USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=25 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 -116:sc= 0.52 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -1.6 K(o=-1.1,f=-3.8) USER MOD Set 2.1: A 17 HIS : no HD1:sc= 0.705 K(o=1.5,f=-2.2) USER MOD Set 2.2: A 20 LYS NZ :NH3+ -169:sc= 0.822 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -1.84! C(o=-6.3!,f=-1.8!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 22 THR OG1 : rot 56:sc= 0.105 USER MOD Single : A 25 HIS : no HE2:sc= -1.95 K(o=-1.9,f=-6.1!) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= -0.0221 (180deg=-0.267) USER MOD Single : A 29 ASN : amide:sc= -0.654 X(o=-0.65,f=-1.1) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 139:sc= -2.18! (180deg=-4.32!) USER MOD Single : A 37 THR OG1 : rot 110:sc= 0.0496 USER MOD Single : A 48 SER OG : rot 45:sc= -0.0183 USER MOD Single : A 56 CYS SG : rot 180:sc= -1.42 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.0274 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.951 USER MOD Single : A 79 LYS NZ :NH3+ -114:sc= 0.0349 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -132:sc= 1.25 (180deg=-0.257) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= -7.33! C(o=-7.3!,f=-14!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -120:sc= -2.49 USER MOD Single : A 100 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0423) USER MOD Single : A 103 ASN :FLIP amide:sc= -5.39! C(o=-7.5!,f=-5.4!) USER MOD Single : A 106 TYR OH : rot -119:sc= -0.975 USER MOD Single : A 107 THR OG1 : rot -110:sc= -0.714 USER MOD Single : A 111 ASN : amide:sc= -0.136 K(o=-0.14,f=-0.79) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 179 N ASN A 10 0.181 -8.806 11.611 1.00 0.00 N ATOM 180 CA ASN A 10 0.230 -7.548 10.889 1.00 0.00 C ATOM 181 C ASN A 10 1.642 -6.986 10.808 1.00 0.00 C ATOM 182 O ASN A 10 2.416 -7.336 9.918 1.00 0.00 O ATOM 183 CB ASN A 10 -0.691 -6.524 11.552 1.00 0.00 C ATOM 184 CG ASN A 10 -0.733 -6.630 13.059 1.00 0.00 C ATOM 185 OD1 ASN A 10 -0.738 -5.480 13.718 1.00 0.00 O flip ATOM 186 ND2 ASN A 10 -0.756 -7.722 13.627 1.00 0.00 N flip ATOM 0 HA ASN A 10 -0.108 -7.748 9.872 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.363 -5.522 11.276 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.700 -6.649 11.160 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.751 -8.582 13.079 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.780 -7.767 14.646 1.00 0.00 H new ATOM 193 N ASP A 11 1.958 -6.110 11.749 1.00 0.00 N ATOM 194 CA ASP A 11 3.254 -5.461 11.806 1.00 0.00 C ATOM 195 C ASP A 11 4.393 -6.469 11.787 1.00 0.00 C ATOM 196 O ASP A 11 4.718 -7.082 12.802 1.00 0.00 O ATOM 197 CB ASP A 11 3.346 -4.582 13.052 1.00 0.00 C ATOM 198 CG ASP A 11 2.653 -5.201 14.251 1.00 0.00 C ATOM 199 OD1 ASP A 11 3.096 -6.275 14.706 1.00 0.00 O ATOM 200 OD2 ASP A 11 1.668 -4.608 14.737 1.00 0.00 O ATOM 0 H ASP A 11 1.321 -5.830 12.495 1.00 0.00 H new ATOM 0 HA ASP A 11 3.352 -4.838 10.917 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.395 -4.407 13.293 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.901 -3.610 12.841 1.00 0.00 H new ATOM 205 N LYS A 12 4.983 -6.640 10.612 1.00 0.00 N ATOM 206 CA LYS A 12 6.103 -7.555 10.444 1.00 0.00 C ATOM 207 C LYS A 12 7.423 -6.834 10.695 1.00 0.00 C ATOM 208 O LYS A 12 8.008 -6.248 9.783 1.00 0.00 O ATOM 209 CB LYS A 12 6.097 -8.158 9.040 1.00 0.00 C ATOM 210 CG LYS A 12 6.339 -9.655 9.029 1.00 0.00 C ATOM 211 CD LYS A 12 6.442 -10.199 7.614 1.00 0.00 C ATOM 212 CE LYS A 12 7.734 -9.765 6.940 1.00 0.00 C ATOM 213 NZ LYS A 12 7.839 -10.284 5.549 1.00 0.00 N ATOM 0 H LYS A 12 4.704 -6.156 9.759 1.00 0.00 H new ATOM 0 HA LYS A 12 5.998 -8.360 11.172 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.138 -7.949 8.566 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.863 -7.669 8.439 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.257 -9.879 9.572 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.527 -10.158 9.554 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.391 -11.288 7.638 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.591 -9.853 7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.788 -8.676 6.926 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.584 -10.118 7.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.734 -9.965 5.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.814 -11.324 5.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.042 -9.926 4.984 1.00 0.00 H new ATOM 227 N TRP A 13 7.879 -6.877 11.939 1.00 0.00 N ATOM 228 CA TRP A 13 9.121 -6.231 12.331 1.00 0.00 C ATOM 229 C TRP A 13 10.318 -7.014 11.808 1.00 0.00 C ATOM 230 O TRP A 13 10.715 -8.019 12.399 1.00 0.00 O ATOM 231 CB TRP A 13 9.168 -6.112 13.855 1.00 0.00 C ATOM 232 CG TRP A 13 7.821 -5.818 14.458 1.00 0.00 C ATOM 233 CD1 TRP A 13 6.846 -6.725 14.758 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.298 -4.533 14.824 1.00 0.00 C ATOM 235 NE1 TRP A 13 5.742 -6.084 15.267 1.00 0.00 N ATOM 236 CE2 TRP A 13 5.994 -4.739 15.322 1.00 0.00 C ATOM 237 CE3 TRP A 13 7.799 -3.230 14.777 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.187 -3.688 15.763 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.001 -2.191 15.219 1.00 0.00 C ATOM 240 CH2 TRP A 13 5.707 -2.425 15.704 1.00 0.00 C ATOM 0 H TRP A 13 7.400 -7.358 12.700 1.00 0.00 H new ATOM 0 HA TRP A 13 9.164 -5.232 11.896 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.555 -7.040 14.276 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.866 -5.322 14.132 1.00 0.00 H new ATOM 0 HD1 TRP A 13 6.930 -7.792 14.616 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.875 -6.537 15.557 1.00 0.00 H new ATOM 0 HE3 TRP A 13 8.793 -3.037 14.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.190 -3.866 16.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.382 -1.181 15.190 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.108 -1.590 16.038 1.00 0.00 H new ATOM 251 N VAL A 14 10.896 -6.550 10.696 1.00 0.00 N ATOM 252 CA VAL A 14 12.038 -7.243 10.096 1.00 0.00 C ATOM 253 C VAL A 14 12.972 -6.283 9.375 1.00 0.00 C ATOM 254 O VAL A 14 12.818 -5.068 9.464 1.00 0.00 O ATOM 255 CB VAL A 14 11.582 -8.325 9.094 1.00 0.00 C ATOM 256 CG1 VAL A 14 10.838 -9.445 9.805 1.00 0.00 C ATOM 257 CG2 VAL A 14 10.722 -7.711 7.999 1.00 0.00 C ATOM 0 H VAL A 14 10.597 -5.710 10.200 1.00 0.00 H new ATOM 0 HA VAL A 14 12.573 -7.711 10.923 1.00 0.00 H new ATOM 0 HB VAL A 14 12.469 -8.755 8.630 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.527 -10.195 9.077 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.494 -9.906 10.543 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.959 -9.038 10.305 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.410 -8.489 7.302 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.841 -7.248 8.444 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.298 -6.955 7.465 1.00 0.00 H new ATOM 267 N ASP A 15 13.946 -6.852 8.666 1.00 0.00 N ATOM 268 CA ASP A 15 14.922 -6.073 7.914 1.00 0.00 C ATOM 269 C ASP A 15 14.722 -6.270 6.414 1.00 0.00 C ATOM 270 O ASP A 15 13.775 -6.938 5.996 1.00 0.00 O ATOM 271 CB ASP A 15 16.336 -6.489 8.318 1.00 0.00 C ATOM 272 CG ASP A 15 16.722 -7.847 7.767 1.00 0.00 C ATOM 273 OD1 ASP A 15 16.450 -8.861 8.442 1.00 0.00 O ATOM 274 OD2 ASP A 15 17.294 -7.896 6.657 1.00 0.00 O ATOM 0 H ASP A 15 14.078 -7.861 8.598 1.00 0.00 H new ATOM 0 HA ASP A 15 14.781 -5.017 8.143 1.00 0.00 H new ATOM 0 HB2 ASP A 15 17.046 -5.742 7.964 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.409 -6.508 9.405 1.00 0.00 H new ATOM 279 N THR A 16 15.610 -5.694 5.603 1.00 0.00 N ATOM 280 CA THR A 16 15.498 -5.821 4.152 1.00 0.00 C ATOM 281 C THR A 16 16.690 -5.200 3.428 1.00 0.00 C ATOM 282 O THR A 16 17.631 -4.714 4.054 1.00 0.00 O ATOM 283 CB THR A 16 14.204 -5.154 3.644 1.00 0.00 C ATOM 284 OG1 THR A 16 13.835 -5.703 2.372 1.00 0.00 O ATOM 285 CG2 THR A 16 14.376 -3.649 3.516 1.00 0.00 C ATOM 0 H THR A 16 16.406 -5.141 5.922 1.00 0.00 H new ATOM 0 HA THR A 16 15.477 -6.889 3.934 1.00 0.00 H new ATOM 0 HB THR A 16 13.417 -5.352 4.371 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.011 -5.275 2.058 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.447 -3.206 3.156 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.626 -3.227 4.490 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.178 -3.433 2.811 1.00 0.00 H new ATOM 293 N HIS A 17 16.633 -5.225 2.097 1.00 0.00 N ATOM 294 CA HIS A 17 17.688 -4.656 1.264 1.00 0.00 C ATOM 295 C HIS A 17 17.163 -3.425 0.533 1.00 0.00 C ATOM 296 O HIS A 17 16.166 -2.838 0.944 1.00 0.00 O ATOM 297 CB HIS A 17 18.195 -5.694 0.260 1.00 0.00 C ATOM 298 CG HIS A 17 18.760 -6.921 0.905 1.00 0.00 C ATOM 299 ND1 HIS A 17 17.978 -7.972 1.335 1.00 0.00 N ATOM 300 CD2 HIS A 17 20.038 -7.262 1.193 1.00 0.00 C ATOM 301 CE1 HIS A 17 18.750 -8.906 1.862 1.00 0.00 C ATOM 302 NE2 HIS A 17 20.004 -8.500 1.786 1.00 0.00 N ATOM 0 H HIS A 17 15.862 -5.636 1.571 1.00 0.00 H new ATOM 0 HA HIS A 17 18.520 -4.361 1.903 1.00 0.00 H new ATOM 0 HB2 HIS A 17 17.375 -5.983 -0.397 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.960 -5.238 -0.368 1.00 0.00 H new ATOM 0 HD2 HIS A 17 20.920 -6.671 0.994 1.00 0.00 H new ATOM 0 HE1 HIS A 17 18.413 -9.842 2.283 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.816 -9.022 2.115 1.00 0.00 H new ATOM 311 N VAL A 18 17.824 -3.036 -0.553 1.00 0.00 N ATOM 312 CA VAL A 18 17.399 -1.863 -1.311 1.00 0.00 C ATOM 313 C VAL A 18 16.549 -2.243 -2.520 1.00 0.00 C ATOM 314 O VAL A 18 16.938 -3.080 -3.334 1.00 0.00 O ATOM 315 CB VAL A 18 18.604 -1.029 -1.785 1.00 0.00 C ATOM 316 CG1 VAL A 18 18.135 0.243 -2.478 1.00 0.00 C ATOM 317 CG2 VAL A 18 19.522 -0.702 -0.618 1.00 0.00 C ATOM 0 H VAL A 18 18.647 -3.509 -0.925 1.00 0.00 H new ATOM 0 HA VAL A 18 16.794 -1.264 -0.630 1.00 0.00 H new ATOM 0 HB VAL A 18 19.169 -1.620 -2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 18 19.000 0.819 -2.806 1.00 0.00 H new ATOM 0 HG12 VAL A 18 17.524 -0.018 -3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.544 0.840 -1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.367 -0.112 -0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 18 18.971 -0.132 0.130 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.887 -1.627 -0.172 1.00 0.00 H new ATOM 327 N GLY A 19 15.384 -1.611 -2.620 1.00 0.00 N ATOM 328 CA GLY A 19 14.478 -1.860 -3.727 1.00 0.00 C ATOM 329 C GLY A 19 13.800 -3.211 -3.665 1.00 0.00 C ATOM 330 O GLY A 19 13.133 -3.606 -4.620 1.00 0.00 O ATOM 0 H GLY A 19 15.048 -0.923 -1.946 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.716 -1.081 -3.743 1.00 0.00 H new ATOM 0 HA3 GLY A 19 15.032 -1.784 -4.663 1.00 0.00 H new ATOM 334 N LYS A 20 13.979 -3.934 -2.561 1.00 0.00 N ATOM 335 CA LYS A 20 13.343 -5.235 -2.405 1.00 0.00 C ATOM 336 C LYS A 20 11.835 -5.092 -2.560 1.00 0.00 C ATOM 337 O LYS A 20 11.111 -4.927 -1.579 1.00 0.00 O ATOM 338 CB LYS A 20 13.675 -5.835 -1.040 1.00 0.00 C ATOM 339 CG LYS A 20 13.977 -7.316 -1.091 1.00 0.00 C ATOM 340 CD LYS A 20 15.465 -7.542 -1.212 1.00 0.00 C ATOM 341 CE LYS A 20 15.828 -9.010 -1.054 1.00 0.00 C ATOM 342 NZ LYS A 20 17.279 -9.252 -1.281 1.00 0.00 N ATOM 0 H LYS A 20 14.554 -3.643 -1.770 1.00 0.00 H new ATOM 0 HA LYS A 20 13.722 -5.905 -3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.534 -5.311 -0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.837 -5.666 -0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.600 -7.802 -0.191 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.463 -7.770 -1.938 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.809 -7.185 -2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.985 -6.956 -0.454 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.557 -9.345 -0.053 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.246 -9.605 -1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.454 -10.275 -1.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.574 -8.791 -2.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.825 -8.860 -0.487 1.00 0.00 H new ATOM 356 N THR A 21 11.374 -5.143 -3.804 1.00 0.00 N ATOM 357 CA THR A 21 9.957 -4.998 -4.101 1.00 0.00 C ATOM 358 C THR A 21 9.131 -6.055 -3.383 1.00 0.00 C ATOM 359 O THR A 21 8.950 -7.165 -3.882 1.00 0.00 O ATOM 360 CB THR A 21 9.684 -5.087 -5.612 1.00 0.00 C ATOM 361 OG1 THR A 21 10.694 -4.375 -6.337 1.00 0.00 O ATOM 362 CG2 THR A 21 8.318 -4.508 -5.944 1.00 0.00 C ATOM 0 H THR A 21 11.964 -5.284 -4.624 1.00 0.00 H new ATOM 0 HA THR A 21 9.663 -4.010 -3.746 1.00 0.00 H new ATOM 0 HB THR A 21 9.702 -6.138 -5.902 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.513 -4.439 -7.298 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.143 -4.580 -7.018 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.547 -5.066 -5.413 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.283 -3.462 -5.640 1.00 0.00 H new ATOM 370 N THR A 22 8.635 -5.701 -2.204 1.00 0.00 N ATOM 371 CA THR A 22 7.822 -6.616 -1.417 1.00 0.00 C ATOM 372 C THR A 22 6.365 -6.536 -1.839 1.00 0.00 C ATOM 373 O THR A 22 5.640 -5.618 -1.451 1.00 0.00 O ATOM 374 CB THR A 22 7.941 -6.323 0.092 1.00 0.00 C ATOM 375 OG1 THR A 22 9.298 -6.493 0.518 1.00 0.00 O ATOM 376 CG2 THR A 22 7.034 -7.239 0.903 1.00 0.00 C ATOM 0 H THR A 22 8.782 -4.788 -1.773 1.00 0.00 H new ATOM 0 HA THR A 22 8.196 -7.623 -1.602 1.00 0.00 H new ATOM 0 HB THR A 22 7.630 -5.292 0.261 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.885 -5.925 -0.024 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.139 -7.009 1.963 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.998 -7.087 0.600 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.315 -8.277 0.727 1.00 0.00 H new ATOM 384 N GLU A 23 5.958 -7.498 -2.658 1.00 0.00 N ATOM 385 CA GLU A 23 4.602 -7.575 -3.150 1.00 0.00 C ATOM 386 C GLU A 23 3.699 -8.247 -2.133 1.00 0.00 C ATOM 387 O GLU A 23 4.010 -9.326 -1.628 1.00 0.00 O ATOM 388 CB GLU A 23 4.583 -8.356 -4.456 1.00 0.00 C ATOM 389 CG GLU A 23 3.208 -8.440 -5.082 1.00 0.00 C ATOM 390 CD GLU A 23 3.238 -9.026 -6.480 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.384 -10.259 -6.604 1.00 0.00 O ATOM 392 OE2 GLU A 23 3.118 -8.249 -7.451 1.00 0.00 O ATOM 0 H GLU A 23 6.565 -8.244 -2.996 1.00 0.00 H new ATOM 0 HA GLU A 23 4.232 -6.564 -3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.268 -7.887 -5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.954 -9.365 -4.274 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.562 -9.050 -4.450 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.768 -7.443 -5.119 1.00 0.00 H new ATOM 399 N ILE A 24 2.581 -7.606 -1.836 1.00 0.00 N ATOM 400 CA ILE A 24 1.639 -8.145 -0.874 1.00 0.00 C ATOM 401 C ILE A 24 0.207 -8.059 -1.373 1.00 0.00 C ATOM 402 O ILE A 24 -0.375 -6.976 -1.443 1.00 0.00 O ATOM 403 CB ILE A 24 1.737 -7.403 0.463 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.182 -7.407 0.962 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.803 -8.036 1.486 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.378 -6.691 2.281 1.00 0.00 C ATOM 0 H ILE A 24 2.305 -6.714 -2.247 1.00 0.00 H new ATOM 0 HA ILE A 24 1.903 -9.194 -0.737 1.00 0.00 H new ATOM 0 HB ILE A 24 1.429 -6.367 0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.517 -8.439 1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.817 -6.941 0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.882 -7.500 2.432 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.224 -7.983 1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.081 -9.079 1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.429 -6.738 2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.076 -5.649 2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.771 -7.170 3.049 1.00 0.00 H new ATOM 418 N HIS A 25 -0.345 -9.209 -1.736 1.00 0.00 N ATOM 419 CA HIS A 25 -1.721 -9.286 -2.193 1.00 0.00 C ATOM 420 C HIS A 25 -2.637 -9.499 -0.996 1.00 0.00 C ATOM 421 O HIS A 25 -2.816 -10.624 -0.530 1.00 0.00 O ATOM 422 CB HIS A 25 -1.900 -10.432 -3.183 1.00 0.00 C ATOM 423 CG HIS A 25 -0.761 -10.592 -4.140 1.00 0.00 C ATOM 424 ND1 HIS A 25 0.004 -11.737 -4.214 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.266 -9.751 -5.078 1.00 0.00 C ATOM 426 CE1 HIS A 25 0.919 -11.593 -5.155 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.777 -10.397 -5.695 1.00 0.00 N ATOM 0 H HIS A 25 0.144 -10.104 -1.722 1.00 0.00 H new ATOM 0 HA HIS A 25 -1.975 -8.353 -2.696 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.028 -11.361 -2.628 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.817 -10.270 -3.749 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.118 -12.566 -3.632 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.625 -8.757 -5.300 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.658 -12.329 -5.435 1.00 0.00 H new ATOM 436 N LEU A 26 -3.207 -8.414 -0.498 1.00 0.00 N ATOM 437 CA LEU A 26 -4.089 -8.479 0.658 1.00 0.00 C ATOM 438 C LEU A 26 -5.531 -8.658 0.215 1.00 0.00 C ATOM 439 O LEU A 26 -5.928 -8.172 -0.839 1.00 0.00 O ATOM 440 CB LEU A 26 -3.966 -7.205 1.493 1.00 0.00 C ATOM 441 CG LEU A 26 -2.555 -6.878 1.988 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.468 -5.419 2.412 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.168 -7.789 3.144 1.00 0.00 C ATOM 0 H LEU A 26 -3.075 -7.476 -0.876 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.793 -9.335 1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.328 -6.366 0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.625 -7.292 2.357 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.856 -7.046 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.459 -5.201 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.704 -4.778 1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.179 -5.231 3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.162 -7.541 3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.871 -7.652 3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.194 -8.827 2.813 1.00 0.00 H new ATOM 455 N LYS A 27 -6.314 -9.350 1.024 1.00 0.00 N ATOM 456 CA LYS A 27 -7.713 -9.580 0.699 1.00 0.00 C ATOM 457 C LYS A 27 -8.605 -8.653 1.509 1.00 0.00 C ATOM 458 O LYS A 27 -8.187 -8.108 2.532 1.00 0.00 O ATOM 459 CB LYS A 27 -8.095 -11.036 0.952 1.00 0.00 C ATOM 460 CG LYS A 27 -7.048 -12.027 0.471 1.00 0.00 C ATOM 461 CD LYS A 27 -7.549 -13.458 0.565 1.00 0.00 C ATOM 462 CE LYS A 27 -6.501 -14.448 0.087 1.00 0.00 C ATOM 463 NZ LYS A 27 -6.113 -14.206 -1.330 1.00 0.00 N ATOM 0 H LYS A 27 -6.008 -9.761 1.906 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.856 -9.366 -0.360 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.258 -11.181 2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.041 -11.248 0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.780 -11.802 -0.561 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.142 -11.918 1.067 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.819 -13.683 1.597 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.454 -13.568 -0.033 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.618 -14.377 0.722 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.887 -15.462 0.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.572 -15.020 -1.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.969 -14.080 -1.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.527 -13.349 -1.388 1.00 0.00 H new ATOM 477 N GLY A 28 -9.832 -8.480 1.047 1.00 0.00 N ATOM 478 CA GLY A 28 -10.762 -7.604 1.732 1.00 0.00 C ATOM 479 C GLY A 28 -12.086 -7.482 1.005 1.00 0.00 C ATOM 480 O GLY A 28 -12.552 -8.440 0.385 1.00 0.00 O ATOM 0 H GLY A 28 -10.203 -8.930 0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.938 -7.982 2.739 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.316 -6.615 1.836 1.00 0.00 H new ATOM 484 N ASN A 29 -12.690 -6.299 1.078 1.00 0.00 N ATOM 485 CA ASN A 29 -13.971 -6.048 0.425 1.00 0.00 C ATOM 486 C ASN A 29 -14.394 -4.588 0.592 1.00 0.00 C ATOM 487 O ASN A 29 -15.008 -4.226 1.596 1.00 0.00 O ATOM 488 CB ASN A 29 -15.050 -6.973 0.994 1.00 0.00 C ATOM 489 CG ASN A 29 -14.963 -7.105 2.503 1.00 0.00 C ATOM 490 OD1 ASN A 29 -14.276 -7.984 3.021 1.00 0.00 O ATOM 491 ND2 ASN A 29 -15.664 -6.231 3.215 1.00 0.00 N ATOM 0 H ASN A 29 -12.312 -5.498 1.584 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.852 -6.253 -0.639 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -16.033 -6.590 0.722 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.955 -7.959 0.540 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -15.646 -6.272 4.234 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.220 -5.518 2.743 1.00 0.00 H new ATOM 547 N TYR A 34 -14.208 0.043 4.454 1.00 0.00 N ATOM 548 CA TYR A 34 -12.790 0.133 4.789 1.00 0.00 C ATOM 549 C TYR A 34 -11.912 -0.081 3.558 1.00 0.00 C ATOM 550 O TYR A 34 -12.406 -0.329 2.459 1.00 0.00 O ATOM 551 CB TYR A 34 -12.424 -0.881 5.875 1.00 0.00 C ATOM 552 CG TYR A 34 -13.056 -0.594 7.220 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.349 -1.019 7.499 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.363 0.098 8.212 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.936 -0.765 8.724 1.00 0.00 C ATOM 556 CE2 TYR A 34 -12.946 0.354 9.439 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.231 -0.078 9.690 1.00 0.00 C ATOM 558 OH TYR A 34 -14.812 0.175 10.911 1.00 0.00 O ATOM 0 HA TYR A 34 -12.607 1.138 5.168 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.727 -1.875 5.547 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.340 -0.900 5.990 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.905 -1.557 6.746 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.357 0.439 8.019 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.942 -1.103 8.924 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.397 0.891 10.198 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.182 0.667 11.477 1.00 0.00 H new ATOM 568 N MET A 35 -10.604 0.021 3.763 1.00 0.00 N ATOM 569 CA MET A 35 -9.629 -0.136 2.709 1.00 0.00 C ATOM 570 C MET A 35 -8.294 -0.554 3.300 1.00 0.00 C ATOM 571 O MET A 35 -7.982 -0.224 4.442 1.00 0.00 O ATOM 572 CB MET A 35 -9.451 1.190 1.972 1.00 0.00 C ATOM 573 CG MET A 35 -8.044 1.399 1.444 1.00 0.00 C ATOM 574 SD MET A 35 -7.793 3.034 0.725 1.00 0.00 S ATOM 575 CE MET A 35 -9.010 3.026 -0.590 1.00 0.00 C ATOM 0 H MET A 35 -10.194 0.217 4.676 1.00 0.00 H new ATOM 0 HA MET A 35 -9.978 -0.901 2.015 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.154 1.232 1.140 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.704 2.009 2.645 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.332 1.253 2.256 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.829 0.641 0.691 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.501 3.998 -0.637 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.517 2.822 -1.541 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.753 2.253 -0.393 1.00 0.00 H new ATOM 585 N TRP A 36 -7.506 -1.263 2.516 1.00 0.00 N ATOM 586 CA TRP A 36 -6.194 -1.694 2.955 1.00 0.00 C ATOM 587 C TRP A 36 -5.122 -0.879 2.247 1.00 0.00 C ATOM 588 O TRP A 36 -4.595 -1.290 1.213 1.00 0.00 O ATOM 589 CB TRP A 36 -5.991 -3.174 2.675 1.00 0.00 C ATOM 590 CG TRP A 36 -6.200 -4.047 3.870 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.133 -5.034 4.014 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.462 -4.010 5.092 1.00 0.00 C ATOM 593 NE1 TRP A 36 -7.018 -5.612 5.254 1.00 0.00 N ATOM 594 CE2 TRP A 36 -5.999 -5.001 5.935 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.397 -3.235 5.554 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.506 -5.234 7.214 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.909 -3.467 6.822 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.463 -4.459 7.641 1.00 0.00 C ATOM 0 H TRP A 36 -7.752 -1.553 1.570 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.118 -1.535 4.031 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.677 -3.483 1.886 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.980 -3.328 2.296 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.855 -5.318 3.263 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.597 -6.372 5.610 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.963 -2.468 4.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.931 -5.999 7.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.085 -2.874 7.190 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.058 -4.615 8.630 1.00 0.00 H new ATOM 609 N THR A 37 -4.810 0.283 2.806 1.00 0.00 N ATOM 610 CA THR A 37 -3.812 1.165 2.217 1.00 0.00 C ATOM 611 C THR A 37 -2.792 1.597 3.274 1.00 0.00 C ATOM 612 O THR A 37 -2.731 1.004 4.349 1.00 0.00 O ATOM 613 CB THR A 37 -4.480 2.401 1.586 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.536 3.112 0.778 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.025 3.322 2.663 1.00 0.00 C ATOM 0 H THR A 37 -5.233 0.636 3.665 1.00 0.00 H new ATOM 0 HA THR A 37 -3.293 0.616 1.432 1.00 0.00 H new ATOM 0 HB THR A 37 -5.307 2.062 0.961 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.772 3.010 -0.168 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.493 4.189 2.197 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.764 2.787 3.259 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.209 3.652 3.307 1.00 0.00 H new ATOM 623 N ARG A 38 -1.993 2.627 2.982 1.00 0.00 N ATOM 624 CA ARG A 38 -0.992 3.091 3.938 1.00 0.00 C ATOM 625 C ARG A 38 -1.577 4.151 4.872 1.00 0.00 C ATOM 626 O ARG A 38 -2.497 4.880 4.502 1.00 0.00 O ATOM 627 CB ARG A 38 0.244 3.636 3.212 1.00 0.00 C ATOM 628 CG ARG A 38 1.346 2.618 3.029 1.00 0.00 C ATOM 629 CD ARG A 38 2.405 3.114 2.059 1.00 0.00 C ATOM 630 NE ARG A 38 2.823 4.490 2.308 1.00 0.00 N ATOM 631 CZ ARG A 38 4.027 4.815 2.776 1.00 0.00 C ATOM 632 NH1 ARG A 38 4.882 3.864 3.126 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.374 6.087 2.899 1.00 0.00 N ATOM 0 H ARG A 38 -2.020 3.147 2.105 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.686 2.237 4.542 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.057 4.010 2.234 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.637 4.485 3.771 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.807 2.401 3.993 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.922 1.684 2.661 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.276 2.461 2.119 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.019 3.038 1.042 1.00 0.00 H new ATOM 0 HE ARG A 38 2.160 5.240 2.114 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.618 2.883 3.037 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.804 4.114 3.484 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.718 6.822 2.635 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.297 6.331 3.258 1.00 0.00 H new ATOM 647 N VAL A 39 -1.033 4.226 6.086 1.00 0.00 N ATOM 648 CA VAL A 39 -1.505 5.180 7.086 1.00 0.00 C ATOM 649 C VAL A 39 -1.097 6.606 6.734 1.00 0.00 C ATOM 650 O VAL A 39 0.055 6.865 6.389 1.00 0.00 O ATOM 651 CB VAL A 39 -0.957 4.841 8.489 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.607 5.724 9.544 1.00 0.00 C ATOM 653 CG2 VAL A 39 -1.164 3.368 8.814 1.00 0.00 C ATOM 0 H VAL A 39 -0.263 3.635 6.400 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.593 5.108 7.094 1.00 0.00 H new ATOM 0 HB VAL A 39 0.115 5.037 8.491 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.208 5.471 10.526 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.394 6.770 9.325 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.685 5.565 9.538 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.769 3.156 9.808 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.229 3.136 8.789 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.642 2.756 8.078 1.00 0.00 H new ATOM 663 N GLY A 40 -2.048 7.530 6.835 1.00 0.00 N ATOM 664 CA GLY A 40 -1.770 8.921 6.525 1.00 0.00 C ATOM 665 C GLY A 40 -1.845 9.209 5.039 1.00 0.00 C ATOM 666 O GLY A 40 -1.575 10.327 4.602 1.00 0.00 O ATOM 0 H GLY A 40 -3.007 7.340 7.126 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.482 9.557 7.052 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.777 9.181 6.893 1.00 0.00 H new ATOM 670 N PHE A 41 -2.216 8.195 4.264 1.00 0.00 N ATOM 671 CA PHE A 41 -2.328 8.336 2.818 1.00 0.00 C ATOM 672 C PHE A 41 -3.674 7.826 2.338 1.00 0.00 C ATOM 673 O PHE A 41 -3.976 7.854 1.145 1.00 0.00 O ATOM 674 CB PHE A 41 -1.200 7.571 2.134 1.00 0.00 C ATOM 675 CG PHE A 41 0.151 7.945 2.663 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.757 9.129 2.279 1.00 0.00 C ATOM 677 CD2 PHE A 41 0.802 7.121 3.559 1.00 0.00 C ATOM 678 CE1 PHE A 41 1.995 9.483 2.782 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.040 7.465 4.064 1.00 0.00 C ATOM 680 CZ PHE A 41 2.638 8.649 3.676 1.00 0.00 C ATOM 0 H PHE A 41 -2.445 7.265 4.615 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.248 9.392 2.561 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.356 6.501 2.270 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.233 7.764 1.062 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.257 9.783 1.579 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.337 6.196 3.869 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.458 10.410 2.477 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.541 6.810 4.761 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.606 8.922 4.071 1.00 0.00 H new ATOM 690 N VAL A 42 -4.471 7.348 3.281 1.00 0.00 N ATOM 691 CA VAL A 42 -5.796 6.831 2.979 1.00 0.00 C ATOM 692 C VAL A 42 -6.635 7.867 2.238 1.00 0.00 C ATOM 693 O VAL A 42 -7.042 8.878 2.812 1.00 0.00 O ATOM 694 CB VAL A 42 -6.529 6.411 4.264 1.00 0.00 C ATOM 695 CG1 VAL A 42 -7.804 5.659 3.921 1.00 0.00 C ATOM 696 CG2 VAL A 42 -5.612 5.577 5.147 1.00 0.00 C ATOM 0 H VAL A 42 -4.220 7.308 4.269 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.664 5.958 2.340 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.808 7.305 4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.313 5.368 4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.458 6.302 3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.557 4.767 3.345 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.144 5.287 6.053 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.301 4.683 4.607 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.733 6.163 5.415 1.00 0.00 H new ATOM 706 N GLY A 43 -6.886 7.609 0.959 1.00 0.00 N ATOM 707 CA GLY A 43 -7.669 8.526 0.154 1.00 0.00 C ATOM 708 C GLY A 43 -6.818 9.270 -0.857 1.00 0.00 C ATOM 709 O GLY A 43 -7.303 9.670 -1.916 1.00 0.00 O ATOM 0 H GLY A 43 -6.560 6.778 0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.450 7.973 -0.368 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.168 9.244 0.805 1.00 0.00 H new ATOM 763 N LEU A 47 0.688 6.678 -1.798 1.00 0.00 N ATOM 764 CA LEU A 47 1.057 6.418 -0.415 1.00 0.00 C ATOM 765 C LEU A 47 2.541 6.699 -0.218 1.00 0.00 C ATOM 766 O LEU A 47 2.935 7.453 0.672 1.00 0.00 O ATOM 767 CB LEU A 47 0.743 4.970 -0.054 1.00 0.00 C ATOM 768 CG LEU A 47 -0.507 4.385 -0.719 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.682 2.924 -0.331 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.742 5.191 -0.345 1.00 0.00 C ATOM 0 HA LEU A 47 0.481 7.074 0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.600 4.352 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.626 4.900 1.027 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.379 4.441 -1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.575 2.524 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.190 2.355 -0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.787 2.845 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.618 4.759 -0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.876 5.170 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.617 6.222 -0.675 1.00 0.00 H new ATOM 782 N SER A 48 3.351 6.067 -1.059 1.00 0.00 N ATOM 783 CA SER A 48 4.802 6.237 -1.033 1.00 0.00 C ATOM 784 C SER A 48 5.195 7.715 -1.038 1.00 0.00 C ATOM 785 O SER A 48 4.341 8.595 -1.155 1.00 0.00 O ATOM 786 CB SER A 48 5.423 5.548 -2.247 1.00 0.00 C ATOM 787 OG SER A 48 6.836 5.622 -2.213 1.00 0.00 O ATOM 0 H SER A 48 3.023 5.422 -1.778 1.00 0.00 H new ATOM 0 HA SER A 48 5.174 5.787 -0.113 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.112 4.504 -2.274 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.054 6.014 -3.161 1.00 0.00 H new ATOM 0 HG SER A 48 7.153 5.407 -1.311 1.00 0.00 H new ATOM 793 N ASP A 49 6.496 7.979 -0.927 1.00 0.00 N ATOM 794 CA ASP A 49 7.001 9.350 -0.917 1.00 0.00 C ATOM 795 C ASP A 49 8.453 9.409 -1.372 1.00 0.00 C ATOM 796 O ASP A 49 8.740 9.630 -2.549 1.00 0.00 O ATOM 797 CB ASP A 49 6.879 9.959 0.481 1.00 0.00 C ATOM 798 CG ASP A 49 5.447 10.287 0.854 1.00 0.00 C ATOM 799 OD1 ASP A 49 4.993 11.407 0.539 1.00 0.00 O ATOM 800 OD2 ASP A 49 4.778 9.423 1.459 1.00 0.00 O ATOM 0 H ASP A 49 7.218 7.263 -0.843 1.00 0.00 H new ATOM 0 HA ASP A 49 6.394 9.926 -1.616 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.290 9.264 1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.480 10.867 0.531 1.00 0.00 H new ATOM 805 N GLU A 50 9.368 9.214 -0.427 1.00 0.00 N ATOM 806 CA GLU A 50 10.792 9.255 -0.715 1.00 0.00 C ATOM 807 C GLU A 50 11.530 8.118 -0.015 1.00 0.00 C ATOM 808 O GLU A 50 12.506 7.580 -0.538 1.00 0.00 O ATOM 809 CB GLU A 50 11.354 10.599 -0.261 1.00 0.00 C ATOM 810 CG GLU A 50 11.316 10.795 1.246 1.00 0.00 C ATOM 811 CD GLU A 50 11.813 12.163 1.669 1.00 0.00 C ATOM 812 OE1 GLU A 50 10.988 13.099 1.741 1.00 0.00 O ATOM 813 OE2 GLU A 50 13.027 12.300 1.930 1.00 0.00 O ATOM 0 H GLU A 50 9.143 9.025 0.550 1.00 0.00 H new ATOM 0 HA GLU A 50 10.936 9.134 -1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.385 10.688 -0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.789 11.400 -0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.294 10.658 1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.925 10.028 1.724 1.00 0.00 H new ATOM 820 N ILE A 51 11.052 7.761 1.172 1.00 0.00 N ATOM 821 CA ILE A 51 11.661 6.697 1.960 1.00 0.00 C ATOM 822 C ILE A 51 11.422 5.334 1.329 1.00 0.00 C ATOM 823 O ILE A 51 12.321 4.751 0.728 1.00 0.00 O ATOM 824 CB ILE A 51 11.096 6.689 3.390 1.00 0.00 C ATOM 825 CG1 ILE A 51 11.124 8.100 3.977 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.873 5.721 4.269 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.521 8.640 4.206 1.00 0.00 C ATOM 0 H ILE A 51 10.240 8.196 1.611 1.00 0.00 H new ATOM 0 HA ILE A 51 12.733 6.892 1.989 1.00 0.00 H new ATOM 0 HB ILE A 51 10.060 6.352 3.353 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.590 8.773 3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.585 8.100 4.924 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.457 5.731 5.277 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.800 4.715 3.856 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.920 6.023 4.306 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.459 9.645 4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 51 13.053 7.990 4.901 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.058 8.674 3.258 1.00 0.00 H new ATOM 839 N LEU A 52 10.211 4.820 1.495 1.00 0.00 N ATOM 840 CA LEU A 52 9.847 3.526 0.931 1.00 0.00 C ATOM 841 C LEU A 52 9.029 3.683 -0.344 1.00 0.00 C ATOM 842 O LEU A 52 7.901 4.169 -0.304 1.00 0.00 O ATOM 843 CB LEU A 52 9.042 2.709 1.943 1.00 0.00 C ATOM 844 CG LEU A 52 9.866 1.777 2.828 1.00 0.00 C ATOM 845 CD1 LEU A 52 9.000 1.189 3.931 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.497 0.671 1.998 1.00 0.00 C ATOM 0 H LEU A 52 9.463 5.279 2.016 1.00 0.00 H new ATOM 0 HA LEU A 52 10.774 3.006 0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.489 3.396 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.306 2.114 1.402 1.00 0.00 H new ATOM 0 HG LEU A 52 10.665 2.357 3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.603 0.527 4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.595 1.994 4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.180 0.624 3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.080 0.017 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.714 0.092 1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 52 11.150 1.110 1.243 1.00 0.00 H new ATOM 858 N GLU A 53 9.611 3.295 -1.476 1.00 0.00 N ATOM 859 CA GLU A 53 8.914 3.359 -2.748 1.00 0.00 C ATOM 860 C GLU A 53 7.748 2.383 -2.747 1.00 0.00 C ATOM 861 O GLU A 53 7.826 1.300 -3.325 1.00 0.00 O ATOM 862 CB GLU A 53 9.865 3.037 -3.891 1.00 0.00 C ATOM 863 CG GLU A 53 9.832 4.078 -4.982 1.00 0.00 C ATOM 864 CD GLU A 53 10.726 3.733 -6.156 1.00 0.00 C ATOM 865 OE1 GLU A 53 11.912 4.127 -6.134 1.00 0.00 O ATOM 866 OE2 GLU A 53 10.243 3.067 -7.096 1.00 0.00 O ATOM 0 H GLU A 53 10.563 2.934 -1.534 1.00 0.00 H new ATOM 0 HA GLU A 53 8.533 4.370 -2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.880 2.955 -3.502 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.606 2.066 -4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.807 4.195 -5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.138 5.039 -4.569 1.00 0.00 H new ATOM 873 N VAL A 54 6.668 2.780 -2.096 1.00 0.00 N ATOM 874 CA VAL A 54 5.492 1.936 -1.986 1.00 0.00 C ATOM 875 C VAL A 54 4.554 2.095 -3.172 1.00 0.00 C ATOM 876 O VAL A 54 3.667 2.948 -3.166 1.00 0.00 O ATOM 877 CB VAL A 54 4.699 2.226 -0.700 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.677 1.128 -0.458 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.635 2.375 0.489 1.00 0.00 C ATOM 0 H VAL A 54 6.582 3.685 -1.634 1.00 0.00 H new ATOM 0 HA VAL A 54 5.869 0.913 -1.963 1.00 0.00 H new ATOM 0 HB VAL A 54 4.167 3.170 -0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.121 1.343 0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.987 1.081 -1.301 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.189 0.171 -0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.052 2.580 1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.200 1.453 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.325 3.200 0.308 1.00 0.00 H new ATOM 889 N VAL A 55 4.760 1.274 -4.190 1.00 0.00 N ATOM 890 CA VAL A 55 3.906 1.298 -5.361 1.00 0.00 C ATOM 891 C VAL A 55 2.704 0.405 -5.116 1.00 0.00 C ATOM 892 O VAL A 55 2.707 -0.778 -5.458 1.00 0.00 O ATOM 893 CB VAL A 55 4.634 0.819 -6.621 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.753 1.022 -7.843 1.00 0.00 C ATOM 895 CG2 VAL A 55 5.963 1.539 -6.779 1.00 0.00 C ATOM 0 H VAL A 55 5.511 0.585 -4.226 1.00 0.00 H new ATOM 0 HA VAL A 55 3.600 2.331 -5.526 1.00 0.00 H new ATOM 0 HB VAL A 55 4.843 -0.246 -6.522 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.280 0.678 -8.733 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.831 0.453 -7.725 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.515 2.081 -7.948 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.464 1.184 -7.680 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.788 2.612 -6.859 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.591 1.338 -5.911 1.00 0.00 H new ATOM 905 N CYS A 56 1.688 0.983 -4.507 1.00 0.00 N ATOM 906 CA CYS A 56 0.478 0.248 -4.175 1.00 0.00 C ATOM 907 C CYS A 56 -0.640 0.535 -5.161 1.00 0.00 C ATOM 908 O CYS A 56 -1.010 1.687 -5.387 1.00 0.00 O ATOM 909 CB CYS A 56 0.020 0.594 -2.759 1.00 0.00 C ATOM 910 SG CYS A 56 -1.590 -0.099 -2.314 1.00 0.00 S ATOM 0 H CYS A 56 1.674 1.964 -4.230 1.00 0.00 H new ATOM 0 HA CYS A 56 0.714 -0.815 -4.231 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.766 0.236 -2.050 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.022 1.678 -2.657 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.890 0.247 -1.097 1.00 0.00 H new ATOM 916 N LYS A 57 -1.172 -0.528 -5.744 1.00 0.00 N ATOM 917 CA LYS A 57 -2.260 -0.414 -6.696 1.00 0.00 C ATOM 918 C LYS A 57 -3.498 -1.094 -6.137 1.00 0.00 C ATOM 919 O LYS A 57 -3.551 -2.321 -6.022 1.00 0.00 O ATOM 920 CB LYS A 57 -1.874 -1.047 -8.028 1.00 0.00 C ATOM 921 CG LYS A 57 -0.423 -0.809 -8.413 1.00 0.00 C ATOM 922 CD LYS A 57 -0.047 -1.564 -9.678 1.00 0.00 C ATOM 923 CE LYS A 57 -0.754 -0.999 -10.900 1.00 0.00 C ATOM 924 NZ LYS A 57 -0.408 -1.747 -12.139 1.00 0.00 N ATOM 0 H LYS A 57 -0.864 -1.485 -5.571 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.471 0.642 -6.865 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.057 -2.120 -7.978 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.520 -0.649 -8.811 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.256 0.258 -8.562 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.227 -1.122 -7.596 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.032 -1.513 -9.825 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.304 -2.617 -9.563 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.832 -1.035 -10.744 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.484 0.050 -11.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.911 -1.330 -12.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.618 -1.692 -12.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.689 -2.743 -12.033 1.00 0.00 H new ATOM 938 N TYR A 58 -4.485 -0.291 -5.776 1.00 0.00 N ATOM 939 CA TYR A 58 -5.720 -0.815 -5.223 1.00 0.00 C ATOM 940 C TYR A 58 -6.623 -1.328 -6.338 1.00 0.00 C ATOM 941 O TYR A 58 -7.005 -0.583 -7.240 1.00 0.00 O ATOM 942 CB TYR A 58 -6.446 0.260 -4.398 1.00 0.00 C ATOM 943 CG TYR A 58 -7.600 -0.263 -3.566 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.553 -1.125 -4.109 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.741 0.111 -2.234 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.605 -1.600 -3.357 1.00 0.00 C ATOM 947 CE2 TYR A 58 -8.796 -0.356 -1.475 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.723 -1.213 -2.039 1.00 0.00 C ATOM 949 OH TYR A 58 -10.773 -1.679 -1.282 1.00 0.00 O ATOM 0 H TYR A 58 -4.454 0.725 -5.856 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.475 -1.646 -4.562 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.726 0.741 -3.736 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.820 1.028 -5.074 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.464 -1.427 -5.142 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.016 0.775 -1.787 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.330 -2.269 -3.796 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.897 -0.053 -0.443 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.710 -1.313 -0.375 1.00 0.00 H new ATOM 959 N THR A 59 -6.959 -2.610 -6.262 1.00 0.00 N ATOM 960 CA THR A 59 -7.830 -3.238 -7.244 1.00 0.00 C ATOM 961 C THR A 59 -9.081 -3.780 -6.558 1.00 0.00 C ATOM 962 O THR A 59 -8.992 -4.632 -5.675 1.00 0.00 O ATOM 963 CB THR A 59 -7.110 -4.385 -7.977 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.703 -4.123 -8.033 1.00 0.00 O ATOM 965 CG2 THR A 59 -7.651 -4.546 -9.387 1.00 0.00 C ATOM 0 H THR A 59 -6.638 -3.237 -5.525 1.00 0.00 H new ATOM 0 HA THR A 59 -8.109 -2.482 -7.978 1.00 0.00 H new ATOM 0 HB THR A 59 -7.288 -5.308 -7.425 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.252 -4.858 -8.499 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.128 -5.362 -9.886 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.717 -4.770 -9.344 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.497 -3.622 -9.944 1.00 0.00 H new ATOM 973 N PRO A 60 -10.265 -3.279 -6.944 1.00 0.00 N ATOM 974 CA PRO A 60 -11.532 -3.695 -6.364 1.00 0.00 C ATOM 975 C PRO A 60 -12.185 -4.841 -7.128 1.00 0.00 C ATOM 976 O PRO A 60 -11.893 -5.062 -8.302 1.00 0.00 O ATOM 977 CB PRO A 60 -12.364 -2.424 -6.480 1.00 0.00 C ATOM 978 CG PRO A 60 -11.858 -1.739 -7.712 1.00 0.00 C ATOM 979 CD PRO A 60 -10.468 -2.255 -7.979 1.00 0.00 C ATOM 0 HA PRO A 60 -11.425 -4.078 -5.349 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.426 -2.654 -6.565 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.244 -1.792 -5.600 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.512 -1.943 -8.560 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.845 -0.658 -7.572 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.384 -2.677 -8.980 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.726 -1.460 -7.905 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.448 -6.919 -4.335 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.399 -7.003 -3.335 1.00 0.00 C ATOM 1137 C ILE A 73 -6.612 -5.702 -3.261 1.00 0.00 C ATOM 1138 O ILE A 73 -7.050 -4.665 -3.761 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.410 -8.150 -3.617 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -5.789 -8.017 -5.004 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.076 -9.503 -3.451 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.416 -8.648 -5.089 1.00 0.00 C ATOM 0 HA ILE A 73 -7.901 -7.196 -2.387 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.608 -8.078 -2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.446 -8.484 -5.738 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.717 -6.961 -5.266 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.353 -10.292 -3.657 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.444 -9.605 -2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.911 -9.585 -4.147 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.021 -8.525 -6.097 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.749 -8.164 -4.376 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.489 -9.710 -4.855 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.446 -5.769 -2.631 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.582 -4.613 -2.479 1.00 0.00 C ATOM 1156 C TYR A 74 -3.135 -5.001 -2.773 1.00 0.00 C ATOM 1157 O TYR A 74 -2.490 -5.667 -1.964 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.708 -4.064 -1.057 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.107 -4.188 -0.484 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.543 -5.378 0.090 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -6.991 -3.119 -0.515 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -7.815 -5.496 0.614 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.266 -3.234 0.010 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.671 -4.422 0.573 1.00 0.00 C ATOM 1165 OH TYR A 74 -9.939 -4.534 1.095 1.00 0.00 O ATOM 0 H TYR A 74 -5.077 -6.624 -2.214 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.884 -3.840 -3.186 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.010 -4.593 -0.408 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.414 -3.014 -1.053 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.874 -6.225 0.126 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.679 -2.183 -0.955 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.136 -6.429 1.054 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.942 -2.392 -0.022 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.414 -3.684 0.986 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.630 -4.587 -3.934 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.265 -4.914 -4.331 1.00 0.00 C ATOM 1177 C VAL A 75 -0.290 -3.846 -3.859 1.00 0.00 C ATOM 1178 O VAL A 75 -0.221 -2.761 -4.428 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.143 -5.069 -5.861 1.00 0.00 C ATOM 1180 CG1 VAL A 75 0.310 -5.261 -6.269 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -1.995 -6.230 -6.347 1.00 0.00 C ATOM 0 H VAL A 75 -3.145 -4.026 -4.613 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.017 -5.865 -3.860 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.508 -4.155 -6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.373 -5.368 -7.352 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.893 -4.395 -5.956 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.706 -6.157 -5.792 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.897 -6.325 -7.428 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.661 -7.151 -5.870 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.039 -6.047 -6.092 1.00 0.00 H new ATOM 1191 N VAL A 76 0.461 -4.161 -2.813 1.00 0.00 N ATOM 1192 CA VAL A 76 1.429 -3.219 -2.264 1.00 0.00 C ATOM 1193 C VAL A 76 2.865 -3.621 -2.592 1.00 0.00 C ATOM 1194 O VAL A 76 3.317 -4.705 -2.222 1.00 0.00 O ATOM 1195 CB VAL A 76 1.289 -3.096 -0.735 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.215 -2.014 -0.200 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.156 -2.812 -0.347 1.00 0.00 C ATOM 0 H VAL A 76 0.420 -5.058 -2.328 1.00 0.00 H new ATOM 0 HA VAL A 76 1.214 -2.257 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 76 1.579 -4.046 -0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.103 -1.941 0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.247 -2.267 -0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.959 -1.058 -0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.232 -2.729 0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.479 -1.878 -0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.793 -3.626 -0.694 1.00 0.00 H new ATOM 1207 N LEU A 77 3.575 -2.738 -3.295 1.00 0.00 N ATOM 1208 CA LEU A 77 4.970 -2.977 -3.652 1.00 0.00 C ATOM 1209 C LEU A 77 5.869 -2.020 -2.891 1.00 0.00 C ATOM 1210 O LEU A 77 6.024 -0.866 -3.276 1.00 0.00 O ATOM 1211 CB LEU A 77 5.190 -2.801 -5.154 1.00 0.00 C ATOM 1212 CG LEU A 77 4.524 -3.861 -6.033 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.790 -3.580 -7.504 1.00 0.00 C ATOM 1214 CD2 LEU A 77 5.014 -5.250 -5.656 1.00 0.00 C ATOM 0 H LEU A 77 3.204 -1.848 -3.629 1.00 0.00 H new ATOM 0 HA LEU A 77 5.218 -4.004 -3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.817 -1.820 -5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.262 -2.807 -5.352 1.00 0.00 H new ATOM 0 HG LEU A 77 3.448 -3.820 -5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.308 -4.345 -8.113 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.388 -2.601 -7.766 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.864 -3.593 -7.688 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.530 -5.992 -6.291 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.094 -5.304 -5.793 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.770 -5.451 -4.613 1.00 0.00 H new ATOM 1226 N VAL A 78 6.471 -2.503 -1.818 1.00 0.00 N ATOM 1227 CA VAL A 78 7.338 -1.659 -1.009 1.00 0.00 C ATOM 1228 C VAL A 78 8.796 -1.813 -1.428 1.00 0.00 C ATOM 1229 O VAL A 78 9.450 -2.801 -1.098 1.00 0.00 O ATOM 1230 CB VAL A 78 7.192 -1.968 0.492 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.939 -0.685 1.279 1.00 0.00 C ATOM 1232 CG2 VAL A 78 6.076 -2.973 0.733 1.00 0.00 C ATOM 0 H VAL A 78 6.378 -3.464 -1.488 1.00 0.00 H new ATOM 0 HA VAL A 78 7.027 -0.628 -1.178 1.00 0.00 H new ATOM 0 HB VAL A 78 8.125 -2.410 0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.838 -0.922 2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.776 -0.001 1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.022 -0.215 0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.993 -3.175 1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.134 -2.566 0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.301 -3.900 0.205 1.00 0.00 H new ATOM 1242 N LYS A 79 9.288 -0.825 -2.170 1.00 0.00 N ATOM 1243 CA LYS A 79 10.659 -0.828 -2.653 1.00 0.00 C ATOM 1244 C LYS A 79 11.531 0.137 -1.848 1.00 0.00 C ATOM 1245 O LYS A 79 11.451 1.349 -2.032 1.00 0.00 O ATOM 1246 CB LYS A 79 10.686 -0.434 -4.129 1.00 0.00 C ATOM 1247 CG LYS A 79 10.589 -1.617 -5.079 1.00 0.00 C ATOM 1248 CD LYS A 79 10.776 -1.189 -6.526 1.00 0.00 C ATOM 1249 CE LYS A 79 9.652 -0.277 -6.993 1.00 0.00 C ATOM 1250 NZ LYS A 79 9.850 0.174 -8.399 1.00 0.00 N ATOM 0 H LYS A 79 8.749 -0.006 -2.450 1.00 0.00 H new ATOM 0 HA LYS A 79 11.060 -1.834 -2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.861 0.250 -4.329 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.608 0.111 -4.334 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.345 -2.358 -4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.618 -2.098 -4.964 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.731 -0.674 -6.633 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.817 -2.072 -7.164 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.700 -0.802 -6.911 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.594 0.592 -6.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.014 1.201 -8.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.673 -0.314 -8.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.002 -0.050 -8.958 1.00 0.00 H new ATOM 1264 N PRO A 80 12.374 -0.390 -0.941 1.00 0.00 N ATOM 1265 CA PRO A 80 13.261 0.439 -0.117 1.00 0.00 C ATOM 1266 C PRO A 80 14.083 1.419 -0.950 1.00 0.00 C ATOM 1267 O PRO A 80 15.113 1.057 -1.518 1.00 0.00 O ATOM 1268 CB PRO A 80 14.174 -0.581 0.565 1.00 0.00 C ATOM 1269 CG PRO A 80 13.395 -1.850 0.578 1.00 0.00 C ATOM 1270 CD PRO A 80 12.523 -1.825 -0.644 1.00 0.00 C ATOM 0 HA PRO A 80 12.701 1.061 0.581 1.00 0.00 H new ATOM 0 HB2 PRO A 80 15.110 -0.699 0.020 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.431 -0.266 1.576 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.060 -2.714 0.563 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.793 -1.927 1.483 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.983 -2.360 -1.475 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.558 -2.297 -0.457 1.00 0.00 H new ATOM 1278 N ARG A 81 13.614 2.662 -1.023 1.00 0.00 N ATOM 1279 CA ARG A 81 14.299 3.701 -1.784 1.00 0.00 C ATOM 1280 C ARG A 81 15.610 4.102 -1.116 1.00 0.00 C ATOM 1281 O ARG A 81 16.624 4.298 -1.786 1.00 0.00 O ATOM 1282 CB ARG A 81 13.396 4.924 -1.932 1.00 0.00 C ATOM 1283 CG ARG A 81 12.975 5.194 -3.363 1.00 0.00 C ATOM 1284 CD ARG A 81 12.028 6.379 -3.448 1.00 0.00 C ATOM 1285 NE ARG A 81 11.683 6.704 -4.829 1.00 0.00 N ATOM 1286 CZ ARG A 81 10.610 7.406 -5.178 1.00 0.00 C ATOM 1287 NH1 ARG A 81 9.774 7.850 -4.249 1.00 0.00 N ATOM 1288 NH2 ARG A 81 10.370 7.663 -6.456 1.00 0.00 N ATOM 0 H ARG A 81 12.759 2.974 -0.562 1.00 0.00 H new ATOM 0 HA ARG A 81 14.529 3.299 -2.771 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.505 4.785 -1.320 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.916 5.799 -1.543 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.857 5.387 -3.973 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.490 4.309 -3.774 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.119 6.157 -2.889 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.489 7.246 -2.975 1.00 0.00 H new ATOM 0 HE ARG A 81 12.302 6.373 -5.569 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.954 7.653 -3.265 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.951 8.389 -4.519 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.009 7.322 -7.174 1.00 0.00 H new ATOM 0 HH22 ARG A 81 9.546 8.202 -6.722 1.00 0.00 H new ATOM 1302 N LYS A 82 15.584 4.225 0.208 1.00 0.00 N ATOM 1303 CA LYS A 82 16.771 4.608 0.962 1.00 0.00 C ATOM 1304 C LYS A 82 17.219 3.483 1.889 1.00 0.00 C ATOM 1305 O LYS A 82 16.477 2.531 2.131 1.00 0.00 O ATOM 1306 CB LYS A 82 16.495 5.874 1.778 1.00 0.00 C ATOM 1307 CG LYS A 82 15.944 7.026 0.952 1.00 0.00 C ATOM 1308 CD LYS A 82 15.826 8.297 1.776 1.00 0.00 C ATOM 1309 CE LYS A 82 15.313 9.457 0.939 1.00 0.00 C ATOM 1310 NZ LYS A 82 15.257 10.723 1.720 1.00 0.00 N ATOM 0 H LYS A 82 14.754 4.065 0.779 1.00 0.00 H new ATOM 0 HA LYS A 82 17.572 4.806 0.250 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.787 5.637 2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.419 6.194 2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.595 7.205 0.096 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.965 6.756 0.557 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.152 8.126 2.615 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.799 8.552 2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.960 9.593 0.072 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.319 9.220 0.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.333 11.178 1.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.388 10.514 2.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.011 11.363 1.399 1.00 0.00 H new ATOM 1324 N ARG A 83 18.443 3.594 2.397 1.00 0.00 N ATOM 1325 CA ARG A 83 18.993 2.594 3.302 1.00 0.00 C ATOM 1326 C ARG A 83 18.908 3.068 4.750 1.00 0.00 C ATOM 1327 O ARG A 83 19.486 4.093 5.111 1.00 0.00 O ATOM 1328 CB ARG A 83 20.447 2.309 2.934 1.00 0.00 C ATOM 1329 CG ARG A 83 20.658 2.105 1.443 1.00 0.00 C ATOM 1330 CD ARG A 83 22.096 2.389 1.043 1.00 0.00 C ATOM 1331 NE ARG A 83 22.510 3.739 1.416 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.739 4.212 1.227 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.670 3.447 0.674 1.00 0.00 N ATOM 1334 NH2 ARG A 83 24.037 5.451 1.593 1.00 0.00 N ATOM 0 H ARG A 83 19.074 4.370 2.195 1.00 0.00 H new ATOM 0 HA ARG A 83 18.407 1.680 3.204 1.00 0.00 H new ATOM 0 HB2 ARG A 83 21.070 3.137 3.273 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.782 1.419 3.467 1.00 0.00 H new ATOM 0 HG2 ARG A 83 20.399 1.081 1.174 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.988 2.760 0.886 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.755 1.663 1.519 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.205 2.261 -0.034 1.00 0.00 H new ATOM 0 HE ARG A 83 21.818 4.353 1.845 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.445 2.493 0.392 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.611 3.813 0.530 1.00 0.00 H new ATOM 0 HH21 ARG A 83 23.324 6.042 2.020 1.00 0.00 H new ATOM 0 HH22 ARG A 83 24.980 5.813 1.448 1.00 0.00 H new ATOM 1348 N GLY A 84 18.183 2.319 5.576 1.00 0.00 N ATOM 1349 CA GLY A 84 18.039 2.686 6.974 1.00 0.00 C ATOM 1350 C GLY A 84 16.789 2.102 7.597 1.00 0.00 C ATOM 1351 O GLY A 84 16.325 1.037 7.191 1.00 0.00 O ATOM 0 H GLY A 84 17.694 1.467 5.303 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.913 2.343 7.529 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.012 3.772 7.061 1.00 0.00 H new ATOM 1355 N HIS A 85 16.239 2.799 8.586 1.00 0.00 N ATOM 1356 CA HIS A 85 15.033 2.336 9.262 1.00 0.00 C ATOM 1357 C HIS A 85 13.785 2.804 8.529 1.00 0.00 C ATOM 1358 O HIS A 85 13.376 3.960 8.643 1.00 0.00 O ATOM 1359 CB HIS A 85 15.003 2.831 10.703 1.00 0.00 C ATOM 1360 CG HIS A 85 13.839 2.314 11.491 1.00 0.00 C ATOM 1361 ND1 HIS A 85 12.718 3.070 11.765 1.00 0.00 N ATOM 1362 CD2 HIS A 85 13.626 1.107 12.069 1.00 0.00 C ATOM 1363 CE1 HIS A 85 11.867 2.351 12.476 1.00 0.00 C ATOM 1364 NE2 HIS A 85 12.395 1.157 12.674 1.00 0.00 N ATOM 0 H HIS A 85 16.608 3.683 8.936 1.00 0.00 H new ATOM 0 HA HIS A 85 15.048 1.246 9.262 1.00 0.00 H new ATOM 0 HB2 HIS A 85 15.927 2.535 11.199 1.00 0.00 H new ATOM 0 HB3 HIS A 85 14.976 3.921 10.703 1.00 0.00 H new ATOM 0 HD2 HIS A 85 14.299 0.263 12.056 1.00 0.00 H new ATOM 0 HE1 HIS A 85 10.904 2.683 12.834 1.00 0.00 H new ATOM 0 HE2 HIS A 85 11.959 0.395 13.193 1.00 0.00 H new ATOM 1373 N HIS A 86 13.191 1.894 7.775 1.00 0.00 N ATOM 1374 CA HIS A 86 11.983 2.188 7.014 1.00 0.00 C ATOM 1375 C HIS A 86 10.827 1.327 7.504 1.00 0.00 C ATOM 1376 O HIS A 86 11.036 0.352 8.224 1.00 0.00 O ATOM 1377 CB HIS A 86 12.217 1.948 5.522 1.00 0.00 C ATOM 1378 CG HIS A 86 13.310 2.791 4.941 1.00 0.00 C ATOM 1379 ND1 HIS A 86 14.050 3.684 5.686 1.00 0.00 N ATOM 1380 CD2 HIS A 86 13.785 2.874 3.677 1.00 0.00 C ATOM 1381 CE1 HIS A 86 14.932 4.282 4.905 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.792 3.807 3.681 1.00 0.00 N ATOM 0 H HIS A 86 13.528 0.937 7.672 1.00 0.00 H new ATOM 0 HA HIS A 86 11.730 3.238 7.164 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.459 0.897 5.366 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.291 2.146 4.982 1.00 0.00 H new ATOM 0 HD1 HIS A 86 13.935 3.856 6.685 1.00 0.00 H new ATOM 0 HD2 HIS A 86 13.437 2.311 2.824 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.646 5.031 5.215 1.00 0.00 H new ATOM 1391 N THR A 87 9.608 1.685 7.110 1.00 0.00 N ATOM 1392 CA THR A 87 8.434 0.933 7.532 1.00 0.00 C ATOM 1393 C THR A 87 7.237 1.180 6.614 1.00 0.00 C ATOM 1394 O THR A 87 7.079 2.266 6.058 1.00 0.00 O ATOM 1395 CB THR A 87 8.036 1.297 8.972 1.00 0.00 C ATOM 1396 OG1 THR A 87 9.144 1.092 9.858 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.860 0.457 9.428 1.00 0.00 C ATOM 0 H THR A 87 9.410 2.483 6.506 1.00 0.00 H new ATOM 0 HA THR A 87 8.706 -0.121 7.479 1.00 0.00 H new ATOM 0 HB THR A 87 7.748 2.348 8.992 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.920 0.391 10.505 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.593 0.729 10.449 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.009 0.635 8.771 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.131 -0.598 9.393 1.00 0.00 H new ATOM 1405 N LEU A 88 6.393 0.160 6.473 1.00 0.00 N ATOM 1406 CA LEU A 88 5.205 0.250 5.634 1.00 0.00 C ATOM 1407 C LEU A 88 3.948 0.151 6.488 1.00 0.00 C ATOM 1408 O LEU A 88 3.469 -0.944 6.784 1.00 0.00 O ATOM 1409 CB LEU A 88 5.205 -0.861 4.586 1.00 0.00 C ATOM 1410 CG LEU A 88 3.886 -1.037 3.826 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.766 -0.003 2.720 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.783 -2.443 3.260 1.00 0.00 C ATOM 0 H LEU A 88 6.513 -0.742 6.933 1.00 0.00 H new ATOM 0 HA LEU A 88 5.216 1.214 5.126 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.998 -0.660 3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.452 -1.802 5.077 1.00 0.00 H new ATOM 0 HG LEU A 88 3.062 -0.887 4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.823 -0.144 2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.794 0.997 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.595 -0.120 2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.840 -2.551 2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.613 -2.621 2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.822 -3.167 4.074 1.00 0.00 H new ATOM 1424 N GLU A 89 3.427 1.298 6.888 1.00 0.00 N ATOM 1425 CA GLU A 89 2.233 1.345 7.710 1.00 0.00 C ATOM 1426 C GLU A 89 0.971 1.091 6.899 1.00 0.00 C ATOM 1427 O GLU A 89 0.456 1.992 6.248 1.00 0.00 O ATOM 1428 CB GLU A 89 2.137 2.702 8.399 1.00 0.00 C ATOM 1429 CG GLU A 89 3.216 2.914 9.437 1.00 0.00 C ATOM 1430 CD GLU A 89 3.193 4.310 10.030 1.00 0.00 C ATOM 1431 OE1 GLU A 89 3.871 5.201 9.475 1.00 0.00 O ATOM 1432 OE2 GLU A 89 2.498 4.512 11.047 1.00 0.00 O ATOM 0 H GLU A 89 3.815 2.212 6.655 1.00 0.00 H new ATOM 0 HA GLU A 89 2.312 0.552 8.454 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.202 3.490 7.649 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.160 2.794 8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.094 2.182 10.236 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.191 2.732 8.984 1.00 0.00 H new ATOM 1439 N LEU A 90 0.484 -0.145 6.933 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.744 -0.494 6.226 1.00 0.00 C ATOM 1441 C LEU A 90 -1.865 -0.708 7.232 1.00 0.00 C ATOM 1442 O LEU A 90 -1.703 -1.437 8.211 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.560 -1.743 5.358 1.00 0.00 C ATOM 1444 CG LEU A 90 0.274 -1.541 4.091 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.388 -2.845 3.317 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.333 -0.452 3.215 1.00 0.00 C ATOM 0 H LEU A 90 0.917 -0.918 7.439 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.002 0.330 5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.091 -2.519 5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.544 -2.114 5.070 1.00 0.00 H new ATOM 0 HG LEU A 90 1.274 -1.224 4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.984 -2.684 2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.869 -3.598 3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.607 -3.189 3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.275 -0.324 2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.345 -0.738 2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.364 0.486 3.769 1.00 0.00 H new ATOM 1458 N VAL A 91 -3.001 -0.068 6.987 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.135 -0.166 7.891 1.00 0.00 C ATOM 1460 C VAL A 91 -5.451 -0.375 7.138 1.00 0.00 C ATOM 1461 O VAL A 91 -5.573 -0.025 5.956 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.244 1.115 8.744 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.372 2.339 7.845 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.409 1.029 9.720 1.00 0.00 C ATOM 0 H VAL A 91 -3.160 0.523 6.171 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.964 -1.033 8.530 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.331 1.213 9.332 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.448 3.236 8.460 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.494 2.412 7.203 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.266 2.245 7.228 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.460 1.946 10.307 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.339 0.900 9.166 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.263 0.179 10.387 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.427 -0.957 7.837 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.751 -1.201 7.274 1.00 0.00 C ATOM 1476 C TYR A 92 -8.707 -0.112 7.755 1.00 0.00 C ATOM 1477 O TYR A 92 -9.390 -0.275 8.766 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.256 -2.584 7.699 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.413 -3.109 6.875 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.383 -3.065 5.487 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.530 -3.660 7.490 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.434 -3.553 4.734 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.584 -4.152 6.744 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.532 -4.096 5.368 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.580 -4.585 4.622 1.00 0.00 O ATOM 0 H TYR A 92 -6.321 -1.270 8.802 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.697 -1.176 6.186 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.431 -3.293 7.637 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.561 -2.540 8.745 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.524 -2.642 4.988 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.575 -3.705 8.568 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.396 -3.509 3.656 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.445 -4.579 7.237 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.273 -4.933 5.221 1.00 0.00 H new ATOM 1495 N THR A 93 -8.743 1.000 7.027 1.00 0.00 N ATOM 1496 CA THR A 93 -9.573 2.143 7.402 1.00 0.00 C ATOM 1497 C THR A 93 -10.598 2.507 6.338 1.00 0.00 C ATOM 1498 O THR A 93 -10.535 2.026 5.217 1.00 0.00 O ATOM 1499 CB THR A 93 -8.691 3.372 7.628 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.503 4.524 7.880 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.819 3.614 6.408 1.00 0.00 C ATOM 0 H THR A 93 -8.205 1.135 6.171 1.00 0.00 H new ATOM 0 HA THR A 93 -10.102 1.850 8.309 1.00 0.00 H new ATOM 0 HB THR A 93 -8.054 3.193 8.494 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.326 5.205 7.197 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.194 4.491 6.576 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.185 2.744 6.235 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.451 3.781 5.536 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.525 3.388 6.701 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.557 3.846 5.778 1.00 0.00 C ATOM 1511 C ARG A 94 -12.190 5.216 5.205 1.00 0.00 C ATOM 1512 O ARG A 94 -12.459 6.242 5.830 1.00 0.00 O ATOM 1513 CB ARG A 94 -13.910 3.934 6.486 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.384 2.613 7.068 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.744 2.752 7.732 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.765 3.213 6.795 1.00 0.00 N ATOM 1517 CZ ARG A 94 -18.024 3.466 7.141 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.415 3.302 8.398 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -18.892 3.883 6.230 1.00 0.00 N ATOM 0 H ARG A 94 -11.582 3.800 7.632 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.628 3.125 4.964 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.843 4.670 7.287 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.656 4.298 5.780 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.439 1.865 6.277 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.657 2.254 7.797 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.043 1.791 8.150 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.672 3.453 8.563 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.497 3.349 5.820 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.750 2.981 9.101 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.381 3.497 8.661 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.595 4.010 5.263 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.857 4.077 6.496 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.555 5.251 4.017 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.155 6.502 3.366 1.00 0.00 C ATOM 1535 C PRO A 95 -12.229 7.583 3.454 1.00 0.00 C ATOM 1536 O PRO A 95 -11.923 8.768 3.585 1.00 0.00 O ATOM 1537 CB PRO A 95 -10.947 6.075 1.917 1.00 0.00 C ATOM 1538 CG PRO A 95 -10.481 4.662 2.011 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.165 4.072 3.217 1.00 0.00 C ATOM 0 HA PRO A 95 -10.277 6.946 3.835 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.871 6.152 1.344 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.210 6.705 1.419 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.737 4.107 1.108 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.397 4.616 2.117 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.033 3.477 2.933 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.497 3.415 3.774 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.485 7.161 3.380 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.609 8.071 3.447 1.00 0.00 C ATOM 1549 C PHE A 96 -14.749 8.689 4.837 1.00 0.00 C ATOM 1550 O PHE A 96 -14.976 9.893 4.969 1.00 0.00 O ATOM 1551 CB PHE A 96 -15.881 7.316 3.076 1.00 0.00 C ATOM 1552 CG PHE A 96 -15.850 6.730 1.694 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -15.211 5.525 1.451 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -16.459 7.386 0.635 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -15.179 4.985 0.180 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -16.430 6.851 -0.639 1.00 0.00 C ATOM 1557 CZ PHE A 96 -15.789 5.649 -0.867 1.00 0.00 C ATOM 0 H PHE A 96 -13.747 6.181 3.272 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.440 8.886 2.744 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.042 6.515 3.798 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.732 7.993 3.156 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.732 5.001 2.265 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -16.962 8.326 0.808 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.678 4.045 0.005 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -16.908 7.372 -1.455 1.00 0.00 H new ATOM 0 HZ PHE A 96 -15.765 5.229 -1.862 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.612 7.862 5.869 1.00 0.00 N ATOM 1568 CA GLU A 97 -14.732 8.331 7.247 1.00 0.00 C ATOM 1569 C GLU A 97 -13.369 8.691 7.833 1.00 0.00 C ATOM 1570 O GLU A 97 -13.002 9.865 7.903 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.403 7.264 8.116 1.00 0.00 C ATOM 1572 CG GLU A 97 -16.790 6.871 7.635 1.00 0.00 C ATOM 1573 CD GLU A 97 -17.756 8.039 7.617 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -18.420 8.276 8.648 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -17.848 8.717 6.573 1.00 0.00 O ATOM 0 H GLU A 97 -14.418 6.865 5.778 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.349 9.230 7.238 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.771 6.376 8.140 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.473 7.632 9.139 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -16.717 6.450 6.632 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.186 6.088 8.281 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.625 7.672 8.252 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.316 7.892 8.838 1.00 0.00 C ATOM 1584 C GLY A 98 -10.745 6.632 9.442 1.00 0.00 C ATOM 1585 O GLY A 98 -11.399 5.589 9.455 1.00 0.00 O ATOM 0 H GLY A 98 -12.907 6.694 8.195 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.636 8.268 8.074 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.388 8.662 9.607 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.526 6.731 9.948 1.00 0.00 N ATOM 1590 CA ILE A 99 -8.857 5.588 10.543 1.00 0.00 C ATOM 1591 C ILE A 99 -9.112 5.517 12.043 1.00 0.00 C ATOM 1592 O ILE A 99 -9.325 6.538 12.698 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.347 5.640 10.280 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.077 6.157 8.862 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.742 4.257 10.478 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.658 6.641 8.652 1.00 0.00 C ATOM 0 H ILE A 99 -8.980 7.593 9.958 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.269 4.693 10.077 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.881 6.326 10.987 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.290 5.362 8.148 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.766 6.973 8.645 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.669 4.299 10.290 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.918 3.926 11.501 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.205 3.555 9.785 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.541 6.992 7.627 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.447 7.458 9.341 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.963 5.822 8.837 1.00 0.00 H new ATOM 1608 N LYS A 100 -9.088 4.302 12.579 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.332 4.085 13.997 1.00 0.00 C ATOM 1610 C LYS A 100 -8.416 2.996 14.553 1.00 0.00 C ATOM 1611 O LYS A 100 -7.831 2.220 13.799 1.00 0.00 O ATOM 1612 CB LYS A 100 -10.797 3.701 14.203 1.00 0.00 C ATOM 1613 CG LYS A 100 -11.767 4.774 13.740 1.00 0.00 C ATOM 1614 CD LYS A 100 -13.190 4.246 13.665 1.00 0.00 C ATOM 1615 CE LYS A 100 -13.829 4.576 12.327 1.00 0.00 C ATOM 1616 NZ LYS A 100 -13.941 6.044 12.112 1.00 0.00 N ATOM 0 H LYS A 100 -8.901 3.451 12.049 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.115 5.008 14.536 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -11.003 2.777 13.663 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.968 3.498 15.260 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.728 5.621 14.425 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.463 5.142 12.760 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.188 3.166 13.814 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.784 4.678 14.471 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.238 4.136 11.524 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -14.820 4.125 12.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -14.501 6.228 11.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.409 6.480 12.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -12.991 6.452 11.998 1.00 0.00 H new ATOM 1630 N PRO A 101 -8.282 2.932 15.889 1.00 0.00 N ATOM 1631 CA PRO A 101 -7.438 1.935 16.553 1.00 0.00 C ATOM 1632 C PRO A 101 -7.987 0.523 16.397 1.00 0.00 C ATOM 1633 O PRO A 101 -7.234 -0.428 16.187 1.00 0.00 O ATOM 1634 CB PRO A 101 -7.466 2.361 18.023 1.00 0.00 C ATOM 1635 CG PRO A 101 -8.723 3.148 18.170 1.00 0.00 C ATOM 1636 CD PRO A 101 -8.944 3.827 16.851 1.00 0.00 C ATOM 0 HA PRO A 101 -6.435 1.902 16.128 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.462 1.495 18.685 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.592 2.961 18.277 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.562 2.499 18.420 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.634 3.878 18.974 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.005 3.939 16.630 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.508 4.826 16.836 1.00 0.00 H new ATOM 1644 N GLU A 102 -9.306 0.394 16.501 1.00 0.00 N ATOM 1645 CA GLU A 102 -9.961 -0.901 16.367 1.00 0.00 C ATOM 1646 C GLU A 102 -9.726 -1.484 14.978 1.00 0.00 C ATOM 1647 O GLU A 102 -9.721 -2.702 14.797 1.00 0.00 O ATOM 1648 CB GLU A 102 -11.457 -0.768 16.633 1.00 0.00 C ATOM 1649 CG GLU A 102 -12.102 0.330 15.819 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.582 0.483 16.105 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -14.390 -0.183 15.424 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -13.933 1.270 17.010 1.00 0.00 O ATOM 0 H GLU A 102 -9.942 1.172 16.678 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.530 -1.579 17.104 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.947 -1.716 16.409 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.617 -0.570 17.693 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.597 1.274 16.026 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.962 0.120 14.759 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.534 -0.602 14.002 1.00 0.00 N ATOM 1660 CA ASN A 103 -9.291 -1.020 12.624 1.00 0.00 C ATOM 1661 C ASN A 103 -8.102 -1.971 12.543 1.00 0.00 C ATOM 1662 O ASN A 103 -7.165 -1.877 13.337 1.00 0.00 O ATOM 1663 CB ASN A 103 -9.035 0.203 11.742 1.00 0.00 C ATOM 1664 CG ASN A 103 -10.284 1.029 11.506 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -11.253 0.919 12.408 1.00 0.00 O flip ATOM 1666 ND2 ASN A 103 -10.382 1.755 10.516 1.00 0.00 N flip ATOM 0 H ASN A 103 -9.542 0.409 14.139 1.00 0.00 H new ATOM 0 HA ASN A 103 -10.177 -1.545 12.268 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.274 0.829 12.208 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.635 -0.124 10.782 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -9.614 1.811 9.847 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.231 2.300 10.365 1.00 0.00 H new ATOM 1673 N GLU A 104 -8.147 -2.889 11.580 1.00 0.00 N ATOM 1674 CA GLU A 104 -7.076 -3.849 11.388 1.00 0.00 C ATOM 1675 C GLU A 104 -5.745 -3.140 11.168 1.00 0.00 C ATOM 1676 O GLU A 104 -5.708 -1.963 10.809 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.396 -4.750 10.205 1.00 0.00 C ATOM 1678 CG GLU A 104 -7.752 -6.168 10.611 1.00 0.00 C ATOM 1679 CD GLU A 104 -9.146 -6.275 11.198 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -10.102 -6.489 10.422 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -9.282 -6.146 12.432 1.00 0.00 O ATOM 0 H GLU A 104 -8.920 -2.984 10.921 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.990 -4.458 12.288 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.226 -4.321 9.644 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.537 -4.776 9.534 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.677 -6.820 9.741 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.026 -6.526 11.341 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.655 -3.869 11.375 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.318 -3.309 11.221 1.00 0.00 C ATOM 1690 C ARG A 105 -2.443 -4.201 10.344 1.00 0.00 C ATOM 1691 O ARG A 105 -2.775 -5.360 10.098 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.670 -3.145 12.602 1.00 0.00 C ATOM 1693 CG ARG A 105 -1.329 -2.426 12.578 1.00 0.00 C ATOM 1694 CD ARG A 105 -1.506 -0.919 12.623 1.00 0.00 C ATOM 1695 NE ARG A 105 -0.238 -0.238 12.849 1.00 0.00 N ATOM 1696 CZ ARG A 105 -0.108 1.083 12.920 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -1.170 1.865 12.779 1.00 0.00 N ATOM 1698 NH2 ARG A 105 1.084 1.623 13.133 1.00 0.00 N ATOM 0 H ARG A 105 -4.671 -4.851 11.650 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.406 -2.337 10.735 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.353 -2.595 13.249 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.534 -4.131 13.047 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.727 -2.748 13.427 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.783 -2.703 11.676 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.943 -0.575 11.685 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -2.207 -0.658 13.416 1.00 0.00 H new ATOM 0 HE ARG A 105 0.600 -0.809 12.959 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -2.089 1.453 12.616 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.068 2.878 12.834 1.00 0.00 H new ATOM 0 HH21 ARG A 105 1.903 1.025 13.243 1.00 0.00 H new ATOM 0 HH22 ARG A 105 1.182 2.637 13.187 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.344 -3.634 9.849 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.379 -4.364 9.030 1.00 0.00 C ATOM 1714 C TYR A 106 0.801 -3.458 8.697 1.00 0.00 C ATOM 1715 O TYR A 106 0.987 -3.041 7.557 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.036 -4.907 7.759 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.153 -5.849 6.970 1.00 0.00 C ATOM 1718 CD1 TYR A 106 -0.074 -7.197 7.301 1.00 0.00 C ATOM 1719 CD2 TYR A 106 0.601 -5.395 5.895 1.00 0.00 C ATOM 1720 CE1 TYR A 106 0.728 -8.063 6.585 1.00 0.00 C ATOM 1721 CE2 TYR A 106 1.406 -6.256 5.173 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.466 -7.588 5.522 1.00 0.00 C ATOM 1723 OH TYR A 106 2.267 -8.449 4.806 1.00 0.00 O ATOM 0 H TYR A 106 -1.098 -2.656 10.004 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.013 -5.221 9.596 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.955 -5.427 8.030 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.319 -4.070 7.121 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.650 -7.573 8.133 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.557 -4.352 5.619 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.777 -9.107 6.856 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.985 -5.887 4.340 1.00 0.00 H new ATOM 0 HH TYR A 106 3.200 -8.156 4.869 1.00 0.00 H new ATOM 1733 N THR A 107 1.592 -3.150 9.719 1.00 0.00 N ATOM 1734 CA THR A 107 2.750 -2.279 9.564 1.00 0.00 C ATOM 1735 C THR A 107 4.013 -3.077 9.254 1.00 0.00 C ATOM 1736 O THR A 107 4.730 -3.503 10.160 1.00 0.00 O ATOM 1737 CB THR A 107 2.973 -1.444 10.837 1.00 0.00 C ATOM 1738 OG1 THR A 107 1.736 -0.860 11.260 1.00 0.00 O ATOM 1739 CG2 THR A 107 3.991 -0.346 10.596 1.00 0.00 C ATOM 0 H THR A 107 1.450 -3.493 10.669 1.00 0.00 H new ATOM 0 HA THR A 107 2.545 -1.615 8.724 1.00 0.00 H new ATOM 0 HB THR A 107 3.353 -2.107 11.614 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.765 0.109 11.115 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.130 0.229 11.512 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.941 -0.790 10.299 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.635 0.313 9.804 1.00 0.00 H new ATOM 1747 N LEU A 108 4.286 -3.266 7.968 1.00 0.00 N ATOM 1748 CA LEU A 108 5.457 -4.023 7.535 1.00 0.00 C ATOM 1749 C LEU A 108 6.747 -3.251 7.788 1.00 0.00 C ATOM 1750 O LEU A 108 7.169 -2.441 6.964 1.00 0.00 O ATOM 1751 CB LEU A 108 5.342 -4.371 6.050 1.00 0.00 C ATOM 1752 CG LEU A 108 6.559 -5.077 5.446 1.00 0.00 C ATOM 1753 CD1 LEU A 108 6.892 -6.337 6.232 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.312 -5.407 3.985 1.00 0.00 C ATOM 0 H LEU A 108 3.712 -2.905 7.206 1.00 0.00 H new ATOM 0 HA LEU A 108 5.493 -4.942 8.121 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.468 -5.006 5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.162 -3.452 5.492 1.00 0.00 H new ATOM 0 HG LEU A 108 7.413 -4.402 5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.760 -6.825 5.787 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.114 -6.073 7.266 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.041 -7.017 6.207 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.187 -5.908 3.572 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.445 -6.063 3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.126 -4.487 3.431 1.00 0.00 H new ATOM 1766 N HIS A 109 7.373 -3.514 8.931 1.00 0.00 N ATOM 1767 CA HIS A 109 8.620 -2.848 9.288 1.00 0.00 C ATOM 1768 C HIS A 109 9.795 -3.469 8.540 1.00 0.00 C ATOM 1769 O HIS A 109 9.851 -4.683 8.342 1.00 0.00 O ATOM 1770 CB HIS A 109 8.850 -2.916 10.791 1.00 0.00 C ATOM 1771 CG HIS A 109 8.108 -1.868 11.559 1.00 0.00 C ATOM 1772 ND1 HIS A 109 8.716 -0.742 12.075 1.00 0.00 N ATOM 1773 CD2 HIS A 109 6.801 -1.777 11.897 1.00 0.00 C ATOM 1774 CE1 HIS A 109 7.813 -0.004 12.698 1.00 0.00 C ATOM 1775 NE2 HIS A 109 6.643 -0.610 12.603 1.00 0.00 N ATOM 0 H HIS A 109 7.038 -4.183 9.625 1.00 0.00 H new ATOM 0 HA HIS A 109 8.543 -1.800 8.997 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.550 -3.900 11.152 1.00 0.00 H new ATOM 0 HB3 HIS A 109 9.917 -2.815 10.992 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.026 -2.490 11.656 1.00 0.00 H new ATOM 0 HE1 HIS A 109 8.000 0.934 13.199 1.00 0.00 H new ATOM 0 HE2 HIS A 109 5.765 -0.267 12.991 1.00 0.00 H new ATOM 1784 N LEU A 110 10.742 -2.623 8.151 1.00 0.00 N ATOM 1785 CA LEU A 110 11.908 -3.062 7.395 1.00 0.00 C ATOM 1786 C LEU A 110 13.153 -2.258 7.756 1.00 0.00 C ATOM 1787 O LEU A 110 13.293 -1.104 7.350 1.00 0.00 O ATOM 1788 CB LEU A 110 11.650 -2.913 5.891 1.00 0.00 C ATOM 1789 CG LEU A 110 10.480 -3.729 5.335 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.217 -3.350 3.885 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.755 -5.220 5.458 1.00 0.00 C ATOM 0 H LEU A 110 10.724 -1.622 8.349 1.00 0.00 H new ATOM 0 HA LEU A 110 12.080 -4.108 7.650 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.470 -1.860 5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.555 -3.199 5.355 1.00 0.00 H new ATOM 0 HG LEU A 110 9.590 -3.501 5.922 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.383 -3.937 3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.972 -2.289 3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.107 -3.552 3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.910 -5.780 5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.656 -5.471 4.898 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.896 -5.479 6.507 1.00 0.00 H new ATOM 1803 N ASN A 111 14.049 -2.864 8.527 1.00 0.00 N ATOM 1804 CA ASN A 111 15.296 -2.213 8.895 1.00 0.00 C ATOM 1805 C ASN A 111 16.257 -2.303 7.718 1.00 0.00 C ATOM 1806 O ASN A 111 17.259 -3.019 7.765 1.00 0.00 O ATOM 1807 CB ASN A 111 15.905 -2.872 10.136 1.00 0.00 C ATOM 1808 CG ASN A 111 17.199 -2.210 10.568 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.391 -1.009 10.375 1.00 0.00 O ATOM 1810 ND2 ASN A 111 18.095 -2.993 11.158 1.00 0.00 N ATOM 0 H ASN A 111 13.933 -3.803 8.908 1.00 0.00 H new ATOM 0 HA ASN A 111 15.105 -1.167 9.136 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.187 -2.829 10.955 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.091 -3.926 9.930 1.00 0.00 H new ATOM 0 HD21 ASN A 111 18.984 -2.604 11.472 1.00 0.00 H new ATOM 0 HD22 ASN A 111 17.894 -3.983 11.298 1.00 0.00 H new ATOM 1817 N VAL A 112 15.924 -1.576 6.657 1.00 0.00 N ATOM 1818 CA VAL A 112 16.712 -1.577 5.433 1.00 0.00 C ATOM 1819 C VAL A 112 18.196 -1.372 5.719 1.00 0.00 C ATOM 1820 O VAL A 112 18.583 -0.422 6.400 1.00 0.00 O ATOM 1821 CB VAL A 112 16.228 -0.483 4.462 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.672 -0.799 3.045 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.717 -0.334 4.530 1.00 0.00 C ATOM 0 H VAL A 112 15.103 -0.972 6.622 1.00 0.00 H new ATOM 0 HA VAL A 112 16.576 -2.555 4.972 1.00 0.00 H new ATOM 0 HB VAL A 112 16.676 0.465 4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.322 -0.017 2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.760 -0.850 3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.253 -1.757 2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.396 0.444 3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.246 -1.279 4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.424 -0.060 5.543 1.00 0.00 H new ATOM 1833 N LYS A 113 19.020 -2.272 5.192 1.00 0.00 N ATOM 1834 CA LYS A 113 20.463 -2.198 5.385 1.00 0.00 C ATOM 1835 C LYS A 113 21.064 -1.052 4.577 1.00 0.00 C ATOM 1836 O LYS A 113 21.241 0.045 5.149 1.00 0.00 O ATOM 1837 CB LYS A 113 21.115 -3.521 4.984 1.00 0.00 C ATOM 1838 CG LYS A 113 20.647 -4.708 5.811 1.00 0.00 C ATOM 1839 CD LYS A 113 21.040 -4.561 7.273 1.00 0.00 C ATOM 1840 CE LYS A 113 20.540 -5.730 8.106 1.00 0.00 C ATOM 1841 NZ LYS A 113 20.934 -5.602 9.536 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.352 -1.259 3.380 1.00 0.00 O ATOM 0 H LYS A 113 18.712 -3.063 4.627 1.00 0.00 H new ATOM 0 HA LYS A 113 20.656 -2.009 6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.904 -3.716 3.933 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.197 -3.427 5.080 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.564 -4.803 5.732 1.00 0.00 H new ATOM 0 HG3 LYS A 113 21.077 -5.625 5.408 1.00 0.00 H new ATOM 0 HD2 LYS A 113 22.125 -4.493 7.354 1.00 0.00 H new ATOM 0 HD3 LYS A 113 20.632 -3.631 7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 113 19.454 -5.790 8.033 1.00 0.00 H new ATOM 0 HE3 LYS A 113 20.938 -6.661 7.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 20.574 -6.419 10.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 21.971 -5.571 9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 20.533 -4.727 9.930 1.00 0.00 H new