4.285 3.137 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.909 5.314 1.980 1.00 0.00 H new ATOM 845 N LYS A 51 13.592 8.470 1.628 1.00 0.00 N ATOM 846 CA LYS A 51 14.565 8.819 0.593 1.00 0.00 C ATOM 847 C LYS A 51 15.254 10.150 0.878 1.00 0.00 C ATOM 848 O LYS A 51 16.481 10.243 0.840 1.00 0.00 O ATOM 849 CB LYS A 51 13.895 8.864 -0.781 1.00 0.00 C ATOM 850 CG LYS A 51 13.352 7.519 -1.236 1.00 0.00 C ATOM 851 CD LYS A 51 14.396 6.735 -2.013 1.00 0.00 C ATOM 852 CE LYS A 51 15.332 5.972 -1.086 1.00 0.00 C ATOM 853 NZ LYS A 51 16.746 6.415 -1.233 1.00 0.00 N ATOM 0 H LYS A 51 12.654 8.278 1.276 1.00 0.00 H new ATOM 0 HA LYS A 51 15.329 8.041 0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.079 9.586 -0.755 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.615 9.223 -1.516 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.032 6.942 -0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 51 12.471 7.672 -1.859 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.900 6.035 -2.685 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.976 7.418 -2.634 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.013 6.113 -0.053 1.00 0.00 H new ATOM 0 HE3 LYS A 51 15.262 4.905 -1.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 17.327 5.618 -1.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 16.797 7.189 -1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 17.103 6.748 -0.315 1.00 0.00 H new ATOM 867 N GLU A 52 14.462 11.182 1.151 1.00 0.00 N ATOM 868 CA GLU A 52 15.001 12.511 1.429 1.00 0.00 C ATOM 869 C GLU A 52 16.166 12.453 2.416 1.00 0.00 C ATOM 870 O GLU A 52 17.139 13.198 2.287 1.00 0.00 O ATOM 871 CB GLU A 52 13.904 13.424 1.978 1.00 0.00 C ATOM 872 CG GLU A 52 12.887 13.849 0.931 1.00 0.00 C ATOM 873 CD GLU A 52 12.221 15.168 1.268 1.00 0.00 C ATOM 874 OE1 GLU A 52 12.927 16.087 1.734 1.00 0.00 O ATOM 875 OE2 GLU A 52 10.994 15.282 1.066 1.00 0.00 O ATOM 0 H GLU A 52 13.444 11.125 1.186 1.00 0.00 H new ATOM 0 HA GLU A 52 15.375 12.916 0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.386 12.910 2.788 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.364 14.314 2.408 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.381 13.932 -0.037 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.125 13.075 0.835 1.00 0.00 H new ATOM 882 N LYS A 53 16.057 11.573 3.404 1.00 0.00 N ATOM 883 CA LYS A 53 17.097 11.428 4.418 1.00 0.00 C ATOM 884 C LYS A 53 17.578 9.983 4.528 1.00 0.00 C ATOM 885 O LYS A 53 18.004 9.551 5.597 1.00 0.00 O ATOM 886 CB LYS A 53 16.580 11.907 5.775 1.00 0.00 C ATOM 887 CG LYS A 53 15.210 11.353 6.133 1.00 0.00 C ATOM 888 CD LYS A 53 15.155 10.892 7.581 1.00 0.00 C ATOM 889 CE LYS A 53 15.571 9.436 7.718 1.00 0.00 C ATOM 890 NZ LYS A 53 15.376 8.931 9.105 1.00 0.00 N ATOM 0 H LYS A 53 15.260 10.949 3.526 1.00 0.00 H new ATOM 0 HA LYS A 53 17.944 12.043 4.113 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.293 11.620 6.548 1.00 0.00 H new ATOM 0 HB3 LYS A 53 16.533 12.996 5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 53 14.452 12.118 5.965 1.00 0.00 H new ATOM 0 HG3 LYS A 53 14.971 10.518 5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 53 15.810 11.517 8.188 1.00 0.00 H new ATOM 0 HD3 LYS A 53 14.144 11.020 7.967 1.00 0.00 H new ATOM 0 HE2 LYS A 53 14.992 8.826 7.025 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.619 9.330 7.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 15.671 7.935 9.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 15.948 9.496 9.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.372 9.008 9.365 1.00 0.00 H new ATOM 904 N LEU A 54 17.502 9.239 3.426 1.00 0.00 N ATOM 905 CA LEU A 54 17.922 7.837 3.413 1.00 0.00 C ATOM 906 C LEU A 54 19.354 7.683 3.923 1.00 0.00 C ATOM 907 O LEU A 54 20.312 7.939 3.192 1.00 0.00 O ATOM 908 CB LEU A 54 17.819 7.265 1.999 1.00 0.00 C ATOM 909 CG LEU A 54 18.241 5.797 1.860 1.00 0.00 C ATOM 910 CD1 LEU A 54 17.040 4.921 1.537 1.00 0.00 C ATOM 911 CD2 LEU A 54 19.312 5.647 0.789 1.00 0.00 C ATOM 0 H LEU A 54 17.154 9.582 2.531 1.00 0.00 H new ATOM 0 HA LEU A 54 17.257 7.286 4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 54 16.789 7.365 1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 54 18.436 7.869 1.333 1.00 0.00 H new ATOM 0 HG LEU A 54 18.658 5.471 2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 54 17.361 3.884 1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 54 16.305 5.002 2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.592 5.249 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 54 19.598 4.599 0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 54 18.921 5.994 -0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 54 20.185 6.241 1.061 1.00 0.00 H new ATOM 923 N PRO A 55 19.522 7.261 5.190 1.00 0.00 N ATOM 924 CA PRO A 55 20.838 7.073 5.800 1.00 0.00 C ATOM 925 C PRO A 55 21.509 5.783 5.342 1.00 0.00 C ATOM 926 O PRO A 55 20.844 4.856 4.878 1.00 0.00 O ATOM 927 CB PRO A 55 20.541 7.000 7.309 1.00 0.00 C ATOM 928 CG PRO A 55 19.078 7.274 7.456 1.00 0.00 C ATOM 929 CD PRO A 55 18.451 6.934 6.136 1.00 0.00 C ATOM 0 HA PRO A 55 21.522 7.875 5.525 1.00 0.00 H new ATOM 0 HB2 PRO A 55 20.796 6.019 7.710 1.00 0.00 H new ATOM 0 HB3 PRO A 55 21.132 7.732 7.859 1.00 0.00 H new ATOM 0 HG2 PRO A 55 18.648 6.672 8.257 1.00 0.00 H new ATOM 0 HG3 PRO A 55 18.902 8.319 7.712 1.00 0.00 H new ATOM 0 HD2 PRO A 55 18.165 5.884 6.080 1.00 0.00 H new ATOM 0 HD3 PRO A 55 17.551 7.520 5.950 1.00 0.00 H new ATOM 937 N ASN A 56 22.827 5.725 5.490 1.00 0.00 N ATOM 938 CA ASN A 56 23.585 4.541 5.107 1.00 0.00 C ATOM 939 C ASN A 56 23.389 3.426 6.132 1.00 0.00 C ATOM 940 O ASN A 56 23.545 2.246 5.820 1.00 0.00 O ATOM 941 CB ASN A 56 25.073 4.879 4.978 1.00 0.00 C ATOM 942 CG ASN A 56 25.695 4.282 3.731 1.00 0.00 C ATOM 943 OD1 ASN A 56 25.035 4.136 2.703 1.00 0.00 O ATOM 944 ND2 ASN A 56 26.973 3.930 3.818 1.00 0.00 N ATOM 0 H ASN A 56 23.392 6.483 5.872 1.00 0.00 H new ATOM 0 HA ASN A 56 23.217 4.196 4.141 1.00 0.00 H new ATOM 0 HB2 ASN A 56 25.197 5.962 4.960 1.00 0.00 H new ATOM 0 HB3 ASN A 56 25.604 4.512 5.857 1.00 0.00 H new ATOM 0 HD21 ASN A 56 27.445 3.520 3.012 1.00 0.00 H new ATOM 0 HD22 ASN A 56 27.482 4.069 4.691 1.00 0.00 H new ATOM 951 N GLU A 57 23.042 3.813 7.358 1.00 0.00 N ATOM 952 CA GLU A 57 22.820 2.852 8.433 1.00 0.00 C ATOM 953 C GLU A 57 21.431 2.226 8.337 1.00 0.00 C ATOM 954 O GLU A 57 21.172 1.179 8.932 1.00 0.00 O ATOM 955 CB GLU A 57 22.993 3.531 9.793 1.00 0.00 C ATOM 956 CG GLU A 57 22.150 4.786 9.957 1.00 0.00 C ATOM 957 CD GLU A 57 22.004 5.204 11.408 1.00 0.00 C ATOM 958 OE1 GLU A 57 21.175 4.599 12.119 1.00 0.00 O ATOM 959 OE2 GLU A 57 22.719 6.136 11.832 1.00 0.00 O ATOM 0 H GLU A 57 22.909 4.787 7.630 1.00 0.00 H new ATOM 0 HA GLU A 57 23.559 2.058 8.331 1.00 0.00 H new ATOM 0 HB2 GLU A 57 22.732 2.823 10.579 1.00 0.00 H new ATOM 0 HB3 GLU A 57 24.043 3.788 9.931 1.00 0.00 H new ATOM 0 HG2 GLU A 57 22.603 5.600 9.392 1.00 0.00 H new ATOM 0 HG3 GLU A 57 21.162 4.614 9.531 1.00 0.00 H new ATOM 966 N LEU A 58 20.537 2.868 7.586 1.00 0.00 N ATOM 967 CA LEU A 58 19.178 2.362 7.418 1.00 0.00 C ATOM 968 C LEU A 58 19.126 1.284 6.340 1.00 0.00 C ATOM 969 O LEU A 58 18.184 0.494 6.290 1.00 0.00 O ATOM 970 CB LEU A 58 18.221 3.498 7.053 1.00 0.00 C ATOM 971 CG LEU A 58 17.564 4.210 8.241 1.00 0.00 C ATOM 972 CD1 LEU A 58 16.503 5.191 7.758 1.00 0.00 C ATOM 973 CD2 LEU A 58 16.956 3.200 9.204 1.00 0.00 C ATOM 0 H LEU A 58 20.730 3.736 7.086 1.00 0.00 H new ATOM 0 HA LEU A 58 18.868 1.925 8.367 1.00 0.00 H new ATOM 0 HB2 LEU A 58 18.767 4.236 6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.436 3.097 6.412 1.00 0.00 H new ATOM 0 HG LEU A 58 18.335 4.769 8.772 1.00 0.00 H new ATOM 0 HD11 LEU A 58 16.048 5.686 8.616 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.965 5.937 7.111 1.00 0.00 H new ATOM 0 HD13 LEU A 58 15.736 4.653 7.201 1.00 0.00 H new ATOM 0 HD21 LEU A 58 16.495 3.726 10.040 1.00 0.00 H new ATOM 0 HD22 LEU A 58 16.200 2.611 8.684 1.00 0.00 H new ATOM 0 HD23 LEU A 58 17.737 2.538 9.578 1.00 0.00 H new ATOM 985 N LYS A 59 20.146 1.255 5.479 1.00 0.00 N ATOM 986 CA LYS A 59 20.221 0.270 4.401 1.00 0.00 C ATOM 987 C LYS A 59 19.763 -1.108 4.882 1.00 0.00 C ATOM 988 O LYS A 59 18.882 -1.720 4.278 1.00 0.00 O ATOM 989 CB LYS A 59 21.649 0.186 3.858 1.00 0.00 C ATOM 990 CG LYS A 59 21.717 0.046 2.345 1.00 0.00 C ATOM 991 CD LYS A 59 22.127 -1.358 1.932 1.00 0.00 C ATOM 992 CE LYS A 59 23.550 -1.672 2.366 1.00 0.00 C ATOM 993 NZ LYS A 59 24.271 -2.493 1.355 1.00 0.00 N ATOM 0 H LYS A 59 20.932 1.904 5.509 1.00 0.00 H new ATOM 0 HA LYS A 59 19.553 0.593 3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 59 22.196 1.080 4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.154 -0.664 4.316 1.00 0.00 H new ATOM 0 HG2 LYS A 59 20.745 0.284 1.913 1.00 0.00 H new ATOM 0 HG3 LYS A 59 22.429 0.767 1.944 1.00 0.00 H new ATOM 0 HD2 LYS A 59 21.443 -2.083 2.373 1.00 0.00 H new ATOM 0 HD3 LYS A 59 22.045 -1.459 0.850 1.00 0.00 H new ATOM 0 HE2 LYS A 59 24.093 -0.741 2.532 1.00 0.00 H new ATOM 0 HE3 LYS A 59 23.530 -2.203 3.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 25.237 -2.685 1.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 23.768 -3.392 1.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 24.313 -1.976 0.454 1.00 0.00 H new ATOM 1007 N PRO A 60 20.345 -1.612 5.986 1.00 0.00 N ATOM 1008 CA PRO A 60 19.971 -2.916 6.541 1.00 0.00 C ATOM 1009 C PRO A 60 18.584 -2.887 7.168 1.00 0.00 C ATOM 1010 O PRO A 60 17.895 -3.905 7.218 1.00 0.00 O ATOM 1011 CB PRO A 60 21.040 -3.173 7.603 1.00 0.00 C ATOM 1012 CG PRO A 60 21.500 -1.817 8.012 1.00 0.00 C ATOM 1013 CD PRO A 60 21.399 -0.954 6.784 1.00 0.00 C ATOM 0 HA PRO A 60 19.925 -3.693 5.778 1.00 0.00 H new ATOM 0 HB2 PRO A 60 20.632 -3.725 8.450 1.00 0.00 H new ATOM 0 HB3 PRO A 60 21.862 -3.766 7.202 1.00 0.00 H new ATOM 0 HG2 PRO A 60 20.881 -1.422 8.818 1.00 0.00 H new ATOM 0 HG3 PRO A 60 22.524 -1.848 8.383 1.00 0.00 H new ATOM 0 HD2 PRO A 60 21.130 0.072 7.035 1.00 0.00 H new ATOM 0 HD3 PRO A 60 22.345 -0.913 6.244 1.00 0.00 H new ATOM 1021 N LYS A 61 18.172 -1.711 7.636 1.00 0.00 N ATOM 1022 CA LYS A 61 16.859 -1.562 8.247 1.00 0.00 C ATOM 1023 C LYS A 61 15.764 -1.794 7.213 1.00 0.00 C ATOM 1024 O LYS A 61 14.658 -2.205 7.553 1.00 0.00 O ATOM 1025 CB LYS A 61 16.698 -0.179 8.878 1.00 0.00 C ATOM 1026 CG LYS A 61 15.556 -0.106 9.882 1.00 0.00 C ATOM 1027 CD LYS A 61 14.281 0.419 9.239 1.00 0.00 C ATOM 1028 CE LYS A 61 13.669 1.548 10.053 1.00 0.00 C ATOM 1029 NZ LYS A 61 13.164 1.073 11.370 1.00 0.00 N ATOM 0 H LYS A 61 18.726 -0.855 7.603 1.00 0.00 H new ATOM 0 HA LYS A 61 16.769 -2.310 9.035 1.00 0.00 H new ATOM 0 HB2 LYS A 61 17.628 0.097 9.375 1.00 0.00 H new ATOM 0 HB3 LYS A 61 16.528 0.555 8.090 1.00 0.00 H new ATOM 0 HG2 LYS A 61 15.373 -1.096 10.299 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.840 0.542 10.711 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.500 0.773 8.232 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.560 -0.393 9.142 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.414 2.328 10.210 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.850 1.998 9.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.755 1.873 11.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.434 0.347 11.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.950 0.667 11.917 1.00 0.00 H new ATOM 1043 N ILE A 62 16.081 -1.548 5.941 1.00 0.00 N ATOM 1044 CA ILE A 62 15.114 -1.762 4.872 1.00 0.00 C ATOM 1045 C ILE A 62 14.520 -3.159 5.010 1.00 0.00 C ATOM 1046 O ILE A 62 13.323 -3.372 4.796 1.00 0.00 O ATOM 1047 CB ILE A 62 15.769 -1.585 3.478 1.00 0.00 C ATOM 1048 CG1 ILE A 62 15.700 -0.117 3.046 1.00 0.00 C ATOM 1049 CG2 ILE A 62 15.105 -2.474 2.433 1.00 0.00 C ATOM 1050 CD1 ILE A 62 16.240 0.848 4.080 1.00 0.00 C ATOM 0 H ILE A 62 16.990 -1.204 5.631 1.00 0.00 H new ATOM 0 HA ILE A 62 14.323 -1.017 4.957 1.00 0.00 H new ATOM 0 HB ILE A 62 16.813 -1.887 3.557 1.00 0.00 H new ATOM 0 HG12 ILE A 62 16.260 0.006 2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 62 14.663 0.140 2.828 1.00 0.00 H new ATOM 0 HG21 ILE A 62 15.589 -2.325 1.468 1.00 0.00 H new ATOM 0 HG22 ILE A 62 15.202 -3.518 2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 62 14.049 -2.216 2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 62 16.158 1.868 3.704 1.00 0.00 H new ATOM 0 HD12 ILE A 62 15.665 0.754 5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 62 17.286 0.618 4.281 1.00 0.00 H new ATOM 1062 N ASP A 63 15.365 -4.099 5.421 1.00 0.00 N ATOM 1063 CA ASP A 63 14.935 -5.464 5.645 1.00 0.00 C ATOM 1064 C ASP A 63 13.927 -5.467 6.783 1.00 0.00 C ATOM 1065 O ASP A 63 12.874 -6.097 6.699 1.00 0.00 O ATOM 1066 CB ASP A 63 16.137 -6.351 5.984 1.00 0.00 C ATOM 1067 CG ASP A 63 16.246 -7.552 5.066 1.00 0.00 C ATOM 1068 OD1 ASP A 63 16.035 -8.686 5.544 1.00 0.00 O ATOM 1069 OD2 ASP A 63 16.540 -7.359 3.868 1.00 0.00 O ATOM 0 H ASP A 63 16.355 -3.934 5.605 1.00 0.00 H new ATOM 0 HA ASP A 63 14.472 -5.864 4.743 1.00 0.00 H new ATOM 0 HB2 ASP A 63 17.051 -5.761 5.916 1.00 0.00 H new ATOM 0 HB3 ASP A 63 16.054 -6.692 7.016 1.00 0.00 H new ATOM 1074 N GLU A 64 14.254 -4.718 7.836 1.00 0.00 N ATOM 1075 CA GLU A 64 13.379 -4.588 8.992 1.00 0.00 C ATOM 1076 C GLU A 64 12.025 -4.042 8.552 1.00 0.00 C ATOM 1077 O GLU A 64 10.980 -4.523 8.979 1.00 0.00 O ATOM 1078 CB GLU A 64 14.011 -3.663 10.038 1.00 0.00 C ATOM 1079 CG GLU A 64 15.049 -4.350 10.911 1.00 0.00 C ATOM 1080 CD GLU A 64 15.436 -3.521 12.120 1.00 0.00 C ATOM 1081 OE1 GLU A 64 16.598 -3.066 12.179 1.00 0.00 O ATOM 1082 OE2 GLU A 64 14.579 -3.325 13.005 1.00 0.00 O ATOM 0 H GLU A 64 15.124 -4.191 7.908 1.00 0.00 H new ATOM 0 HA GLU A 64 13.238 -5.570 9.443 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.477 -2.819 9.530 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.225 -3.257 10.674 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.659 -5.312 11.244 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.939 -4.556 10.317 1.00 0.00 H new ATOM 1089 N ILE A 65 12.058 -3.047 7.669 1.00 0.00 N ATOM 1090 CA ILE A 65 10.839 -2.444 7.141 1.00 0.00 C ATOM 1091 C ILE A 65 9.917 -3.512 6.571 1.00 0.00 C ATOM 1092 O ILE A 65 8.706 -3.460 6.758 1.00 0.00 O ATOM 1093 CB ILE A 65 11.157 -1.410 6.038 1.00 0.00 C ATOM 1094 CG1 ILE A 65 12.136 -0.356 6.559 1.00 0.00 C ATOM 1095 CG2 ILE A 65 9.881 -0.749 5.541 1.00 0.00 C ATOM 1096 CD1 ILE A 65 11.574 0.485 7.685 1.00 0.00 C ATOM 0 H ILE A 65 12.919 -2.641 7.304 1.00 0.00 H new ATOM 0 HA ILE A 65 10.343 -1.936 7.968 1.00 0.00 H new ATOM 0 HB ILE A 65 11.622 -1.932 5.202 1.00 0.00 H new ATOM 0 HG12 ILE A 65 13.043 -0.853 6.905 1.00 0.00 H new ATOM 0 HG13 ILE A 65 12.425 0.298 5.737 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.125 -0.024 4.765 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.214 -1.508 5.132 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.388 -0.241 6.370 1.00 0.00 H new ATOM 0 HD11 ILE A 65 12.322 1.211 8.005 1.00 0.00 H new ATOM 0 HD12 ILE A 65 10.684 1.010 7.338 1.00 0.00 H new ATOM 0 HD13 ILE A 65 11.311 -0.159 8.524 1.00 0.00 H new ATOM 1108 N SER A 66 10.495 -4.476 5.869 1.00 0.00 N ATOM 1109 CA SER A 66 9.709 -5.546 5.267 1.00 0.00 C ATOM 1110 C SER A 66 9.405 -6.672 6.255 1.00 0.00 C ATOM 1111 O SER A 66 8.259 -7.087 6.393 1.00 0.00 O ATOM 1112 CB SER A 66 10.427 -6.107 4.039 1.00 0.00 C ATOM 1113 OG SER A 66 9.515 -6.370 2.988 1.00 0.00 O ATOM 0 H SER A 66 11.499 -4.540 5.702 1.00 0.00 H new ATOM 0 HA SER A 66 8.756 -5.111 4.965 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.182 -5.397 3.700 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.950 -7.025 4.308 1.00 0.00 H new ATOM 0 HG SER A 66 10.001 -6.726 2.215 1.00 0.00 H new ATOM 1387 N LYS B 9 -1.839 -13.382 -3.587 1.00 0.00 N ATOM 1388 CA LYS B 9 -1.619 -12.062 -4.167 1.00 0.00 C ATOM 1389 C LYS B 9 -2.454 -11.879 -5.426 1.00 0.00 C ATOM 1390 O LYS B 9 -2.788 -12.847 -6.110 1.00 0.00 O ATOM 1391 CB LYS B 9 -0.138 -11.878 -4.500 1.00 0.00 C ATOM 1392 CG LYS B 9 0.604 -11.013 -3.498 1.00 0.00 C ATOM 1393 CD LYS B 9 1.563 -11.833 -2.653 1.00 0.00 C ATOM 1394 CE LYS B 9 1.672 -11.280 -1.242 1.00 0.00 C ATOM 1395 NZ LYS B 9 2.969 -11.639 -0.605 1.00 0.00 N ATOM 0 HA LYS B 9 -1.923 -11.312 -3.436 1.00 0.00 H new ATOM 0 HB2 LYS B 9 0.340 -12.856 -4.548 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -0.049 -11.431 -5.490 1.00 0.00 H new ATOM 0 HG2 LYS B 9 1.157 -10.236 -4.026 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -0.113 -10.509 -2.850 1.00 0.00 H new ATOM 0 HD2 LYS B 9 1.222 -12.868 -2.614 1.00 0.00 H new ATOM 0 HD3 LYS B 9 2.548 -11.839 -3.120 1.00 0.00 H new ATOM 0 HE2 LYS B 9 1.568 -10.195 -1.268 1.00 0.00 H new ATOM 0 HE3 LYS B 9 0.851 -11.665 -0.637 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 3.005 -11.244 0.356 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 3.057 -12.674 -0.557 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 3.752 -11.250 -1.169 1.00 0.00 H new ATOM 1409 N LYS B 10 -2.790 -10.633 -5.725 1.00 0.00 N ATOM 1410 CA LYS B 10 -3.591 -10.322 -6.903 1.00 0.00 C ATOM 1411 C LYS B 10 -2.921 -9.243 -7.751 1.00 0.00 C ATOM 1412 O LYS B 10 -2.401 -8.266 -7.222 1.00 0.00 O ATOM 1413 CB LYS B 10 -4.972 -9.844 -6.469 1.00 0.00 C ATOM 1414 CG LYS B 10 -5.841 -10.930 -5.858 1.00 0.00 C ATOM 1415 CD LYS B 10 -6.655 -10.397 -4.685 1.00 0.00 C ATOM 1416 CE LYS B 10 -8.063 -10.971 -4.678 1.00 0.00 C ATOM 1417 NZ LYS B 10 -8.935 -10.317 -5.692 1.00 0.00 N ATOM 0 H LYS B 10 -2.522 -9.821 -5.170 1.00 0.00 H new ATOM 0 HA LYS B 10 -3.683 -11.226 -7.505 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -4.855 -9.038 -5.745 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -5.487 -9.424 -7.333 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -6.513 -11.330 -6.617 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -5.213 -11.755 -5.522 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -6.154 -10.647 -3.750 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -6.704 -9.309 -4.739 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -8.019 -12.042 -4.874 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -8.501 -10.846 -3.688 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -9.886 -10.737 -5.655 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -8.998 -9.299 -5.491 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -8.531 -10.458 -6.640 1.00 0.00 H new ATOM 1431 N LYS B 11 -2.946 -9.402 -9.070 1.00 0.00 N ATOM 1432 CA LYS B 11 -2.348 -8.401 -9.943 1.00 0.00 C ATOM 1433 C LYS B 11 -3.128 -7.100 -9.830 1.00 0.00 C ATOM 1434 O LYS B 11 -4.257 -6.999 -10.311 1.00 0.00 O ATOM 1435 CB LYS B 11 -2.329 -8.876 -11.396 1.00 0.00 C ATOM 1436 CG LYS B 11 -1.676 -10.236 -11.584 1.00 0.00 C ATOM 1437 CD LYS B 11 -2.701 -11.360 -11.538 1.00 0.00 C ATOM 1438 CE LYS B 11 -2.413 -12.333 -10.405 1.00 0.00 C ATOM 1439 NZ LYS B 11 -3.579 -13.213 -10.117 1.00 0.00 N ATOM 0 H LYS B 11 -3.365 -10.198 -9.550 1.00 0.00 H new ATOM 0 HA LYS B 11 -1.317 -8.240 -9.630 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -3.352 -8.919 -11.769 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -1.800 -8.141 -12.003 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -1.152 -10.260 -12.539 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -0.929 -10.392 -10.806 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -3.698 -10.939 -11.412 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -2.698 -11.895 -12.488 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -1.551 -12.947 -10.665 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -2.149 -11.775 -9.506 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -3.341 -13.861 -9.339 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -4.395 -12.629 -9.844 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -3.816 -13.764 -10.966 1.00 0.00 H new ATOM 1453 N THR B 12 -2.532 -6.112 -9.175 1.00 0.00 N ATOM 1454 CA THR B 12 -3.189 -4.828 -8.983 1.00 0.00 C ATOM 1455 C THR B 12 -2.531 -3.734 -9.812 1.00 0.00 C ATOM 1456 O THR B 12 -1.319 -3.747 -10.028 1.00 0.00 O ATOM 1457 CB THR B 12 -3.173 -4.441 -7.504 1.00 0.00 C ATOM 1458 OG1 THR B 12 -3.400 -5.575 -6.686 1.00 0.00 O ATOM 1459 CG2 THR B 12 -4.213 -3.402 -7.146 1.00 0.00 C ATOM 0 H THR B 12 -1.598 -6.176 -8.769 1.00 0.00 H new ATOM 0 HA THR B 12 -4.221 -4.931 -9.319 1.00 0.00 H new ATOM 0 HB THR B 12 -2.184 -4.018 -7.327 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.074 -5.360 -6.008 1.00 0.00 H new ATOM 0 HG21 THR B 12 -4.147 -3.173 -6.082 1.00 0.00 H new ATOM 0 HG22 THR B 12 -4.035 -2.495 -7.724 1.00 0.00 H new ATOM 0 HG23 THR B 12 -5.207 -3.788 -7.373 1.00 0.00 H new ATOM 1467 N THR B 13 -3.338 -2.781 -10.270 1.00 0.00 N ATOM 1468 CA THR B 13 -2.828 -1.674 -11.069 1.00 0.00 C ATOM 1469 C THR B 13 -2.921 -0.362 -10.309 1.00 0.00 C ATOM 1470 O THR B 13 -3.992 0.027 -9.843 1.00 0.00 O ATOM 1471 CB THR B 13 -3.598 -1.540 -12.380 1.00 0.00 C ATOM 1472 OG1 THR B 13 -4.003 -2.809 -12.863 1.00 0.00 O ATOM 1473 CG2 THR B 13 -2.794 -0.862 -13.467 1.00 0.00 C ATOM 0 H THR B 13 -4.344 -2.754 -10.102 1.00 0.00 H new ATOM 0 HA THR B 13 -1.782 -1.893 -11.286 1.00 0.00 H new ATOM 0 HB THR B 13 -4.465 -0.922 -12.148 1.00 0.00 H new ATOM 0 HG1 THR B 13 -4.496 -2.697 -13.703 1.00 0.00 H new ATOM 0 HG21 THR B 13 -3.393 -0.795 -14.375 1.00 0.00 H new ATOM 0 HG22 THR B 13 -2.515 0.140 -13.142 1.00 0.00 H new ATOM 0 HG23 THR B 13 -1.893 -1.442 -13.669 1.00 0.00 H new ATOM 1481 N LEU B 14 -1.795 0.325 -10.211 1.00 0.00 N ATOM 1482 CA LEU B 14 -1.736 1.607 -9.538 1.00 0.00 C ATOM 1483 C LEU B 14 -1.208 2.653 -10.510 1.00 0.00 C ATOM 1484 O LEU B 14 -0.225 2.416 -11.212 1.00 0.00 O ATOM 1485 CB LEU B 14 -0.863 1.507 -8.284 1.00 0.00 C ATOM 1486 CG LEU B 14 -1.212 0.335 -7.359 1.00 0.00 C ATOM 1487 CD1 LEU B 14 -0.301 0.306 -6.141 1.00 0.00 C ATOM 1488 CD2 LEU B 14 -2.672 0.409 -6.933 1.00 0.00 C ATOM 0 H LEU B 14 -0.903 0.011 -10.594 1.00 0.00 H new ATOM 0 HA LEU B 14 -2.733 1.906 -9.215 1.00 0.00 H new ATOM 0 HB2 LEU B 14 0.180 1.415 -8.589 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -0.950 2.436 -7.721 1.00 0.00 H new ATOM 0 HG LEU B 14 -1.058 -0.590 -7.915 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -0.572 -0.536 -5.504 1.00 0.00 H new ATOM 0 HD12 LEU B 14 0.735 0.198 -6.464 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -0.412 1.235 -5.582 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -2.903 -0.430 -6.277 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -2.849 1.344 -6.402 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -3.311 0.366 -7.815 1.00 0.00 H new ATOM 1500 N ALA B 15 -1.889 3.790 -10.590 1.00 0.00 N ATOM 1501 CA ALA B 15 -1.505 4.835 -11.528 1.00 0.00 C ATOM 1502 C ALA B 15 -0.463 5.787 -10.962 1.00 0.00 C ATOM 1503 O ALA B 15 -0.781 6.725 -10.235 1.00 0.00 O ATOM 1504 CB ALA B 15 -2.733 5.604 -11.987 1.00 0.00 C ATOM 0 H ALA B 15 -2.705 4.010 -10.020 1.00 0.00 H new ATOM 0 HA ALA B 15 -1.043 4.340 -12.382 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -2.433 6.383 -12.688 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -3.427 4.922 -12.477 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -3.220 6.060 -11.125 1.00 0.00 H new ATOM 1510 N PHE B 16 0.780 5.534 -11.346 1.00 0.00 N ATOM 1511 CA PHE B 16 1.918 6.352 -10.946 1.00 0.00 C ATOM 1512 C PHE B 16 3.183 5.795 -11.554 1.00 0.00 C ATOM 1513 O PHE B 16 3.165 4.748 -12.185 1.00 0.00 O ATOM 1514 CB PHE B 16 2.060 6.460 -9.423 1.00 0.00 C ATOM 1515 CG PHE B 16 2.139 5.139 -8.695 1.00 0.00 C ATOM 1516 CD1 PHE B 16 2.164 3.930 -9.381 1.00 0.00 C ATOM 1517 CD2 PHE B 16 2.193 5.113 -7.310 1.00 0.00 C ATOM 1518 CE1 PHE B 16 2.241 2.731 -8.699 1.00 0.00 C ATOM 1519 CE2 PHE B 16 2.270 3.916 -6.625 1.00 0.00 C ATOM 1520 CZ PHE B 16 2.294 2.724 -7.320 1.00 0.00 C ATOM 0 H PHE B 16 1.030 4.750 -11.948 1.00 0.00 H new ATOM 0 HA PHE B 16 1.742 7.362 -11.317 1.00 0.00 H new ATOM 0 HB2 PHE B 16 2.957 7.037 -9.197 1.00 0.00 H new ATOM 0 HB3 PHE B 16 1.212 7.023 -9.033 1.00 0.00 H new ATOM 0 HD1 PHE B 16 2.123 3.928 -10.460 1.00 0.00 H new ATOM 0 HD2 PHE B 16 2.175 6.042 -6.759 1.00 0.00 H new ATOM 0 HE1 PHE B 16 2.260 1.799 -9.245 1.00 0.00 H new ATOM 0 HE2 PHE B 16 2.311 3.913 -5.546 1.00 0.00 H new ATOM 0 HZ PHE B 16 2.354 1.787 -6.786 1.00 0.00 H new ATOM 1530 N ASP B 17 4.273 6.509 -11.376 1.00 0.00 N ATOM 1531 CA ASP B 17 5.560 6.096 -11.909 1.00 0.00 C ATOM 1532 C ASP B 17 6.462 7.294 -12.025 1.00 0.00 C ATOM 1533 O ASP B 17 7.656 7.217 -11.767 1.00 0.00 O ATOM 1534 CB ASP B 17 5.425 5.426 -13.276 1.00 0.00 C ATOM 1535 CG ASP B 17 5.509 3.914 -13.194 1.00 0.00 C ATOM 1536 OD1 ASP B 17 5.725 3.274 -14.244 1.00 0.00 O ATOM 1537 OD2 ASP B 17 5.361 3.371 -12.080 1.00 0.00 O ATOM 0 H ASP B 17 4.296 7.389 -10.861 1.00 0.00 H new ATOM 0 HA ASP B 17 5.986 5.365 -11.221 1.00 0.00 H new ATOM 0 HB2 ASP B 17 4.472 5.710 -13.723 1.00 0.00 H new ATOM 0 HB3 ASP B 17 6.210 5.795 -13.937 1.00 0.00 H new ATOM 1542 N GLU B 18 5.890 8.417 -12.402 1.00 0.00 N ATOM 1543 CA GLU B 18 6.684 9.616 -12.531 1.00 0.00 C ATOM 1544 C GLU B 18 7.528 9.812 -11.274 1.00 0.00 C ATOM 1545 O GLU B 18 8.762 9.783 -11.324 1.00 0.00 O ATOM 1546 CB GLU B 18 5.800 10.838 -12.778 1.00 0.00 C ATOM 1547 CG GLU B 18 6.529 11.985 -13.463 1.00 0.00 C ATOM 1548 CD GLU B 18 7.245 11.551 -14.728 1.00 0.00 C ATOM 1549 OE1 GLU B 18 8.318 12.116 -15.026 1.00 0.00 O ATOM 1550 OE2 GLU B 18 6.731 10.648 -15.420 1.00 0.00 O ATOM 0 H GLU B 18 4.899 8.524 -12.620 1.00 0.00 H new ATOM 0 HA GLU B 18 7.343 9.504 -13.392 1.00 0.00 H new ATOM 0 HB2 GLU B 18 4.948 10.542 -13.390 1.00 0.00 H new ATOM 0 HB3 GLU B 18 5.402 11.188 -11.825 1.00 0.00 H new ATOM 0 HG2 GLU B 18 5.814 12.771 -13.707 1.00 0.00 H new ATOM 0 HG3 GLU B 18 7.252 12.416 -12.771 1.00 0.00 H new ATOM 1557 N ASP B 19 6.855 9.975 -10.141 1.00 0.00 N ATOM 1558 CA ASP B 19 7.548 10.157 -8.873 1.00 0.00 C ATOM 1559 C ASP B 19 7.912 8.822 -8.246 1.00 0.00 C ATOM 1560 O ASP B 19 9.049 8.624 -7.815 1.00 0.00 O ATOM 1561 CB ASP B 19 6.691 10.977 -7.908 1.00 0.00 C ATOM 1562 CG ASP B 19 7.520 11.669 -6.842 1.00 0.00 C ATOM 1563 OD1 ASP B 19 8.659 12.077 -7.150 1.00 0.00 O ATOM 1564 OD2 ASP B 19 7.029 11.801 -5.702 1.00 0.00 O ATOM 0 H ASP B 19 5.837 9.985 -10.075 1.00 0.00 H new ATOM 0 HA ASP B 19 8.472 10.699 -9.074 1.00 0.00 H new ATOM 0 HB2 ASP B 19 6.130 11.724 -8.470 1.00 0.00 H new ATOM 0 HB3 ASP B 19 5.961 10.324 -7.430 1.00 0.00 H new ATOM 1569 N VAL B 20 6.957 7.903 -8.191 1.00 0.00 N ATOM 1570 CA VAL B 20 7.219 6.600 -7.607 1.00 0.00 C ATOM 1571 C VAL B 20 8.305 5.869 -8.394 1.00 0.00 C ATOM 1572 O VAL B 20 9.254 5.364 -7.807 1.00 0.00 O ATOM 1573 CB VAL B 20 5.946 5.731 -7.510 1.00 0.00 C ATOM 1574 CG1 VAL B 20 4.827 6.506 -6.833 1.00 0.00 C ATOM 1575 CG2 VAL B 20 5.502 5.253 -8.878 1.00 0.00 C ATOM 0 H VAL B 20 6.007 8.035 -8.539 1.00 0.00 H new ATOM 0 HA VAL B 20 7.569 6.771 -6.589 1.00 0.00 H new ATOM 0 HB VAL B 20 6.183 4.854 -6.908 1.00 0.00 H new ATOM 0 HG11 VAL B 20 3.936 5.880 -6.772 1.00 0.00 H new ATOM 0 HG12 VAL B 20 5.139 6.793 -5.829 1.00 0.00 H new ATOM 0 HG13 VAL B 20 4.602 7.401 -7.412 1.00 0.00 H new ATOM 0 HG21 VAL B 20 4.604 4.644 -8.777 1.00 0.00 H new ATOM 0 HG22 VAL B 20 5.288 6.113 -9.512 1.00 0.00 H new ATOM 0 HG23 VAL B 20 6.295 4.658 -9.330 1.00 0.00 H new ATOM 1585 N TYR B 21 8.186 5.831 -9.724 1.00 0.00 N ATOM 1586 CA TYR B 21 9.200 5.164 -10.541 1.00 0.00 C ATOM 1587 C TYR B 21 10.555 5.842 -10.362 1.00 0.00 C ATOM 1588 O TYR B 21 11.567 5.164 -10.189 1.00 0.00 O ATOM 1589 CB TYR B 21 8.820 5.126 -12.029 1.00 0.00 C ATOM 1590 CG TYR B 21 9.438 3.965 -12.778 1.00 0.00 C ATOM 1591 CD1 TYR B 21 8.763 2.758 -12.909 1.00 0.00 C ATOM 1592 CD2 TYR B 21 10.697 4.080 -13.354 1.00 0.00 C ATOM 1593 CE1 TYR B 21 9.326 1.697 -13.592 1.00 0.00 C ATOM 1594 CE2 TYR B 21 11.265 3.023 -14.040 1.00 0.00 C ATOM 1595 CZ TYR B 21 10.577 1.834 -14.156 1.00 0.00 C ATOM 1596 OH TYR B 21 11.140 0.780 -14.838 1.00 0.00 O ATOM 0 H TYR B 21 7.415 6.245 -10.248 1.00 0.00 H new ATOM 0 HA TYR B 21 9.262 4.132 -10.196 1.00 0.00 H new ATOM 0 HB2 TYR B 21 7.735 5.070 -12.118 1.00 0.00 H new ATOM 0 HB3 TYR B 21 9.131 6.059 -12.500 1.00 0.00 H new ATOM 0 HD1 TYR B 21 7.783 2.647 -12.470 1.00 0.00 H new ATOM 0 HD2 TYR B 21 11.240 5.009 -13.264 1.00 0.00 H new ATOM 0 HE1 TYR B 21 8.789 0.765 -13.684 1.00 0.00 H new ATOM 0 HE2 TYR B 21 12.244 3.128 -14.483 1.00 0.00 H new ATOM 0 HH TYR B 21 12.023 1.042 -15.174 1.00 0.00 H new ATOM 1606 N HIS B 22 10.583 7.181 -10.385 1.00 0.00 N ATOM 1607 CA HIS B 22 11.846 7.887 -10.200 1.00 0.00 C ATOM 1608 C HIS B 22 12.380 7.633 -8.799 1.00 0.00 C ATOM 1609 O HIS B 22 13.535 7.240 -8.630 1.00 0.00 O ATOM 1610 CB HIS B 22 11.675 9.387 -10.442 1.00 0.00 C ATOM 1611 CG HIS B 22 11.921 9.796 -11.861 1.00 0.00 C ATOM 1612 ND1 HIS B 22 12.811 10.790 -12.214 1.00 0.00 N ATOM 1613 CD2 HIS B 22 11.390 9.341 -13.020 1.00 0.00 C ATOM 1614 CE1 HIS B 22 12.815 10.928 -13.527 1.00 0.00 C ATOM 1615 NE2 HIS B 22 11.962 10.060 -14.040 1.00 0.00 N ATOM 0 H HIS B 22 9.768 7.778 -10.526 1.00 0.00 H new ATOM 0 HA HIS B 22 12.563 7.509 -10.928 1.00 0.00 H new ATOM 0 HB2 HIS B 22 10.664 9.680 -10.158 1.00 0.00 H new ATOM 0 HB3 HIS B 22 12.359 9.932 -9.792 1.00 0.00 H new ATOM 0 HD2 HIS B 22 10.653 8.558 -13.123 1.00 0.00 H new ATOM 0 HE1 HIS B 22 13.414 11.631 -14.087 1.00 0.00 H new ATOM 0 HE2 HIS B 22 11.761 9.943 -15.033 1.00 0.00 H new ATOM 1624 N THR B 23 11.533 7.834 -7.793 1.00 0.00 N ATOM 1625 CA THR B 23 11.942 7.591 -6.417 1.00 0.00 C ATOM 1626 C THR B 23 12.337 6.132 -6.253 1.00 0.00 C ATOM 1627 O THR B 23 13.303 5.805 -5.563 1.00 0.00 O ATOM 1628 CB THR B 23 10.826 7.939 -5.437 1.00 0.00 C ATOM 1629 OG1 THR B 23 9.654 7.197 -5.723 1.00 0.00 O ATOM 1630 CG2 THR B 23 10.458 9.407 -5.444 1.00 0.00 C ATOM 0 H THR B 23 10.573 8.160 -7.904 1.00 0.00 H new ATOM 0 HA THR B 23 12.796 8.231 -6.196 1.00 0.00 H new ATOM 0 HB THR B 23 11.219 7.686 -4.452 1.00 0.00 H new ATOM 0 HG1 THR B 23 9.237 7.546 -6.538 1.00 0.00 H new ATOM 0 HG21 THR B 23 9.659 9.585 -4.725 1.00 0.00 H new ATOM 0 HG22 THR B 23 11.330 10.002 -5.172 1.00 0.00 H new ATOM 0 HG23 THR B 23 10.120 9.693 -6.440 1.00 0.00 H new ATOM 1638 N LEU B 24 11.598 5.254 -6.925 1.00 0.00 N ATOM 1639 CA LEU B 24 11.888 3.828 -6.886 1.00 0.00 C ATOM 1640 C LEU B 24 13.313 3.579 -7.362 1.00 0.00 C ATOM 1641 O LEU B 24 13.890 2.523 -7.106 1.00 0.00 O ATOM 1642 CB LEU B 24 10.900 3.043 -7.755 1.00 0.00 C ATOM 1643 CG LEU B 24 9.834 2.252 -6.987 1.00 0.00 C ATOM 1644 CD1 LEU B 24 10.464 1.445 -5.866 1.00 0.00 C ATOM 1645 CD2 LEU B 24 8.769 3.182 -6.428 1.00 0.00 C ATOM 0 H LEU B 24 10.795 5.506 -7.502 1.00 0.00 H new ATOM 0 HA LEU B 24 11.784 3.483 -5.857 1.00 0.00 H new ATOM 0 HB2 LEU B 24 10.398 3.741 -8.425 1.00 0.00 H new ATOM 0 HB3 LEU B 24 11.463 2.350 -8.380 1.00 0.00 H new ATOM 0 HG LEU B 24 9.361 1.563 -7.687 1.00 0.00 H new ATOM 0 HD11 LEU B 24 9.689 0.892 -5.335 1.00 0.00 H new ATOM 0 HD12 LEU B 24 11.187 0.745 -6.284 1.00 0.00 H new ATOM 0 HD13 LEU B 24 10.969 2.118 -5.173 1.00 0.00 H new ATOM 0 HD21 LEU B 24 8.024 2.598 -5.887 1.00 0.00 H new ATOM 0 HD22 LEU B 24 9.231 3.898 -5.749 1.00 0.00 H new ATOM 0 HD23 LEU B 24 8.287 3.717 -7.246 1.00 0.00 H new ATOM 1657 N LYS B 25 13.873 4.561 -8.067 1.00 0.00 N ATOM 1658 CA LYS B 25 15.222 4.446 -8.587 1.00 0.00 C ATOM 1659 C LYS B 25 16.260 4.399 -7.473 1.00 0.00 C ATOM 1660 O LYS B 25 17.136 3.535 -7.478 1.00 0.00 O ATOM 1661 CB LYS B 25 15.529 5.600 -9.543 1.00 0.00 C ATOM 1662 CG LYS B 25 16.809 5.406 -10.340 1.00 0.00 C ATOM 1663 CD LYS B 25 16.781 4.109 -11.136 1.00 0.00 C ATOM 1664 CE LYS B 25 17.790 3.103 -10.605 1.00 0.00 C ATOM 1665 NZ LYS B 25 17.778 1.837 -11.389 1.00 0.00 N ATOM 0 H LYS B 25 13.409 5.442 -8.288 1.00 0.00 H new ATOM 0 HA LYS B 25 15.278 3.504 -9.132 1.00 0.00 H new ATOM 0 HB2 LYS B 25 14.695 5.720 -10.234 1.00 0.00 H new ATOM 0 HB3 LYS B 25 15.604 6.525 -8.971 1.00 0.00 H new ATOM 0 HG2 LYS B 25 16.947 6.248 -11.019 1.00 0.00 H new ATOM 0 HG3 LYS B 25 17.663 5.400 -9.663 1.00 0.00 H new ATOM 0 HD2 LYS B 25 15.781 3.678 -11.095 1.00 0.00 H new ATOM 0 HD3 LYS B 25 16.994 4.320 -12.184 1.00 0.00 H new ATOM 0 HE2 LYS B 25 18.788 3.539 -10.636 1.00 0.00 H new ATOM 0 HE3 LYS B 25 17.570 2.885 -9.560 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 18.480 1.178 -10.995 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 16.833 1.407 -11.339 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 18.013 2.041 -12.381 1.00 0.00 H new ATOM 1679 N LEU B 26 16.167 5.315 -6.510 1.00 0.00 N ATOM 1680 CA LEU B 26 17.127 5.320 -5.410 1.00 0.00 C ATOM 1681 C LEU B 26 16.876 4.129 -4.509 1.00 0.00 C ATOM 1682 O LEU B 26 17.799 3.408 -4.147 1.00 0.00 O ATOM 1683 CB LEU B 26 17.080 6.614 -4.591 1.00 0.00 C ATOM 1684 CG LEU B 26 16.533 7.835 -5.319 1.00 0.00 C ATOM 1685 CD1 LEU B 26 15.024 7.854 -5.209 1.00 0.00 C ATOM 1686 CD2 LEU B 26 17.136 9.112 -4.753 1.00 0.00 C ATOM 0 H LEU B 26 15.456 6.045 -6.468 1.00 0.00 H new ATOM 0 HA LEU B 26 18.123 5.256 -5.849 1.00 0.00 H new ATOM 0 HB2 LEU B 26 16.471 6.439 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU B 26 18.089 6.841 -4.246 1.00 0.00 H new ATOM 0 HG LEU B 26 16.809 7.778 -6.372 1.00 0.00 H new ATOM 0 HD11 LEU B 26 14.632 8.728 -5.730 1.00 0.00 H new ATOM 0 HD12 LEU B 26 14.615 6.949 -5.659 1.00 0.00 H new ATOM 0 HD13 LEU B 26 14.736 7.899 -4.159 1.00 0.00 H new ATOM 0 HD21 LEU B 26 16.732 9.973 -5.287 1.00 0.00 H new ATOM 0 HD22 LEU B 26 16.889 9.193 -3.694 1.00 0.00 H new ATOM 0 HD23 LEU B 26 18.219 9.087 -4.872 1.00 0.00 H new ATOM 1698 N VAL B 27 15.614 3.919 -4.165 1.00 0.00 N ATOM 1699 CA VAL B 27 15.237 2.794 -3.319 1.00 0.00 C ATOM 1700 C VAL B 27 15.610 1.482 -3.974 1.00 0.00 C ATOM 1701 O VAL B 27 16.095 0.569 -3.317 1.00 0.00 O ATOM 1702 CB VAL B 27 13.731 2.759 -3.013 1.00 0.00 C ATOM 1703 CG1 VAL B 27 13.449 3.234 -1.603 1.00 0.00 C ATOM 1704 CG2 VAL B 27 12.966 3.579 -4.005 1.00 0.00 C ATOM 0 H VAL B 27 14.835 4.510 -4.457 1.00 0.00 H new ATOM 0 HA VAL B 27 15.781 2.929 -2.384 1.00 0.00 H new ATOM 0 HB VAL B 27 13.400 1.724 -3.094 1.00 0.00 H new ATOM 0 HG11 VAL B 27 12.376 3.198 -1.415 1.00 0.00 H new ATOM 0 HG12 VAL B 27 13.964 2.588 -0.892 1.00 0.00 H new ATOM 0 HG13 VAL B 27 13.804 4.258 -1.486 1.00 0.00 H new ATOM 0 HG21 VAL B 27 11.903 3.539 -3.768 1.00 0.00 H new ATOM 0 HG22 VAL B 27 13.308 4.613 -3.963 1.00 0.00 H new ATOM 0 HG23 VAL B 27 13.129 3.183 -5.007 1.00 0.00 H new ATOM 1714 N SER B 28 15.369 1.372 -5.270 1.00 0.00 N ATOM 1715 CA SER B 28 15.678 0.137 -5.959 1.00 0.00 C ATOM 1716 C SER B 28 17.170 -0.160 -5.910 1.00 0.00 C ATOM 1717 O SER B 28 17.575 -1.305 -5.695 1.00 0.00 O ATOM 1718 CB SER B 28 15.188 0.178 -7.407 1.00 0.00 C ATOM 1719 OG SER B 28 13.778 0.052 -7.471 1.00 0.00 O ATOM 0 H SER B 28 14.969 2.107 -5.853 1.00 0.00 H new ATOM 0 HA SER B 28 15.154 -0.668 -5.444 1.00 0.00 H new ATOM 0 HB2 SER B 28 15.494 1.115 -7.872 1.00 0.00 H new ATOM 0 HB3 SER B 28 15.655 -0.627 -7.975 1.00 0.00 H new ATOM 0 HG SER B 28 13.361 0.867 -7.122 1.00 0.00 H new ATOM 1725 N VAL B 29 17.975 0.878 -6.098 1.00 0.00 N ATOM 1726 CA VAL B 29 19.421 0.746 -6.073 1.00 0.00 C ATOM 1727 C VAL B 29 19.923 0.659 -4.638 1.00 0.00 C ATOM 1728 O VAL B 29 20.765 -0.177 -4.305 1.00 0.00 O ATOM 1729 CB VAL B 29 20.070 1.950 -6.796 1.00 0.00 C ATOM 1730 CG1 VAL B 29 20.911 2.798 -5.853 1.00 0.00 C ATOM 1731 CG2 VAL B 29 20.894 1.484 -7.986 1.00 0.00 C ATOM 0 H VAL B 29 17.644 1.827 -6.271 1.00 0.00 H new ATOM 0 HA VAL B 29 19.700 -0.172 -6.591 1.00 0.00 H new ATOM 0 HB VAL B 29 19.261 2.582 -7.161 1.00 0.00 H new ATOM 0 HG11 VAL B 29 21.347 3.631 -6.404 1.00 0.00 H new ATOM 0 HG12 VAL B 29 20.282 3.183 -5.051 1.00 0.00 H new ATOM 0 HG13 VAL B 29 21.708 2.188 -5.428 1.00 0.00 H new ATOM 0 HG21 VAL B 29 21.341 2.347 -8.479 1.00 0.00 H new ATOM 0 HG22 VAL B 29 21.682 0.814 -7.643 1.00 0.00 H new ATOM 0 HG23 VAL B 29 20.250 0.957 -8.690 1.00 0.00 H new ATOM 1741 N TYR B 30 19.407 1.546 -3.801 1.00 0.00 N ATOM 1742 CA TYR B 30 19.798 1.605 -2.400 1.00 0.00 C ATOM 1743 C TYR B 30 19.207 0.452 -1.595 1.00 0.00 C ATOM 1744 O TYR B 30 19.735 0.102 -0.539 1.00 0.00 O ATOM 1745 CB TYR B 30 19.374 2.938 -1.781 1.00 0.00 C ATOM 1746 CG TYR B 30 20.230 4.106 -2.216 1.00 0.00 C ATOM 1747 CD1 TYR B 30 19.673 5.194 -2.877 1.00 0.00 C ATOM 1748 CD2 TYR B 30 21.596 4.121 -1.965 1.00 0.00 C ATOM 1749 CE1 TYR B 30 20.454 6.262 -3.276 1.00 0.00 C ATOM 1750 CE2 TYR B 30 22.383 5.186 -2.360 1.00 0.00 C ATOM 1751 CZ TYR B 30 21.808 6.254 -3.014 1.00 0.00 C ATOM 1752 OH TYR B 30 22.587 7.316 -3.410 1.00 0.00 O ATOM 0 H TYR B 30 18.710 2.241 -4.070 1.00 0.00 H new ATOM 0 HA TYR B 30 20.884 1.518 -2.365 1.00 0.00 H new ATOM 0 HB2 TYR B 30 18.336 3.139 -2.048 1.00 0.00 H new ATOM 0 HB3 TYR B 30 19.413 2.854 -0.695 1.00 0.00 H new ATOM 0 HD1 TYR B 30 18.613 5.205 -3.082 1.00 0.00 H new ATOM 0 HD2 TYR B 30 22.051 3.286 -1.452 1.00 0.00 H new ATOM 0 HE1 TYR B 30 20.006 7.099 -3.791 1.00 0.00 H new ATOM 0 HE2 TYR B 30 23.444 5.181 -2.157 1.00 0.00 H new ATOM 0 HH TYR B 30 23.518 7.154 -3.149 1.00 0.00 H new ATOM 1762 N LEU B 31 18.117 -0.144 -2.080 1.00 0.00 N ATOM 1763 CA LEU B 31 17.503 -1.252 -1.363 1.00 0.00 C ATOM 1764 C LEU B 31 17.705 -2.560 -2.121 1.00 0.00 C ATOM 1765 O LEU B 31 17.355 -3.630 -1.627 1.00 0.00 O ATOM 1766 CB LEU B 31 16.001 -1.003 -1.141 1.00 0.00 C ATOM 1767 CG LEU B 31 15.594 0.397 -0.638 1.00 0.00 C ATOM 1768 CD1 LEU B 31 14.448 0.290 0.355 1.00 0.00 C ATOM 1769 CD2 LEU B 31 16.767 1.139 -0.006 1.00 0.00 C ATOM 0 H LEU B 31 17.652 0.118 -2.949 1.00 0.00 H new ATOM 0 HA LEU B 31 17.989 -1.327 -0.390 1.00 0.00 H new ATOM 0 HB2 LEU B 31 15.483 -1.189 -2.082 1.00 0.00 H new ATOM 0 HB3 LEU B 31 15.637 -1.740 -0.425 1.00 0.00 H new ATOM 0 HG LEU B 31 15.268 0.972 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU B 31 14.172 1.286 0.701 1.00 0.00 H new ATOM 0 HD12 LEU B 31 13.590 -0.177 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU B 31 14.759 -0.316 1.206 1.00 0.00 H new ATOM 0 HD21 LEU B 31 16.436 2.120 0.334 1.00 0.00 H new ATOM 0 HD22 LEU B 31 17.144 0.568 0.843 1.00 0.00 H new ATOM 0 HD23 LEU B 31 17.561 1.260 -0.743 1.00 0.00 H new ATOM 1781 N ASN B 32 18.261 -2.469 -3.331 1.00 0.00 N ATOM 1782 CA ASN B 32 18.487 -3.652 -4.151 1.00 0.00 C ATOM 1783 C ASN B 32 17.189 -4.428 -4.285 1.00 0.00 C ATOM 1784 O ASN B 32 17.176 -5.659 -4.273 1.00 0.00 O ATOM 1785 CB ASN B 32 19.570 -4.537 -3.531 1.00 0.00 C ATOM 1786 CG ASN B 32 20.248 -5.426 -4.555 1.00 0.00 C ATOM 1787 OD1 ASN B 32 20.614 -4.974 -5.640 1.00 0.00 O ATOM 1788 ND2 ASN B 32 20.417 -6.699 -4.216 1.00 0.00 N ATOM 0 H ASN B 32 18.560 -1.593 -3.759 1.00 0.00 H new ATOM 0 HA ASN B 32 18.826 -3.340 -5.139 1.00 0.00 H new ATOM 0 HB2 ASN B 32 20.318 -3.907 -3.049 1.00 0.00 H new ATOM 0 HB3 ASN B 32 19.126 -5.158 -2.752 1.00 0.00 H new ATOM 0 HD21 ASN B 32 20.866 -7.345 -4.866 1.00 0.00 H new ATOM 0 HD22 ASN B 32 20.098 -7.031 -3.306 1.00 0.00 H new ATOM 1795 N ARG B 33 16.092 -3.686 -4.389 1.00 0.00 N ATOM 1796 CA ARG B 33 14.771 -4.291 -4.499 1.00 0.00 C ATOM 1797 C ARG B 33 14.053 -3.846 -5.765 1.00 0.00 C ATOM 1798 O ARG B 33 14.367 -2.804 -6.338 1.00 0.00 O ATOM 1799 CB ARG B 33 13.923 -3.926 -3.273 1.00 0.00 C ATOM 1800 CG ARG B 33 14.321 -4.681 -2.016 1.00 0.00 C ATOM 1801 CD ARG B 33 13.452 -4.290 -0.830 1.00 0.00 C ATOM 1802 NE ARG B 33 12.485 -5.332 -0.494 1.00 0.00 N ATOM 1803 CZ ARG B 33 12.787 -6.428 0.199 1.00 0.00 C ATOM 1804 NH1 ARG B 33 14.026 -6.630 0.629 1.00 0.00 N ATOM 1805 NH2 ARG B 33 11.846 -7.326 0.461 1.00 0.00 N ATOM 0 H ARG B 33 16.092 -2.666 -4.399 1.00 0.00 H new ATOM 0 HA ARG B 33 14.906 -5.372 -4.548 1.00 0.00 H new ATOM 0 HB2 ARG B 33 14.009 -2.855 -3.087 1.00 0.00 H new ATOM 0 HB3 ARG B 33 12.875 -4.128 -3.493 1.00 0.00 H new ATOM 0 HG2 ARG B 33 14.236 -5.753 -2.192 1.00 0.00 H new ATOM 0 HG3 ARG B 33 15.367 -4.478 -1.784 1.00 0.00 H new ATOM 0 HD2 ARG B 33 14.086 -4.091 0.034 1.00 0.00 H new ATOM 0 HD3 ARG B 33 12.923 -3.364 -1.057 1.00 0.00 H new ATOM 0 HE ARG B 33 11.522 -5.213 -0.809 1.00 0.00 H new ATOM 0 HH11 ARG B 33 14.753 -5.944 0.429 1.00 0.00 H new ATOM 0 HH12 ARG B 33 14.251 -7.472 1.159 1.00 0.00 H new ATOM 0 HH21 ARG B 33 10.892 -7.176 0.132 1.00 0.00 H new ATOM 0 HH22 ARG B 33 12.076 -8.166 0.992 1.00 0.00 H new ATOM 1819 N ASP B 34 13.069 -4.636 -6.182 1.00 0.00 N ATOM 1820 CA ASP B 34 12.283 -4.314 -7.362 1.00 0.00 C ATOM 1821 C ASP B 34 11.245 -3.264 -6.996 1.00 0.00 C ATOM 1822 O ASP B 34 10.745 -3.250 -5.870 1.00 0.00 O ATOM 1823 CB ASP B 34 11.600 -5.566 -7.914 1.00 0.00 C ATOM 1824 CG ASP B 34 12.538 -6.419 -8.743 1.00 0.00 C ATOM 1825 OD1 ASP B 34 13.124 -5.889 -9.711 1.00 0.00 O ATOM 1826 OD2 ASP B 34 12.688 -7.618 -8.427 1.00 0.00 O ATOM 0 H ASP B 34 12.799 -5.503 -5.718 1.00 0.00 H new ATOM 0 HA ASP B 34 12.942 -3.922 -8.136 1.00 0.00 H new ATOM 0 HB2 ASP B 34 11.211 -6.159 -7.086 1.00 0.00 H new ATOM 0 HB3 ASP B 34 10.746 -5.271 -8.524 1.00 0.00 H new ATOM 1831 N MET B 35 10.921 -2.381 -7.933 1.00 0.00 N ATOM 1832 CA MET B 35 9.951 -1.336 -7.674 1.00 0.00 C ATOM 1833 C MET B 35 8.689 -1.917 -7.036 1.00 0.00 C ATOM 1834 O MET B 35 8.028 -1.258 -6.236 1.00 0.00 O ATOM 1835 CB MET B 35 9.636 -0.590 -8.974 1.00 0.00 C ATOM 1836 CG MET B 35 8.164 -0.308 -9.173 1.00 0.00 C ATOM 1837 SD MET B 35 7.830 0.686 -10.640 1.00 0.00 S ATOM 1838 CE MET B 35 7.370 2.247 -9.892 1.00 0.00 C ATOM 0 H MET B 35 11.316 -2.371 -8.873 1.00 0.00 H new ATOM 0 HA MET B 35 10.371 -0.623 -6.965 1.00 0.00 H new ATOM 0 HB2 MET B 35 10.182 0.354 -8.982 1.00 0.00 H new ATOM 0 HB3 MET B 35 10.001 -1.177 -9.817 1.00 0.00 H new ATOM 0 HG2 MET B 35 7.626 -1.253 -9.251 1.00 0.00 H new ATOM 0 HG3 MET B 35 7.777 0.208 -8.295 1.00 0.00 H new ATOM 0 HE1 MET B 35 7.289 3.011 -10.665 1.00 0.00 H new ATOM 0 HE2 MET B 35 6.411 2.139 -9.386 1.00 0.00 H new ATOM 0 HE3 MET B 35 8.130 2.542 -9.169 1.00 0.00 H new ATOM 1848 N THR B 36 8.373 -3.160 -7.379 1.00 0.00 N ATOM 1849 CA THR B 36 7.201 -3.825 -6.823 1.00 0.00 C ATOM 1850 C THR B 36 7.466 -4.231 -5.376 1.00 0.00 C ATOM 1851 O THR B 36 6.588 -4.127 -4.521 1.00 0.00 O ATOM 1852 CB THR B 36 6.833 -5.063 -7.659 1.00 0.00 C ATOM 1853 OG1 THR B 36 7.665 -5.165 -8.800 1.00 0.00 O ATOM 1854 CG2 THR B 36 5.395 -5.083 -8.141 1.00 0.00 C ATOM 0 H THR B 36 8.909 -3.726 -8.037 1.00 0.00 H new ATOM 0 HA THR B 36 6.363 -3.128 -6.850 1.00 0.00 H new ATOM 0 HB THR B 36 6.975 -5.904 -6.980 1.00 0.00 H new ATOM 0 HG1 THR B 36 8.522 -5.566 -8.545 1.00 0.00 H new ATOM 0 HG21 THR B 36 5.219 -5.988 -8.722 1.00 0.00 H new ATOM 0 HG22 THR B 36 4.723 -5.066 -7.283 1.00 0.00 H new ATOM 0 HG23 THR B 36 5.208 -4.209 -8.765 1.00 0.00 H new ATOM 1862 N GLU B 37 8.686 -4.685 -5.108 1.00 0.00 N ATOM 1863 CA GLU B 37 9.068 -5.095 -3.762 1.00 0.00 C ATOM 1864 C GLU B 37 9.189 -3.876 -2.853 1.00 0.00 C ATOM 1865 O GLU B 37 8.830 -3.925 -1.677 1.00 0.00 O ATOM 1866 CB GLU B 37 10.392 -5.862 -3.794 1.00 0.00 C ATOM 1867 CG GLU B 37 10.378 -7.134 -2.962 1.00 0.00 C ATOM 1868 CD GLU B 37 9.518 -8.222 -3.575 1.00 0.00 C ATOM 1869 OE1 GLU B 37 8.283 -8.042 -3.633 1.00 0.00 O ATOM 1870 OE2 GLU B 37 10.079 -9.255 -3.999 1.00 0.00 O ATOM 0 H GLU B 37 9.426 -4.778 -5.804 1.00 0.00 H new ATOM 0 HA GLU B 37 8.293 -5.752 -3.367 1.00 0.00 H new ATOM 0 HB2 GLU B 37 10.630 -6.116 -4.827 1.00 0.00 H new ATOM 0 HB3 GLU B 37 11.188 -5.211 -3.434 1.00 0.00 H new ATOM 0 HG2 GLU B 37 11.398 -7.502 -2.850 1.00 0.00 H new ATOM 0 HG3 GLU B 37 10.010 -6.906 -1.962 1.00 0.00 H new ATOM 1877 N ILE B 38 9.692 -2.781 -3.414 1.00 0.00 N ATOM 1878 CA ILE B 38 9.858 -1.541 -2.667 1.00 0.00 C ATOM 1879 C ILE B 38 8.508 -0.863 -2.434 1.00 0.00 C ATOM 1880 O ILE B 38 8.183 -0.490 -1.308 1.00 0.00 O ATOM 1881 CB ILE B 38 10.785 -0.560 -3.414 1.00 0.00 C ATOM 1882 CG1 ILE B 38 12.257 -0.973 -3.291 1.00 0.00 C ATOM 1883 CG2 ILE B 38 10.607 0.859 -2.903 1.00 0.00 C ATOM 1884 CD1 ILE B 38 12.880 -1.354 -4.612 1.00 0.00 C ATOM 0 H ILE B 38 9.993 -2.728 -4.387 1.00 0.00 H new ATOM 0 HA ILE B 38 10.308 -1.800 -1.709 1.00 0.00 H new ATOM 0 HB ILE B 38 10.503 -0.594 -4.466 1.00 0.00 H new ATOM 0 HG12 ILE B 38 12.823 -0.151 -2.853 1.00 0.00 H new ATOM 0 HG13 ILE B 38 12.335 -1.815 -2.603 1.00 0.00 H new ATOM 0 HG21 ILE B 38 11.273 1.528 -3.448 1.00 0.00 H new ATOM 0 HG22 ILE B 38 9.574 1.173 -3.054 1.00 0.00 H new ATOM 0 HG23 ILE B 38 10.846 0.896 -1.840 1.00 0.00 H new ATOM 0 HD11 ILE B 38 13.921 -1.636 -4.455 1.00 0.00 H new ATOM 0 HD12 ILE B 38 12.337 -2.196 -5.041 1.00 0.00 H new ATOM 0 HD13 ILE B 38 12.832 -0.506 -5.295 1.00 0.00 H new ATOM 1896 N ILE B 39 7.721 -0.704 -3.502 1.00 0.00 N ATOM 1897 CA ILE B 39 6.415 -0.069 -3.378 1.00 0.00 C ATOM 1898 C ILE B 39 5.520 -0.898 -2.479 1.00 0.00 C ATOM 1899 O ILE B 39 4.710 -0.367 -1.719 1.00 0.00 O ATOM 1900 CB ILE B 39 5.721 0.102 -4.743 1.00 0.00 C ATOM 1901 CG1 ILE B 39 5.382 -1.266 -5.332 1.00 0.00 C ATOM 1902 CG2 ILE B 39 6.594 0.900 -5.695 1.00 0.00 C ATOM 1903 CD1 ILE B 39 3.957 -1.700 -5.063 1.00 0.00 C ATOM 0 H ILE B 39 7.964 -1.003 -4.447 1.00 0.00 H new ATOM 0 HA ILE B 39 6.579 0.920 -2.950 1.00 0.00 H new ATOM 0 HB ILE B 39 4.794 0.657 -4.597 1.00 0.00 H new ATOM 0 HG12 ILE B 39 5.549 -1.241 -6.409 1.00 0.00 H new ATOM 0 HG13 ILE B 39 6.064 -2.010 -4.920 1.00 0.00 H new ATOM 0 HG21 ILE B 39 6.084 1.008 -6.652 1.00 0.00 H new ATOM 0 HG22 ILE B 39 6.786 1.886 -5.273 1.00 0.00 H new ATOM 0 HG23 ILE B 39 7.540 0.379 -5.845 1.00 0.00 H new ATOM 0 HD11 ILE B 39 3.785 -2.679 -5.509 1.00 0.00 H new ATOM 0 HD12 ILE B 39 3.791 -1.757 -3.987 1.00 0.00 H new ATOM 0 HD13 ILE B 39 3.268 -0.977 -5.499 1.00 0.00 H new ATOM 1915 N GLU B 40 5.679 -2.210 -2.574 1.00 0.00 N ATOM 1916 CA GLU B 40 4.896 -3.126 -1.774 1.00 0.00 C ATOM 1917 C GLU B 40 5.463 -3.217 -0.367 1.00 0.00 C ATOM 1918 O GLU B 40 4.751 -3.564 0.576 1.00 0.00 O ATOM 1919 CB GLU B 40 4.864 -4.510 -2.419 1.00 0.00 C ATOM 1920 CG GLU B 40 3.799 -5.422 -1.840 1.00 0.00 C ATOM 1921 CD GLU B 40 4.382 -6.553 -1.014 1.00 0.00 C ATOM 1922 OE1 GLU B 40 5.518 -6.979 -1.309 1.00 0.00 O ATOM 1923 OE2 GLU B 40 3.702 -7.013 -0.072 1.00 0.00 O ATOM 0 H GLU B 40 6.346 -2.660 -3.200 1.00 0.00 H new ATOM 0 HA GLU B 40 3.876 -2.746 -1.717 1.00 0.00 H new ATOM 0 HB2 GLU B 40 4.694 -4.399 -3.490 1.00 0.00 H new ATOM 0 HB3 GLU B 40 5.840 -4.981 -2.298 1.00 0.00 H new ATOM 0 HG2 GLU B 40 3.123 -4.835 -1.219 1.00 0.00 H new ATOM 0 HG3 GLU B 40 3.204 -5.840 -2.652 1.00 0.00 H new ATOM 1930 N GLU B 41 6.743 -2.886 -0.220 1.00 0.00 N ATOM 1931 CA GLU B 41 7.371 -2.919 1.091 1.00 0.00 C ATOM 1932 C GLU B 41 7.082 -1.619 1.831 1.00 0.00 C ATOM 1933 O GLU B 41 6.950 -1.600 3.056 1.00 0.00 O ATOM 1934 CB GLU B 41 8.882 -3.136 0.962 1.00 0.00 C ATOM 1935 CG GLU B 41 9.624 -3.080 2.289 1.00 0.00 C ATOM 1936 CD GLU B 41 11.125 -2.958 2.114 1.00 0.00 C ATOM 1937 OE1 GLU B 41 11.623 -1.814 2.043 1.00 0.00 O ATOM 1938 OE2 GLU B 41 11.803 -4.004 2.048 1.00 0.00 O ATOM 0 H GLU B 41 7.356 -2.596 -0.982 1.00 0.00 H new ATOM 0 HA GLU B 41 6.957 -3.752 1.659 1.00 0.00 H new ATOM 0 HB2 GLU B 41 9.062 -4.105 0.496 1.00 0.00 H new ATOM 0 HB3 GLU B 41 9.293 -2.379 0.294 1.00 0.00 H new ATOM 0 HG2 GLU B 41 9.260 -2.232 2.869 1.00 0.00 H new ATOM 0 HG3 GLU B 41 9.401 -3.979 2.864 1.00 0.00 H new ATOM 1945 N ALA B 42 6.966 -0.533 1.072 1.00 0.00 N ATOM 1946 CA ALA B 42 6.679 0.770 1.654 1.00 0.00 C ATOM 1947 C ALA B 42 5.209 0.877 2.036 1.00 0.00 C ATOM 1948 O ALA B 42 4.872 1.353 3.120 1.00 0.00 O ATOM 1949 CB ALA B 42 7.061 1.879 0.687 1.00 0.00 C ATOM 0 H ALA B 42 7.066 -0.531 0.057 1.00 0.00 H new ATOM 0 HA ALA B 42 7.275 0.880 2.560 1.00 0.00 H new ATOM 0 HB1 ALA B 42 6.840 2.847 1.137 1.00 0.00 H new ATOM 0 HB2 ALA B 42 8.126 1.817 0.465 1.00 0.00 H new ATOM 0 HB3 ALA B 42 6.491 1.770 -0.236 1.00 0.00 H new ATOM 1955 N VAL B 43 4.336 0.419 1.143 1.00 0.00 N ATOM 1956 CA VAL B 43 2.899 0.453 1.394 1.00 0.00 C ATOM 1957 C VAL B 43 2.578 -0.143 2.749 1.00 0.00 C ATOM 1958 O VAL B 43 2.029 0.517 3.631 1.00 0.00 O ATOM 1959 CB VAL B 43 2.109 -0.338 0.322 1.00 0.00 C ATOM 1960 CG1 VAL B 43 2.729 -1.692 0.061 1.00 0.00 C ATOM 1961 CG2 VAL B 43 0.663 -0.518 0.737 1.00 0.00 C ATOM 0 H VAL B 43 4.598 0.021 0.241 1.00 0.00 H new ATOM 0 HA VAL B 43 2.602 1.501 1.360 1.00 0.00 H new ATOM 0 HB VAL B 43 2.149 0.246 -0.598 1.00 0.00 H new ATOM 0 HG11 VAL B 43 2.148 -2.218 -0.696 1.00 0.00 H new ATOM 0 HG12 VAL B 43 3.752 -1.562 -0.292 1.00 0.00 H new ATOM 0 HG13 VAL B 43 2.735 -2.273 0.983 1.00 0.00 H new ATOM 0 HG21 VAL B 43 0.130 -1.076 -0.033 1.00 0.00 H new ATOM 0 HG22 VAL B 43 0.620 -1.066 1.678 1.00 0.00 H new ATOM 0 HG23 VAL B 43 0.197 0.459 0.865 1.00 0.00 H new ATOM 1971 N VAL B 44 2.925 -1.404 2.889 1.00 0.00 N ATOM 1972 CA VAL B 44 2.687 -2.136 4.112 1.00 0.00 C ATOM 1973 C VAL B 44 3.366 -1.445 5.286 1.00 0.00 C ATOM 1974 O VAL B 44 2.812 -1.369 6.378 1.00 0.00 O ATOM 1975 CB VAL B 44 3.181 -3.591 3.967 1.00 0.00 C ATOM 1976 CG1 VAL B 44 3.856 -4.096 5.238 1.00 0.00 C ATOM 1977 CG2 VAL B 44 2.036 -4.507 3.569 1.00 0.00 C ATOM 0 H VAL B 44 3.380 -1.950 2.157 1.00 0.00 H new ATOM 0 HA VAL B 44 1.615 -2.157 4.307 1.00 0.00 H new ATOM 0 HB VAL B 44 3.931 -3.601 3.176 1.00 0.00 H new ATOM 0 HG11 VAL B 44 4.188 -5.124 5.090 1.00 0.00 H new ATOM 0 HG12 VAL B 44 4.716 -3.467 5.468 1.00 0.00 H new ATOM 0 HG13 VAL B 44 3.148 -4.059 6.066 1.00 0.00 H new ATOM 0 HG21 VAL B 44 2.404 -5.528 3.472 1.00 0.00 H new ATOM 0 HG22 VAL B 44 1.260 -4.472 4.333 1.00 0.00 H new ATOM 0 HG23 VAL B 44 1.622 -4.178 2.616 1.00 0.00 H new ATOM 1987 N MET B 45 4.565 -0.937 5.051 1.00 0.00 N ATOM 1988 CA MET B 45 5.304 -0.250 6.097 1.00 0.00 C ATOM 1989 C MET B 45 4.550 0.990 6.565 1.00 0.00 C ATOM 1990 O MET B 45 4.598 1.340 7.745 1.00 0.00 O ATOM 1991 CB MET B 45 6.705 0.126 5.598 1.00 0.00 C ATOM 1992 CG MET B 45 7.370 1.243 6.392 1.00 0.00 C ATOM 1993 SD MET B 45 7.041 2.875 5.701 1.00 0.00 S ATOM 1994 CE MET B 45 7.423 3.922 7.103 1.00 0.00 C ATOM 0 H MET B 45 5.044 -0.987 4.152 1.00 0.00 H new ATOM 0 HA MET B 45 5.407 -0.924 6.947 1.00 0.00 H new ATOM 0 HB2 MET B 45 7.341 -0.759 5.634 1.00 0.00 H new ATOM 0 HB3 MET B 45 6.638 0.428 4.553 1.00 0.00 H new ATOM 0 HG2 MET B 45 7.017 1.211 7.423 1.00 0.00 H new ATOM 0 HG3 MET B 45 8.446 1.074 6.418 1.00 0.00 H new ATOM 0 HE1 MET B 45 7.216 4.961 6.848 1.00 0.00 H new ATOM 0 HE2 MET B 45 6.809 3.628 7.954 1.00 0.00 H new ATOM 0 HE3 MET B 45 8.477 3.814 7.361 1.00 0.00 H new ATOM 2004 N TRP B 46 3.852 1.656 5.650 1.00 0.00 N ATOM 2005 CA TRP B 46 3.102 2.849 6.016 1.00 0.00 C ATOM 2006 C TRP B 46 1.903 2.481 6.876 1.00 0.00 C ATOM 2007 O TRP B 46 1.719 3.023 7.964 1.00 0.00 O ATOM 2008 CB TRP B 46 2.644 3.615 4.776 1.00 0.00 C ATOM 2009 CG TRP B 46 2.181 5.004 5.090 1.00 0.00 C ATOM 2010 CD1 TRP B 46 0.986 5.570 4.750 1.00 0.00 C ATOM 2011 CD2 TRP B 46 2.905 6.002 5.819 1.00 0.00 C ATOM 2012 NE1 TRP B 46 0.925 6.860 5.219 1.00 0.00 N ATOM 2013 CE2 TRP B 46 2.092 7.148 5.880 1.00 0.00 C ATOM 2014 CE3 TRP B 46 4.164 6.036 6.426 1.00 0.00 C ATOM 2015 CZ2 TRP B 46 2.496 8.314 6.523 1.00 0.00 C ATOM 2016 CZ3 TRP B 46 4.564 7.195 7.064 1.00 0.00 C ATOM 2017 CH2 TRP B 46 3.733 8.320 7.108 1.00 0.00 C ATOM 0 H TRP B 46 3.791 1.394 4.666 1.00 0.00 H new ATOM 0 HA TRP B 46 3.764 3.496 6.591 1.00 0.00 H new ATOM 0 HB2 TRP B 46 3.465 3.664 4.061 1.00 0.00 H new ATOM 0 HB3 TRP B 46 1.834 3.067 4.295 1.00 0.00 H new ATOM 0 HD1 TRP B 46 0.203 5.076 4.194 1.00 0.00 H new ATOM 0 HE1 TRP B 46 0.140 7.499 5.096 1.00 0.00 H new ATOM 0 HE3 TRP B 46 4.812 5.173 6.397 1.00 0.00 H new ATOM 0 HZ2 TRP B 46 1.856 9.183 6.559 1.00 0.00 H new ATOM 0 HZ3 TRP B 46 5.534 7.233 7.537 1.00 0.00 H new ATOM 0 HH2 TRP B 46 4.075 9.211 7.614 1.00 0.00 H new ATOM 2028 N LEU B 47 1.091 1.547 6.392 1.00 0.00 N ATOM 2029 CA LEU B 47 -0.080 1.111 7.142 1.00 0.00 C ATOM 2030 C LEU B 47 0.327 0.605 8.510 1.00 0.00 C ATOM 2031 O LEU B 47 -0.316 0.902 9.517 1.00 0.00 O ATOM 2032 CB LEU B 47 -0.829 -0.016 6.428 1.00 0.00 C ATOM 2033 CG LEU B 47 0.016 -0.960 5.576 1.00 0.00 C ATOM 2034 CD1 LEU B 47 0.273 -2.245 6.341 1.00 0.00 C ATOM 2035 CD2 LEU B 47 -0.679 -1.252 4.253 1.00 0.00 C ATOM 0 H LEU B 47 1.220 1.082 5.493 1.00 0.00 H new ATOM 0 HA LEU B 47 -0.735 1.978 7.230 1.00 0.00 H new ATOM 0 HB2 LEU B 47 -1.351 -0.609 7.179 1.00 0.00 H new ATOM 0 HB3 LEU B 47 -1.591 0.431 5.789 1.00 0.00 H new ATOM 0 HG LEU B 47 0.971 -0.482 5.356 1.00 0.00 H new ATOM 0 HD11 LEU B 47 0.876 -2.917 5.731 1.00 0.00 H new ATOM 0 HD12 LEU B 47 0.805 -2.018 7.265 1.00 0.00 H new ATOM 0 HD13 LEU B 47 -0.677 -2.724 6.577 1.00 0.00 H new ATOM 0 HD21 LEU B 47 -0.062 -1.926 3.659 1.00 0.00 H new ATOM 0 HD22 LEU B 47 -1.645 -1.718 4.445 1.00 0.00 H new ATOM 0 HD23 LEU B 47 -0.828 -0.321 3.707 1.00 0.00 H new ATOM 2047 N ILE B 48 1.388 -0.181 8.531 1.00 0.00 N ATOM 2048 CA ILE B 48 1.877 -0.756 9.758 1.00 0.00 C ATOM 2049 C ILE B 48 2.325 0.314 10.734 1.00 0.00 C ATOM 2050 O ILE B 48 1.964 0.284 11.909 1.00 0.00 O ATOM 2051 CB ILE B 48 3.040 -1.716 9.459 1.00 0.00 C ATOM 2052 CG1 ILE B 48 2.599 -3.151 9.665 1.00 0.00 C ATOM 2053 CG2 ILE B 48 4.248 -1.412 10.328 1.00 0.00 C ATOM 2054 CD1 ILE B 48 1.329 -3.530 8.928 1.00 0.00 C ATOM 0 H ILE B 48 1.927 -0.434 7.703 1.00 0.00 H new ATOM 0 HA ILE B 48 1.059 -1.308 10.220 1.00 0.00 H new ATOM 0 HB ILE B 48 3.331 -1.575 8.418 1.00 0.00 H new ATOM 0 HG12 ILE B 48 3.402 -3.814 9.344 1.00 0.00 H new ATOM 0 HG13 ILE B 48 2.451 -3.323 10.731 1.00 0.00 H new ATOM 0 HG21 ILE B 48 5.052 -2.109 10.091 1.00 0.00 H new ATOM 0 HG22 ILE B 48 4.585 -0.393 10.139 1.00 0.00 H new ATOM 0 HG23 ILE B 48 3.976 -1.516 11.378 1.00 0.00 H new ATOM 0 HD11 ILE B 48 1.087 -4.573 9.132 1.00 0.00 H new ATOM 0 HD12 ILE B 48 0.510 -2.895 9.265 1.00 0.00 H new ATOM 0 HD13 ILE B 48 1.476 -3.394 7.856 1.00 0.00 H new ATOM 2066 N GLN B 49 3.128 1.244 10.252 1.00 0.00 N ATOM 2067 CA GLN B 49 3.634 2.294 11.106 1.00 0.00 C ATOM 2068 C GLN B 49 2.530 3.274 11.495 1.00 0.00 C ATOM 2069 O GLN B 49 2.698 4.070 12.419 1.00 0.00 O ATOM 2070 CB GLN B 49 4.788 3.037 10.427 1.00 0.00 C ATOM 2071 CG GLN B 49 4.355 3.926 9.270 1.00 0.00 C ATOM 2072 CD GLN B 49 4.868 5.346 9.404 1.00 0.00 C ATOM 2073 OE1 GLN B 49 6.061 5.605 9.249 1.00 0.00 O ATOM 2074 NE2 GLN B 49 3.965 6.276 9.693 1.00 0.00 N ATOM 0 H GLN B 49 3.440 1.292 9.282 1.00 0.00 H new ATOM 0 HA GLN B 49 4.008 1.826 12.017 1.00 0.00 H new ATOM 0 HB2 GLN B 49 5.300 3.648 11.170 1.00 0.00 H new ATOM 0 HB3 GLN B 49 5.511 2.308 10.061 1.00 0.00 H new ATOM 0 HG2 GLN B 49 4.716 3.500 8.334 1.00 0.00 H new ATOM 0 HG3 GLN B 49 3.266 3.940 9.215 1.00 0.00 H new ATOM 0 HE21 GLN B 49 2.986 6.016 9.813 1.00 0.00 H new ATOM 0 HE22 GLN B 49 4.251 7.250 9.795 1.00 0.00 H new ATOM 2083 N ASN B 50 1.407 3.230 10.779 1.00 0.00 N ATOM 2084 CA ASN B 50 0.302 4.139 11.060 1.00 0.00 C ATOM 2085 C ASN B 50 -0.758 3.496 11.948 1.00 0.00 C ATOM 2086 O ASN B 50 -1.174 4.079 12.947 1.00 0.00 O ATOM 2087 CB ASN B 50 -0.332 4.627 9.755 1.00 0.00 C ATOM 2088 CG ASN B 50 -1.157 5.884 9.948 1.00 0.00 C ATOM 2089 OD1 ASN B 50 -1.141 6.492 11.018 1.00 0.00 O ATOM 2090 ND2 ASN B 50 -1.884 6.280 8.910 1.00 0.00 N ATOM 0 H ASN B 50 1.241 2.582 10.009 1.00 0.00 H new ATOM 0 HA ASN B 50 0.714 4.990 11.602 1.00 0.00 H new ATOM 0 HB2 ASN B 50 0.452 4.819 9.023 1.00 0.00 H new ATOM 0 HB3 ASN B 50 -0.965 3.840 9.345 1.00 0.00 H new ATOM 0 HD21 ASN B 50 -2.459 7.119 8.981 1.00 0.00 H new ATOM 0 HD22 ASN B 50 -1.867 5.745 8.042 1.00 0.00 H new ATOM 2097 N LYS B 51 -1.202 2.306 11.574 1.00 0.00 N ATOM 2098 CA LYS B 51 -2.231 1.600 12.336 1.00 0.00 C ATOM 2099 C LYS B 51 -1.738 1.212 13.729 1.00 0.00 C ATOM 2100 O LYS B 51 -2.316 1.615 14.738 1.00 0.00 O ATOM 2101 CB LYS B 51 -2.683 0.348 11.581 1.00 0.00 C ATOM 2102 CG LYS B 51 -4.188 0.275 11.367 1.00 0.00 C ATOM 2103 CD LYS B 51 -4.698 1.414 10.490 1.00 0.00 C ATOM 2104 CE LYS B 51 -3.776 1.690 9.307 1.00 0.00 C ATOM 2105 NZ LYS B 51 -3.429 0.449 8.559 1.00 0.00 N ATOM 0 H LYS B 51 -0.869 1.806 10.750 1.00 0.00 H new ATOM 0 HA LYS B 51 -3.075 2.280 12.455 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -2.185 0.319 10.612 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -2.360 -0.535 12.132 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -4.442 -0.679 10.906 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -4.693 0.307 12.332 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -5.694 1.168 10.122 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -4.794 2.318 11.092 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -4.258 2.396 8.631 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -2.862 2.164 9.665 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -2.404 0.424 8.385 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -3.706 -0.383 9.119 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -3.935 0.438 7.650 1.00 0.00 H new ATOM 2119 N GLU B 52 -0.681 0.409 13.773 1.00 0.00 N ATOM 2120 CA GLU B 52 -0.114 -0.062 15.034 1.00 0.00 C ATOM 2121 C GLU B 52 0.042 1.061 16.055 1.00 0.00 C ATOM 2122 O GLU B 52 -0.319 0.905 17.222 1.00 0.00 O ATOM 2123 CB GLU B 52 1.244 -0.716 14.787 1.00 0.00 C ATOM 2124 CG GLU B 52 1.153 -2.191 14.429 1.00 0.00 C ATOM 2125 CD GLU B 52 1.634 -2.483 13.021 1.00 0.00 C ATOM 2126 OE1 GLU B 52 2.849 -2.718 12.845 1.00 0.00 O ATOM 2127 OE2 GLU B 52 0.797 -2.480 12.094 1.00 0.00 O ATOM 0 H GLU B 52 -0.195 0.068 12.944 1.00 0.00 H new ATOM 0 HA GLU B 52 -0.812 -0.791 15.446 1.00 0.00 H new ATOM 0 HB2 GLU B 52 1.752 -0.186 13.981 1.00 0.00 H new ATOM 0 HB3 GLU B 52 1.859 -0.605 15.680 1.00 0.00 H new ATOM 0 HG2 GLU B 52 1.745 -2.770 15.138 1.00 0.00 H new ATOM 0 HG3 GLU B 52 0.120 -2.522 14.531 1.00 0.00 H new ATOM 2134 N LYS B 53 0.600 2.179 15.618 1.00 0.00 N ATOM 2135 CA LYS B 53 0.828 3.314 16.507 1.00 0.00 C ATOM 2136 C LYS B 53 -0.018 4.524 16.122 1.00 0.00 C ATOM 2137 O LYS B 53 0.381 5.659 16.369 1.00 0.00 O ATOM 2138 CB LYS B 53 2.308 3.699 16.501 1.00 0.00 C ATOM 2139 CG LYS B 53 2.812 4.160 15.143 1.00 0.00 C ATOM 2140 CD LYS B 53 3.687 5.399 15.262 1.00 0.00 C ATOM 2141 CE LYS B 53 2.959 6.645 14.783 1.00 0.00 C ATOM 2142 NZ LYS B 53 3.900 7.760 14.492 1.00 0.00 N ATOM 0 H LYS B 53 0.904 2.328 14.656 1.00 0.00 H new ATOM 0 HA LYS B 53 0.530 3.005 17.509 1.00 0.00 H new ATOM 0 HB2 LYS B 53 2.471 4.494 17.229 1.00 0.00 H new ATOM 0 HB3 LYS B 53 2.899 2.843 16.827 1.00 0.00 H new ATOM 0 HG2 LYS B 53 3.379 3.357 14.673 1.00 0.00 H new ATOM 0 HG3 LYS B 53 1.964 4.374 14.493 1.00 0.00 H new ATOM 0 HD2 LYS B 53 3.992 5.531 16.300 1.00 0.00 H new ATOM 0 HD3 LYS B 53 4.596 5.261 14.677 1.00 0.00 H new ATOM 0 HE2 LYS B 53 2.387 6.409 13.886 1.00 0.00 H new ATOM 0 HE3 LYS B 53 2.244 6.962 15.542 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 3.364 8.591 14.168 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 4.428 8.003 15.355 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 4.566 7.467 13.749 1.00 0.00 H new ATOM 2156 N LEU B 54 -1.186 4.283 15.526 1.00 0.00 N ATOM 2157 CA LEU B 54 -2.075 5.373 15.119 1.00 0.00 C ATOM 2158 C LEU B 54 -2.371 6.296 16.301 1.00 0.00 C ATOM 2159 O LEU B 54 -3.203 5.978 17.151 1.00 0.00 O ATOM 2160 CB LEU B 54 -3.387 4.811 14.566 1.00 0.00 C ATOM 2161 CG LEU B 54 -4.243 5.815 13.792 1.00 0.00 C ATOM 2162 CD1 LEU B 54 -3.833 5.850 12.328 1.00 0.00 C ATOM 2163 CD2 LEU B 54 -5.718 5.468 13.926 1.00 0.00 C ATOM 0 H LEU B 54 -1.538 3.349 15.315 1.00 0.00 H new ATOM 0 HA LEU B 54 -1.574 5.947 14.339 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -3.158 3.970 13.911 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -3.975 4.418 15.395 1.00 0.00 H new ATOM 0 HG LEU B 54 -4.081 6.806 14.216 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -4.453 6.570 11.794 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -2.786 6.144 12.250 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -3.965 4.861 11.889 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -6.314 6.192 13.370 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -5.895 4.469 13.527 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -6.004 5.494 14.978 1.00 0.00 H new ATOM 2175 N PRO B 55 -1.686 7.452 16.377 1.00 0.00 N ATOM 2176 CA PRO B 55 -1.868 8.416 17.461 1.00 0.00 C ATOM 2177 C PRO B 55 -3.106 9.283 17.264 1.00 0.00 C ATOM 2178 O PRO B 55 -3.568 9.479 16.141 1.00 0.00 O ATOM 2179 CB PRO B 55 -0.594 9.280 17.403 1.00 0.00 C ATOM 2180 CG PRO B 55 0.256 8.689 16.320 1.00 0.00 C ATOM 2181 CD PRO B 55 -0.676 7.925 15.427 1.00 0.00 C ATOM 0 HA PRO B 55 -2.015 7.919 18.420 1.00 0.00 H new ATOM 0 HB2 PRO B 55 -0.837 10.320 17.185 1.00 0.00 H new ATOM 0 HB3 PRO B 55 -0.071 9.269 18.359 1.00 0.00 H new ATOM 0 HG2 PRO B 55 0.776 9.469 15.764 1.00 0.00 H new ATOM 0 HG3 PRO B 55 1.019 8.033 16.738 1.00 0.00 H new ATOM 0 HD2 PRO B 55 -1.109 8.557 14.652 1.00 0.00 H new ATOM 0 HD3 PRO B 55 -0.173 7.101 14.922 1.00 0.00 H new ATOM 2189 N ASN B 56 -3.631 9.810 18.364 1.00 0.00 N ATOM 2190 CA ASN B 56 -4.806 10.669 18.311 1.00 0.00 C ATOM 2191 C ASN B 56 -4.434 12.053 17.786 1.00 0.00 C ATOM 2192 O ASN B 56 -5.277 12.773 17.249 1.00 0.00 O ATOM 2193 CB ASN B 56 -5.441 10.787 19.698 1.00 0.00 C ATOM 2194 CG ASN B 56 -6.953 10.686 19.652 1.00 0.00 C ATOM 2195 OD1 ASN B 56 -7.562 10.791 18.587 1.00 0.00 O ATOM 2196 ND2 ASN B 56 -7.568 10.479 20.811 1.00 0.00 N ATOM 0 H ASN B 56 -3.261 9.657 19.302 1.00 0.00 H new ATOM 0 HA ASN B 56 -5.529 10.221 17.630 1.00 0.00 H new ATOM 0 HB2 ASN B 56 -5.047 10.002 20.343 1.00 0.00 H new ATOM 0 HB3 ASN B 56 -5.157 11.740 20.145 1.00 0.00 H new ATOM 0 HD21 ASN B 56 -8.585 10.401 20.842 1.00 0.00 H new ATOM 0 HD22 ASN B 56 -7.024 10.398 21.670 1.00 0.00 H new ATOM 2203 N GLU B 57 -3.163 12.419 17.946 1.00 0.00 N ATOM 2204 CA GLU B 57 -2.674 13.714 17.488 1.00 0.00 C ATOM 2205 C GLU B 57 -2.280 13.664 16.014 1.00 0.00 C ATOM 2206 O GLU B 57 -2.242 14.694 15.340 1.00 0.00 O ATOM 2207 CB GLU B 57 -1.478 14.156 18.334 1.00 0.00 C ATOM 2208 CG GLU B 57 -0.266 13.250 18.194 1.00 0.00 C ATOM 2209 CD GLU B 57 0.721 13.417 19.333 1.00 0.00 C ATOM 2210 OE1 GLU B 57 1.936 13.503 19.058 1.00 0.00 O ATOM 2211 OE2 GLU B 57 0.278 13.461 20.501 1.00 0.00 O ATOM 0 H GLU B 57 -2.454 11.835 18.390 1.00 0.00 H new ATOM 0 HA GLU B 57 -3.481 14.438 17.601 1.00 0.00 H new ATOM 0 HB2 GLU B 57 -1.198 15.170 18.050 1.00 0.00 H new ATOM 0 HB3 GLU B 57 -1.777 14.189 19.382 1.00 0.00 H new ATOM 0 HG2 GLU B 57 -0.596 12.212 18.153 1.00 0.00 H new ATOM 0 HG3 GLU B 57 0.235 13.463 17.250 1.00 0.00 H new ATOM 2218 N LEU B 58 -1.985 12.465 15.517 1.00 0.00 N ATOM 2219 CA LEU B 58 -1.596 12.294 14.120 1.00 0.00 C ATOM 2220 C LEU B 58 -2.819 12.247 13.210 1.00 0.00 C ATOM 2221 O LEU B 58 -2.705 12.467 12.005 1.00 0.00 O ATOM 2222 CB LEU B 58 -0.772 11.019 13.940 1.00 0.00 C ATOM 2223 CG LEU B 58 0.645 11.237 13.406 1.00 0.00 C ATOM 2224 CD1 LEU B 58 1.625 11.432 14.551 1.00 0.00 C ATOM 2225 CD2 LEU B 58 1.069 10.068 12.531 1.00 0.00 C ATOM 0 H LEU B 58 -2.008 11.601 16.059 1.00 0.00 H new ATOM 0 HA LEU B 58 -0.987 13.154 13.841 1.00 0.00 H new ATOM 0 HB2 LEU B 58 -0.708 10.507 14.900 1.00 0.00 H new ATOM 0 HB3 LEU B 58 -1.303 10.354 13.259 1.00 0.00 H new ATOM 0 HG LEU B 58 0.648 12.141 12.797 1.00 0.00 H new ATOM 0 HD11 LEU B 58 2.627 11.585 14.150 1.00 0.00 H new ATOM 0 HD12 LEU B 58 1.331 12.303 15.137 1.00 0.00 H new ATOM 0 HD13 LEU B 58 1.621 10.548 15.188 1.00 0.00 H new ATOM 0 HD21 LEU B 58 2.079 10.239 12.159 1.00 0.00 H new ATOM 0 HD22 LEU B 58 1.049 9.149 13.117 1.00 0.00 H new ATOM 0 HD23 LEU B 58 0.383 9.977 11.689 1.00 0.00 H new ATOM 2237 N LYS B 59 -3.984 11.954 13.791 1.00 0.00 N ATOM 2238 CA LYS B 59 -5.230 11.874 13.029 1.00 0.00 C ATOM 2239 C LYS B 59 -5.285 12.945 11.937 1.00 0.00 C ATOM 2240 O LYS B 59 -5.501 12.631 10.767 1.00 0.00 O ATOM 2241 CB LYS B 59 -6.437 12.006 13.962 1.00 0.00 C ATOM 2242 CG LYS B 59 -7.773 11.969 13.237 1.00 0.00 C ATOM 2243 CD LYS B 59 -8.936 11.874 14.214 1.00 0.00 C ATOM 2244 CE LYS B 59 -9.635 13.213 14.383 1.00 0.00 C ATOM 2245 NZ LYS B 59 -11.117 13.078 14.320 1.00 0.00 N ATOM 0 H LYS B 59 -4.090 11.768 14.788 1.00 0.00 H new ATOM 0 HA LYS B 59 -5.262 10.898 12.545 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -6.409 11.200 14.696 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -6.358 12.943 14.514 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -7.882 12.865 12.627 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -7.796 11.116 12.558 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -9.651 11.132 13.859 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -8.572 11.528 15.181 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -9.351 13.653 15.339 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -9.300 13.898 13.605 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -11.556 14.013 14.439 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -11.391 12.682 13.398 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -11.440 12.444 15.079 1.00 0.00 H new ATOM 2259 N PRO B 60 -5.084 14.227 12.297 1.00 0.00 N ATOM 2260 CA PRO B 60 -5.109 15.320 11.322 1.00 0.00 C ATOM 2261 C PRO B 60 -3.900 15.291 10.393 1.00 0.00 C ATOM 2262 O PRO B 60 -3.983 15.722 9.242 1.00 0.00 O ATOM 2263 CB PRO B 60 -5.088 16.577 12.192 1.00 0.00 C ATOM 2264 CG PRO B 60 -4.417 16.150 13.450 1.00 0.00 C ATOM 2265 CD PRO B 60 -4.816 14.716 13.665 1.00 0.00 C ATOM 0 HA PRO B 60 -5.976 15.260 10.664 1.00 0.00 H new ATOM 0 HB2 PRO B 60 -4.543 17.386 11.707 1.00 0.00 H new ATOM 0 HB3 PRO B 60 -6.096 16.943 12.385 1.00 0.00 H new ATOM 0 HG2 PRO B 60 -3.334 16.246 13.367 1.00 0.00 H new ATOM 0 HG3 PRO B 60 -4.729 16.772 14.289 1.00 0.00 H new ATOM 0 HD2 PRO B 60 -4.022 14.146 14.147 1.00 0.00 H new ATOM 0 HD3 PRO B 60 -5.698 14.635 14.301 1.00 0.00 H new ATOM 2273 N LYS B 61 -2.781 14.776 10.891 1.00 0.00 N ATOM 2274 CA LYS B 61 -1.567 14.691 10.091 1.00 0.00 C ATOM 2275 C LYS B 61 -1.790 13.798 8.877 1.00 0.00 C ATOM 2276 O LYS B 61 -1.132 13.956 7.849 1.00 0.00 O ATOM 2277 CB LYS B 61 -0.395 14.164 10.920 1.00 0.00 C ATOM 2278 CG LYS B 61 0.950 14.313 10.223 1.00 0.00 C ATOM 2279 CD LYS B 61 1.249 13.120 9.326 1.00 0.00 C ATOM 2280 CE LYS B 61 2.412 12.298 9.859 1.00 0.00 C ATOM 2281 NZ LYS B 61 3.679 12.593 9.134 1.00 0.00 N ATOM 0 H LYS B 61 -2.690 14.413 11.840 1.00 0.00 H new ATOM 0 HA LYS B 61 -1.321 15.697 9.751 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -0.364 14.695 11.872 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -0.564 13.111 11.148 1.00 0.00 H new ATOM 0 HG2 LYS B 61 0.954 15.226 9.628 1.00 0.00 H new ATOM 0 HG3 LYS B 61 1.738 14.415 10.969 1.00 0.00 H new ATOM 0 HD2 LYS B 61 0.363 12.490 9.249 1.00 0.00 H new ATOM 0 HD3 LYS B 61 1.480 13.469 8.320 1.00 0.00 H new ATOM 0 HE2 LYS B 61 2.545 12.504 10.921 1.00 0.00 H new ATOM 0 HE3 LYS B 61 2.179 11.237 9.766 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 3.953 11.768 8.563 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 3.539 13.414 8.511 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 4.431 12.804 9.821 1.00 0.00 H new ATOM 2295 N ILE B 62 -2.734 12.866 8.989 1.00 0.00 N ATOM 2296 CA ILE B 62 -3.044 11.972 7.882 1.00 0.00 C ATOM 2297 C ILE B 62 -3.332 12.798 6.633 1.00 0.00 C ATOM 2298 O ILE B 62 -2.960 12.422 5.518 1.00 0.00 O ATOM 2299 CB ILE B 62 -4.242 11.051 8.224 1.00 0.00 C ATOM 2300 CG1 ILE B 62 -3.739 9.766 8.887 1.00 0.00 C ATOM 2301 CG2 ILE B 62 -5.066 10.720 6.985 1.00 0.00 C ATOM 2302 CD1 ILE B 62 -2.742 10.013 10.000 1.00 0.00 C ATOM 0 H ILE B 62 -3.292 12.713 9.829 1.00 0.00 H new ATOM 0 HA ILE B 62 -2.184 11.328 7.696 1.00 0.00 H new ATOM 0 HB ILE B 62 -4.891 11.585 8.918 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -4.590 9.216 9.288 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -3.277 9.132 8.130 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -5.897 10.072 7.263 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -5.453 11.641 6.549 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -4.437 10.210 6.255 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -2.428 9.060 10.425 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -1.873 10.536 9.601 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -3.207 10.621 10.776 1.00 0.00 H new ATOM 2314 N ASP B 63 -3.958 13.954 6.838 1.00 0.00 N ATOM 2315 CA ASP B 63 -4.250 14.858 5.745 1.00 0.00 C ATOM 2316 C ASP B 63 -2.936 15.386 5.197 1.00 0.00 C ATOM 2317 O ASP B 63 -2.754 15.508 3.988 1.00 0.00 O ATOM 2318 CB ASP B 63 -5.137 16.012 6.221 1.00 0.00 C ATOM 2319 CG ASP B 63 -6.361 16.199 5.349 1.00 0.00 C ATOM 2320 OD1 ASP B 63 -6.878 15.188 4.826 1.00 0.00 O ATOM 2321 OD2 ASP B 63 -6.807 17.355 5.189 1.00 0.00 O ATOM 0 H ASP B 63 -4.270 14.281 7.753 1.00 0.00 H new ATOM 0 HA ASP B 63 -4.792 14.328 4.962 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -5.451 15.825 7.248 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -4.556 16.934 6.228 1.00 0.00 H new ATOM 2326 N GLU B 64 -2.007 15.662 6.114 1.00 0.00 N ATOM 2327 CA GLU B 64 -0.684 16.143 5.744 1.00 0.00 C ATOM 2328 C GLU B 64 -0.022 15.139 4.809 1.00 0.00 C ATOM 2329 O GLU B 64 0.550 15.509 3.788 1.00 0.00 O ATOM 2330 CB GLU B 64 0.174 16.361 6.996 1.00 0.00 C ATOM 2331 CG GLU B 64 0.417 17.826 7.319 1.00 0.00 C ATOM 2332 CD GLU B 64 -0.370 18.296 8.527 1.00 0.00 C ATOM 2333 OE1 GLU B 64 0.257 18.790 9.487 1.00 0.00 O ATOM 2334 OE2 GLU B 64 -1.612 18.169 8.512 1.00 0.00 O ATOM 0 H GLU B 64 -2.151 15.559 7.118 1.00 0.00 H new ATOM 0 HA GLU B 64 -0.780 17.099 5.229 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -0.313 15.886 7.847 1.00 0.00 H new ATOM 0 HB3 GLU B 64 1.134 15.863 6.860 1.00 0.00 H new ATOM 0 HG2 GLU B 64 1.480 17.983 7.500 1.00 0.00 H new ATOM 0 HG3 GLU B 64 0.147 18.434 6.455 1.00 0.00 H new ATOM 2341 N ILE B 65 -0.137 13.862 5.157 1.00 0.00 N ATOM 2342 CA ILE B 65 0.418 12.786 4.344 1.00 0.00 C ATOM 2343 C ILE B 65 -0.132 12.863 2.926 1.00 0.00 C ATOM 2344 O ILE B 65 0.586 12.627 1.957 1.00 0.00 O ATOM 2345 CB ILE B 65 0.068 11.408 4.945 1.00 0.00 C ATOM 2346 CG1 ILE B 65 0.502 11.351 6.409 1.00 0.00 C ATOM 2347 CG2 ILE B 65 0.727 10.291 4.149 1.00 0.00 C ATOM 2348 CD1 ILE B 65 1.965 11.675 6.599 1.00 0.00 C ATOM 0 H ILE B 65 -0.613 13.546 6.002 1.00 0.00 H new ATOM 0 HA ILE B 65 1.502 12.903 4.326 1.00 0.00 H new ATOM 0 HB ILE B 65 -1.012 11.269 4.893 1.00 0.00 H new ATOM 0 HG12 ILE B 65 -0.099 12.052 6.989 1.00 0.00 H new ATOM 0 HG13 ILE B 65 0.301 10.355 6.804 1.00 0.00 H new ATOM 0 HG21 ILE B 65 0.467 9.328 4.589 1.00 0.00 H new ATOM 0 HG22 ILE B 65 0.377 10.324 3.117 1.00 0.00 H new ATOM 0 HG23 ILE B 65 1.809 10.419 4.169 1.00 0.00 H new ATOM 0 HD11 ILE B 65 2.216 11.619 7.658 1.00 0.00 H new ATOM 0 HD12 ILE B 65 2.571 10.959 6.044 1.00 0.00 H new ATOM 0 HD13 ILE B 65 2.165 12.681 6.232 1.00 0.00 H new ATOM 2360 N SER B 66 -1.416 13.197 2.822 1.00 0.00 N ATOM 2361 CA SER B 66 -2.078 13.306 1.528 1.00 0.00 C ATOM 2362 C SER B 66 -1.743 14.627 0.836 1.00 0.00 C ATOM 2363 O SER B 66 -1.268 14.635 -0.299 1.00 0.00 O ATOM 2364 CB SER B 66 -3.592 13.177 1.696 1.00 0.00 C ATOM 2365 OG SER B 66 -4.238 13.077 0.439 1.00 0.00 O ATOM 0 H SER B 66 -2.018 13.397 3.621 1.00 0.00 H new ATOM 0 HA SER B 66 -1.713 12.493 0.900 1.00 0.00 H new ATOM 0 HB2 SER B 66 -3.821 12.297 2.297 1.00 0.00 H new ATOM 0 HB3 SER B 66 -3.976 14.041 2.238 1.00 0.00 H new ATOM 0 HG SER B 66 -5.205 12.994 0.574 1.00 0.00 H new