USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 722 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 87 THR OG1 : rot -107:sc= 0.688 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -1.37 K(o=-0.68,f=-5.2) USER MOD Set 2.1: A 17 HIS : no HD1:sc= 0.518 K(o=0.69,f=-1.9) USER MOD Set 2.2: A 20 LYS NZ :NH3+ -170:sc= 0.174 (180deg=-0.777) USER MOD Single : A 10 ASN : amide:sc= -7.08! C(o=-7.1!,f=-2.2!) USER MOD Single : A 12 LYS NZ :NH3+ -162:sc= -0.0395 (180deg=-0.302) USER MOD Single : A 16 THR OG1 : rot -170:sc= 0.197 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.727 USER MOD Single : A 22 THR OG1 : rot 46:sc= 0.416 USER MOD Single : A 25 HIS : no HE2:sc= -2.11 K(o=-2.1,f=-6.2!) USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= -0.0321 (180deg=-0.309) USER MOD Single : A 29 ASN : amide:sc= -0.0311 K(o=-0.031,f=-1.2) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -110:sc= -1.94 (180deg=-6.61!) USER MOD Single : A 37 THR OG1 : rot 100:sc= -0.436 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= -1.72! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.139 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.577 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -119:sc= 1.21 (180deg=-0.279) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 86 HIS : no HE2:sc= -6.29! C(o=-6.3!,f=-12!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 33:sc= -2.15! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -5.96! C(o=-6!,f=-8.3!) USER MOD Single : A 106 TYR OH : rot 30:sc= 0 USER MOD Single : A 107 THR OG1 : rot -100:sc= -0.906 USER MOD Single : A 111 ASN : amide:sc= 0.418 X(o=0.42,f=-0.0096) USER MOD Single : A 113 LYS NZ :NH3+ 148:sc= -2.05! (180deg=-4.05!) USER MOD ----------------------------------------------------------------- ATOM 179 N ASN A 10 0.125 -8.528 11.854 1.00 0.00 N ATOM 180 CA ASN A 10 0.268 -7.279 11.131 1.00 0.00 C ATOM 181 C ASN A 10 1.701 -6.764 11.157 1.00 0.00 C ATOM 182 O ASN A 10 2.521 -7.124 10.312 1.00 0.00 O ATOM 183 CB ASN A 10 -0.668 -6.224 11.720 1.00 0.00 C ATOM 184 CG ASN A 10 -0.799 -6.302 13.224 1.00 0.00 C ATOM 185 OD1 ASN A 10 -0.832 -7.382 13.812 1.00 0.00 O ATOM 186 ND2 ASN A 10 -0.868 -5.141 13.857 1.00 0.00 N ATOM 0 HA ASN A 10 0.003 -7.472 10.092 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.304 -5.234 11.446 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.655 -6.335 11.272 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.952 -5.118 14.873 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.837 -4.269 13.328 1.00 0.00 H new ATOM 193 N ASP A 11 1.982 -5.914 12.135 1.00 0.00 N ATOM 194 CA ASP A 11 3.292 -5.311 12.299 1.00 0.00 C ATOM 195 C ASP A 11 4.408 -6.334 12.139 1.00 0.00 C ATOM 196 O ASP A 11 4.683 -7.126 13.041 1.00 0.00 O ATOM 197 CB ASP A 11 3.387 -4.643 13.667 1.00 0.00 C ATOM 198 CG ASP A 11 2.202 -3.744 13.961 1.00 0.00 C ATOM 199 OD1 ASP A 11 2.095 -2.675 13.324 1.00 0.00 O ATOM 200 OD2 ASP A 11 1.384 -4.107 14.831 1.00 0.00 O ATOM 0 H ASP A 11 1.303 -5.624 12.839 1.00 0.00 H new ATOM 0 HA ASP A 11 3.416 -4.562 11.517 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.456 -5.411 14.438 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.304 -4.057 13.718 1.00 0.00 H new ATOM 205 N LYS A 12 5.036 -6.312 10.973 1.00 0.00 N ATOM 206 CA LYS A 12 6.133 -7.214 10.664 1.00 0.00 C ATOM 207 C LYS A 12 7.475 -6.507 10.867 1.00 0.00 C ATOM 208 O LYS A 12 7.999 -5.870 9.954 1.00 0.00 O ATOM 209 CB LYS A 12 5.995 -7.711 9.224 1.00 0.00 C ATOM 210 CG LYS A 12 7.189 -8.501 8.733 1.00 0.00 C ATOM 211 CD LYS A 12 7.328 -9.823 9.468 1.00 0.00 C ATOM 212 CE LYS A 12 8.350 -10.723 8.795 1.00 0.00 C ATOM 213 NZ LYS A 12 7.890 -11.184 7.457 1.00 0.00 N ATOM 0 H LYS A 12 4.800 -5.670 10.217 1.00 0.00 H new ATOM 0 HA LYS A 12 6.097 -8.070 11.338 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.103 -8.333 9.148 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.843 -6.855 8.567 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.087 -8.688 7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.096 -7.912 8.869 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.626 -9.638 10.500 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.362 -10.327 9.501 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.293 -10.186 8.689 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.545 -11.588 9.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.446 -12.013 7.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.884 -11.442 7.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.018 -10.420 6.763 1.00 0.00 H new ATOM 227 N TRP A 13 8.016 -6.619 12.076 1.00 0.00 N ATOM 228 CA TRP A 13 9.278 -5.986 12.431 1.00 0.00 C ATOM 229 C TRP A 13 10.470 -6.819 11.971 1.00 0.00 C ATOM 230 O TRP A 13 10.830 -7.805 12.615 1.00 0.00 O ATOM 231 CB TRP A 13 9.321 -5.775 13.945 1.00 0.00 C ATOM 232 CG TRP A 13 7.984 -5.393 14.522 1.00 0.00 C ATOM 233 CD1 TRP A 13 6.946 -6.235 14.803 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.536 -4.076 14.880 1.00 0.00 C ATOM 235 NE1 TRP A 13 5.878 -5.526 15.294 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.214 -4.199 15.354 1.00 0.00 C ATOM 237 CE3 TRP A 13 8.120 -2.808 14.843 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.466 -3.100 15.782 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.381 -1.720 15.273 1.00 0.00 C ATOM 240 CH2 TRP A 13 6.066 -1.872 15.734 1.00 0.00 C ATOM 0 H TRP A 13 7.591 -7.151 12.835 1.00 0.00 H new ATOM 0 HA TRP A 13 9.343 -5.024 11.923 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.670 -6.690 14.424 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.047 -4.996 14.178 1.00 0.00 H new ATOM 0 HD1 TRP A 13 6.963 -7.305 14.659 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.980 -5.923 15.570 1.00 0.00 H new ATOM 0 HE3 TRP A 13 9.131 -2.679 14.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.453 -3.215 16.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.825 -0.736 15.253 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.515 -1.001 16.058 1.00 0.00 H new ATOM 251 N VAL A 14 11.089 -6.416 10.854 1.00 0.00 N ATOM 252 CA VAL A 14 12.241 -7.152 10.321 1.00 0.00 C ATOM 253 C VAL A 14 13.177 -6.262 9.520 1.00 0.00 C ATOM 254 O VAL A 14 12.996 -5.050 9.441 1.00 0.00 O ATOM 255 CB VAL A 14 11.801 -8.319 9.418 1.00 0.00 C ATOM 256 CG1 VAL A 14 11.201 -9.446 10.245 1.00 0.00 C ATOM 257 CG2 VAL A 14 10.826 -7.831 8.358 1.00 0.00 C ATOM 0 H VAL A 14 10.817 -5.598 10.310 1.00 0.00 H new ATOM 0 HA VAL A 14 12.770 -7.535 11.194 1.00 0.00 H new ATOM 0 HB VAL A 14 12.680 -8.715 8.910 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.897 -10.259 9.586 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.943 -9.812 10.954 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.332 -9.076 10.788 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.525 -8.668 7.728 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.946 -7.405 8.841 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.307 -7.070 7.744 1.00 0.00 H new ATOM 267 N ASP A 15 14.185 -6.901 8.932 1.00 0.00 N ATOM 268 CA ASP A 15 15.183 -6.222 8.117 1.00 0.00 C ATOM 269 C ASP A 15 14.823 -6.334 6.636 1.00 0.00 C ATOM 270 O ASP A 15 13.758 -6.848 6.294 1.00 0.00 O ATOM 271 CB ASP A 15 16.552 -6.844 8.379 1.00 0.00 C ATOM 272 CG ASP A 15 17.301 -6.153 9.500 1.00 0.00 C ATOM 273 OD1 ASP A 15 17.006 -6.445 10.679 1.00 0.00 O ATOM 274 OD2 ASP A 15 18.185 -5.325 9.201 1.00 0.00 O ATOM 0 H ASP A 15 14.331 -7.908 9.009 1.00 0.00 H new ATOM 0 HA ASP A 15 15.210 -5.165 8.382 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.427 -7.898 8.627 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.148 -6.799 7.467 1.00 0.00 H new ATOM 279 N THR A 16 15.709 -5.859 5.759 1.00 0.00 N ATOM 280 CA THR A 16 15.448 -5.921 4.323 1.00 0.00 C ATOM 281 C THR A 16 16.632 -5.423 3.497 1.00 0.00 C ATOM 282 O THR A 16 17.692 -5.099 4.033 1.00 0.00 O ATOM 283 CB THR A 16 14.204 -5.090 3.950 1.00 0.00 C ATOM 284 OG1 THR A 16 13.648 -5.560 2.716 1.00 0.00 O ATOM 285 CG2 THR A 16 14.549 -3.614 3.821 1.00 0.00 C ATOM 0 H THR A 16 16.600 -5.433 6.014 1.00 0.00 H new ATOM 0 HA THR A 16 15.278 -6.972 4.091 1.00 0.00 H new ATOM 0 HB THR A 16 13.472 -5.207 4.749 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.960 -4.934 2.407 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.653 -3.053 3.557 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.941 -3.248 4.770 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.301 -3.483 3.043 1.00 0.00 H new ATOM 293 N HIS A 17 16.429 -5.368 2.182 1.00 0.00 N ATOM 294 CA HIS A 17 17.449 -4.900 1.252 1.00 0.00 C ATOM 295 C HIS A 17 16.989 -3.599 0.595 1.00 0.00 C ATOM 296 O HIS A 17 16.090 -2.935 1.102 1.00 0.00 O ATOM 297 CB HIS A 17 17.724 -5.966 0.191 1.00 0.00 C ATOM 298 CG HIS A 17 18.647 -7.049 0.658 1.00 0.00 C ATOM 299 ND1 HIS A 17 18.203 -8.216 1.245 1.00 0.00 N ATOM 300 CD2 HIS A 17 19.997 -7.139 0.620 1.00 0.00 C ATOM 301 CE1 HIS A 17 19.240 -8.976 1.549 1.00 0.00 C ATOM 302 NE2 HIS A 17 20.340 -8.345 1.180 1.00 0.00 N ATOM 0 H HIS A 17 15.555 -5.646 1.735 1.00 0.00 H new ATOM 0 HA HIS A 17 18.373 -4.712 1.799 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.779 -6.413 -0.117 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.153 -5.488 -0.690 1.00 0.00 H new ATOM 0 HD2 HIS A 17 20.677 -6.400 0.223 1.00 0.00 H new ATOM 0 HE1 HIS A 17 19.196 -9.947 2.019 1.00 0.00 H new ATOM 0 HE2 HIS A 17 21.291 -8.697 1.293 1.00 0.00 H new ATOM 311 N VAL A 18 17.600 -3.238 -0.530 1.00 0.00 N ATOM 312 CA VAL A 18 17.228 -2.008 -1.224 1.00 0.00 C ATOM 313 C VAL A 18 16.342 -2.287 -2.434 1.00 0.00 C ATOM 314 O VAL A 18 16.642 -3.153 -3.255 1.00 0.00 O ATOM 315 CB VAL A 18 18.464 -1.212 -1.680 1.00 0.00 C ATOM 316 CG1 VAL A 18 18.047 0.135 -2.254 1.00 0.00 C ATOM 317 CG2 VAL A 18 19.439 -1.031 -0.527 1.00 0.00 C ATOM 0 H VAL A 18 18.346 -3.772 -0.976 1.00 0.00 H new ATOM 0 HA VAL A 18 16.668 -1.412 -0.503 1.00 0.00 H new ATOM 0 HB VAL A 18 18.969 -1.776 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 18 18.933 0.685 -2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 18 17.391 -0.022 -3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.518 0.707 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.306 -0.466 -0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 18 18.949 -0.489 0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.762 -2.008 -0.167 1.00 0.00 H new ATOM 327 N GLY A 19 15.249 -1.536 -2.528 1.00 0.00 N ATOM 328 CA GLY A 19 14.317 -1.689 -3.630 1.00 0.00 C ATOM 329 C GLY A 19 13.756 -3.089 -3.751 1.00 0.00 C ATOM 330 O GLY A 19 13.183 -3.438 -4.782 1.00 0.00 O ATOM 0 H GLY A 19 14.991 -0.817 -1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.494 -0.986 -3.501 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.819 -1.425 -4.561 1.00 0.00 H new ATOM 334 N LYS A 20 13.931 -3.900 -2.712 1.00 0.00 N ATOM 335 CA LYS A 20 13.410 -5.257 -2.724 1.00 0.00 C ATOM 336 C LYS A 20 11.892 -5.219 -2.811 1.00 0.00 C ATOM 337 O LYS A 20 11.197 -5.280 -1.797 1.00 0.00 O ATOM 338 CB LYS A 20 13.854 -6.017 -1.476 1.00 0.00 C ATOM 339 CG LYS A 20 14.272 -7.446 -1.756 1.00 0.00 C ATOM 340 CD LYS A 20 15.674 -7.480 -2.315 1.00 0.00 C ATOM 341 CE LYS A 20 16.272 -8.876 -2.251 1.00 0.00 C ATOM 342 NZ LYS A 20 16.300 -9.407 -0.862 1.00 0.00 N ATOM 0 H LYS A 20 14.426 -3.641 -1.859 1.00 0.00 H new ATOM 0 HA LYS A 20 13.806 -5.779 -3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.687 -5.487 -1.015 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.038 -6.020 -0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.224 -8.033 -0.839 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.580 -7.903 -2.463 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.662 -7.137 -3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.305 -6.788 -1.757 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.693 -9.548 -2.884 1.00 0.00 H new ATOM 0 HE3 LYS A 20 17.285 -8.855 -2.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.864 -10.281 -0.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.726 -8.701 -0.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.330 -9.612 -0.549 1.00 0.00 H new ATOM 356 N THR A 21 11.391 -5.099 -4.036 1.00 0.00 N ATOM 357 CA THR A 21 9.958 -5.024 -4.285 1.00 0.00 C ATOM 358 C THR A 21 9.194 -6.085 -3.504 1.00 0.00 C ATOM 359 O THR A 21 9.118 -7.242 -3.915 1.00 0.00 O ATOM 360 CB THR A 21 9.640 -5.177 -5.782 1.00 0.00 C ATOM 361 OG1 THR A 21 10.538 -4.376 -6.559 1.00 0.00 O ATOM 362 CG2 THR A 21 8.207 -4.761 -6.071 1.00 0.00 C ATOM 0 H THR A 21 11.964 -5.051 -4.879 1.00 0.00 H new ATOM 0 HA THR A 21 9.638 -4.038 -3.948 1.00 0.00 H new ATOM 0 HB THR A 21 9.763 -6.226 -6.053 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.330 -4.481 -7.511 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.002 -4.877 -7.135 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.524 -5.389 -5.500 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.066 -3.718 -5.786 1.00 0.00 H new ATOM 370 N THR A 22 8.634 -5.677 -2.371 1.00 0.00 N ATOM 371 CA THR A 22 7.866 -6.582 -1.530 1.00 0.00 C ATOM 372 C THR A 22 6.389 -6.512 -1.886 1.00 0.00 C ATOM 373 O THR A 22 5.674 -5.603 -1.461 1.00 0.00 O ATOM 374 CB THR A 22 8.055 -6.262 -0.033 1.00 0.00 C ATOM 375 OG1 THR A 22 9.426 -6.453 0.337 1.00 0.00 O ATOM 376 CG2 THR A 22 7.165 -7.138 0.837 1.00 0.00 C ATOM 0 H THR A 22 8.699 -4.723 -2.015 1.00 0.00 H new ATOM 0 HA THR A 22 8.236 -7.591 -1.712 1.00 0.00 H new ATOM 0 HB THR A 22 7.772 -5.222 0.127 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.007 -6.033 -0.331 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.322 -6.888 1.886 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.120 -6.968 0.576 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.414 -8.186 0.673 1.00 0.00 H new ATOM 384 N GLU A 23 5.954 -7.472 -2.691 1.00 0.00 N ATOM 385 CA GLU A 23 4.578 -7.553 -3.129 1.00 0.00 C ATOM 386 C GLU A 23 3.701 -8.177 -2.058 1.00 0.00 C ATOM 387 O GLU A 23 4.052 -9.199 -1.467 1.00 0.00 O ATOM 388 CB GLU A 23 4.508 -8.379 -4.405 1.00 0.00 C ATOM 389 CG GLU A 23 3.115 -8.460 -4.991 1.00 0.00 C ATOM 390 CD GLU A 23 3.106 -9.034 -6.394 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.276 -10.265 -6.532 1.00 0.00 O ATOM 392 OE2 GLU A 23 2.930 -8.256 -7.354 1.00 0.00 O ATOM 0 H GLU A 23 6.550 -8.215 -3.056 1.00 0.00 H new ATOM 0 HA GLU A 23 4.210 -6.545 -3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.182 -7.948 -5.146 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.866 -9.387 -4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.489 -9.076 -4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.673 -7.464 -5.007 1.00 0.00 H new ATOM 399 N ILE A 24 2.557 -7.555 -1.813 1.00 0.00 N ATOM 400 CA ILE A 24 1.629 -8.047 -0.811 1.00 0.00 C ATOM 401 C ILE A 24 0.194 -8.019 -1.311 1.00 0.00 C ATOM 402 O ILE A 24 -0.410 -6.953 -1.431 1.00 0.00 O ATOM 403 CB ILE A 24 1.711 -7.210 0.471 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.163 -7.089 0.936 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.840 -7.827 1.557 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.335 -6.246 2.180 1.00 0.00 C ATOM 0 H ILE A 24 2.251 -6.710 -2.295 1.00 0.00 H new ATOM 0 HA ILE A 24 1.916 -9.078 -0.602 1.00 0.00 H new ATOM 0 HB ILE A 24 1.338 -6.207 0.263 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.559 -8.087 1.126 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.758 -6.658 0.131 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.906 -7.224 2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.195 -7.860 1.218 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.185 -8.839 1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.390 -6.206 2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.971 -5.237 1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.768 -6.687 3.000 1.00 0.00 H new ATOM 418 N HIS A 25 -0.340 -9.194 -1.612 1.00 0.00 N ATOM 419 CA HIS A 25 -1.716 -9.312 -2.065 1.00 0.00 C ATOM 420 C HIS A 25 -2.639 -9.474 -0.865 1.00 0.00 C ATOM 421 O HIS A 25 -2.886 -10.590 -0.405 1.00 0.00 O ATOM 422 CB HIS A 25 -1.879 -10.508 -2.997 1.00 0.00 C ATOM 423 CG HIS A 25 -0.776 -10.658 -3.995 1.00 0.00 C ATOM 424 ND1 HIS A 25 -0.009 -11.798 -4.103 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.321 -9.810 -4.946 1.00 0.00 C ATOM 426 CE1 HIS A 25 0.869 -11.645 -5.077 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.700 -10.446 -5.607 1.00 0.00 N ATOM 0 H HIS A 25 0.161 -10.080 -1.550 1.00 0.00 H new ATOM 0 HA HIS A 25 -1.977 -8.406 -2.612 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.939 -11.417 -2.398 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.826 -10.414 -3.529 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.105 -12.630 -3.521 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.693 -8.816 -5.148 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.601 -12.376 -5.388 1.00 0.00 H new ATOM 436 N LEU A 26 -3.136 -8.358 -0.356 1.00 0.00 N ATOM 437 CA LEU A 26 -4.024 -8.378 0.797 1.00 0.00 C ATOM 438 C LEU A 26 -5.465 -8.533 0.348 1.00 0.00 C ATOM 439 O LEU A 26 -5.860 -8.001 -0.684 1.00 0.00 O ATOM 440 CB LEU A 26 -3.881 -7.092 1.608 1.00 0.00 C ATOM 441 CG LEU A 26 -2.463 -6.763 2.080 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.347 -5.285 2.418 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.089 -7.613 3.287 1.00 0.00 C ATOM 0 H LEU A 26 -2.940 -7.427 -0.723 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.747 -9.226 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.246 -6.261 1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.529 -7.161 2.482 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.770 -6.991 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.333 -5.067 2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.573 -4.690 1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.052 -5.037 3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.077 -7.364 3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.786 -7.416 4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.135 -8.668 3.017 1.00 0.00 H new ATOM 455 N LYS A 27 -6.249 -9.251 1.129 1.00 0.00 N ATOM 456 CA LYS A 27 -7.649 -9.463 0.796 1.00 0.00 C ATOM 457 C LYS A 27 -8.538 -8.552 1.626 1.00 0.00 C ATOM 458 O LYS A 27 -8.099 -7.975 2.622 1.00 0.00 O ATOM 459 CB LYS A 27 -8.039 -10.922 1.014 1.00 0.00 C ATOM 460 CG LYS A 27 -7.140 -11.901 0.275 1.00 0.00 C ATOM 461 CD LYS A 27 -7.292 -13.315 0.814 1.00 0.00 C ATOM 462 CE LYS A 27 -6.367 -14.286 0.101 1.00 0.00 C ATOM 463 NZ LYS A 27 -4.935 -13.913 0.266 1.00 0.00 N ATOM 0 H LYS A 27 -5.945 -9.696 1.995 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.789 -9.221 -0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.007 -11.144 2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.069 -11.068 0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.382 -11.888 -0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.101 -11.585 0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.076 -13.323 1.882 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.325 -13.641 0.695 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.527 -15.292 0.490 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.615 -14.311 -0.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.333 -14.716 -0.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.717 -13.096 -0.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.753 -13.666 1.260 1.00 0.00 H new ATOM 477 N GLY A 28 -9.790 -8.436 1.216 1.00 0.00 N ATOM 478 CA GLY A 28 -10.721 -7.579 1.919 1.00 0.00 C ATOM 479 C GLY A 28 -12.056 -7.466 1.209 1.00 0.00 C ATOM 480 O GLY A 28 -12.619 -8.469 0.770 1.00 0.00 O ATOM 0 H GLY A 28 -10.180 -8.921 0.407 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.880 -7.968 2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.285 -6.586 2.027 1.00 0.00 H new ATOM 484 N ASN A 29 -12.559 -6.239 1.093 1.00 0.00 N ATOM 485 CA ASN A 29 -13.837 -5.991 0.432 1.00 0.00 C ATOM 486 C ASN A 29 -14.118 -4.489 0.349 1.00 0.00 C ATOM 487 O ASN A 29 -14.710 -3.913 1.261 1.00 0.00 O ATOM 488 CB ASN A 29 -14.965 -6.696 1.190 1.00 0.00 C ATOM 489 CG ASN A 29 -16.209 -6.878 0.347 1.00 0.00 C ATOM 490 OD1 ASN A 29 -16.128 -7.043 -0.871 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.370 -6.852 0.990 1.00 0.00 N ATOM 0 H ASN A 29 -12.100 -5.400 1.449 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.786 -6.389 -0.581 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.615 -7.671 1.530 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.215 -6.119 2.080 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.242 -6.971 0.474 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.390 -6.713 2.000 1.00 0.00 H new ATOM 547 N TYR A 34 -14.008 0.442 4.552 1.00 0.00 N ATOM 548 CA TYR A 34 -12.597 0.658 4.856 1.00 0.00 C ATOM 549 C TYR A 34 -11.717 0.343 3.649 1.00 0.00 C ATOM 550 O TYR A 34 -12.206 -0.078 2.600 1.00 0.00 O ATOM 551 CB TYR A 34 -12.168 -0.197 6.050 1.00 0.00 C ATOM 552 CG TYR A 34 -12.880 0.148 7.340 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.168 -0.312 7.586 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.265 0.929 8.314 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.824 -0.004 8.763 1.00 0.00 C ATOM 556 CE2 TYR A 34 -12.916 1.240 9.493 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.194 0.771 9.712 1.00 0.00 C ATOM 558 OH TYR A 34 -14.844 1.080 10.885 1.00 0.00 O ATOM 0 HA TYR A 34 -12.470 1.711 5.108 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.349 -1.246 5.816 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.094 -0.084 6.198 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.665 -0.921 6.845 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.264 1.298 8.146 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.825 -0.369 8.938 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.426 1.848 10.239 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.261 1.633 11.446 1.00 0.00 H new ATOM 568 N MET A 35 -10.415 0.554 3.812 1.00 0.00 N ATOM 569 CA MET A 35 -9.448 0.314 2.766 1.00 0.00 C ATOM 570 C MET A 35 -8.132 -0.151 3.359 1.00 0.00 C ATOM 571 O MET A 35 -7.764 0.249 4.460 1.00 0.00 O ATOM 572 CB MET A 35 -9.198 1.601 1.988 1.00 0.00 C ATOM 573 CG MET A 35 -7.824 1.662 1.354 1.00 0.00 C ATOM 574 SD MET A 35 -7.498 3.237 0.535 1.00 0.00 S ATOM 575 CE MET A 35 -8.736 3.218 -0.760 1.00 0.00 C ATOM 0 H MET A 35 -10.007 0.898 4.681 1.00 0.00 H new ATOM 0 HA MET A 35 -9.845 -0.456 2.104 1.00 0.00 H new ATOM 0 HB2 MET A 35 -9.954 1.699 1.209 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.319 2.452 2.659 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.068 1.494 2.121 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.728 0.854 0.629 1.00 0.00 H new ATOM 0 HE1 MET A 35 -8.249 3.090 -1.727 1.00 0.00 H new ATOM 0 HE2 MET A 35 -9.428 2.393 -0.590 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.285 4.159 -0.752 1.00 0.00 H new ATOM 585 N TRP A 36 -7.421 -0.972 2.614 1.00 0.00 N ATOM 586 CA TRP A 36 -6.130 -1.461 3.056 1.00 0.00 C ATOM 587 C TRP A 36 -5.023 -0.718 2.328 1.00 0.00 C ATOM 588 O TRP A 36 -4.455 -1.217 1.356 1.00 0.00 O ATOM 589 CB TRP A 36 -6.004 -2.957 2.810 1.00 0.00 C ATOM 590 CG TRP A 36 -6.173 -3.781 4.047 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.104 -4.755 4.267 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.391 -3.695 5.237 1.00 0.00 C ATOM 593 NE1 TRP A 36 -6.946 -5.279 5.527 1.00 0.00 N ATOM 594 CE2 TRP A 36 -5.900 -4.645 6.141 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.307 -2.907 5.626 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.361 -4.825 7.410 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.773 -3.087 6.884 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.301 -4.040 7.762 1.00 0.00 C ATOM 0 H TRP A 36 -7.715 -1.315 1.699 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.040 -1.283 4.128 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.750 -3.261 2.076 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.026 -3.165 2.375 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.854 -5.067 3.555 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.515 -6.019 5.938 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.894 -2.170 4.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.766 -5.558 8.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.934 -2.483 7.197 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.860 -4.157 8.741 1.00 0.00 H new ATOM 609 N THR A 37 -4.729 0.486 2.801 1.00 0.00 N ATOM 610 CA THR A 37 -3.702 1.315 2.188 1.00 0.00 C ATOM 611 C THR A 37 -2.658 1.724 3.228 1.00 0.00 C ATOM 612 O THR A 37 -2.601 1.140 4.308 1.00 0.00 O ATOM 613 CB THR A 37 -4.325 2.568 1.544 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.360 3.232 0.725 1.00 0.00 O ATOM 615 CG2 THR A 37 -4.833 3.523 2.612 1.00 0.00 C ATOM 0 H THR A 37 -5.188 0.910 3.607 1.00 0.00 H new ATOM 0 HA THR A 37 -3.214 0.731 1.408 1.00 0.00 H new ATOM 0 HB THR A 37 -5.166 2.253 0.926 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.510 2.996 -0.214 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.269 4.402 2.137 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.590 3.024 3.216 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.004 3.830 3.250 1.00 0.00 H new ATOM 623 N ARG A 38 -1.833 2.724 2.913 1.00 0.00 N ATOM 624 CA ARG A 38 -0.805 3.177 3.849 1.00 0.00 C ATOM 625 C ARG A 38 -1.360 4.234 4.805 1.00 0.00 C ATOM 626 O ARG A 38 -2.075 5.148 4.393 1.00 0.00 O ATOM 627 CB ARG A 38 0.418 3.718 3.095 1.00 0.00 C ATOM 628 CG ARG A 38 1.566 2.736 3.005 1.00 0.00 C ATOM 629 CD ARG A 38 2.617 3.191 2.004 1.00 0.00 C ATOM 630 NE ARG A 38 2.960 4.604 2.135 1.00 0.00 N ATOM 631 CZ ARG A 38 4.169 5.031 2.494 1.00 0.00 C ATOM 632 NH1 ARG A 38 5.113 4.159 2.820 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.437 6.328 2.533 1.00 0.00 N ATOM 0 H ARG A 38 -1.856 3.230 2.028 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.490 2.318 4.442 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.115 4.001 2.087 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.766 4.625 3.590 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.024 2.621 3.987 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.186 1.757 2.714 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.518 2.591 2.134 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.253 3.004 0.994 1.00 0.00 H new ATOM 0 HE ARG A 38 2.238 5.298 1.942 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.914 3.159 2.796 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.039 4.488 3.095 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.715 7.006 2.287 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.365 6.649 2.809 1.00 0.00 H new ATOM 647 N VAL A 39 -1.026 4.092 6.089 1.00 0.00 N ATOM 648 CA VAL A 39 -1.486 5.014 7.126 1.00 0.00 C ATOM 649 C VAL A 39 -1.232 6.470 6.741 1.00 0.00 C ATOM 650 O VAL A 39 -0.305 6.773 5.990 1.00 0.00 O ATOM 651 CB VAL A 39 -0.791 4.727 8.475 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.366 5.605 9.576 1.00 0.00 C ATOM 653 CG2 VAL A 39 -0.911 3.255 8.845 1.00 0.00 C ATOM 0 H VAL A 39 -0.432 3.339 6.437 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.560 4.856 7.227 1.00 0.00 H new ATOM 0 HB VAL A 39 0.267 4.965 8.366 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.862 5.386 10.517 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.217 6.654 9.320 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.432 5.405 9.681 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.414 3.078 9.799 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.964 2.986 8.929 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.441 2.646 8.072 1.00 0.00 H new ATOM 663 N GLY A 40 -2.066 7.366 7.266 1.00 0.00 N ATOM 664 CA GLY A 40 -1.923 8.782 6.975 1.00 0.00 C ATOM 665 C GLY A 40 -2.244 9.110 5.531 1.00 0.00 C ATOM 666 O GLY A 40 -2.159 10.265 5.116 1.00 0.00 O ATOM 0 H GLY A 40 -2.840 7.135 7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.582 9.353 7.630 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.903 9.095 7.198 1.00 0.00 H new ATOM 670 N PHE A 41 -2.621 8.089 4.769 1.00 0.00 N ATOM 671 CA PHE A 41 -2.953 8.262 3.362 1.00 0.00 C ATOM 672 C PHE A 41 -4.323 7.678 3.062 1.00 0.00 C ATOM 673 O PHE A 41 -4.527 7.003 2.053 1.00 0.00 O ATOM 674 CB PHE A 41 -1.878 7.608 2.500 1.00 0.00 C ATOM 675 CG PHE A 41 -0.515 8.175 2.769 1.00 0.00 C ATOM 676 CD1 PHE A 41 -0.330 9.545 2.831 1.00 0.00 C ATOM 677 CD2 PHE A 41 0.573 7.345 2.968 1.00 0.00 C ATOM 678 CE1 PHE A 41 0.917 10.081 3.086 1.00 0.00 C ATOM 679 CE2 PHE A 41 1.823 7.874 3.224 1.00 0.00 C ATOM 680 CZ PHE A 41 1.997 9.243 3.283 1.00 0.00 C ATOM 0 H PHE A 41 -2.704 7.130 5.105 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.988 9.326 3.129 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.867 6.534 2.688 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.126 7.745 1.447 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.172 10.204 2.678 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.444 6.274 2.923 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.047 11.152 3.131 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.666 7.216 3.378 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.974 9.657 3.483 1.00 0.00 H new ATOM 690 N VAL A 42 -5.258 7.961 3.956 1.00 0.00 N ATOM 691 CA VAL A 42 -6.625 7.480 3.829 1.00 0.00 C ATOM 692 C VAL A 42 -7.428 8.335 2.850 1.00 0.00 C ATOM 693 O VAL A 42 -7.925 9.405 3.203 1.00 0.00 O ATOM 694 CB VAL A 42 -7.321 7.462 5.207 1.00 0.00 C ATOM 695 CG1 VAL A 42 -7.106 8.776 5.942 1.00 0.00 C ATOM 696 CG2 VAL A 42 -8.804 7.154 5.069 1.00 0.00 C ATOM 0 H VAL A 42 -5.092 8.528 4.787 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.583 6.464 3.437 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.868 6.666 5.798 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.606 8.738 6.910 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.039 8.939 6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.519 9.595 5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.268 7.148 6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.278 7.916 4.450 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.931 6.177 4.603 1.00 0.00 H new ATOM 706 N GLY A 43 -7.541 7.858 1.613 1.00 0.00 N ATOM 707 CA GLY A 43 -8.290 8.584 0.602 1.00 0.00 C ATOM 708 C GLY A 43 -7.413 9.131 -0.509 1.00 0.00 C ATOM 709 O GLY A 43 -7.903 9.449 -1.593 1.00 0.00 O ATOM 0 H GLY A 43 -7.127 6.982 1.293 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.042 7.923 0.171 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.823 9.408 1.075 1.00 0.00 H new ATOM 763 N LEU A 47 0.830 6.586 -1.959 1.00 0.00 N ATOM 764 CA LEU A 47 1.203 6.420 -0.565 1.00 0.00 C ATOM 765 C LEU A 47 2.685 6.717 -0.379 1.00 0.00 C ATOM 766 O LEU A 47 3.072 7.524 0.465 1.00 0.00 O ATOM 767 CB LEU A 47 0.887 4.997 -0.119 1.00 0.00 C ATOM 768 CG LEU A 47 -0.352 4.376 -0.768 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.522 2.929 -0.329 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.596 5.187 -0.436 1.00 0.00 C ATOM 0 HA LEU A 47 0.632 7.120 0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.748 4.365 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.753 4.993 0.963 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.213 4.390 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.409 2.507 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.355 2.354 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.635 2.888 0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.466 4.729 -0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.738 5.209 0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.477 6.205 -0.807 1.00 0.00 H new ATOM 782 N SER A 48 3.502 6.046 -1.182 1.00 0.00 N ATOM 783 CA SER A 48 4.949 6.218 -1.152 1.00 0.00 C ATOM 784 C SER A 48 5.346 7.693 -1.218 1.00 0.00 C ATOM 785 O SER A 48 4.500 8.566 -1.417 1.00 0.00 O ATOM 786 CB SER A 48 5.568 5.472 -2.328 1.00 0.00 C ATOM 787 OG SER A 48 5.303 6.135 -3.552 1.00 0.00 O ATOM 0 H SER A 48 3.180 5.367 -1.872 1.00 0.00 H new ATOM 0 HA SER A 48 5.318 5.815 -0.209 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.645 5.388 -2.183 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.172 4.457 -2.368 1.00 0.00 H new ATOM 0 HG SER A 48 5.713 5.636 -4.290 1.00 0.00 H new ATOM 793 N ASP A 49 6.642 7.960 -1.068 1.00 0.00 N ATOM 794 CA ASP A 49 7.150 9.328 -1.108 1.00 0.00 C ATOM 795 C ASP A 49 8.620 9.364 -1.509 1.00 0.00 C ATOM 796 O ASP A 49 8.951 9.495 -2.687 1.00 0.00 O ATOM 797 CB ASP A 49 6.974 10.009 0.252 1.00 0.00 C ATOM 798 CG ASP A 49 5.528 10.362 0.545 1.00 0.00 C ATOM 799 OD1 ASP A 49 5.092 11.461 0.139 1.00 0.00 O ATOM 800 OD2 ASP A 49 4.833 9.542 1.179 1.00 0.00 O ATOM 0 H ASP A 49 7.357 7.248 -0.918 1.00 0.00 H new ATOM 0 HA ASP A 49 6.573 9.867 -1.859 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.349 9.350 1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.579 10.916 0.281 1.00 0.00 H new ATOM 805 N GLU A 50 9.498 9.246 -0.517 1.00 0.00 N ATOM 806 CA GLU A 50 10.933 9.280 -0.753 1.00 0.00 C ATOM 807 C GLU A 50 11.636 8.119 -0.056 1.00 0.00 C ATOM 808 O GLU A 50 12.657 7.622 -0.532 1.00 0.00 O ATOM 809 CB GLU A 50 11.488 10.607 -0.244 1.00 0.00 C ATOM 810 CG GLU A 50 11.358 10.780 1.260 1.00 0.00 C ATOM 811 CD GLU A 50 11.841 12.137 1.735 1.00 0.00 C ATOM 812 OE1 GLU A 50 11.031 13.088 1.733 1.00 0.00 O ATOM 813 OE2 GLU A 50 13.027 12.248 2.111 1.00 0.00 O ATOM 0 H GLU A 50 9.236 9.126 0.461 1.00 0.00 H new ATOM 0 HA GLU A 50 11.115 9.184 -1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.539 10.682 -0.521 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.968 11.425 -0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.315 10.648 1.548 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.929 9.999 1.763 1.00 0.00 H new ATOM 820 N ILE A 51 11.082 7.695 1.074 1.00 0.00 N ATOM 821 CA ILE A 51 11.653 6.599 1.847 1.00 0.00 C ATOM 822 C ILE A 51 11.412 5.258 1.171 1.00 0.00 C ATOM 823 O ILE A 51 12.330 4.654 0.620 1.00 0.00 O ATOM 824 CB ILE A 51 11.052 6.555 3.261 1.00 0.00 C ATOM 825 CG1 ILE A 51 11.066 7.952 3.881 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.812 5.567 4.134 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.456 8.478 4.176 1.00 0.00 C ATOM 0 H ILE A 51 10.235 8.096 1.476 1.00 0.00 H new ATOM 0 HA ILE A 51 12.726 6.780 1.909 1.00 0.00 H new ATOM 0 HB ILE A 51 10.018 6.218 3.193 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.562 8.644 3.206 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.491 7.934 4.807 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.372 5.549 5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.752 4.572 3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.856 5.871 4.203 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.383 9.473 4.614 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.957 7.809 4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.029 8.530 3.250 1.00 0.00 H new ATOM 839 N LEU A 52 10.171 4.790 1.234 1.00 0.00 N ATOM 840 CA LEU A 52 9.805 3.516 0.621 1.00 0.00 C ATOM 841 C LEU A 52 9.005 3.724 -0.659 1.00 0.00 C ATOM 842 O LEU A 52 7.928 4.317 -0.628 1.00 0.00 O ATOM 843 CB LEU A 52 8.965 2.670 1.586 1.00 0.00 C ATOM 844 CG LEU A 52 9.717 2.047 2.763 1.00 0.00 C ATOM 845 CD1 LEU A 52 8.761 1.252 3.636 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.844 1.155 2.272 1.00 0.00 C ATOM 0 H LEU A 52 9.402 5.271 1.701 1.00 0.00 H new ATOM 0 HA LEU A 52 10.735 2.999 0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.164 3.295 1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.493 1.869 1.018 1.00 0.00 H new ATOM 0 HG LEU A 52 10.151 2.852 3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.309 0.814 4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.984 1.913 4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.304 0.458 3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.365 0.723 3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.433 0.356 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 52 11.544 1.745 1.681 1.00 0.00 H new ATOM 858 N GLU A 53 9.543 3.258 -1.786 1.00 0.00 N ATOM 859 CA GLU A 53 8.836 3.351 -3.056 1.00 0.00 C ATOM 860 C GLU A 53 7.653 2.393 -3.042 1.00 0.00 C ATOM 861 O GLU A 53 7.647 1.379 -3.740 1.00 0.00 O ATOM 862 CB GLU A 53 9.769 3.012 -4.217 1.00 0.00 C ATOM 863 CG GLU A 53 10.210 4.222 -5.010 1.00 0.00 C ATOM 864 CD GLU A 53 9.420 4.402 -6.292 1.00 0.00 C ATOM 865 OE1 GLU A 53 8.377 5.088 -6.256 1.00 0.00 O ATOM 866 OE2 GLU A 53 9.846 3.858 -7.333 1.00 0.00 O ATOM 0 H GLU A 53 10.460 2.816 -1.842 1.00 0.00 H new ATOM 0 HA GLU A 53 8.480 4.372 -3.191 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.650 2.502 -3.828 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.266 2.313 -4.885 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.102 5.114 -4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.269 4.127 -5.251 1.00 0.00 H new ATOM 873 N VAL A 54 6.657 2.720 -2.229 1.00 0.00 N ATOM 874 CA VAL A 54 5.478 1.886 -2.090 1.00 0.00 C ATOM 875 C VAL A 54 4.536 2.024 -3.272 1.00 0.00 C ATOM 876 O VAL A 54 3.605 2.831 -3.248 1.00 0.00 O ATOM 877 CB VAL A 54 4.701 2.212 -0.806 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.647 1.147 -0.549 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.645 2.347 0.377 1.00 0.00 C ATOM 0 H VAL A 54 6.646 3.563 -1.654 1.00 0.00 H new ATOM 0 HA VAL A 54 5.845 0.861 -2.045 1.00 0.00 H new ATOM 0 HB VAL A 54 4.197 3.170 -0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.102 1.387 0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.952 1.113 -1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.130 0.176 -0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.072 2.578 1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.184 1.411 0.521 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.357 3.149 0.185 1.00 0.00 H new ATOM 889 N VAL A 55 4.785 1.241 -4.309 1.00 0.00 N ATOM 890 CA VAL A 55 3.932 1.251 -5.479 1.00 0.00 C ATOM 891 C VAL A 55 2.732 0.358 -5.223 1.00 0.00 C ATOM 892 O VAL A 55 2.742 -0.833 -5.536 1.00 0.00 O ATOM 893 CB VAL A 55 4.667 0.762 -6.733 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.794 0.960 -7.961 1.00 0.00 C ATOM 895 CG2 VAL A 55 6.001 1.479 -6.886 1.00 0.00 C ATOM 0 H VAL A 55 5.570 0.592 -4.362 1.00 0.00 H new ATOM 0 HA VAL A 55 3.620 2.280 -5.658 1.00 0.00 H new ATOM 0 HB VAL A 55 4.872 -0.303 -6.628 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.326 0.609 -8.846 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.870 0.394 -7.845 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.560 2.019 -8.074 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.507 1.118 -7.781 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.829 2.552 -6.973 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.623 1.281 -6.013 1.00 0.00 H new ATOM 905 N CYS A 56 1.708 0.945 -4.635 1.00 0.00 N ATOM 906 CA CYS A 56 0.499 0.215 -4.291 1.00 0.00 C ATOM 907 C CYS A 56 -0.618 0.475 -5.288 1.00 0.00 C ATOM 908 O CYS A 56 -0.920 1.623 -5.618 1.00 0.00 O ATOM 909 CB CYS A 56 0.034 0.595 -2.885 1.00 0.00 C ATOM 910 SG CYS A 56 -1.536 -0.157 -2.397 1.00 0.00 S ATOM 0 H CYS A 56 1.688 1.933 -4.383 1.00 0.00 H new ATOM 0 HA CYS A 56 0.738 -0.848 -4.322 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.802 0.303 -2.169 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.061 1.679 -2.826 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.843 0.223 -1.192 1.00 0.00 H new ATOM 916 N LYS A 57 -1.224 -0.603 -5.762 1.00 0.00 N ATOM 917 CA LYS A 57 -2.320 -0.511 -6.706 1.00 0.00 C ATOM 918 C LYS A 57 -3.557 -1.178 -6.130 1.00 0.00 C ATOM 919 O LYS A 57 -3.607 -2.401 -5.974 1.00 0.00 O ATOM 920 CB LYS A 57 -1.949 -1.168 -8.032 1.00 0.00 C ATOM 921 CG LYS A 57 -0.541 -0.845 -8.502 1.00 0.00 C ATOM 922 CD LYS A 57 -0.230 -1.510 -9.832 1.00 0.00 C ATOM 923 CE LYS A 57 1.179 -1.189 -10.302 1.00 0.00 C ATOM 924 NZ LYS A 57 1.494 -1.839 -11.603 1.00 0.00 N ATOM 0 H LYS A 57 -0.971 -1.557 -5.504 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.529 0.543 -6.888 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.050 -2.249 -7.932 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.659 -0.850 -8.796 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.428 0.235 -8.599 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.178 -1.175 -7.752 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.345 -2.590 -9.735 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.949 -1.179 -10.582 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.292 -0.109 -10.400 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.896 -1.518 -9.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.464 -1.594 -11.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.412 -2.871 -11.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.826 -1.506 -12.328 1.00 0.00 H new ATOM 938 N TYR A 58 -4.545 -0.365 -5.799 1.00 0.00 N ATOM 939 CA TYR A 58 -5.790 -0.866 -5.240 1.00 0.00 C ATOM 940 C TYR A 58 -6.692 -1.363 -6.366 1.00 0.00 C ATOM 941 O TYR A 58 -7.203 -0.573 -7.161 1.00 0.00 O ATOM 942 CB TYR A 58 -6.484 0.236 -4.426 1.00 0.00 C ATOM 943 CG TYR A 58 -7.598 -0.257 -3.529 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.559 -1.147 -4.001 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.693 0.175 -2.209 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.582 -1.591 -3.193 1.00 0.00 C ATOM 947 CE2 TYR A 58 -8.718 -0.268 -1.395 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.660 -1.146 -1.892 1.00 0.00 C ATOM 949 OH TYR A 58 -10.676 -1.587 -1.077 1.00 0.00 O ATOM 0 H TYR A 58 -4.509 0.649 -5.908 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.579 -1.699 -4.570 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.738 0.743 -3.814 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.889 0.978 -5.114 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.501 -1.496 -5.021 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.958 0.863 -1.817 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.317 -2.283 -3.577 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.782 0.072 -0.372 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.585 -1.178 -0.191 1.00 0.00 H new ATOM 959 N THR A 59 -6.882 -2.678 -6.427 1.00 0.00 N ATOM 960 CA THR A 59 -7.707 -3.286 -7.467 1.00 0.00 C ATOM 961 C THR A 59 -8.950 -3.950 -6.883 1.00 0.00 C ATOM 962 O THR A 59 -8.849 -4.964 -6.199 1.00 0.00 O ATOM 963 CB THR A 59 -6.914 -4.349 -8.245 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.578 -3.890 -8.482 1.00 0.00 O ATOM 965 CG2 THR A 59 -7.588 -4.660 -9.573 1.00 0.00 C ATOM 0 H THR A 59 -6.476 -3.343 -5.769 1.00 0.00 H new ATOM 0 HA THR A 59 -8.009 -2.480 -8.136 1.00 0.00 H new ATOM 0 HB THR A 59 -6.885 -5.259 -7.645 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.080 -4.574 -8.976 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.010 -5.414 -10.107 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.595 -5.036 -9.391 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.643 -3.753 -10.174 1.00 0.00 H new ATOM 973 N PRO A 60 -10.140 -3.384 -7.141 1.00 0.00 N ATOM 974 CA PRO A 60 -11.399 -3.922 -6.662 1.00 0.00 C ATOM 975 C PRO A 60 -12.140 -4.701 -7.741 1.00 0.00 C ATOM 976 O PRO A 60 -13.321 -5.014 -7.599 1.00 0.00 O ATOM 977 CB PRO A 60 -12.150 -2.642 -6.335 1.00 0.00 C ATOM 978 CG PRO A 60 -11.741 -1.701 -7.425 1.00 0.00 C ATOM 979 CD PRO A 60 -10.373 -2.142 -7.894 1.00 0.00 C ATOM 0 HA PRO A 60 -11.286 -4.625 -5.837 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.228 -2.801 -6.328 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.878 -2.258 -5.352 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.458 -1.726 -8.246 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.712 -0.675 -7.059 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.353 -2.315 -8.970 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.613 -1.392 -7.677 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.354 -6.871 -4.366 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.369 -6.907 -3.301 1.00 0.00 C ATOM 1137 C ILE A 73 -6.549 -5.627 -3.258 1.00 0.00 C ATOM 1138 O ILE A 73 -6.878 -4.638 -3.914 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.400 -8.096 -3.439 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -5.773 -8.142 -4.829 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.086 -9.410 -3.114 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.458 -8.890 -4.847 1.00 0.00 C ATOM 0 HA ILE A 73 -7.938 -7.017 -2.378 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.600 -7.948 -2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.467 -8.618 -5.522 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.613 -7.125 -5.186 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.374 -10.228 -3.221 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.457 -9.383 -2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.921 -9.563 -3.798 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.055 -8.893 -5.860 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.752 -8.400 -4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.619 -9.917 -4.518 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.477 -5.661 -2.477 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.590 -4.522 -2.329 1.00 0.00 C ATOM 1156 C TYR A 74 -3.151 -4.936 -2.626 1.00 0.00 C ATOM 1157 O TYR A 74 -2.496 -5.561 -1.793 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.702 -3.970 -0.906 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.095 -4.088 -0.319 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.520 -5.265 0.289 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -6.985 -3.024 -0.366 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -7.785 -5.376 0.828 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.254 -3.132 0.177 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.648 -4.308 0.770 1.00 0.00 C ATOM 1165 OH TYR A 74 -9.910 -4.415 1.308 1.00 0.00 O ATOM 0 H TYR A 74 -5.201 -6.478 -1.931 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.879 -3.745 -3.037 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.999 -4.500 -0.263 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.405 -2.921 -0.907 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.847 -6.108 0.340 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.683 -2.098 -0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.096 -6.299 1.294 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.933 -2.294 0.135 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.391 -3.570 1.184 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.666 -4.592 -3.818 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.309 -4.944 -4.224 1.00 0.00 C ATOM 1177 C VAL A 75 -0.319 -3.868 -3.806 1.00 0.00 C ATOM 1178 O VAL A 75 -0.267 -2.794 -4.400 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.212 -5.155 -5.748 1.00 0.00 C ATOM 1180 CG1 VAL A 75 0.232 -5.394 -6.169 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -2.095 -6.314 -6.183 1.00 0.00 C ATOM 0 H VAL A 75 -3.193 -4.070 -4.518 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.060 -5.879 -3.722 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.565 -4.249 -6.241 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.277 -5.540 -7.248 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.839 -4.531 -5.894 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.615 -6.282 -5.666 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.014 -6.448 -7.262 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.774 -7.225 -5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.131 -6.100 -5.921 1.00 0.00 H new ATOM 1191 N VAL A 76 0.466 -4.164 -2.780 1.00 0.00 N ATOM 1192 CA VAL A 76 1.452 -3.212 -2.281 1.00 0.00 C ATOM 1193 C VAL A 76 2.880 -3.628 -2.628 1.00 0.00 C ATOM 1194 O VAL A 76 3.324 -4.720 -2.270 1.00 0.00 O ATOM 1195 CB VAL A 76 1.346 -3.046 -0.752 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.305 -1.971 -0.267 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.084 -2.722 -0.343 1.00 0.00 C ATOM 0 H VAL A 76 0.441 -5.051 -2.278 1.00 0.00 H new ATOM 0 HA VAL A 76 1.231 -2.264 -2.771 1.00 0.00 H new ATOM 0 HB VAL A 76 1.624 -3.990 -0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.218 -1.866 0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.326 -2.252 -0.523 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.060 -1.022 -0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.136 -2.609 0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.397 -1.793 -0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.744 -3.531 -0.655 1.00 0.00 H new ATOM 1207 N LEU A 77 3.591 -2.750 -3.337 1.00 0.00 N ATOM 1208 CA LEU A 77 4.980 -3.000 -3.711 1.00 0.00 C ATOM 1209 C LEU A 77 5.893 -2.038 -2.972 1.00 0.00 C ATOM 1210 O LEU A 77 6.008 -0.875 -3.342 1.00 0.00 O ATOM 1211 CB LEU A 77 5.178 -2.839 -5.219 1.00 0.00 C ATOM 1212 CG LEU A 77 4.457 -3.879 -6.080 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.713 -3.618 -7.556 1.00 0.00 C ATOM 1214 CD2 LEU A 77 4.897 -5.284 -5.700 1.00 0.00 C ATOM 0 H LEU A 77 3.224 -1.856 -3.664 1.00 0.00 H new ATOM 0 HA LEU A 77 5.228 -4.025 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.835 -1.846 -5.511 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.245 -2.885 -5.437 1.00 0.00 H new ATOM 0 HG LEU A 77 3.386 -3.795 -5.897 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.193 -4.367 -8.153 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.347 -2.626 -7.819 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.783 -3.674 -7.755 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.374 -6.010 -6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.972 -5.383 -5.853 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.661 -5.468 -4.652 1.00 0.00 H new ATOM 1226 N VAL A 78 6.551 -2.525 -1.934 1.00 0.00 N ATOM 1227 CA VAL A 78 7.431 -1.676 -1.144 1.00 0.00 C ATOM 1228 C VAL A 78 8.883 -1.810 -1.590 1.00 0.00 C ATOM 1229 O VAL A 78 9.535 -2.822 -1.331 1.00 0.00 O ATOM 1230 CB VAL A 78 7.322 -1.989 0.359 1.00 0.00 C ATOM 1231 CG1 VAL A 78 7.110 -0.706 1.158 1.00 0.00 C ATOM 1232 CG2 VAL A 78 6.195 -2.976 0.625 1.00 0.00 C ATOM 0 H VAL A 78 6.495 -3.494 -1.619 1.00 0.00 H new ATOM 0 HA VAL A 78 7.106 -0.649 -1.310 1.00 0.00 H new ATOM 0 HB VAL A 78 8.258 -2.446 0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.035 -0.946 2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.953 -0.034 0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.191 -0.221 0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.137 -3.182 1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.251 -2.550 0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.389 -3.904 0.086 1.00 0.00 H new ATOM 1242 N LYS A 79 9.378 -0.777 -2.267 1.00 0.00 N ATOM 1243 CA LYS A 79 10.751 -0.761 -2.759 1.00 0.00 C ATOM 1244 C LYS A 79 11.595 0.261 -1.998 1.00 0.00 C ATOM 1245 O LYS A 79 11.609 1.440 -2.345 1.00 0.00 O ATOM 1246 CB LYS A 79 10.771 -0.435 -4.254 1.00 0.00 C ATOM 1247 CG LYS A 79 10.529 -1.644 -5.143 1.00 0.00 C ATOM 1248 CD LYS A 79 10.642 -1.284 -6.617 1.00 0.00 C ATOM 1249 CE LYS A 79 9.545 -0.323 -7.047 1.00 0.00 C ATOM 1250 NZ LYS A 79 9.649 0.030 -8.490 1.00 0.00 N ATOM 0 H LYS A 79 8.844 0.064 -2.488 1.00 0.00 H new ATOM 0 HA LYS A 79 11.178 -1.751 -2.598 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.011 0.318 -4.464 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.735 0.006 -4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.251 -2.425 -4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.539 -2.052 -4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.616 -0.833 -6.808 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.587 -2.191 -7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.572 -0.773 -6.853 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.602 0.585 -6.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.883 0.687 -8.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.567 0.483 -8.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.569 -0.833 -9.065 1.00 0.00 H new ATOM 1264 N PRO A 80 12.310 -0.175 -0.945 1.00 0.00 N ATOM 1265 CA PRO A 80 13.151 0.714 -0.142 1.00 0.00 C ATOM 1266 C PRO A 80 14.053 1.594 -0.998 1.00 0.00 C ATOM 1267 O PRO A 80 15.029 1.125 -1.585 1.00 0.00 O ATOM 1268 CB PRO A 80 13.984 -0.234 0.732 1.00 0.00 C ATOM 1269 CG PRO A 80 13.667 -1.622 0.271 1.00 0.00 C ATOM 1270 CD PRO A 80 12.350 -1.555 -0.447 1.00 0.00 C ATOM 0 HA PRO A 80 12.548 1.411 0.440 1.00 0.00 H new ATOM 0 HB2 PRO A 80 15.048 -0.024 0.628 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.736 -0.109 1.786 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.448 -1.997 -0.390 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.611 -2.306 1.118 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.298 -2.278 -1.261 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.516 -1.766 0.222 1.00 0.00 H new ATOM 1278 N ARG A 81 13.713 2.878 -1.063 1.00 0.00 N ATOM 1279 CA ARG A 81 14.479 3.842 -1.844 1.00 0.00 C ATOM 1280 C ARG A 81 15.805 4.171 -1.165 1.00 0.00 C ATOM 1281 O ARG A 81 16.848 4.238 -1.817 1.00 0.00 O ATOM 1282 CB ARG A 81 13.674 5.126 -2.034 1.00 0.00 C ATOM 1283 CG ARG A 81 13.138 5.311 -3.442 1.00 0.00 C ATOM 1284 CD ARG A 81 12.176 6.485 -3.512 1.00 0.00 C ATOM 1285 NE ARG A 81 11.796 6.800 -4.886 1.00 0.00 N ATOM 1286 CZ ARG A 81 11.280 7.968 -5.259 1.00 0.00 C ATOM 1287 NH1 ARG A 81 11.087 8.929 -4.365 1.00 0.00 N ATOM 1288 NH2 ARG A 81 10.958 8.177 -6.528 1.00 0.00 N ATOM 0 H ARG A 81 12.907 3.276 -0.581 1.00 0.00 H new ATOM 0 HA ARG A 81 14.687 3.394 -2.816 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.838 5.127 -1.334 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.303 5.979 -1.780 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.967 5.474 -4.131 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.631 4.402 -3.764 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.282 6.256 -2.932 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.638 7.360 -3.054 1.00 0.00 H new ATOM 0 HE ARG A 81 11.934 6.085 -5.600 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.335 8.774 -3.388 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.691 9.823 -4.655 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.106 7.442 -7.219 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.562 9.073 -6.813 1.00 0.00 H new ATOM 1302 N LYS A 82 15.755 4.375 0.147 1.00 0.00 N ATOM 1303 CA LYS A 82 16.946 4.713 0.917 1.00 0.00 C ATOM 1304 C LYS A 82 17.377 3.550 1.804 1.00 0.00 C ATOM 1305 O LYS A 82 16.697 2.525 1.875 1.00 0.00 O ATOM 1306 CB LYS A 82 16.679 5.951 1.777 1.00 0.00 C ATOM 1307 CG LYS A 82 16.113 7.125 0.993 1.00 0.00 C ATOM 1308 CD LYS A 82 15.964 8.360 1.865 1.00 0.00 C ATOM 1309 CE LYS A 82 15.398 9.531 1.079 1.00 0.00 C ATOM 1310 NZ LYS A 82 15.296 10.760 1.913 1.00 0.00 N ATOM 0 H LYS A 82 14.900 4.312 0.700 1.00 0.00 H new ATOM 0 HA LYS A 82 17.753 4.925 0.216 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.983 5.687 2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.609 6.259 2.255 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.767 7.350 0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.142 6.852 0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.310 8.135 2.707 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.934 8.633 2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.033 9.730 0.215 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.412 9.269 0.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.301 11.058 1.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.655 10.562 2.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.861 11.520 1.482 1.00 0.00 H new ATOM 1324 N ARG A 83 18.511 3.716 2.477 1.00 0.00 N ATOM 1325 CA ARG A 83 19.036 2.685 3.363 1.00 0.00 C ATOM 1326 C ARG A 83 18.929 3.119 4.821 1.00 0.00 C ATOM 1327 O ARG A 83 19.047 4.304 5.136 1.00 0.00 O ATOM 1328 CB ARG A 83 20.493 2.384 3.017 1.00 0.00 C ATOM 1329 CG ARG A 83 20.717 2.066 1.549 1.00 0.00 C ATOM 1330 CD ARG A 83 22.198 2.037 1.208 1.00 0.00 C ATOM 1331 NE ARG A 83 22.430 1.738 -0.202 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.628 1.781 -0.777 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.698 2.108 -0.065 1.00 0.00 N ATOM 1334 NH2 ARG A 83 23.758 1.495 -2.065 1.00 0.00 N ATOM 0 H ARG A 83 19.085 4.558 2.425 1.00 0.00 H new ATOM 0 HA ARG A 83 18.441 1.782 3.225 1.00 0.00 H new ATOM 0 HB2 ARG A 83 21.107 3.241 3.292 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.834 1.541 3.619 1.00 0.00 H new ATOM 0 HG2 ARG A 83 20.268 1.101 1.311 1.00 0.00 H new ATOM 0 HG3 ARG A 83 20.215 2.812 0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.645 3.001 1.452 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.697 1.289 1.824 1.00 0.00 H new ATOM 0 HE ARG A 83 21.628 1.482 -0.778 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.603 2.327 0.927 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.616 2.140 -0.509 1.00 0.00 H new ATOM 0 HH21 ARG A 83 22.938 1.242 -2.616 1.00 0.00 H new ATOM 0 HH22 ARG A 83 24.678 1.529 -2.505 1.00 0.00 H new ATOM 1348 N GLY A 84 18.708 2.154 5.706 1.00 0.00 N ATOM 1349 CA GLY A 84 18.592 2.457 7.121 1.00 0.00 C ATOM 1350 C GLY A 84 17.368 1.821 7.749 1.00 0.00 C ATOM 1351 O GLY A 84 17.172 0.610 7.653 1.00 0.00 O ATOM 0 H GLY A 84 18.607 1.167 5.469 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.486 2.108 7.639 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.546 3.538 7.256 1.00 0.00 H new ATOM 1355 N HIS A 85 16.544 2.639 8.396 1.00 0.00 N ATOM 1356 CA HIS A 85 15.334 2.144 9.040 1.00 0.00 C ATOM 1357 C HIS A 85 14.091 2.628 8.305 1.00 0.00 C ATOM 1358 O HIS A 85 13.715 3.798 8.393 1.00 0.00 O ATOM 1359 CB HIS A 85 15.281 2.591 10.497 1.00 0.00 C ATOM 1360 CG HIS A 85 14.092 2.068 11.243 1.00 0.00 C ATOM 1361 ND1 HIS A 85 12.976 2.832 11.512 1.00 0.00 N ATOM 1362 CD2 HIS A 85 13.848 0.848 11.778 1.00 0.00 C ATOM 1363 CE1 HIS A 85 12.099 2.106 12.182 1.00 0.00 C ATOM 1364 NE2 HIS A 85 12.603 0.899 12.356 1.00 0.00 N ATOM 0 H HIS A 85 16.692 3.644 8.488 1.00 0.00 H new ATOM 0 HA HIS A 85 15.358 1.055 9.005 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.189 2.263 11.002 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.272 3.680 10.534 1.00 0.00 H new ATOM 0 HD2 HIS A 85 14.509 -0.006 11.755 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.133 2.443 12.529 1.00 0.00 H new ATOM 0 HE2 HIS A 85 12.143 0.129 12.841 1.00 0.00 H new ATOM 1373 N HIS A 86 13.463 1.715 7.582 1.00 0.00 N ATOM 1374 CA HIS A 86 12.256 2.026 6.825 1.00 0.00 C ATOM 1375 C HIS A 86 11.078 1.212 7.345 1.00 0.00 C ATOM 1376 O HIS A 86 11.264 0.240 8.077 1.00 0.00 O ATOM 1377 CB HIS A 86 12.472 1.746 5.335 1.00 0.00 C ATOM 1378 CG HIS A 86 13.474 2.656 4.693 1.00 0.00 C ATOM 1379 ND1 HIS A 86 14.279 3.517 5.410 1.00 0.00 N ATOM 1380 CD2 HIS A 86 13.796 2.842 3.392 1.00 0.00 C ATOM 1381 CE1 HIS A 86 15.050 4.191 4.577 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.776 3.801 3.348 1.00 0.00 N ATOM 0 H HIS A 86 13.770 0.746 7.502 1.00 0.00 H new ATOM 0 HA HIS A 86 12.033 3.085 6.953 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.800 0.714 5.212 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.520 1.843 4.814 1.00 0.00 H new ATOM 0 HD1 HIS A 86 14.278 3.617 6.425 1.00 0.00 H new ATOM 0 HD2 HIS A 86 13.362 2.331 2.546 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.781 4.936 4.855 1.00 0.00 H new ATOM 1391 N THR A 87 9.866 1.610 6.970 1.00 0.00 N ATOM 1392 CA THR A 87 8.672 0.906 7.419 1.00 0.00 C ATOM 1393 C THR A 87 7.473 1.184 6.518 1.00 0.00 C ATOM 1394 O THR A 87 7.313 2.291 6.001 1.00 0.00 O ATOM 1395 CB THR A 87 8.307 1.302 8.859 1.00 0.00 C ATOM 1396 OG1 THR A 87 9.411 1.050 9.736 1.00 0.00 O ATOM 1397 CG2 THR A 87 7.094 0.525 9.330 1.00 0.00 C ATOM 0 H THR A 87 9.686 2.409 6.362 1.00 0.00 H new ATOM 0 HA THR A 87 8.907 -0.157 7.375 1.00 0.00 H new ATOM 0 HB THR A 87 8.073 2.367 8.874 1.00 0.00 H new ATOM 0 HG1 THR A 87 9.217 0.265 10.289 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.849 0.817 10.351 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.248 0.741 8.678 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.312 -0.543 9.300 1.00 0.00 H new ATOM 1405 N LEU A 88 6.626 0.172 6.347 1.00 0.00 N ATOM 1406 CA LEU A 88 5.436 0.292 5.517 1.00 0.00 C ATOM 1407 C LEU A 88 4.180 0.236 6.375 1.00 0.00 C ATOM 1408 O LEU A 88 3.655 -0.840 6.659 1.00 0.00 O ATOM 1409 CB LEU A 88 5.395 -0.822 4.474 1.00 0.00 C ATOM 1410 CG LEU A 88 4.070 -0.954 3.717 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.966 0.106 2.634 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.933 -2.346 3.122 1.00 0.00 C ATOM 0 H LEU A 88 6.746 -0.745 6.777 1.00 0.00 H new ATOM 0 HA LEU A 88 5.475 1.254 5.006 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.193 -0.652 3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.609 -1.770 4.968 1.00 0.00 H new ATOM 0 HG LEU A 88 3.253 -0.802 4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.018 -0.004 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.016 1.096 3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.789 -0.012 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.986 -2.422 2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.755 -2.529 2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.959 -3.087 3.921 1.00 0.00 H new ATOM 1424 N GLU A 89 3.711 1.398 6.794 1.00 0.00 N ATOM 1425 CA GLU A 89 2.522 1.483 7.619 1.00 0.00 C ATOM 1426 C GLU A 89 1.256 1.258 6.803 1.00 0.00 C ATOM 1427 O GLU A 89 0.834 2.133 6.053 1.00 0.00 O ATOM 1428 CB GLU A 89 2.463 2.848 8.297 1.00 0.00 C ATOM 1429 CG GLU A 89 3.533 3.031 9.349 1.00 0.00 C ATOM 1430 CD GLU A 89 3.548 4.429 9.936 1.00 0.00 C ATOM 1431 OE1 GLU A 89 2.844 4.657 10.942 1.00 0.00 O ATOM 1432 OE2 GLU A 89 4.264 5.295 9.390 1.00 0.00 O ATOM 0 H GLU A 89 4.138 2.298 6.575 1.00 0.00 H new ATOM 0 HA GLU A 89 2.579 0.697 8.372 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.566 3.627 7.542 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.483 2.977 8.757 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.377 2.308 10.149 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.507 2.816 8.911 1.00 0.00 H new ATOM 1439 N LEU A 90 0.667 0.073 6.938 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.575 -0.242 6.240 1.00 0.00 C ATOM 1441 C LEU A 90 -1.701 -0.401 7.252 1.00 0.00 C ATOM 1442 O LEU A 90 -1.549 -1.091 8.262 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.438 -1.511 5.393 1.00 0.00 C ATOM 1444 CG LEU A 90 0.410 -1.362 4.127 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.525 -2.696 3.405 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.185 -0.307 3.206 1.00 0.00 C ATOM 0 H LEU A 90 1.028 -0.682 7.522 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.806 0.580 5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.003 -2.296 6.012 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.435 -1.846 5.106 1.00 0.00 H new ATOM 0 HG LEU A 90 1.410 -1.039 4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.131 -2.573 2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.996 -3.426 4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.469 -3.046 3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.431 -0.215 2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.196 -0.600 2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.218 0.652 3.724 1.00 0.00 H new ATOM 1458 N VAL A 91 -2.827 0.243 6.980 1.00 0.00 N ATOM 1459 CA VAL A 91 -3.966 0.198 7.883 1.00 0.00 C ATOM 1460 C VAL A 91 -5.283 0.037 7.122 1.00 0.00 C ATOM 1461 O VAL A 91 -5.382 0.391 5.942 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.033 1.494 8.714 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.157 2.699 7.793 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.180 1.452 9.713 1.00 0.00 C ATOM 0 H VAL A 91 -2.975 0.803 6.140 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.830 -0.665 8.535 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.108 1.584 9.284 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.204 3.610 8.390 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.291 2.742 7.132 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.065 2.609 7.197 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.200 2.381 10.283 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.123 1.334 9.179 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.040 0.612 10.393 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.287 -0.510 7.807 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.609 -0.692 7.221 1.00 0.00 C ATOM 1476 C TYR A 92 -8.481 0.514 7.564 1.00 0.00 C ATOM 1477 O TYR A 92 -9.336 0.440 8.443 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.246 -1.982 7.751 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.376 -2.521 6.898 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.299 -2.511 5.511 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.519 -3.051 7.487 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.327 -3.010 4.734 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.550 -3.556 6.717 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.449 -3.532 5.342 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.474 -4.033 4.572 1.00 0.00 O ATOM 0 H TYR A 92 -6.207 -0.835 8.771 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.521 -0.774 6.138 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.473 -2.746 7.834 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.623 -1.799 8.757 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.420 -2.106 5.031 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.602 -3.068 8.564 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.252 -2.991 3.657 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.430 -3.967 7.190 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.189 -4.364 5.155 1.00 0.00 H new ATOM 1495 N THR A 93 -8.244 1.627 6.866 1.00 0.00 N ATOM 1496 CA THR A 93 -8.970 2.875 7.118 1.00 0.00 C ATOM 1497 C THR A 93 -10.007 3.192 6.047 1.00 0.00 C ATOM 1498 O THR A 93 -9.875 2.779 4.901 1.00 0.00 O ATOM 1499 CB THR A 93 -7.997 4.058 7.184 1.00 0.00 C ATOM 1500 OG1 THR A 93 -8.728 5.276 7.359 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.167 4.130 5.909 1.00 0.00 C ATOM 0 H THR A 93 -7.552 1.690 6.119 1.00 0.00 H new ATOM 0 HA THR A 93 -9.484 2.729 8.068 1.00 0.00 H new ATOM 0 HB THR A 93 -7.326 3.916 8.031 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.527 5.103 7.900 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.480 4.974 5.969 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.598 3.207 5.792 1.00 0.00 H new ATOM 0 HG23 THR A 93 -7.828 4.260 5.052 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.021 3.969 6.431 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.087 4.363 5.513 1.00 0.00 C ATOM 1511 C ARG A 94 -11.711 5.618 4.724 1.00 0.00 C ATOM 1512 O ARG A 94 -11.747 6.726 5.261 1.00 0.00 O ATOM 1513 CB ARG A 94 -13.384 4.624 6.279 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.068 3.362 6.774 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.473 3.646 7.276 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.333 4.179 6.222 1.00 0.00 N ATOM 1517 CZ ARG A 94 -17.658 4.074 6.226 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.275 3.458 7.225 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -18.368 4.586 5.230 1.00 0.00 N ATOM 0 H ARG A 94 -11.125 4.338 7.376 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.232 3.540 4.813 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.168 5.267 7.132 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.072 5.170 5.634 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.111 2.630 5.967 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.478 2.918 7.576 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -15.909 2.728 7.671 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.427 4.357 8.101 1.00 0.00 H new ATOM 0 HE ARG A 94 -15.891 4.659 5.438 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.733 3.063 7.993 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.292 3.379 7.225 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -17.897 5.061 4.460 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.385 4.505 5.234 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.347 5.463 3.438 1.00 0.00 N ATOM 1534 CA PRO A 95 -10.979 6.591 2.576 1.00 0.00 C ATOM 1535 C PRO A 95 -12.077 7.644 2.507 1.00 0.00 C ATOM 1536 O PRO A 95 -11.806 8.832 2.333 1.00 0.00 O ATOM 1537 CB PRO A 95 -10.769 5.954 1.196 1.00 0.00 C ATOM 1538 CG PRO A 95 -11.343 4.578 1.290 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.254 4.182 2.729 1.00 0.00 C ATOM 0 HA PRO A 95 -10.098 7.111 2.953 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.267 6.533 0.418 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -9.710 5.919 0.939 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.377 4.564 0.946 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.789 3.882 0.660 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.062 3.507 3.011 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.318 3.668 2.948 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.317 7.195 2.647 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.467 8.073 2.601 1.00 0.00 C ATOM 1549 C PHE A 96 -14.577 8.932 3.860 1.00 0.00 C ATOM 1550 O PHE A 96 -15.154 10.018 3.829 1.00 0.00 O ATOM 1551 CB PHE A 96 -15.726 7.233 2.428 1.00 0.00 C ATOM 1552 CG PHE A 96 -15.795 6.519 1.108 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -15.126 5.320 0.918 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -16.526 7.048 0.057 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -15.186 4.662 -0.296 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -16.589 6.394 -1.160 1.00 0.00 C ATOM 1557 CZ PHE A 96 -15.918 5.199 -1.336 1.00 0.00 C ATOM 0 H PHE A 96 -13.549 6.213 2.795 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.349 8.751 1.756 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -15.776 6.499 3.232 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.599 7.877 2.529 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.551 4.895 1.728 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -17.053 7.982 0.189 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.660 3.728 -0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -17.162 6.817 -1.972 1.00 0.00 H new ATOM 0 HZ PHE A 96 -15.966 4.686 -2.285 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.022 8.443 4.969 1.00 0.00 N ATOM 1568 CA GLU A 97 -14.076 9.178 6.230 1.00 0.00 C ATOM 1569 C GLU A 97 -12.679 9.427 6.798 1.00 0.00 C ATOM 1570 O GLU A 97 -12.064 10.458 6.526 1.00 0.00 O ATOM 1571 CB GLU A 97 -14.927 8.421 7.254 1.00 0.00 C ATOM 1572 CG GLU A 97 -16.375 8.242 6.829 1.00 0.00 C ATOM 1573 CD GLU A 97 -17.223 7.595 7.907 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -17.213 6.350 8.001 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -17.895 8.334 8.656 1.00 0.00 O ATOM 0 H GLU A 97 -13.534 7.549 5.019 1.00 0.00 H new ATOM 0 HA GLU A 97 -14.534 10.145 6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.484 7.440 7.428 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -14.899 8.956 8.203 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -16.798 9.214 6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -16.412 7.631 5.927 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.186 8.477 7.587 1.00 0.00 N ATOM 1583 CA GLY A 98 -10.873 8.616 8.194 1.00 0.00 C ATOM 1584 C GLY A 98 -10.406 7.346 8.860 1.00 0.00 C ATOM 1585 O GLY A 98 -10.973 6.274 8.648 1.00 0.00 O ATOM 0 H GLY A 98 -12.673 7.611 7.818 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.152 8.908 7.430 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.900 9.419 8.930 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.367 7.472 9.669 1.00 0.00 N ATOM 1590 CA ILE A 99 -8.799 6.334 10.365 1.00 0.00 C ATOM 1591 C ILE A 99 -9.218 6.318 11.831 1.00 0.00 C ATOM 1592 O ILE A 99 -9.361 7.368 12.458 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.267 6.359 10.276 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -6.825 6.892 8.909 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.706 4.964 10.519 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.388 7.360 8.877 1.00 0.00 C ATOM 0 H ILE A 99 -8.899 8.358 9.859 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.177 5.433 9.882 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.878 7.026 11.045 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -6.960 6.109 8.162 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.474 7.720 8.624 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.618 4.993 10.454 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.001 4.621 11.511 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.097 4.279 9.767 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.146 7.724 7.878 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.251 8.165 9.599 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.729 6.529 9.130 1.00 0.00 H new ATOM 1608 N LYS A 100 -9.412 5.119 12.372 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.821 4.961 13.762 1.00 0.00 C ATOM 1610 C LYS A 100 -8.990 3.873 14.448 1.00 0.00 C ATOM 1611 O LYS A 100 -8.265 3.133 13.785 1.00 0.00 O ATOM 1612 CB LYS A 100 -11.313 4.620 13.826 1.00 0.00 C ATOM 1613 CG LYS A 100 -12.099 5.114 12.623 1.00 0.00 C ATOM 1614 CD LYS A 100 -13.585 4.842 12.777 1.00 0.00 C ATOM 1615 CE LYS A 100 -14.405 6.093 12.518 1.00 0.00 C ATOM 1616 NZ LYS A 100 -15.865 5.848 12.686 1.00 0.00 N ATOM 0 H LYS A 100 -9.292 4.241 11.867 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.650 5.899 14.290 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -11.428 3.539 13.906 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -11.738 5.054 14.731 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.936 6.184 12.495 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.730 4.625 11.721 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.887 4.057 12.084 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.787 4.474 13.783 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -14.089 6.882 13.201 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -14.211 6.450 11.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -16.388 6.727 12.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -16.173 5.114 12.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -16.054 5.532 13.658 1.00 0.00 H new ATOM 1630 N PRO A 101 -9.080 3.762 15.787 1.00 0.00 N ATOM 1631 CA PRO A 101 -8.325 2.763 16.553 1.00 0.00 C ATOM 1632 C PRO A 101 -8.795 1.339 16.276 1.00 0.00 C ATOM 1633 O PRO A 101 -7.989 0.413 16.191 1.00 0.00 O ATOM 1634 CB PRO A 101 -8.598 3.136 18.018 1.00 0.00 C ATOM 1635 CG PRO A 101 -9.202 4.497 17.978 1.00 0.00 C ATOM 1636 CD PRO A 101 -9.914 4.595 16.664 1.00 0.00 C ATOM 0 HA PRO A 101 -7.268 2.774 16.289 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -9.274 2.420 18.485 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.677 3.133 18.602 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.894 4.641 18.808 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.435 5.267 18.064 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.936 4.221 16.727 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -9.973 5.624 16.310 1.00 0.00 H new ATOM 1644 N GLU A 102 -10.105 1.176 16.137 1.00 0.00 N ATOM 1645 CA GLU A 102 -10.693 -0.135 15.872 1.00 0.00 C ATOM 1646 C GLU A 102 -10.315 -0.646 14.483 1.00 0.00 C ATOM 1647 O GLU A 102 -10.691 -1.752 14.095 1.00 0.00 O ATOM 1648 CB GLU A 102 -12.211 -0.061 15.996 1.00 0.00 C ATOM 1649 CG GLU A 102 -12.817 0.975 15.078 1.00 0.00 C ATOM 1650 CD GLU A 102 -14.329 1.034 15.171 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -14.999 0.304 14.410 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -14.843 1.808 16.006 1.00 0.00 O ATOM 0 H GLU A 102 -10.783 1.935 16.203 1.00 0.00 H new ATOM 0 HA GLU A 102 -10.298 -0.833 16.610 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -12.639 -1.038 15.769 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.477 0.172 17.027 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -12.405 1.954 15.321 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -12.530 0.755 14.050 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.570 0.166 13.743 1.00 0.00 N ATOM 1660 CA ASN A 103 -9.145 -0.194 12.396 1.00 0.00 C ATOM 1661 C ASN A 103 -8.003 -1.207 12.415 1.00 0.00 C ATOM 1662 O ASN A 103 -7.106 -1.130 13.255 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.725 1.057 11.641 1.00 0.00 C ATOM 1664 CG ASN A 103 -9.914 1.941 11.360 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -10.703 2.242 12.254 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -10.066 2.337 10.112 1.00 0.00 N ATOM 0 H ASN A 103 -9.247 1.082 14.055 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.989 -0.662 11.889 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -7.987 1.608 12.224 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.245 0.777 10.703 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -10.864 2.918 9.855 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -9.386 2.063 9.403 1.00 0.00 H new ATOM 1673 N GLU A 104 -8.047 -2.156 11.483 1.00 0.00 N ATOM 1674 CA GLU A 104 -7.021 -3.185 11.380 1.00 0.00 C ATOM 1675 C GLU A 104 -5.645 -2.560 11.179 1.00 0.00 C ATOM 1676 O GLU A 104 -5.534 -1.397 10.793 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.344 -4.127 10.221 1.00 0.00 C ATOM 1678 CG GLU A 104 -6.946 -5.570 10.480 1.00 0.00 C ATOM 1679 CD GLU A 104 -7.693 -6.550 9.595 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -8.914 -6.719 9.797 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -7.056 -7.151 8.705 1.00 0.00 O ATOM 0 H GLU A 104 -8.788 -2.232 10.786 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.006 -3.752 12.311 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.414 -4.085 10.017 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.835 -3.774 9.324 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.874 -5.682 10.316 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.136 -5.813 11.525 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.600 -3.339 11.436 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.231 -2.854 11.292 1.00 0.00 C ATOM 1690 C ARG A 105 -2.386 -3.820 10.467 1.00 0.00 C ATOM 1691 O ARG A 105 -2.745 -4.985 10.299 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.592 -2.666 12.675 1.00 0.00 C ATOM 1693 CG ARG A 105 -1.200 -2.052 12.633 1.00 0.00 C ATOM 1694 CD ARG A 105 -1.258 -0.534 12.673 1.00 0.00 C ATOM 1695 NE ARG A 105 0.051 0.044 12.945 1.00 0.00 N ATOM 1696 CZ ARG A 105 0.303 1.350 12.923 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -0.667 2.210 12.642 1.00 0.00 N ATOM 1698 NH2 ARG A 105 1.524 1.795 13.184 1.00 0.00 N ATOM 0 H ARG A 105 -4.674 -4.308 11.745 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.267 -1.897 10.771 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.240 -2.032 13.281 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.537 -3.634 13.173 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.615 -2.417 13.477 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.687 -2.374 11.727 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.632 -0.158 11.721 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.964 -0.216 13.440 1.00 0.00 H new ATOM 0 HE ARG A 105 0.819 -0.590 13.165 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.608 1.870 12.442 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -0.472 3.211 12.626 1.00 0.00 H new ATOM 0 HH21 ARG A 105 2.271 1.136 13.402 1.00 0.00 H new ATOM 0 HH22 ARG A 105 1.716 2.797 13.167 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.280 -3.309 9.929 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.341 -4.106 9.145 1.00 0.00 C ATOM 1714 C TYR A 106 0.867 -3.253 8.779 1.00 0.00 C ATOM 1715 O TYR A 106 1.041 -2.846 7.633 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.008 -4.677 7.890 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.127 -5.631 7.111 1.00 0.00 C ATOM 1718 CD1 TYR A 106 0.008 -6.958 7.503 1.00 0.00 C ATOM 1719 CD2 TYR A 106 0.567 -5.206 5.986 1.00 0.00 C ATOM 1720 CE1 TYR A 106 0.811 -7.832 6.796 1.00 0.00 C ATOM 1721 CE2 TYR A 106 1.371 -6.075 5.273 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.490 -7.387 5.682 1.00 0.00 C ATOM 1723 OH TYR A 106 2.290 -8.255 4.975 1.00 0.00 O ATOM 0 H TYR A 106 -1.010 -2.330 10.025 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.011 -4.952 9.748 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.922 -5.195 8.179 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.301 -3.854 7.239 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.523 -7.311 8.374 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.477 -4.179 5.663 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.906 -8.859 7.115 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.904 -5.729 4.400 1.00 0.00 H new ATOM 0 HH TYR A 106 1.934 -9.165 5.052 1.00 0.00 H new ATOM 1733 N THR A 107 1.694 -2.973 9.779 1.00 0.00 N ATOM 1734 CA THR A 107 2.882 -2.156 9.586 1.00 0.00 C ATOM 1735 C THR A 107 4.094 -3.018 9.252 1.00 0.00 C ATOM 1736 O THR A 107 4.750 -3.559 10.143 1.00 0.00 O ATOM 1737 CB THR A 107 3.180 -1.319 10.842 1.00 0.00 C ATOM 1738 OG1 THR A 107 1.977 -0.708 11.318 1.00 0.00 O ATOM 1739 CG2 THR A 107 4.207 -0.244 10.545 1.00 0.00 C ATOM 0 H THR A 107 1.561 -3.302 10.735 1.00 0.00 H new ATOM 0 HA THR A 107 2.684 -1.487 8.748 1.00 0.00 H new ATOM 0 HB THR A 107 3.581 -1.985 11.606 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.947 0.227 11.026 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.400 0.334 11.449 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.133 -0.709 10.206 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.827 0.417 9.766 1.00 0.00 H new ATOM 1747 N LEU A 108 4.386 -3.143 7.962 1.00 0.00 N ATOM 1748 CA LEU A 108 5.516 -3.944 7.507 1.00 0.00 C ATOM 1749 C LEU A 108 6.835 -3.220 7.738 1.00 0.00 C ATOM 1750 O LEU A 108 7.296 -2.459 6.887 1.00 0.00 O ATOM 1751 CB LEU A 108 5.363 -4.290 6.024 1.00 0.00 C ATOM 1752 CG LEU A 108 6.567 -4.997 5.393 1.00 0.00 C ATOM 1753 CD1 LEU A 108 6.947 -6.235 6.192 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.272 -5.363 3.948 1.00 0.00 C ATOM 0 H LEU A 108 3.855 -2.699 7.212 1.00 0.00 H new ATOM 0 HA LEU A 108 5.526 -4.865 8.089 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.485 -4.925 5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.170 -3.371 5.471 1.00 0.00 H new ATOM 0 HG LEU A 108 7.413 -4.310 5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.804 -6.720 5.725 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.204 -5.946 7.211 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.105 -6.927 6.213 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.138 -5.864 3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.410 -6.030 3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.056 -4.458 3.380 1.00 0.00 H new ATOM 1766 N HIS A 109 7.441 -3.466 8.891 1.00 0.00 N ATOM 1767 CA HIS A 109 8.713 -2.845 9.232 1.00 0.00 C ATOM 1768 C HIS A 109 9.856 -3.528 8.495 1.00 0.00 C ATOM 1769 O HIS A 109 9.919 -4.757 8.416 1.00 0.00 O ATOM 1770 CB HIS A 109 8.941 -2.891 10.736 1.00 0.00 C ATOM 1771 CG HIS A 109 8.290 -1.770 11.481 1.00 0.00 C ATOM 1772 ND1 HIS A 109 8.975 -0.648 11.903 1.00 0.00 N ATOM 1773 CD2 HIS A 109 7.010 -1.601 11.886 1.00 0.00 C ATOM 1774 CE1 HIS A 109 8.143 0.161 12.533 1.00 0.00 C ATOM 1775 NE2 HIS A 109 6.944 -0.393 12.536 1.00 0.00 N ATOM 0 H HIS A 109 7.072 -4.092 9.607 1.00 0.00 H new ATOM 0 HA HIS A 109 8.682 -1.801 8.921 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.564 -3.838 11.122 1.00 0.00 H new ATOM 0 HB3 HIS A 109 10.013 -2.871 10.932 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.192 -2.288 11.728 1.00 0.00 H new ATOM 0 HE1 HIS A 109 8.399 1.114 12.971 1.00 0.00 H new ATOM 0 HE2 HIS A 109 6.105 0.011 12.953 1.00 0.00 H new ATOM 1784 N LEU A 110 10.769 -2.718 7.977 1.00 0.00 N ATOM 1785 CA LEU A 110 11.904 -3.215 7.212 1.00 0.00 C ATOM 1786 C LEU A 110 13.158 -2.388 7.477 1.00 0.00 C ATOM 1787 O LEU A 110 13.228 -1.216 7.106 1.00 0.00 O ATOM 1788 CB LEU A 110 11.587 -3.171 5.715 1.00 0.00 C ATOM 1789 CG LEU A 110 10.471 -4.107 5.243 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.212 -3.907 3.757 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.823 -5.559 5.534 1.00 0.00 C ATOM 0 H LEU A 110 10.744 -1.703 8.074 1.00 0.00 H new ATOM 0 HA LEU A 110 12.089 -4.242 7.526 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.315 -2.149 5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.495 -3.412 5.163 1.00 0.00 H new ATOM 0 HG LEU A 110 9.562 -3.864 5.792 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.416 -4.578 3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.913 -2.875 3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.121 -4.125 3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.015 -6.205 5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.744 -5.821 5.014 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.962 -5.692 6.607 1.00 0.00 H new ATOM 1803 N ASN A 111 14.144 -3.001 8.117 1.00 0.00 N ATOM 1804 CA ASN A 111 15.399 -2.323 8.406 1.00 0.00 C ATOM 1805 C ASN A 111 16.343 -2.468 7.219 1.00 0.00 C ATOM 1806 O ASN A 111 17.170 -3.380 7.175 1.00 0.00 O ATOM 1807 CB ASN A 111 16.045 -2.893 9.670 1.00 0.00 C ATOM 1808 CG ASN A 111 17.308 -2.147 10.060 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.262 -1.190 10.833 1.00 0.00 O ATOM 1810 ND2 ASN A 111 18.442 -2.581 9.524 1.00 0.00 N ATOM 0 H ASN A 111 14.099 -3.966 8.446 1.00 0.00 H new ATOM 0 HA ASN A 111 15.196 -1.266 8.577 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.331 -2.848 10.492 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.282 -3.945 9.511 1.00 0.00 H new ATOM 0 HD21 ASN A 111 19.322 -2.117 9.748 1.00 0.00 H new ATOM 0 HD22 ASN A 111 18.433 -3.378 8.888 1.00 0.00 H new ATOM 1817 N VAL A 112 16.202 -1.568 6.254 1.00 0.00 N ATOM 1818 CA VAL A 112 17.022 -1.596 5.049 1.00 0.00 C ATOM 1819 C VAL A 112 18.508 -1.574 5.389 1.00 0.00 C ATOM 1820 O VAL A 112 18.983 -0.677 6.085 1.00 0.00 O ATOM 1821 CB VAL A 112 16.696 -0.405 4.127 1.00 0.00 C ATOM 1822 CG1 VAL A 112 17.357 -0.580 2.769 1.00 0.00 C ATOM 1823 CG2 VAL A 112 15.192 -0.240 3.976 1.00 0.00 C ATOM 0 H VAL A 112 15.524 -0.806 6.283 1.00 0.00 H new ATOM 0 HA VAL A 112 16.791 -2.526 4.529 1.00 0.00 H new ATOM 0 HB VAL A 112 17.094 0.500 4.585 1.00 0.00 H new ATOM 0 HG11 VAL A 112 17.114 0.272 2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 112 18.438 -0.642 2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.994 -1.496 2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.983 0.606 3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.768 -1.147 3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.746 -0.061 4.954 1.00 0.00 H new ATOM 1833 N LYS A 113 19.238 -2.568 4.892 1.00 0.00 N ATOM 1834 CA LYS A 113 20.670 -2.663 5.140 1.00 0.00 C ATOM 1835 C LYS A 113 21.438 -1.651 4.296 1.00 0.00 C ATOM 1836 O LYS A 113 21.796 -1.988 3.147 1.00 0.00 O ATOM 1837 CB LYS A 113 21.163 -4.079 4.837 1.00 0.00 C ATOM 1838 CG LYS A 113 20.490 -5.154 5.678 1.00 0.00 C ATOM 1839 CD LYS A 113 20.790 -4.987 7.162 1.00 0.00 C ATOM 1840 CE LYS A 113 22.175 -5.503 7.525 1.00 0.00 C ATOM 1841 NZ LYS A 113 23.259 -4.671 6.933 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.676 -0.529 4.790 1.00 0.00 O ATOM 0 H LYS A 113 18.860 -3.319 4.315 1.00 0.00 H new ATOM 0 HA LYS A 113 20.850 -2.438 6.191 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.993 -4.296 3.782 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.240 -4.122 5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.412 -5.117 5.519 1.00 0.00 H new ATOM 0 HG3 LYS A 113 20.827 -6.137 5.348 1.00 0.00 H new ATOM 0 HD2 LYS A 113 20.714 -3.933 7.431 1.00 0.00 H new ATOM 0 HD3 LYS A 113 20.040 -5.520 7.746 1.00 0.00 H new ATOM 0 HE2 LYS A 113 22.282 -5.518 8.610 1.00 0.00 H new ATOM 0 HE3 LYS A 113 22.279 -6.532 7.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 24.083 -4.671 7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 23.533 -5.064 6.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 22.919 -3.696 6.807 1.00 0.00 H new