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 111 ASN : amide:sc= -4.24! K(o=-4.6!,f=-0.4) USER MOD Set 1.2: A 113 LYS NZ :NH3+ -154:sc= -0.377 (180deg=0.432) USER MOD Set 2.1: A 87 THR OG1 : rot -113:sc= 0.377 USER MOD Set 2.2: A 109 HIS : no HD1:sc= -1.5 K(o=-1.1,f=-3.2) USER MOD Set 3.1: A 34 TYR OH : rot 150:sc= 0.251 USER MOD Set 3.2: A 100 LYS NZ :NH3+ -121:sc= 0.268 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -7.82! K(o=-7.8!,f=-2.1) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.187 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0353) USER MOD Single : A 21 THR OG1 : rot -174:sc= -0.86 USER MOD Single : A 22 THR OG1 : rot 53:sc= 0.214 USER MOD Single : A 25 HIS : no HE2:sc= -1.96 K(o=-2,f=-6.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 35 MET CE :methyl 138:sc= -1.6! (180deg=-2.41) USER MOD Single : A 37 THR OG1 : rot 110:sc= -0.082 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= -0.595 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 70:sc= 0.378 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -160:sc= -0.0659 (180deg=-0.707) USER MOD Single : A 82 LYS NZ :NH3+ -170:sc= -0.0118 (180deg=-0.126) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 86 HIS : no HE2:sc= -7.78! C(o=-7.8!,f=-13!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -110:sc= -3.23! USER MOD Single : A 103 ASN : amide:sc= -6.38! C(o=-6.4!,f=-4.8!) USER MOD Single : A 106 TYR OH : rot 180:sc= -0.973 USER MOD Single : A 107 THR OG1 : rot 112:sc= -0.434 USER MOD ----------------------------------------------------------------- ATOM 179 N ASN A 10 0.302 -8.394 13.073 1.00 0.00 N ATOM 180 CA ASN A 10 0.550 -7.668 11.837 1.00 0.00 C ATOM 181 C ASN A 10 1.981 -7.159 11.755 1.00 0.00 C ATOM 182 O ASN A 10 2.842 -7.791 11.144 1.00 0.00 O ATOM 183 CB ASN A 10 -0.417 -6.492 11.725 1.00 0.00 C ATOM 184 CG ASN A 10 -1.026 -6.098 13.057 1.00 0.00 C ATOM 185 OD1 ASN A 10 -2.051 -6.639 13.470 1.00 0.00 O ATOM 186 ND2 ASN A 10 -0.398 -5.142 13.733 1.00 0.00 N ATOM 0 HA ASN A 10 0.393 -8.361 11.011 1.00 0.00 H new ATOM 0 HB2 ASN A 10 0.109 -5.635 11.304 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.215 -6.750 11.029 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.763 -4.829 14.632 1.00 0.00 H new ATOM 0 HD22 ASN A 10 0.450 -4.721 13.353 1.00 0.00 H new ATOM 193 N ASP A 11 2.204 -6.002 12.368 1.00 0.00 N ATOM 194 CA ASP A 11 3.505 -5.349 12.392 1.00 0.00 C ATOM 195 C ASP A 11 4.645 -6.346 12.227 1.00 0.00 C ATOM 196 O ASP A 11 4.996 -7.069 13.159 1.00 0.00 O ATOM 197 CB ASP A 11 3.677 -4.579 13.699 1.00 0.00 C ATOM 198 CG ASP A 11 2.446 -3.774 14.067 1.00 0.00 C ATOM 199 OD1 ASP A 11 2.193 -2.742 13.411 1.00 0.00 O ATOM 200 OD2 ASP A 11 1.738 -4.173 15.015 1.00 0.00 O ATOM 0 H ASP A 11 1.479 -5.487 12.867 1.00 0.00 H new ATOM 0 HA ASP A 11 3.543 -4.659 11.549 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.902 -5.280 14.503 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.532 -3.909 13.612 1.00 0.00 H new ATOM 205 N LYS A 12 5.204 -6.383 11.026 1.00 0.00 N ATOM 206 CA LYS A 12 6.309 -7.275 10.719 1.00 0.00 C ATOM 207 C LYS A 12 7.643 -6.555 10.907 1.00 0.00 C ATOM 208 O LYS A 12 8.162 -5.929 9.983 1.00 0.00 O ATOM 209 CB LYS A 12 6.176 -7.799 9.288 1.00 0.00 C ATOM 210 CG LYS A 12 7.401 -8.542 8.795 1.00 0.00 C ATOM 211 CD LYS A 12 7.647 -9.813 9.593 1.00 0.00 C ATOM 212 CE LYS A 12 8.853 -10.577 9.068 1.00 0.00 C ATOM 213 NZ LYS A 12 9.100 -11.825 9.841 1.00 0.00 N ATOM 0 H LYS A 12 4.906 -5.800 10.244 1.00 0.00 H new ATOM 0 HA LYS A 12 6.280 -8.122 11.404 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.313 -8.462 9.232 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.977 -6.961 8.620 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.275 -8.792 7.742 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.274 -7.893 8.866 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.803 -9.561 10.642 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.763 -10.450 9.547 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.696 -10.825 8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.736 -9.939 9.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.930 -12.316 9.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.275 -11.587 10.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.268 -12.445 9.774 1.00 0.00 H new ATOM 227 N TRP A 13 8.182 -6.641 12.117 1.00 0.00 N ATOM 228 CA TRP A 13 9.446 -6.006 12.453 1.00 0.00 C ATOM 229 C TRP A 13 10.615 -6.824 11.918 1.00 0.00 C ATOM 230 O TRP A 13 10.970 -7.856 12.487 1.00 0.00 O ATOM 231 CB TRP A 13 9.537 -5.845 13.972 1.00 0.00 C ATOM 232 CG TRP A 13 8.218 -5.473 14.593 1.00 0.00 C ATOM 233 CD1 TRP A 13 7.203 -6.324 14.922 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.766 -4.158 14.945 1.00 0.00 C ATOM 235 NE1 TRP A 13 6.142 -5.621 15.439 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.463 -4.290 15.467 1.00 0.00 C ATOM 237 CE3 TRP A 13 8.332 -2.882 14.869 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.718 -3.195 15.905 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.594 -1.798 15.307 1.00 0.00 C ATOM 240 CH2 TRP A 13 6.299 -1.959 15.818 1.00 0.00 C ATOM 0 H TRP A 13 7.755 -7.152 12.890 1.00 0.00 H new ATOM 0 HA TRP A 13 9.494 -5.022 11.988 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.892 -6.777 14.412 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.275 -5.079 14.209 1.00 0.00 H new ATOM 0 HD1 TRP A 13 7.230 -7.396 14.794 1.00 0.00 H new ATOM 0 HE1 TRP A 13 5.259 -6.025 15.751 1.00 0.00 H new ATOM 0 HE3 TRP A 13 9.328 -2.745 14.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.720 -3.318 16.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.024 -0.809 15.254 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.749 -1.091 16.150 1.00 0.00 H new ATOM 251 N VAL A 14 11.214 -6.362 10.817 1.00 0.00 N ATOM 252 CA VAL A 14 12.331 -7.088 10.214 1.00 0.00 C ATOM 253 C VAL A 14 13.227 -6.170 9.397 1.00 0.00 C ATOM 254 O VAL A 14 12.966 -4.978 9.271 1.00 0.00 O ATOM 255 CB VAL A 14 11.818 -8.240 9.322 1.00 0.00 C ATOM 256 CG1 VAL A 14 11.300 -7.708 7.993 1.00 0.00 C ATOM 257 CG2 VAL A 14 12.887 -9.301 9.106 1.00 0.00 C ATOM 0 H VAL A 14 10.949 -5.504 10.333 1.00 0.00 H new ATOM 0 HA VAL A 14 12.921 -7.501 11.032 1.00 0.00 H new ATOM 0 HB VAL A 14 10.988 -8.716 9.845 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.944 -8.538 7.383 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.480 -7.013 8.174 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.104 -7.191 7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.489 -10.095 8.474 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.753 -8.851 8.621 1.00 0.00 H new ATOM 0 HG23 VAL A 14 13.185 -9.718 10.068 1.00 0.00 H new ATOM 267 N ASP A 15 14.289 -6.752 8.859 1.00 0.00 N ATOM 268 CA ASP A 15 15.256 -6.026 8.044 1.00 0.00 C ATOM 269 C ASP A 15 14.999 -6.265 6.557 1.00 0.00 C ATOM 270 O ASP A 15 14.055 -6.967 6.193 1.00 0.00 O ATOM 271 CB ASP A 15 16.666 -6.481 8.414 1.00 0.00 C ATOM 272 CG ASP A 15 17.231 -5.722 9.597 1.00 0.00 C ATOM 273 OD1 ASP A 15 16.786 -5.981 10.736 1.00 0.00 O ATOM 274 OD2 ASP A 15 18.121 -4.873 9.387 1.00 0.00 O ATOM 0 H ASP A 15 14.506 -7.742 8.975 1.00 0.00 H new ATOM 0 HA ASP A 15 15.153 -4.958 8.237 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.651 -7.546 8.644 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.324 -6.349 7.555 1.00 0.00 H new ATOM 279 N THR A 16 15.841 -5.685 5.698 1.00 0.00 N ATOM 280 CA THR A 16 15.680 -5.848 4.254 1.00 0.00 C ATOM 281 C THR A 16 16.814 -5.189 3.472 1.00 0.00 C ATOM 282 O THR A 16 17.777 -4.687 4.050 1.00 0.00 O ATOM 283 CB THR A 16 14.340 -5.256 3.779 1.00 0.00 C ATOM 284 OG1 THR A 16 13.940 -5.866 2.546 1.00 0.00 O ATOM 285 CG2 THR A 16 14.440 -3.749 3.589 1.00 0.00 C ATOM 0 H THR A 16 16.633 -5.105 5.975 1.00 0.00 H new ATOM 0 HA THR A 16 15.700 -6.921 4.061 1.00 0.00 H new ATOM 0 HB THR A 16 13.595 -5.460 4.548 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.086 -5.484 2.254 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.479 -3.360 3.253 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.711 -3.280 4.535 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.202 -3.526 2.842 1.00 0.00 H new ATOM 293 N HIS A 17 16.682 -5.200 2.145 1.00 0.00 N ATOM 294 CA HIS A 17 17.671 -4.596 1.260 1.00 0.00 C ATOM 295 C HIS A 17 17.055 -3.421 0.504 1.00 0.00 C ATOM 296 O HIS A 17 15.941 -3.004 0.806 1.00 0.00 O ATOM 297 CB HIS A 17 18.212 -5.635 0.276 1.00 0.00 C ATOM 298 CG HIS A 17 19.404 -6.381 0.788 1.00 0.00 C ATOM 299 ND1 HIS A 17 19.332 -7.663 1.291 1.00 0.00 N ATOM 300 CD2 HIS A 17 20.707 -6.021 0.870 1.00 0.00 C ATOM 301 CE1 HIS A 17 20.537 -8.058 1.661 1.00 0.00 C ATOM 302 NE2 HIS A 17 21.389 -7.080 1.415 1.00 0.00 N ATOM 0 H HIS A 17 15.892 -5.625 1.659 1.00 0.00 H new ATOM 0 HA HIS A 17 18.500 -4.227 1.865 1.00 0.00 H new ATOM 0 HB2 HIS A 17 17.421 -6.347 0.041 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.479 -5.136 -0.656 1.00 0.00 H new ATOM 0 HD2 HIS A 17 21.131 -5.076 0.563 1.00 0.00 H new ATOM 0 HE1 HIS A 17 20.783 -9.017 2.091 1.00 0.00 H new ATOM 0 HE2 HIS A 17 22.392 -7.107 1.600 1.00 0.00 H new ATOM 311 N VAL A 18 17.773 -2.902 -0.486 1.00 0.00 N ATOM 312 CA VAL A 18 17.285 -1.760 -1.259 1.00 0.00 C ATOM 313 C VAL A 18 16.343 -2.182 -2.385 1.00 0.00 C ATOM 314 O VAL A 18 16.569 -3.183 -3.065 1.00 0.00 O ATOM 315 CB VAL A 18 18.447 -0.941 -1.856 1.00 0.00 C ATOM 316 CG1 VAL A 18 19.281 -1.798 -2.796 1.00 0.00 C ATOM 317 CG2 VAL A 18 17.919 0.295 -2.572 1.00 0.00 C ATOM 0 H VAL A 18 18.688 -3.249 -0.773 1.00 0.00 H new ATOM 0 HA VAL A 18 16.730 -1.139 -0.556 1.00 0.00 H new ATOM 0 HB VAL A 18 19.090 -0.611 -1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 18 20.095 -1.201 -3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 18 19.693 -2.645 -2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 18 18.653 -2.163 -3.609 1.00 0.00 H new ATOM 0 HG21 VAL A 18 18.754 0.860 -2.986 1.00 0.00 H new ATOM 0 HG22 VAL A 18 17.251 -0.009 -3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 18 17.374 0.920 -1.865 1.00 0.00 H new ATOM 327 N GLY A 19 15.284 -1.396 -2.565 1.00 0.00 N ATOM 328 CA GLY A 19 14.302 -1.656 -3.604 1.00 0.00 C ATOM 329 C GLY A 19 13.755 -3.067 -3.585 1.00 0.00 C ATOM 330 O GLY A 19 13.265 -3.553 -4.603 1.00 0.00 O ATOM 0 H GLY A 19 15.087 -0.570 -1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.475 -0.954 -3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.756 -1.465 -4.576 1.00 0.00 H new ATOM 334 N LYS A 20 13.843 -3.734 -2.439 1.00 0.00 N ATOM 335 CA LYS A 20 13.324 -5.087 -2.319 1.00 0.00 C ATOM 336 C LYS A 20 11.808 -5.062 -2.450 1.00 0.00 C ATOM 337 O LYS A 20 11.083 -5.074 -1.455 1.00 0.00 O ATOM 338 CB LYS A 20 13.737 -5.706 -0.984 1.00 0.00 C ATOM 339 CG LYS A 20 14.195 -7.144 -1.100 1.00 0.00 C ATOM 340 CD LYS A 20 15.628 -7.195 -1.576 1.00 0.00 C ATOM 341 CE LYS A 20 16.279 -8.532 -1.263 1.00 0.00 C ATOM 342 NZ LYS A 20 15.564 -9.665 -1.915 1.00 0.00 N ATOM 0 H LYS A 20 14.265 -3.362 -1.588 1.00 0.00 H new ATOM 0 HA LYS A 20 13.742 -5.701 -3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.541 -5.111 -0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.895 -5.656 -0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.106 -7.641 -0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.553 -7.683 -1.796 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.661 -7.018 -2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.197 -6.394 -1.103 1.00 0.00 H new ATOM 0 HE2 LYS A 20 17.317 -8.517 -1.597 1.00 0.00 H new ATOM 0 HE3 LYS A 20 16.293 -8.685 -0.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.096 -10.545 -1.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.613 -9.758 -1.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.483 -9.483 -2.936 1.00 0.00 H new ATOM 356 N THR A 21 11.342 -5.010 -3.694 1.00 0.00 N ATOM 357 CA THR A 21 9.917 -4.952 -3.985 1.00 0.00 C ATOM 358 C THR A 21 9.147 -6.055 -3.271 1.00 0.00 C ATOM 359 O THR A 21 9.069 -7.185 -3.753 1.00 0.00 O ATOM 360 CB THR A 21 9.649 -5.061 -5.496 1.00 0.00 C ATOM 361 OG1 THR A 21 10.627 -4.309 -6.225 1.00 0.00 O ATOM 362 CG2 THR A 21 8.256 -4.547 -5.832 1.00 0.00 C ATOM 0 H THR A 21 11.938 -5.007 -4.522 1.00 0.00 H new ATOM 0 HA THR A 21 9.570 -3.985 -3.622 1.00 0.00 H new ATOM 0 HB THR A 21 9.715 -6.111 -5.780 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.395 -4.306 -7.177 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.086 -4.632 -6.905 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.512 -5.138 -5.298 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.172 -3.502 -5.533 1.00 0.00 H new ATOM 370 N THR A 22 8.585 -5.719 -2.117 1.00 0.00 N ATOM 371 CA THR A 22 7.805 -6.674 -1.348 1.00 0.00 C ATOM 372 C THR A 22 6.339 -6.581 -1.739 1.00 0.00 C ATOM 373 O THR A 22 5.629 -5.662 -1.327 1.00 0.00 O ATOM 374 CB THR A 22 7.957 -6.447 0.171 1.00 0.00 C ATOM 375 OG1 THR A 22 9.318 -6.660 0.562 1.00 0.00 O ATOM 376 CG2 THR A 22 7.047 -7.378 0.960 1.00 0.00 C ATOM 0 H THR A 22 8.656 -4.793 -1.695 1.00 0.00 H new ATOM 0 HA THR A 22 8.184 -7.670 -1.576 1.00 0.00 H new ATOM 0 HB THR A 22 7.669 -5.419 0.390 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.909 -6.115 0.001 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.176 -7.195 2.027 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.009 -7.193 0.683 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.303 -8.413 0.736 1.00 0.00 H new ATOM 384 N GLU A 23 5.909 -7.532 -2.561 1.00 0.00 N ATOM 385 CA GLU A 23 4.545 -7.589 -3.044 1.00 0.00 C ATOM 386 C GLU A 23 3.636 -8.300 -2.055 1.00 0.00 C ATOM 387 O GLU A 23 3.942 -9.400 -1.593 1.00 0.00 O ATOM 388 CB GLU A 23 4.522 -8.316 -4.382 1.00 0.00 C ATOM 389 CG GLU A 23 3.159 -8.321 -5.040 1.00 0.00 C ATOM 390 CD GLU A 23 3.215 -8.736 -6.496 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.331 -9.951 -6.763 1.00 0.00 O ATOM 392 OE2 GLU A 23 3.145 -7.848 -7.371 1.00 0.00 O ATOM 0 H GLU A 23 6.503 -8.285 -2.909 1.00 0.00 H new ATOM 0 HA GLU A 23 4.175 -6.570 -3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.240 -7.847 -5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.849 -9.345 -4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.501 -9.000 -4.498 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.721 -7.326 -4.967 1.00 0.00 H new ATOM 399 N ILE A 24 2.518 -7.664 -1.734 1.00 0.00 N ATOM 400 CA ILE A 24 1.562 -8.236 -0.803 1.00 0.00 C ATOM 401 C ILE A 24 0.128 -8.006 -1.246 1.00 0.00 C ATOM 402 O ILE A 24 -0.432 -6.932 -1.036 1.00 0.00 O ATOM 403 CB ILE A 24 1.730 -7.643 0.600 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.173 -7.812 1.076 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.754 -8.295 1.570 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.424 -7.283 2.473 1.00 0.00 C ATOM 0 H ILE A 24 2.253 -6.752 -2.106 1.00 0.00 H new ATOM 0 HA ILE A 24 1.764 -9.307 -0.783 1.00 0.00 H new ATOM 0 HB ILE A 24 1.507 -6.577 0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.434 -8.870 1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.837 -7.301 0.379 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.885 -7.864 2.563 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.267 -8.121 1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.945 -9.367 1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.470 -7.439 2.739 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.197 -6.217 2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.787 -7.811 3.182 1.00 0.00 H new ATOM 418 N HIS A 25 -0.456 -9.019 -1.866 1.00 0.00 N ATOM 419 CA HIS A 25 -1.837 -8.946 -2.302 1.00 0.00 C ATOM 420 C HIS A 25 -2.739 -9.207 -1.109 1.00 0.00 C ATOM 421 O HIS A 25 -2.859 -10.344 -0.649 1.00 0.00 O ATOM 422 CB HIS A 25 -2.121 -9.975 -3.391 1.00 0.00 C ATOM 423 CG HIS A 25 -0.944 -10.287 -4.262 1.00 0.00 C ATOM 424 ND1 HIS A 25 -0.405 -11.551 -4.370 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.209 -9.496 -5.079 1.00 0.00 C ATOM 426 CE1 HIS A 25 0.610 -11.525 -5.214 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.750 -10.290 -5.658 1.00 0.00 N ATOM 0 H HIS A 25 0.008 -9.902 -2.078 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.027 -7.955 -2.713 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.467 -10.897 -2.923 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.935 -9.610 -4.017 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.738 -12.378 -3.875 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.351 -8.438 -5.244 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.221 -12.370 -5.493 1.00 0.00 H new ATOM 436 N LEU A 26 -3.370 -8.160 -0.609 1.00 0.00 N ATOM 437 CA LEU A 26 -4.239 -8.289 0.549 1.00 0.00 C ATOM 438 C LEU A 26 -5.688 -8.374 0.106 1.00 0.00 C ATOM 439 O LEU A 26 -6.089 -7.730 -0.859 1.00 0.00 O ATOM 440 CB LEU A 26 -4.047 -7.103 1.492 1.00 0.00 C ATOM 441 CG LEU A 26 -2.612 -6.876 1.982 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.407 -5.419 2.369 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.291 -7.782 3.164 1.00 0.00 C ATOM 0 H LEU A 26 -3.298 -7.214 -0.984 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.978 -9.204 1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.387 -6.200 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.691 -7.243 2.360 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.934 -7.123 1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.383 -5.275 2.715 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.590 -4.783 1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.100 -5.154 3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.268 -7.602 3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.978 -7.569 3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.397 -8.824 2.863 1.00 0.00 H new ATOM 455 N LYS A 27 -6.469 -9.174 0.809 1.00 0.00 N ATOM 456 CA LYS A 27 -7.872 -9.341 0.473 1.00 0.00 C ATOM 457 C LYS A 27 -8.738 -8.389 1.282 1.00 0.00 C ATOM 458 O LYS A 27 -8.284 -7.793 2.259 1.00 0.00 O ATOM 459 CB LYS A 27 -8.311 -10.784 0.710 1.00 0.00 C ATOM 460 CG LYS A 27 -7.367 -11.814 0.105 1.00 0.00 C ATOM 461 CD LYS A 27 -6.189 -12.117 1.020 1.00 0.00 C ATOM 462 CE LYS A 27 -6.633 -12.822 2.293 1.00 0.00 C ATOM 463 NZ LYS A 27 -5.483 -13.137 3.185 1.00 0.00 N ATOM 0 H LYS A 27 -6.157 -9.717 1.614 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.997 -9.106 -0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.389 -10.960 1.783 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.307 -10.926 0.291 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.916 -12.734 -0.096 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.997 -11.448 -0.853 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.468 -12.740 0.491 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.679 -11.188 1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.345 -12.192 2.827 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.155 -13.744 2.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.829 -13.617 4.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.816 -13.759 2.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.000 -12.256 3.453 1.00 0.00 H new ATOM 477 N GLY A 28 -9.988 -8.256 0.868 1.00 0.00 N ATOM 478 CA GLY A 28 -10.908 -7.369 1.551 1.00 0.00 C ATOM 479 C GLY A 28 -12.233 -7.255 0.826 1.00 0.00 C ATOM 480 O GLY A 28 -12.778 -8.254 0.357 1.00 0.00 O ATOM 0 H GLY A 28 -10.384 -8.749 0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.079 -7.735 2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.458 -6.380 1.641 1.00 0.00 H new ATOM 484 N ASN A 29 -12.747 -6.032 0.730 1.00 0.00 N ATOM 485 CA ASN A 29 -14.017 -5.786 0.055 1.00 0.00 C ATOM 486 C ASN A 29 -14.331 -4.289 0.027 1.00 0.00 C ATOM 487 O ASN A 29 -14.813 -3.735 1.014 1.00 0.00 O ATOM 488 CB ASN A 29 -15.147 -6.547 0.752 1.00 0.00 C ATOM 489 CG ASN A 29 -16.433 -6.539 -0.049 1.00 0.00 C ATOM 490 OD1 ASN A 29 -16.415 -6.417 -1.273 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.561 -6.678 0.639 1.00 0.00 N ATOM 0 H ASN A 29 -12.303 -5.196 1.111 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.933 -6.143 -0.972 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.835 -7.578 0.922 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.330 -6.103 1.731 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.457 -6.686 0.152 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.531 -6.776 1.654 1.00 0.00 H new ATOM 547 N TYR A 34 -13.984 -0.067 5.225 1.00 0.00 N ATOM 548 CA TYR A 34 -12.565 0.065 5.535 1.00 0.00 C ATOM 549 C TYR A 34 -11.708 -0.165 4.292 1.00 0.00 C ATOM 550 O TYR A 34 -12.202 -0.604 3.253 1.00 0.00 O ATOM 551 CB TYR A 34 -12.161 -0.917 6.637 1.00 0.00 C ATOM 552 CG TYR A 34 -12.791 -0.623 7.980 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.066 -1.085 8.284 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.111 0.113 8.947 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.647 -0.822 9.511 1.00 0.00 C ATOM 556 CE2 TYR A 34 -12.688 0.379 10.175 1.00 0.00 C ATOM 557 CZ TYR A 34 -13.953 -0.090 10.451 1.00 0.00 C ATOM 558 OH TYR A 34 -14.529 0.172 11.674 1.00 0.00 O ATOM 0 HA TYR A 34 -12.395 1.082 5.888 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.437 -1.926 6.330 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.076 -0.902 6.744 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.612 -1.659 7.550 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.118 0.481 8.735 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.639 -1.188 9.732 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.149 0.952 10.915 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.829 0.246 12.356 1.00 0.00 H new ATOM 568 N MET A 35 -10.421 0.136 4.415 1.00 0.00 N ATOM 569 CA MET A 35 -9.479 -0.012 3.336 1.00 0.00 C ATOM 570 C MET A 35 -8.136 -0.465 3.873 1.00 0.00 C ATOM 571 O MET A 35 -7.748 -0.108 4.980 1.00 0.00 O ATOM 572 CB MET A 35 -9.296 1.322 2.625 1.00 0.00 C ATOM 573 CG MET A 35 -7.999 1.399 1.852 1.00 0.00 C ATOM 574 SD MET A 35 -7.705 3.027 1.130 1.00 0.00 S ATOM 575 CE MET A 35 -9.105 3.169 0.022 1.00 0.00 C ATOM 0 H MET A 35 -10.008 0.492 5.277 1.00 0.00 H new ATOM 0 HA MET A 35 -9.864 -0.756 2.639 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.131 1.483 1.943 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.325 2.127 3.359 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.172 1.147 2.515 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.010 0.652 1.058 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.515 4.177 0.081 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.782 2.967 -0.999 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.871 2.449 0.309 1.00 0.00 H new ATOM 585 N TRP A 36 -7.422 -1.221 3.068 1.00 0.00 N ATOM 586 CA TRP A 36 -6.108 -1.705 3.446 1.00 0.00 C ATOM 587 C TRP A 36 -5.034 -0.942 2.685 1.00 0.00 C ATOM 588 O TRP A 36 -4.482 -1.437 1.704 1.00 0.00 O ATOM 589 CB TRP A 36 -5.981 -3.193 3.160 1.00 0.00 C ATOM 590 CG TRP A 36 -6.139 -4.058 4.367 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.040 -5.068 4.544 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.372 -3.988 5.567 1.00 0.00 C ATOM 593 NE1 TRP A 36 -6.878 -5.630 5.788 1.00 0.00 N ATOM 594 CE2 TRP A 36 -5.860 -4.982 6.434 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.319 -3.177 5.992 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.329 -5.186 7.702 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.792 -3.381 7.250 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.299 -4.378 8.092 1.00 0.00 C ATOM 0 H TRP A 36 -7.730 -1.516 2.142 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.977 -1.543 4.516 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.731 -3.476 2.422 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.006 -3.385 2.713 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.772 -5.380 3.814 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.426 -6.402 6.167 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.924 -2.405 5.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.716 -5.955 8.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.975 -2.762 7.591 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.866 -4.511 9.072 1.00 0.00 H new ATOM 609 N THR A 37 -4.747 0.268 3.141 1.00 0.00 N ATOM 610 CA THR A 37 -3.749 1.105 2.489 1.00 0.00 C ATOM 611 C THR A 37 -2.695 1.559 3.501 1.00 0.00 C ATOM 612 O THR A 37 -2.601 0.991 4.587 1.00 0.00 O ATOM 613 CB THR A 37 -4.405 2.330 1.827 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.466 2.991 0.975 1.00 0.00 O ATOM 615 CG2 THR A 37 -4.908 3.299 2.881 1.00 0.00 C ATOM 0 H THR A 37 -5.189 0.692 3.957 1.00 0.00 H new ATOM 0 HA THR A 37 -3.266 0.512 1.712 1.00 0.00 H new ATOM 0 HB THR A 37 -5.251 1.987 1.232 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.724 2.859 0.039 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.369 4.159 2.395 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.645 2.801 3.511 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.072 3.634 3.495 1.00 0.00 H new ATOM 623 N ARG A 38 -1.905 2.578 3.158 1.00 0.00 N ATOM 624 CA ARG A 38 -0.878 3.070 4.073 1.00 0.00 C ATOM 625 C ARG A 38 -1.446 4.146 4.997 1.00 0.00 C ATOM 626 O ARG A 38 -2.439 4.797 4.670 1.00 0.00 O ATOM 627 CB ARG A 38 0.329 3.608 3.299 1.00 0.00 C ATOM 628 CG ARG A 38 1.438 2.600 3.115 1.00 0.00 C ATOM 629 CD ARG A 38 2.469 3.084 2.110 1.00 0.00 C ATOM 630 NE ARG A 38 2.881 4.467 2.325 1.00 0.00 N ATOM 631 CZ ARG A 38 4.077 4.806 2.802 1.00 0.00 C ATOM 632 NH1 ARG A 38 4.932 3.867 3.185 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.419 6.083 2.901 1.00 0.00 N ATOM 0 H ARG A 38 -1.956 3.071 2.267 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.544 2.233 4.687 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.004 3.950 2.319 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.725 4.478 3.823 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.923 2.412 4.073 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.018 1.652 2.779 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.346 2.439 2.161 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.060 2.986 1.105 1.00 0.00 H new ATOM 0 HE ARG A 38 2.220 5.211 2.099 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.674 2.883 3.114 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.848 4.129 3.550 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.765 6.810 2.611 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.336 6.338 3.267 1.00 0.00 H new ATOM 647 N VAL A 39 -0.810 4.327 6.152 1.00 0.00 N ATOM 648 CA VAL A 39 -1.259 5.310 7.134 1.00 0.00 C ATOM 649 C VAL A 39 -0.927 6.733 6.697 1.00 0.00 C ATOM 650 O VAL A 39 0.210 7.032 6.331 1.00 0.00 O ATOM 651 CB VAL A 39 -0.623 5.053 8.516 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.159 6.038 9.544 1.00 0.00 C ATOM 653 CG2 VAL A 39 -0.865 3.619 8.965 1.00 0.00 C ATOM 0 H VAL A 39 0.020 3.804 6.431 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.341 5.202 7.207 1.00 0.00 H new ATOM 0 HB VAL A 39 0.453 5.202 8.429 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.698 5.840 10.512 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.923 7.055 9.231 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.240 5.925 9.627 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.407 3.461 9.942 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.937 3.435 9.033 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.424 2.932 8.243 1.00 0.00 H new ATOM 663 N GLY A 40 -1.925 7.610 6.749 1.00 0.00 N ATOM 664 CA GLY A 40 -1.723 8.994 6.361 1.00 0.00 C ATOM 665 C GLY A 40 -1.826 9.198 4.862 1.00 0.00 C ATOM 666 O GLY A 40 -1.465 10.256 4.346 1.00 0.00 O ATOM 0 H GLY A 40 -2.872 7.386 7.054 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.462 9.620 6.861 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.742 9.324 6.703 1.00 0.00 H new ATOM 670 N PHE A 41 -2.322 8.182 4.165 1.00 0.00 N ATOM 671 CA PHE A 41 -2.472 8.247 2.716 1.00 0.00 C ATOM 672 C PHE A 41 -3.828 7.708 2.295 1.00 0.00 C ATOM 673 O PHE A 41 -4.165 7.690 1.112 1.00 0.00 O ATOM 674 CB PHE A 41 -1.356 7.452 2.046 1.00 0.00 C ATOM 675 CG PHE A 41 0.005 7.871 2.507 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.570 9.054 2.062 1.00 0.00 C ATOM 677 CD2 PHE A 41 0.710 7.090 3.402 1.00 0.00 C ATOM 678 CE1 PHE A 41 1.818 9.450 2.502 1.00 0.00 C ATOM 679 CE2 PHE A 41 1.959 7.476 3.845 1.00 0.00 C ATOM 680 CZ PHE A 41 2.515 8.659 3.395 1.00 0.00 C ATOM 0 H PHE A 41 -2.628 7.302 4.581 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.406 9.289 2.402 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.495 6.391 2.254 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.424 7.577 0.965 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.029 9.674 1.363 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.279 6.167 3.759 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.248 10.376 2.149 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.501 6.855 4.542 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.492 8.964 3.741 1.00 0.00 H new ATOM 690 N VAL A 42 -4.596 7.259 3.278 1.00 0.00 N ATOM 691 CA VAL A 42 -5.927 6.724 3.031 1.00 0.00 C ATOM 692 C VAL A 42 -6.779 7.717 2.247 1.00 0.00 C ATOM 693 O VAL A 42 -7.060 8.818 2.720 1.00 0.00 O ATOM 694 CB VAL A 42 -6.636 6.374 4.349 1.00 0.00 C ATOM 695 CG1 VAL A 42 -7.924 5.611 4.074 1.00 0.00 C ATOM 696 CG2 VAL A 42 -5.703 5.580 5.251 1.00 0.00 C ATOM 0 H VAL A 42 -4.318 7.255 4.259 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.806 5.815 2.441 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.901 7.297 4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.413 5.371 5.018 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.588 6.226 3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.694 4.689 3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.216 5.338 6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.408 4.659 4.749 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.816 6.174 5.470 1.00 0.00 H new ATOM 706 N GLY A 43 -7.185 7.317 1.047 1.00 0.00 N ATOM 707 CA GLY A 43 -7.994 8.183 0.209 1.00 0.00 C ATOM 708 C GLY A 43 -7.162 8.887 -0.845 1.00 0.00 C ATOM 709 O GLY A 43 -7.658 9.216 -1.923 1.00 0.00 O ATOM 0 H GLY A 43 -6.968 6.408 0.639 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.773 7.595 -0.276 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.496 8.925 0.831 1.00 0.00 H new ATOM 763 N LEU A 47 0.698 6.446 -1.917 1.00 0.00 N ATOM 764 CA LEU A 47 1.013 6.264 -0.509 1.00 0.00 C ATOM 765 C LEU A 47 2.486 6.572 -0.264 1.00 0.00 C ATOM 766 O LEU A 47 2.836 7.344 0.627 1.00 0.00 O ATOM 767 CB LEU A 47 0.696 4.832 -0.082 1.00 0.00 C ATOM 768 CG LEU A 47 -0.553 4.222 -0.725 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.705 2.763 -0.317 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.795 5.014 -0.350 1.00 0.00 C ATOM 0 HA LEU A 47 0.405 6.948 0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.552 4.201 -0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.575 4.811 1.001 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.436 4.267 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.598 2.346 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.171 2.201 -0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.797 2.696 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.670 4.562 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.918 5.006 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.689 6.042 -0.696 1.00 0.00 H new ATOM 782 N SER A 48 3.337 5.945 -1.068 1.00 0.00 N ATOM 783 CA SER A 48 4.779 6.138 -0.994 1.00 0.00 C ATOM 784 C SER A 48 5.156 7.619 -1.050 1.00 0.00 C ATOM 785 O SER A 48 4.292 8.488 -1.164 1.00 0.00 O ATOM 786 CB SER A 48 5.441 5.404 -2.155 1.00 0.00 C ATOM 787 OG SER A 48 5.202 6.070 -3.383 1.00 0.00 O ATOM 0 H SER A 48 3.045 5.287 -1.791 1.00 0.00 H new ATOM 0 HA SER A 48 5.126 5.740 -0.041 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.514 5.333 -1.979 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.059 4.385 -2.210 1.00 0.00 H new ATOM 0 HG SER A 48 5.638 5.580 -4.111 1.00 0.00 H new ATOM 793 N ASP A 49 6.460 7.895 -0.988 1.00 0.00 N ATOM 794 CA ASP A 49 6.955 9.268 -1.032 1.00 0.00 C ATOM 795 C ASP A 49 8.397 9.321 -1.524 1.00 0.00 C ATOM 796 O ASP A 49 8.652 9.417 -2.726 1.00 0.00 O ATOM 797 CB ASP A 49 6.861 9.922 0.349 1.00 0.00 C ATOM 798 CG ASP A 49 5.437 10.271 0.735 1.00 0.00 C ATOM 799 OD1 ASP A 49 4.984 11.383 0.390 1.00 0.00 O ATOM 800 OD2 ASP A 49 4.775 9.433 1.381 1.00 0.00 O ATOM 0 H ASP A 49 7.189 7.186 -0.907 1.00 0.00 H new ATOM 0 HA ASP A 49 6.328 9.818 -1.733 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.281 9.247 1.095 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.468 10.827 0.360 1.00 0.00 H new ATOM 805 N GLU A 50 9.336 9.258 -0.586 1.00 0.00 N ATOM 806 CA GLU A 50 10.753 9.310 -0.911 1.00 0.00 C ATOM 807 C GLU A 50 11.515 8.175 -0.236 1.00 0.00 C ATOM 808 O GLU A 50 12.539 7.712 -0.740 1.00 0.00 O ATOM 809 CB GLU A 50 11.322 10.654 -0.465 1.00 0.00 C ATOM 810 CG GLU A 50 11.297 10.853 1.042 1.00 0.00 C ATOM 811 CD GLU A 50 11.884 12.184 1.465 1.00 0.00 C ATOM 812 OE1 GLU A 50 13.109 12.245 1.701 1.00 0.00 O ATOM 813 OE2 GLU A 50 11.119 13.167 1.562 1.00 0.00 O ATOM 0 H GLU A 50 9.137 9.170 0.411 1.00 0.00 H new ATOM 0 HA GLU A 50 10.867 9.197 -1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.350 10.740 -0.818 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.755 11.455 -0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.269 10.785 1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.853 10.047 1.520 1.00 0.00 H new ATOM 820 N ILE A 51 11.009 7.735 0.910 1.00 0.00 N ATOM 821 CA ILE A 51 11.635 6.660 1.667 1.00 0.00 C ATOM 822 C ILE A 51 11.348 5.303 1.042 1.00 0.00 C ATOM 823 O ILE A 51 12.225 4.686 0.442 1.00 0.00 O ATOM 824 CB ILE A 51 11.132 6.651 3.119 1.00 0.00 C ATOM 825 CG1 ILE A 51 11.183 8.061 3.702 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.949 5.685 3.964 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.588 8.590 3.902 1.00 0.00 C ATOM 0 H ILE A 51 10.162 8.110 1.337 1.00 0.00 H new ATOM 0 HA ILE A 51 12.710 6.841 1.651 1.00 0.00 H new ATOM 0 HB ILE A 51 10.096 6.311 3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.641 8.737 3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.663 8.067 4.660 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.577 5.694 4.989 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.861 4.679 3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.996 5.990 3.956 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.542 9.596 4.319 1.00 0.00 H new ATOM 0 HD12 ILE A 51 13.128 7.937 4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.106 8.618 2.943 1.00 0.00 H new ATOM 839 N LEU A 52 10.119 4.835 1.210 1.00 0.00 N ATOM 840 CA LEU A 52 9.706 3.551 0.657 1.00 0.00 C ATOM 841 C LEU A 52 8.838 3.729 -0.583 1.00 0.00 C ATOM 842 O LEU A 52 7.744 4.284 -0.502 1.00 0.00 O ATOM 843 CB LEU A 52 8.927 2.750 1.702 1.00 0.00 C ATOM 844 CG LEU A 52 9.777 1.867 2.612 1.00 0.00 C ATOM 845 CD1 LEU A 52 8.972 1.414 3.817 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.308 0.666 1.844 1.00 0.00 C ATOM 0 H LEU A 52 9.389 5.326 1.726 1.00 0.00 H new ATOM 0 HA LEU A 52 10.610 3.012 0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.362 3.446 2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.201 2.121 1.187 1.00 0.00 H new ATOM 0 HG LEU A 52 10.626 2.453 2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.594 0.786 4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.639 2.286 4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.105 0.845 3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.912 0.047 2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.472 0.080 1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.921 1.009 1.011 1.00 0.00 H new ATOM 858 N GLU A 53 9.338 3.272 -1.730 1.00 0.00 N ATOM 859 CA GLU A 53 8.582 3.345 -2.974 1.00 0.00 C ATOM 860 C GLU A 53 7.428 2.353 -2.932 1.00 0.00 C ATOM 861 O GLU A 53 7.430 1.345 -3.640 1.00 0.00 O ATOM 862 CB GLU A 53 9.487 3.044 -4.168 1.00 0.00 C ATOM 863 CG GLU A 53 9.880 4.276 -4.954 1.00 0.00 C ATOM 864 CD GLU A 53 9.069 4.446 -6.223 1.00 0.00 C ATOM 865 OE1 GLU A 53 9.493 3.919 -7.273 1.00 0.00 O ATOM 866 OE2 GLU A 53 8.011 5.106 -6.168 1.00 0.00 O ATOM 0 H GLU A 53 10.261 2.849 -1.821 1.00 0.00 H new ATOM 0 HA GLU A 53 8.186 4.354 -3.086 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.389 2.546 -3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.978 2.346 -4.833 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.753 5.158 -4.326 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.938 4.216 -5.210 1.00 0.00 H new ATOM 873 N VAL A 54 6.452 2.643 -2.085 1.00 0.00 N ATOM 874 CA VAL A 54 5.297 1.779 -1.922 1.00 0.00 C ATOM 875 C VAL A 54 4.318 1.909 -3.078 1.00 0.00 C ATOM 876 O VAL A 54 3.393 2.720 -3.033 1.00 0.00 O ATOM 877 CB VAL A 54 4.547 2.079 -0.616 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.542 0.977 -0.328 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.521 2.254 0.539 1.00 0.00 C ATOM 0 H VAL A 54 6.439 3.476 -1.497 1.00 0.00 H new ATOM 0 HA VAL A 54 5.688 0.762 -1.896 1.00 0.00 H new ATOM 0 HB VAL A 54 4.003 3.017 -0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.015 1.199 0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.825 0.915 -1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.064 0.025 -0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.967 2.466 1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.100 1.339 0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.196 3.083 0.324 1.00 0.00 H new ATOM 889 N VAL A 55 4.529 1.112 -4.114 1.00 0.00 N ATOM 890 CA VAL A 55 3.640 1.115 -5.260 1.00 0.00 C ATOM 891 C VAL A 55 2.485 0.167 -4.992 1.00 0.00 C ATOM 892 O VAL A 55 2.550 -1.023 -5.300 1.00 0.00 O ATOM 893 CB VAL A 55 4.358 0.690 -6.546 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.423 0.830 -7.737 1.00 0.00 C ATOM 895 CG2 VAL A 55 5.625 1.508 -6.748 1.00 0.00 C ATOM 0 H VAL A 55 5.308 0.457 -4.183 1.00 0.00 H new ATOM 0 HA VAL A 55 3.279 2.133 -5.404 1.00 0.00 H new ATOM 0 HB VAL A 55 4.647 -0.357 -6.457 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.943 0.526 -8.645 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.549 0.196 -7.590 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.106 1.869 -7.831 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.120 1.191 -7.666 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.368 2.565 -6.820 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.296 1.355 -5.903 1.00 0.00 H new ATOM 905 N CYS A 56 1.431 0.709 -4.409 1.00 0.00 N ATOM 906 CA CYS A 56 0.262 -0.081 -4.053 1.00 0.00 C ATOM 907 C CYS A 56 -0.815 -0.018 -5.126 1.00 0.00 C ATOM 908 O CYS A 56 -1.012 1.012 -5.771 1.00 0.00 O ATOM 909 CB CYS A 56 -0.311 0.396 -2.718 1.00 0.00 C ATOM 910 SG CYS A 56 -1.773 -0.515 -2.173 1.00 0.00 S ATOM 0 H CYS A 56 1.359 1.698 -4.170 1.00 0.00 H new ATOM 0 HA CYS A 56 0.585 -1.118 -3.964 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.461 0.313 -1.953 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.565 1.453 -2.801 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.181 -0.039 -1.034 1.00 0.00 H new ATOM 916 N LYS A 57 -1.508 -1.136 -5.305 1.00 0.00 N ATOM 917 CA LYS A 57 -2.580 -1.229 -6.279 1.00 0.00 C ATOM 918 C LYS A 57 -3.818 -1.827 -5.630 1.00 0.00 C ATOM 919 O LYS A 57 -3.986 -3.045 -5.577 1.00 0.00 O ATOM 920 CB LYS A 57 -2.159 -2.083 -7.464 1.00 0.00 C ATOM 921 CG LYS A 57 -0.758 -1.781 -7.969 1.00 0.00 C ATOM 922 CD LYS A 57 -0.397 -2.651 -9.161 1.00 0.00 C ATOM 923 CE LYS A 57 0.999 -2.338 -9.676 1.00 0.00 C ATOM 924 NZ LYS A 57 1.360 -3.178 -10.851 1.00 0.00 N ATOM 0 H LYS A 57 -1.342 -1.996 -4.782 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.807 -0.225 -6.638 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.215 -3.134 -7.181 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.869 -1.934 -8.278 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.690 -0.730 -8.250 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.038 -1.944 -7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.454 -3.702 -8.877 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.123 -2.497 -9.959 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.056 -1.285 -9.952 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.724 -2.499 -8.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.319 -2.933 -11.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.330 -4.182 -10.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.683 -3.006 -11.622 1.00 0.00 H new ATOM 938 N TYR A 58 -4.671 -0.953 -5.136 1.00 0.00 N ATOM 939 CA TYR A 58 -5.904 -1.356 -4.471 1.00 0.00 C ATOM 940 C TYR A 58 -6.761 -2.209 -5.411 1.00 0.00 C ATOM 941 O TYR A 58 -7.636 -2.962 -4.989 1.00 0.00 O ATOM 942 CB TYR A 58 -6.646 -0.093 -3.995 1.00 0.00 C ATOM 943 CG TYR A 58 -7.909 -0.344 -3.210 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.998 -0.967 -3.803 1.00 0.00 C ATOM 945 CD2 TYR A 58 -8.021 0.062 -1.881 1.00 0.00 C ATOM 946 CE1 TYR A 58 -10.163 -1.195 -3.105 1.00 0.00 C ATOM 947 CE2 TYR A 58 -9.191 -0.157 -1.175 1.00 0.00 C ATOM 948 CZ TYR A 58 -10.256 -0.788 -1.789 1.00 0.00 C ATOM 949 OH TYR A 58 -11.418 -1.005 -1.085 1.00 0.00 O ATOM 0 H TYR A 58 -4.534 0.057 -5.182 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.680 -1.973 -3.601 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.967 0.497 -3.380 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.894 0.513 -4.867 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.930 -1.280 -4.834 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.188 0.551 -1.398 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.997 -1.688 -3.583 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.271 0.164 -0.147 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.317 -0.660 -0.173 1.00 0.00 H new ATOM 959 N THR A 59 -6.437 -2.107 -6.680 1.00 0.00 N ATOM 960 CA THR A 59 -7.122 -2.821 -7.755 1.00 0.00 C ATOM 961 C THR A 59 -8.598 -3.042 -7.443 1.00 0.00 C ATOM 962 O THR A 59 -9.004 -4.134 -7.056 1.00 0.00 O ATOM 963 CB THR A 59 -6.442 -4.172 -8.039 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.041 -3.976 -8.264 1.00 0.00 O ATOM 965 CG2 THR A 59 -7.058 -4.850 -9.252 1.00 0.00 C ATOM 0 H THR A 59 -5.675 -1.515 -7.010 1.00 0.00 H new ATOM 0 HA THR A 59 -7.055 -2.193 -8.643 1.00 0.00 H new ATOM 0 HB THR A 59 -6.590 -4.813 -7.170 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.608 -3.715 -7.424 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.558 -5.802 -9.429 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.119 -5.025 -9.072 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.939 -4.210 -10.126 1.00 0.00 H new ATOM 973 N PRO A 60 -9.413 -1.990 -7.616 1.00 0.00 N ATOM 974 CA PRO A 60 -10.841 -2.012 -7.352 1.00 0.00 C ATOM 975 C PRO A 60 -11.685 -2.126 -8.614 1.00 0.00 C ATOM 976 O PRO A 60 -12.911 -2.026 -8.564 1.00 0.00 O ATOM 977 CB PRO A 60 -11.027 -0.636 -6.731 1.00 0.00 C ATOM 978 CG PRO A 60 -10.070 0.240 -7.487 1.00 0.00 C ATOM 979 CD PRO A 60 -9.005 -0.660 -8.068 1.00 0.00 C ATOM 0 HA PRO A 60 -11.150 -2.863 -6.745 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.054 -0.287 -6.836 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.801 -0.646 -5.665 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.588 0.783 -8.277 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.626 0.985 -6.826 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.972 -0.596 -9.156 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.012 -0.397 -7.703 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.467 -5.318 -4.058 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.492 -5.831 -3.113 1.00 0.00 C ATOM 1137 C ILE A 73 -6.494 -4.749 -2.759 1.00 0.00 C ATOM 1138 O ILE A 73 -6.817 -3.566 -2.804 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.729 -7.078 -3.609 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -6.056 -6.837 -4.952 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.632 -8.292 -3.668 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.875 -7.756 -5.171 1.00 0.00 C ATOM 0 HA ILE A 73 -8.063 -6.140 -2.237 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.943 -7.277 -2.881 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.782 -6.984 -5.752 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.723 -5.801 -5.009 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.063 -9.152 -4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.026 -8.501 -2.673 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.458 -8.098 -4.352 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.427 -7.547 -6.142 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.136 -7.591 -4.387 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.210 -8.793 -5.141 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.284 -5.148 -2.389 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.265 -4.193 -2.010 1.00 0.00 C ATOM 1156 C TYR A 74 -2.874 -4.729 -2.333 1.00 0.00 C ATOM 1157 O TYR A 74 -2.201 -5.288 -1.467 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.399 -3.883 -0.515 1.00 0.00 C ATOM 1159 CG TYR A 74 -5.842 -3.862 -0.044 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.482 -5.030 0.362 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -6.571 -2.682 -0.028 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -7.800 -5.020 0.772 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -7.893 -2.668 0.380 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.502 -3.837 0.778 1.00 0.00 C ATOM 1165 OH TYR A 74 -9.817 -3.821 1.183 1.00 0.00 O ATOM 0 H TYR A 74 -4.990 -6.124 -2.345 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.402 -3.274 -2.580 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.846 -4.628 0.057 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.940 -2.917 -0.307 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.936 -5.962 0.356 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.100 -1.761 -0.338 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.278 -5.936 1.086 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.447 -1.741 0.386 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.165 -2.906 1.129 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.464 -4.581 -3.595 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.146 -5.037 -4.034 1.00 0.00 C ATOM 1177 C VAL A 75 -0.086 -4.026 -3.636 1.00 0.00 C ATOM 1178 O VAL A 75 0.201 -3.088 -4.378 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.083 -5.249 -5.561 1.00 0.00 C ATOM 1180 CG1 VAL A 75 0.328 -5.619 -5.995 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -2.072 -6.314 -5.996 1.00 0.00 C ATOM 0 H VAL A 75 -3.026 -4.149 -4.329 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.961 -5.995 -3.547 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.355 -4.311 -6.046 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.350 -5.764 -7.075 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.015 -4.817 -5.722 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.631 -6.541 -5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.011 -6.448 -7.076 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.835 -7.255 -5.500 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.082 -6.005 -5.725 1.00 0.00 H new ATOM 1191 N VAL A 76 0.498 -4.224 -2.466 1.00 0.00 N ATOM 1192 CA VAL A 76 1.507 -3.310 -1.958 1.00 0.00 C ATOM 1193 C VAL A 76 2.918 -3.704 -2.384 1.00 0.00 C ATOM 1194 O VAL A 76 3.394 -4.790 -2.056 1.00 0.00 O ATOM 1195 CB VAL A 76 1.450 -3.235 -0.422 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.425 -2.191 0.098 1.00 0.00 C ATOM 1197 CG2 VAL A 76 0.033 -2.936 0.046 1.00 0.00 C ATOM 0 H VAL A 76 0.291 -5.010 -1.850 1.00 0.00 H new ATOM 0 HA VAL A 76 1.282 -2.334 -2.388 1.00 0.00 H new ATOM 0 HB VAL A 76 1.743 -4.204 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.371 -2.152 1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.438 -2.456 -0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.167 -1.215 -0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.012 -2.887 1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.293 -1.981 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.637 -3.726 -0.294 1.00 0.00 H new ATOM 1207 N LEU A 77 3.572 -2.813 -3.129 1.00 0.00 N ATOM 1208 CA LEU A 77 4.944 -3.033 -3.574 1.00 0.00 C ATOM 1209 C LEU A 77 5.866 -2.072 -2.852 1.00 0.00 C ATOM 1210 O LEU A 77 6.045 -0.934 -3.277 1.00 0.00 O ATOM 1211 CB LEU A 77 5.077 -2.835 -5.083 1.00 0.00 C ATOM 1212 CG LEU A 77 4.383 -3.896 -5.936 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.546 -3.584 -7.415 1.00 0.00 C ATOM 1214 CD2 LEU A 77 4.937 -5.274 -5.615 1.00 0.00 C ATOM 0 H LEU A 77 3.169 -1.928 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 77 5.219 -4.062 -3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.671 -1.858 -5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.136 -2.819 -5.340 1.00 0.00 H new ATOM 0 HG LEU A 77 3.318 -3.888 -5.702 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.045 -4.351 -8.006 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.104 -2.612 -7.633 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.606 -3.566 -7.668 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.434 -6.021 -6.230 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.007 -5.294 -5.823 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.768 -5.498 -4.562 1.00 0.00 H new ATOM 1226 N VAL A 78 6.457 -2.531 -1.766 1.00 0.00 N ATOM 1227 CA VAL A 78 7.336 -1.679 -0.980 1.00 0.00 C ATOM 1228 C VAL A 78 8.782 -1.788 -1.453 1.00 0.00 C ATOM 1229 O VAL A 78 9.462 -2.780 -1.191 1.00 0.00 O ATOM 1230 CB VAL A 78 7.248 -2.007 0.523 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.951 -0.745 1.327 1.00 0.00 C ATOM 1232 CG2 VAL A 78 6.191 -3.067 0.788 1.00 0.00 C ATOM 0 H VAL A 78 6.348 -3.480 -1.408 1.00 0.00 H new ATOM 0 HA VAL A 78 6.998 -0.653 -1.127 1.00 0.00 H new ATOM 0 HB VAL A 78 8.212 -2.404 0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.892 -0.994 2.387 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.747 -0.017 1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.001 -0.321 1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.149 -3.280 1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.220 -2.704 0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.445 -3.978 0.246 1.00 0.00 H new ATOM 1242 N LYS A 79 9.235 -0.754 -2.160 1.00 0.00 N ATOM 1243 CA LYS A 79 10.597 -0.711 -2.685 1.00 0.00 C ATOM 1244 C LYS A 79 11.436 0.335 -1.952 1.00 0.00 C ATOM 1245 O LYS A 79 11.426 1.509 -2.318 1.00 0.00 O ATOM 1246 CB LYS A 79 10.576 -0.391 -4.180 1.00 0.00 C ATOM 1247 CG LYS A 79 10.407 -1.615 -5.064 1.00 0.00 C ATOM 1248 CD LYS A 79 10.523 -1.259 -6.539 1.00 0.00 C ATOM 1249 CE LYS A 79 9.385 -0.355 -6.989 1.00 0.00 C ATOM 1250 NZ LYS A 79 8.056 -0.996 -6.795 1.00 0.00 N ATOM 0 H LYS A 79 8.675 0.069 -2.383 1.00 0.00 H new ATOM 0 HA LYS A 79 11.048 -1.691 -2.528 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.763 0.307 -4.382 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.504 0.114 -4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.163 -2.357 -4.807 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.435 -2.071 -4.874 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.476 -0.762 -6.720 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.521 -2.171 -7.135 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.422 0.580 -6.430 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.516 -0.103 -8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.352 -0.526 -7.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.115 -2.002 -7.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.770 -0.908 -5.799 1.00 0.00 H new ATOM 1264 N PRO A 80 12.176 -0.074 -0.905 1.00 0.00 N ATOM 1265 CA PRO A 80 13.020 0.838 -0.132 1.00 0.00 C ATOM 1266 C PRO A 80 13.901 1.710 -1.017 1.00 0.00 C ATOM 1267 O PRO A 80 14.942 1.273 -1.507 1.00 0.00 O ATOM 1268 CB PRO A 80 13.877 -0.086 0.741 1.00 0.00 C ATOM 1269 CG PRO A 80 13.584 -1.480 0.284 1.00 0.00 C ATOM 1270 CD PRO A 80 12.242 -1.444 -0.385 1.00 0.00 C ATOM 0 HA PRO A 80 12.419 1.539 0.447 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.936 0.146 0.630 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.632 0.038 1.796 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.351 -1.829 -0.407 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.577 -2.170 1.128 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.167 -2.183 -1.182 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.434 -1.650 0.317 1.00 0.00 H new ATOM 1278 N ARG A 81 13.467 2.948 -1.215 1.00 0.00 N ATOM 1279 CA ARG A 81 14.200 3.904 -2.035 1.00 0.00 C ATOM 1280 C ARG A 81 15.551 4.235 -1.412 1.00 0.00 C ATOM 1281 O ARG A 81 16.527 4.492 -2.116 1.00 0.00 O ATOM 1282 CB ARG A 81 13.379 5.183 -2.202 1.00 0.00 C ATOM 1283 CG ARG A 81 12.930 5.440 -3.627 1.00 0.00 C ATOM 1284 CD ARG A 81 11.936 6.587 -3.693 1.00 0.00 C ATOM 1285 NE ARG A 81 11.548 6.896 -5.067 1.00 0.00 N ATOM 1286 CZ ARG A 81 10.969 8.036 -5.432 1.00 0.00 C ATOM 1287 NH1 ARG A 81 10.716 8.974 -4.530 1.00 0.00 N ATOM 1288 NH2 ARG A 81 10.645 8.239 -6.702 1.00 0.00 N ATOM 0 H ARG A 81 12.604 3.316 -0.815 1.00 0.00 H new ATOM 0 HA ARG A 81 14.374 3.453 -3.012 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.501 5.127 -1.559 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.971 6.031 -1.859 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.796 5.670 -4.248 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.475 4.538 -4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.048 6.331 -3.114 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.373 7.473 -3.232 1.00 0.00 H new ATOM 0 HE ARG A 81 11.732 6.198 -5.787 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.966 8.822 -3.553 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.272 9.847 -4.813 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.840 7.520 -7.399 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.201 9.114 -6.981 1.00 0.00 H new ATOM 1302 N LYS A 82 15.597 4.225 -0.084 1.00 0.00 N ATOM 1303 CA LYS A 82 16.823 4.528 0.643 1.00 0.00 C ATOM 1304 C LYS A 82 17.228 3.353 1.527 1.00 0.00 C ATOM 1305 O LYS A 82 16.598 2.295 1.493 1.00 0.00 O ATOM 1306 CB LYS A 82 16.629 5.785 1.494 1.00 0.00 C ATOM 1307 CG LYS A 82 16.019 6.948 0.727 1.00 0.00 C ATOM 1308 CD LYS A 82 15.826 8.165 1.615 1.00 0.00 C ATOM 1309 CE LYS A 82 15.126 9.292 0.871 1.00 0.00 C ATOM 1310 NZ LYS A 82 15.915 9.758 -0.302 1.00 0.00 N ATOM 0 H LYS A 82 14.797 4.010 0.511 1.00 0.00 H new ATOM 0 HA LYS A 82 17.620 4.706 -0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.989 5.544 2.343 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.593 6.093 1.899 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.663 7.208 -0.113 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.058 6.645 0.310 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.241 7.888 2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.795 8.512 1.975 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.146 8.952 0.537 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.959 10.127 1.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.493 10.630 -0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.895 9.946 -0.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.909 9.024 -1.038 1.00 0.00 H new ATOM 1324 N ARG A 83 18.281 3.542 2.315 1.00 0.00 N ATOM 1325 CA ARG A 83 18.763 2.494 3.207 1.00 0.00 C ATOM 1326 C ARG A 83 18.941 3.023 4.626 1.00 0.00 C ATOM 1327 O ARG A 83 19.750 3.919 4.869 1.00 0.00 O ATOM 1328 CB ARG A 83 20.084 1.920 2.691 1.00 0.00 C ATOM 1329 CG ARG A 83 19.960 1.231 1.342 1.00 0.00 C ATOM 1330 CD ARG A 83 21.279 0.616 0.905 1.00 0.00 C ATOM 1331 NE ARG A 83 22.329 1.620 0.756 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.575 1.336 0.390 1.00 0.00 C ATOM 1333 NH1 ARG A 83 23.927 0.082 0.137 1.00 0.00 N ATOM 1334 NH2 ARG A 83 24.472 2.306 0.277 1.00 0.00 N ATOM 0 H ARG A 83 18.816 4.409 2.354 1.00 0.00 H new ATOM 0 HA ARG A 83 18.016 1.700 3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.815 2.725 2.613 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.471 1.208 3.420 1.00 0.00 H new ATOM 0 HG2 ARG A 83 19.197 0.455 1.398 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.628 1.951 0.594 1.00 0.00 H new ATOM 0 HD2 ARG A 83 21.591 -0.129 1.637 1.00 0.00 H new ATOM 0 HD3 ARG A 83 21.140 0.094 -0.042 1.00 0.00 H new ATOM 0 HE ARG A 83 22.093 2.594 0.943 1.00 0.00 H new ATOM 0 HH11 ARG A 83 23.241 -0.668 0.223 1.00 0.00 H new ATOM 0 HH12 ARG A 83 24.884 -0.132 -0.144 1.00 0.00 H new ATOM 0 HH21 ARG A 83 24.206 3.271 0.471 1.00 0.00 H new ATOM 0 HH22 ARG A 83 25.428 2.087 -0.004 1.00 0.00 H new ATOM 1348 N GLY A 84 18.180 2.461 5.559 1.00 0.00 N ATOM 1349 CA GLY A 84 18.263 2.886 6.944 1.00 0.00 C ATOM 1350 C GLY A 84 17.088 2.396 7.766 1.00 0.00 C ATOM 1351 O GLY A 84 16.992 1.208 8.075 1.00 0.00 O ATOM 0 H GLY A 84 17.506 1.717 5.380 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.190 2.514 7.381 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.305 3.974 6.986 1.00 0.00 H new ATOM 1355 N HIS A 85 16.192 3.311 8.122 1.00 0.00 N ATOM 1356 CA HIS A 85 15.016 2.962 8.909 1.00 0.00 C ATOM 1357 C HIS A 85 13.738 3.217 8.119 1.00 0.00 C ATOM 1358 O HIS A 85 13.189 4.320 8.144 1.00 0.00 O ATOM 1359 CB HIS A 85 14.989 3.756 10.215 1.00 0.00 C ATOM 1360 CG HIS A 85 16.178 3.511 11.091 1.00 0.00 C ATOM 1361 ND1 HIS A 85 17.251 4.375 11.161 1.00 0.00 N ATOM 1362 CD2 HIS A 85 16.461 2.494 11.939 1.00 0.00 C ATOM 1363 CE1 HIS A 85 18.142 3.900 12.014 1.00 0.00 C ATOM 1364 NE2 HIS A 85 17.686 2.760 12.499 1.00 0.00 N ATOM 0 H HIS A 85 16.258 4.299 7.878 1.00 0.00 H new ATOM 0 HA HIS A 85 15.073 1.899 9.143 1.00 0.00 H new ATOM 0 HB2 HIS A 85 14.933 4.819 9.983 1.00 0.00 H new ATOM 0 HB3 HIS A 85 14.084 3.502 10.766 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.839 1.634 12.138 1.00 0.00 H new ATOM 0 HE1 HIS A 85 19.082 4.365 12.270 1.00 0.00 H new ATOM 0 HE2 HIS A 85 18.166 2.172 13.180 1.00 0.00 H new ATOM 1373 N HIS A 86 13.276 2.191 7.415 1.00 0.00 N ATOM 1374 CA HIS A 86 12.062 2.294 6.613 1.00 0.00 C ATOM 1375 C HIS A 86 10.951 1.437 7.210 1.00 0.00 C ATOM 1376 O HIS A 86 11.219 0.490 7.950 1.00 0.00 O ATOM 1377 CB HIS A 86 12.333 1.853 5.173 1.00 0.00 C ATOM 1378 CG HIS A 86 13.395 2.648 4.479 1.00 0.00 C ATOM 1379 ND1 HIS A 86 14.379 3.344 5.149 1.00 0.00 N ATOM 1380 CD2 HIS A 86 13.624 2.856 3.161 1.00 0.00 C ATOM 1381 CE1 HIS A 86 15.165 3.945 4.274 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.728 3.664 3.062 1.00 0.00 N ATOM 0 H HIS A 86 13.725 1.276 7.383 1.00 0.00 H new ATOM 0 HA HIS A 86 11.744 3.337 6.613 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.624 0.802 5.175 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.408 1.927 4.602 1.00 0.00 H new ATOM 0 HD1 HIS A 86 14.484 3.388 6.163 1.00 0.00 H new ATOM 0 HD2 HIS A 86 13.045 2.459 2.340 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.020 4.561 4.511 1.00 0.00 H new ATOM 1391 N THR A 87 9.706 1.770 6.884 1.00 0.00 N ATOM 1392 CA THR A 87 8.566 1.022 7.398 1.00 0.00 C ATOM 1393 C THR A 87 7.321 1.231 6.538 1.00 0.00 C ATOM 1394 O THR A 87 7.103 2.314 5.995 1.00 0.00 O ATOM 1395 CB THR A 87 8.238 1.425 8.846 1.00 0.00 C ATOM 1396 OG1 THR A 87 9.400 1.279 9.673 1.00 0.00 O ATOM 1397 CG2 THR A 87 7.113 0.567 9.393 1.00 0.00 C ATOM 0 H THR A 87 9.463 2.548 6.270 1.00 0.00 H new ATOM 0 HA THR A 87 8.850 -0.030 7.369 1.00 0.00 H new ATOM 0 HB THR A 87 7.921 2.468 8.850 1.00 0.00 H new ATOM 0 HG1 THR A 87 9.251 0.561 10.323 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.894 0.865 10.418 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.223 0.699 8.778 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.413 -0.481 9.376 1.00 0.00 H new ATOM 1405 N LEU A 88 6.506 0.186 6.431 1.00 0.00 N ATOM 1406 CA LEU A 88 5.279 0.243 5.645 1.00 0.00 C ATOM 1407 C LEU A 88 4.062 0.144 6.553 1.00 0.00 C ATOM 1408 O LEU A 88 3.600 -0.950 6.875 1.00 0.00 O ATOM 1409 CB LEU A 88 5.256 -0.889 4.621 1.00 0.00 C ATOM 1410 CG LEU A 88 3.915 -1.101 3.916 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.711 -0.054 2.835 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.841 -2.500 3.328 1.00 0.00 C ATOM 0 H LEU A 88 6.675 -0.714 6.881 1.00 0.00 H new ATOM 0 HA LEU A 88 5.249 1.198 5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.018 -0.691 3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.536 -1.816 5.121 1.00 0.00 H new ATOM 0 HG LEU A 88 3.117 -0.994 4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.752 -0.220 2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.722 0.939 3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.513 -0.129 2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.881 -2.635 2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.646 -2.634 2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.942 -3.236 4.126 1.00 0.00 H new ATOM 1424 N GLU A 89 3.552 1.291 6.970 1.00 0.00 N ATOM 1425 CA GLU A 89 2.397 1.337 7.847 1.00 0.00 C ATOM 1426 C GLU A 89 1.094 1.102 7.095 1.00 0.00 C ATOM 1427 O GLU A 89 0.521 2.030 6.531 1.00 0.00 O ATOM 1428 CB GLU A 89 2.340 2.684 8.556 1.00 0.00 C ATOM 1429 CG GLU A 89 3.462 2.877 9.550 1.00 0.00 C ATOM 1430 CD GLU A 89 3.458 4.255 10.182 1.00 0.00 C ATOM 1431 OE1 GLU A 89 2.805 4.423 11.233 1.00 0.00 O ATOM 1432 OE2 GLU A 89 4.108 5.165 9.627 1.00 0.00 O ATOM 0 H GLU A 89 3.923 2.206 6.713 1.00 0.00 H new ATOM 0 HA GLU A 89 2.509 0.534 8.575 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.379 3.481 7.813 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.385 2.776 9.073 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.381 2.123 10.333 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.417 2.715 9.049 1.00 0.00 H new ATOM 1439 N LEU A 90 0.634 -0.144 7.082 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.627 -0.472 6.428 1.00 0.00 C ATOM 1441 C LEU A 90 -1.715 -0.626 7.480 1.00 0.00 C ATOM 1442 O LEU A 90 -1.503 -1.265 8.511 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.510 -1.745 5.589 1.00 0.00 C ATOM 1444 CG LEU A 90 0.344 -1.614 4.327 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.396 -2.939 3.584 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.198 -0.514 3.423 1.00 0.00 C ATOM 0 H LEU A 90 1.110 -0.937 7.512 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.886 0.341 5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.091 -2.535 6.212 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.511 -2.064 5.300 1.00 0.00 H new ATOM 0 HG LEU A 90 1.357 -1.343 4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.007 -2.830 2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.831 -3.701 4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.613 -3.237 3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.424 -0.437 2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.221 -0.753 3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.185 0.436 3.958 1.00 0.00 H new ATOM 1458 N VAL A 91 -2.874 -0.040 7.221 1.00 0.00 N ATOM 1459 CA VAL A 91 -3.971 -0.089 8.174 1.00 0.00 C ATOM 1460 C VAL A 91 -5.322 -0.290 7.486 1.00 0.00 C ATOM 1461 O VAL A 91 -5.497 0.057 6.310 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.014 1.215 8.994 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.196 2.414 8.069 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.108 1.167 10.050 1.00 0.00 C ATOM 0 H VAL A 91 -3.078 0.473 6.363 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.792 -0.943 8.828 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.063 1.323 9.515 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.225 3.329 8.661 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.363 2.462 7.367 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.130 2.309 7.517 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.113 2.101 10.612 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.075 1.030 9.566 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.921 0.336 10.730 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.267 -0.866 8.233 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.621 -1.098 7.739 1.00 0.00 C ATOM 1476 C TYR A 92 -8.530 0.024 8.237 1.00 0.00 C ATOM 1477 O TYR A 92 -9.060 -0.044 9.344 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.134 -2.457 8.225 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.253 -3.041 7.388 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.222 -2.975 5.999 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.336 -3.671 7.988 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.238 -3.516 5.236 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.355 -4.217 7.231 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.302 -4.136 5.855 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.315 -4.679 5.097 1.00 0.00 O ATOM 0 H TYR A 92 -6.114 -1.182 9.191 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.618 -1.105 6.649 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.302 -3.161 8.239 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.482 -2.354 9.253 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.389 -2.493 5.509 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.382 -3.735 9.065 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.199 -3.454 4.159 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.189 -4.705 7.714 1.00 0.00 H new ATOM 0 HH TYR A 92 -12.987 -5.079 5.688 1.00 0.00 H new ATOM 1495 N THR A 93 -8.702 1.057 7.414 1.00 0.00 N ATOM 1496 CA THR A 93 -9.503 2.217 7.803 1.00 0.00 C ATOM 1497 C THR A 93 -10.545 2.600 6.762 1.00 0.00 C ATOM 1498 O THR A 93 -10.395 2.308 5.586 1.00 0.00 O ATOM 1499 CB THR A 93 -8.598 3.434 7.995 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.382 4.576 8.352 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.833 3.718 6.712 1.00 0.00 C ATOM 0 H THR A 93 -8.300 1.115 6.478 1.00 0.00 H new ATOM 0 HA THR A 93 -10.011 1.933 8.724 1.00 0.00 H new ATOM 0 HB THR A 93 -7.889 3.224 8.796 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.389 5.214 7.608 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.190 4.586 6.856 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.222 2.853 6.454 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.538 3.918 5.905 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.585 3.297 7.211 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.640 3.759 6.319 1.00 0.00 C ATOM 1511 C ARG A 94 -12.312 5.165 5.810 1.00 0.00 C ATOM 1512 O ARG A 94 -12.512 6.143 6.526 1.00 0.00 O ATOM 1513 CB ARG A 94 -13.986 3.771 7.046 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.392 2.419 7.606 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.696 2.503 8.383 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.809 2.936 7.543 1.00 0.00 N ATOM 1517 CZ ARG A 94 -18.040 3.145 8.000 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.313 2.967 9.286 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -19.000 3.535 7.172 1.00 0.00 N ATOM 0 H ARG A 94 -11.718 3.554 8.189 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.706 3.076 5.472 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.942 4.493 7.861 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.757 4.115 6.357 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.499 1.704 6.790 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.603 2.043 8.258 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -15.925 1.528 8.813 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.578 3.198 9.214 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.632 3.087 6.550 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.578 2.669 9.927 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.258 3.128 9.634 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.795 3.675 6.183 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.944 3.695 7.524 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.781 5.277 4.576 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.414 6.560 3.973 1.00 0.00 C ATOM 1535 C PRO A 95 -12.390 7.695 4.297 1.00 0.00 C ATOM 1536 O PRO A 95 -11.992 8.732 4.829 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.442 6.255 2.478 1.00 0.00 C ATOM 1538 CG PRO A 95 -11.110 4.803 2.361 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.476 4.151 3.672 1.00 0.00 C ATOM 0 HA PRO A 95 -10.455 6.915 4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.422 6.469 2.052 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.719 6.868 1.939 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.662 4.348 1.538 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.050 4.667 2.147 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.335 3.489 3.559 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.655 3.545 4.056 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.662 7.491 3.972 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.691 8.495 4.198 1.00 0.00 C ATOM 1549 C PHE A 96 -15.143 8.552 5.659 1.00 0.00 C ATOM 1550 O PHE A 96 -16.245 9.017 5.950 1.00 0.00 O ATOM 1551 CB PHE A 96 -15.885 8.190 3.298 1.00 0.00 C ATOM 1552 CG PHE A 96 -16.255 6.734 3.268 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -16.932 6.157 4.330 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -15.922 5.942 2.181 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -17.271 4.819 4.309 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -16.259 4.602 2.153 1.00 0.00 C ATOM 1557 CZ PHE A 96 -16.934 4.040 3.219 1.00 0.00 C ATOM 0 H PHE A 96 -14.006 6.630 3.547 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.267 9.470 3.958 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.744 8.768 3.639 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -15.660 8.521 2.284 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -17.198 6.761 5.185 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -15.393 6.377 1.346 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -17.799 4.382 5.144 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -15.995 3.995 1.299 1.00 0.00 H new ATOM 0 HZ PHE A 96 -17.198 2.993 3.200 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.293 8.095 6.574 1.00 0.00 N ATOM 1568 CA GLU A 97 -14.631 8.101 7.996 1.00 0.00 C ATOM 1569 C GLU A 97 -13.389 8.257 8.873 1.00 0.00 C ATOM 1570 O GLU A 97 -13.487 8.267 10.100 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.368 6.815 8.371 1.00 0.00 C ATOM 1572 CG GLU A 97 -16.810 6.779 7.896 1.00 0.00 C ATOM 1573 CD GLU A 97 -17.687 7.784 8.616 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -18.264 7.425 9.664 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -17.797 8.931 8.132 1.00 0.00 O ATOM 0 H GLU A 97 -13.370 7.718 6.359 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.280 8.959 8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.834 5.964 7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.348 6.698 9.455 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -16.841 6.978 6.825 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.213 5.777 8.046 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.225 8.379 8.243 1.00 0.00 N ATOM 1583 CA GLY A 98 -10.991 8.532 8.996 1.00 0.00 C ATOM 1584 C GLY A 98 -10.485 7.219 9.550 1.00 0.00 C ATOM 1585 O GLY A 98 -11.119 6.178 9.378 1.00 0.00 O ATOM 0 H GLY A 98 -12.113 8.375 7.229 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.228 8.969 8.352 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.154 9.230 9.817 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.341 7.270 10.224 1.00 0.00 N ATOM 1590 CA ILE A 99 -8.732 6.075 10.793 1.00 0.00 C ATOM 1591 C ILE A 99 -8.914 6.008 12.305 1.00 0.00 C ATOM 1592 O ILE A 99 -9.152 7.023 12.961 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.234 6.020 10.458 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.007 6.477 9.013 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.698 4.612 10.676 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.551 6.686 8.662 1.00 0.00 C ATOM 0 H ILE A 99 -8.816 8.129 10.389 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.239 5.218 10.349 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.692 6.694 11.121 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.432 5.736 8.336 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.549 7.408 8.847 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.635 4.586 10.435 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.841 4.325 11.718 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.233 3.915 10.031 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.470 7.009 7.624 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.126 7.449 9.314 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.007 5.751 8.795 1.00 0.00 H new ATOM 1608 N LYS A 100 -8.801 4.799 12.847 1.00 0.00 N ATOM 1609 CA LYS A 100 -8.957 4.576 14.277 1.00 0.00 C ATOM 1610 C LYS A 100 -7.861 3.653 14.807 1.00 0.00 C ATOM 1611 O LYS A 100 -7.161 3.000 14.032 1.00 0.00 O ATOM 1612 CB LYS A 100 -10.328 3.967 14.556 1.00 0.00 C ATOM 1613 CG LYS A 100 -11.464 4.679 13.841 1.00 0.00 C ATOM 1614 CD LYS A 100 -12.801 4.007 14.107 1.00 0.00 C ATOM 1615 CE LYS A 100 -13.509 3.648 12.811 1.00 0.00 C ATOM 1616 NZ LYS A 100 -14.820 2.988 13.058 1.00 0.00 N ATOM 0 H LYS A 100 -8.600 3.954 12.311 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.874 5.535 14.788 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.320 2.919 14.255 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.515 3.989 15.630 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.507 5.718 14.169 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.269 4.691 12.769 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -12.645 3.106 14.700 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.433 4.671 14.697 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.663 4.551 12.220 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.874 2.986 12.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -14.822 2.045 12.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.974 2.893 14.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.582 3.564 12.645 1.00 0.00 H new ATOM 1630 N PRO A 101 -7.700 3.586 16.141 1.00 0.00 N ATOM 1631 CA PRO A 101 -6.694 2.736 16.778 1.00 0.00 C ATOM 1632 C PRO A 101 -7.094 1.265 16.757 1.00 0.00 C ATOM 1633 O PRO A 101 -6.264 0.388 16.519 1.00 0.00 O ATOM 1634 CB PRO A 101 -6.635 3.249 18.227 1.00 0.00 C ATOM 1635 CG PRO A 101 -7.519 4.453 18.280 1.00 0.00 C ATOM 1636 CD PRO A 101 -8.478 4.330 17.133 1.00 0.00 C ATOM 0 HA PRO A 101 -5.736 2.789 16.260 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.977 2.484 18.925 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.613 3.504 18.508 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.053 4.500 19.229 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -6.933 5.368 18.199 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.385 3.797 17.419 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.787 5.305 16.757 1.00 0.00 H new ATOM 1644 N GLU A 102 -8.373 1.005 17.011 1.00 0.00 N ATOM 1645 CA GLU A 102 -8.892 -0.358 17.024 1.00 0.00 C ATOM 1646 C GLU A 102 -8.796 -0.996 15.642 1.00 0.00 C ATOM 1647 O GLU A 102 -8.711 -2.217 15.517 1.00 0.00 O ATOM 1648 CB GLU A 102 -10.340 -0.368 17.503 1.00 0.00 C ATOM 1649 CG GLU A 102 -11.219 0.583 16.723 1.00 0.00 C ATOM 1650 CD GLU A 102 -12.658 0.579 17.202 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -12.986 1.380 18.103 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -13.456 -0.223 16.674 1.00 0.00 O ATOM 0 H GLU A 102 -9.070 1.722 17.211 1.00 0.00 H new ATOM 0 HA GLU A 102 -8.283 -0.943 17.714 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.740 -1.378 17.418 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -10.371 -0.101 18.559 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.816 1.593 16.805 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.191 0.313 15.667 1.00 0.00 H new ATOM 1659 N ASN A 103 -8.816 -0.159 14.608 1.00 0.00 N ATOM 1660 CA ASN A 103 -8.728 -0.637 13.229 1.00 0.00 C ATOM 1661 C ASN A 103 -7.569 -1.616 13.054 1.00 0.00 C ATOM 1662 O ASN A 103 -6.545 -1.509 13.729 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.560 0.545 12.273 1.00 0.00 C ATOM 1664 CG ASN A 103 -9.863 1.282 12.024 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -10.043 1.911 10.981 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -10.784 1.204 12.979 1.00 0.00 N ATOM 0 H ASN A 103 -8.892 0.854 14.698 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.654 -1.162 12.996 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -7.827 1.239 12.684 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.162 0.186 11.324 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -11.681 1.676 12.863 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.594 0.672 13.828 1.00 0.00 H new ATOM 1673 N GLU A 104 -7.744 -2.572 12.142 1.00 0.00 N ATOM 1674 CA GLU A 104 -6.721 -3.575 11.870 1.00 0.00 C ATOM 1675 C GLU A 104 -5.384 -2.916 11.546 1.00 0.00 C ATOM 1676 O GLU A 104 -5.332 -1.741 11.181 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.162 -4.470 10.713 1.00 0.00 C ATOM 1678 CG GLU A 104 -6.805 -5.933 10.907 1.00 0.00 C ATOM 1679 CD GLU A 104 -7.670 -6.862 10.077 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -8.840 -7.080 10.456 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -7.179 -7.370 9.047 1.00 0.00 O ATOM 0 H GLU A 104 -8.588 -2.671 11.579 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.591 -4.185 12.764 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.241 -4.381 10.587 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.703 -4.112 9.792 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.758 -6.085 10.643 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.909 -6.191 11.961 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.307 -3.683 11.671 1.00 0.00 N ATOM 1689 CA ARG A 105 -2.966 -3.169 11.412 1.00 0.00 C ATOM 1690 C ARG A 105 -2.157 -4.127 10.540 1.00 0.00 C ATOM 1691 O ARG A 105 -2.505 -5.297 10.398 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.234 -2.941 12.742 1.00 0.00 C ATOM 1693 CG ARG A 105 -0.842 -2.345 12.594 1.00 0.00 C ATOM 1694 CD ARG A 105 -0.901 -0.831 12.615 1.00 0.00 C ATOM 1695 NE ARG A 105 -1.407 -0.334 13.888 1.00 0.00 N ATOM 1696 CZ ARG A 105 -1.482 0.956 14.202 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -1.083 1.878 13.335 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -1.958 1.326 15.382 1.00 0.00 N ATOM 0 H ARG A 105 -4.336 -4.664 11.950 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.065 -2.226 10.875 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -2.835 -2.280 13.366 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.156 -3.892 13.268 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.202 -2.700 13.402 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.394 -2.683 11.660 1.00 0.00 H new ATOM 0 HD2 ARG A 105 0.094 -0.425 12.434 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.541 -0.479 11.806 1.00 0.00 H new ATOM 0 HE ARG A 105 -1.722 -1.015 14.579 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -0.718 1.598 12.425 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.142 2.867 13.579 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.267 0.621 16.051 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.015 2.316 15.621 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.099 -3.594 9.936 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.185 -4.369 9.104 1.00 0.00 C ATOM 1714 C TYR A 106 1.018 -3.500 8.754 1.00 0.00 C ATOM 1715 O TYR A 106 1.237 -3.138 7.600 1.00 0.00 O ATOM 1716 CB TYR A 106 -0.876 -4.890 7.839 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.074 -5.928 7.094 1.00 0.00 C ATOM 1718 CD1 TYR A 106 0.834 -5.568 6.108 1.00 0.00 C ATOM 1719 CD2 TYR A 106 -0.232 -7.275 7.380 1.00 0.00 C ATOM 1720 CE1 TYR A 106 1.564 -6.525 5.429 1.00 0.00 C ATOM 1721 CE2 TYR A 106 0.492 -8.237 6.708 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.388 -7.858 5.732 1.00 0.00 C ATOM 1723 OH TYR A 106 2.112 -8.816 5.060 1.00 0.00 O ATOM 0 H TYR A 106 -0.851 -2.608 10.011 1.00 0.00 H new ATOM 0 HA TYR A 106 0.147 -5.245 9.662 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.841 -5.317 8.112 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.076 -4.051 7.173 1.00 0.00 H new ATOM 0 HD1 TYR A 106 0.972 -4.524 5.868 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -0.935 -7.576 8.143 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.268 -6.230 4.665 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.358 -9.282 6.945 1.00 0.00 H new ATOM 0 HH TYR A 106 1.869 -9.704 5.395 1.00 0.00 H new ATOM 1733 N THR A 107 1.784 -3.150 9.781 1.00 0.00 N ATOM 1734 CA THR A 107 2.957 -2.307 9.610 1.00 0.00 C ATOM 1735 C THR A 107 4.193 -3.135 9.277 1.00 0.00 C ATOM 1736 O THR A 107 4.874 -3.641 10.168 1.00 0.00 O ATOM 1737 CB THR A 107 3.226 -1.477 10.878 1.00 0.00 C ATOM 1738 OG1 THR A 107 2.007 -0.886 11.343 1.00 0.00 O ATOM 1739 CG2 THR A 107 4.244 -0.385 10.604 1.00 0.00 C ATOM 0 H THR A 107 1.611 -3.439 10.744 1.00 0.00 H new ATOM 0 HA THR A 107 2.751 -1.635 8.777 1.00 0.00 H new ATOM 0 HB THR A 107 3.625 -2.144 11.642 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.752 -1.292 12.198 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.417 0.188 11.515 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.181 -0.835 10.275 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.866 0.278 9.825 1.00 0.00 H new ATOM 1747 N LEU A 108 4.475 -3.267 7.986 1.00 0.00 N ATOM 1748 CA LEU A 108 5.627 -4.033 7.528 1.00 0.00 C ATOM 1749 C LEU A 108 6.921 -3.262 7.762 1.00 0.00 C ATOM 1750 O LEU A 108 7.344 -2.467 6.923 1.00 0.00 O ATOM 1751 CB LEU A 108 5.477 -4.377 6.045 1.00 0.00 C ATOM 1752 CG LEU A 108 6.690 -5.056 5.402 1.00 0.00 C ATOM 1753 CD1 LEU A 108 7.075 -6.310 6.173 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.404 -5.389 3.947 1.00 0.00 C ATOM 0 H LEU A 108 3.920 -2.853 7.237 1.00 0.00 H new ATOM 0 HA LEU A 108 5.673 -4.958 8.103 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.612 -5.029 5.926 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.262 -3.460 5.497 1.00 0.00 H new ATOM 0 HG LEU A 108 7.530 -4.363 5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.939 -6.777 5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.324 -6.044 7.200 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.239 -7.009 6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.276 -5.871 3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.549 -6.063 3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.181 -4.472 3.401 1.00 0.00 H new ATOM 1766 N HIS A 109 7.544 -3.503 8.911 1.00 0.00 N ATOM 1767 CA HIS A 109 8.790 -2.834 9.260 1.00 0.00 C ATOM 1768 C HIS A 109 9.968 -3.455 8.520 1.00 0.00 C ATOM 1769 O HIS A 109 10.077 -4.677 8.408 1.00 0.00 O ATOM 1770 CB HIS A 109 9.021 -2.889 10.763 1.00 0.00 C ATOM 1771 CG HIS A 109 8.347 -1.788 11.519 1.00 0.00 C ATOM 1772 ND1 HIS A 109 9.004 -0.648 11.933 1.00 0.00 N ATOM 1773 CD2 HIS A 109 7.066 -1.656 11.938 1.00 0.00 C ATOM 1774 CE1 HIS A 109 8.157 0.137 12.575 1.00 0.00 C ATOM 1775 NE2 HIS A 109 6.976 -0.451 12.591 1.00 0.00 N ATOM 0 H HIS A 109 7.205 -4.157 9.616 1.00 0.00 H new ATOM 0 HA HIS A 109 8.709 -1.790 8.957 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.665 -3.847 11.141 1.00 0.00 H new ATOM 0 HB3 HIS A 109 10.093 -2.848 10.958 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.265 -2.365 11.787 1.00 0.00 H new ATOM 0 HE1 HIS A 109 8.391 1.096 13.012 1.00 0.00 H new ATOM 0 HE2 HIS A 109 6.132 -0.072 13.020 1.00 0.00 H new ATOM 1784 N LEU A 110 10.859 -2.595 8.041 1.00 0.00 N ATOM 1785 CA LEU A 110 12.026 -3.026 7.283 1.00 0.00 C ATOM 1786 C LEU A 110 13.241 -2.163 7.604 1.00 0.00 C ATOM 1787 O LEU A 110 13.348 -1.030 7.134 1.00 0.00 O ATOM 1788 CB LEU A 110 11.736 -2.949 5.780 1.00 0.00 C ATOM 1789 CG LEU A 110 10.577 -3.824 5.292 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.270 -3.529 3.831 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.896 -5.298 5.484 1.00 0.00 C ATOM 0 H LEU A 110 10.793 -1.585 8.166 1.00 0.00 H new ATOM 0 HA LEU A 110 12.244 -4.056 7.565 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.521 -1.912 5.521 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.638 -3.233 5.238 1.00 0.00 H new ATOM 0 HG LEU A 110 9.695 -3.588 5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.444 -4.158 3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.994 -2.480 3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.152 -3.737 3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.059 -5.900 5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.792 -5.553 4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 110 11.066 -5.499 6.542 1.00 0.00 H new ATOM 1803 N ASN A 111 14.151 -2.696 8.413 1.00 0.00 N ATOM 1804 CA ASN A 111 15.366 -1.977 8.768 1.00 0.00 C ATOM 1805 C ASN A 111 16.371 -2.119 7.634 1.00 0.00 C ATOM 1806 O ASN A 111 17.420 -2.748 7.786 1.00 0.00 O ATOM 1807 CB ASN A 111 15.949 -2.517 10.076 1.00 0.00 C ATOM 1808 CG ASN A 111 16.914 -1.549 10.737 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.036 -1.519 11.962 1.00 0.00 O ATOM 1810 ND2 ASN A 111 17.608 -0.750 9.932 1.00 0.00 N ATOM 0 H ASN A 111 14.069 -3.622 8.834 1.00 0.00 H new ATOM 0 HA ASN A 111 15.134 -0.923 8.919 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.135 -2.739 10.766 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.464 -3.457 9.878 1.00 0.00 H new ATOM 0 HD21 ASN A 111 18.270 -0.081 10.325 1.00 0.00 H new ATOM 0 HD22 ASN A 111 17.478 -0.806 8.922 1.00 0.00 H new ATOM 1817 N VAL A 112 16.025 -1.533 6.494 1.00 0.00 N ATOM 1818 CA VAL A 112 16.856 -1.594 5.298 1.00 0.00 C ATOM 1819 C VAL A 112 18.326 -1.339 5.617 1.00 0.00 C ATOM 1820 O VAL A 112 18.703 -0.238 6.017 1.00 0.00 O ATOM 1821 CB VAL A 112 16.395 -0.570 4.242 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.793 -1.028 2.851 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.893 -0.341 4.320 1.00 0.00 C ATOM 0 H VAL A 112 15.162 -1.003 6.373 1.00 0.00 H new ATOM 0 HA VAL A 112 16.747 -2.603 4.900 1.00 0.00 H new ATOM 0 HB VAL A 112 16.890 0.378 4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.460 -0.294 2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.877 -1.129 2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.328 -1.991 2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.596 0.386 3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.372 -1.282 4.144 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.634 0.038 5.309 1.00 0.00 H new ATOM 1833 N LYS A 113 19.152 -2.367 5.437 1.00 0.00 N ATOM 1834 CA LYS A 113 20.581 -2.256 5.699 1.00 0.00 C ATOM 1835 C LYS A 113 21.339 -1.871 4.432 1.00 0.00 C ATOM 1836 O LYS A 113 21.556 -0.660 4.218 1.00 0.00 O ATOM 1837 CB LYS A 113 21.115 -3.577 6.247 1.00 0.00 C ATOM 1838 CG LYS A 113 20.652 -3.875 7.663 1.00 0.00 C ATOM 1839 CD LYS A 113 21.509 -3.152 8.690 1.00 0.00 C ATOM 1840 CE LYS A 113 20.985 -3.359 10.102 1.00 0.00 C ATOM 1841 NZ LYS A 113 19.660 -2.710 10.303 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.711 -2.784 3.664 1.00 0.00 O ATOM 0 H LYS A 113 18.854 -3.286 5.110 1.00 0.00 H new ATOM 0 HA LYS A 113 20.734 -1.472 6.440 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.799 -4.388 5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.205 -3.556 6.226 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.611 -3.573 7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 113 20.694 -4.949 7.843 1.00 0.00 H new ATOM 0 HD2 LYS A 113 22.536 -3.512 8.626 1.00 0.00 H new ATOM 0 HD3 LYS A 113 21.530 -2.086 8.462 1.00 0.00 H new ATOM 0 HE2 LYS A 113 20.901 -4.427 10.305 1.00 0.00 H new ATOM 0 HE3 LYS A 113 21.700 -2.954 10.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 19.535 -2.481 11.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 19.612 -1.836 9.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 18.906 -3.359 9.999 1.00 0.00 H new