USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 717 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 84 ASN : amide:sc= 0 X(o=-1.1,f=-1.1) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -1.08 X(o=-1.1,f=-1.5) USER MOD Single : A 16 THR OG1 : rot 17:sc= 1.11 USER MOD Single : A 26 LYS NZ :NH3+ 149:sc= 0.0132 (180deg=-0.00378) USER MOD Single : A 30 MET CE :methyl -154:sc= -0.103 (180deg=-1.22) USER MOD Single : A 32 SER OG : rot 132:sc= 0.594 USER MOD Single : A 33 SER OG : rot 2:sc= 0.256 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 86:sc= 0.884 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 46 ASN : amide:sc= 0.845 K(o=0.84,f=-0.15) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 67:sc= 0.799 USER MOD Single : A 58 LYS NZ :NH3+ -115:sc= 1.11 (180deg=-1.69) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HE2:sc= 0.0541 X(o=0.054,f=-0.34) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 27:sc= 0.801 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.655) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -167:sc= -2.44 (180deg=-2.56!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 16 -9.743 -2.359 -5.245 1.00 0.00 N ATOM 191 CA THR A 16 -10.583 -1.304 -4.691 1.00 0.00 C ATOM 192 C THR A 16 -11.431 -1.826 -3.537 1.00 0.00 C ATOM 193 O THR A 16 -12.380 -2.582 -3.745 1.00 0.00 O ATOM 194 CB THR A 16 -11.510 -0.703 -5.764 1.00 0.00 C ATOM 195 OG1 THR A 16 -12.470 -1.679 -6.185 1.00 0.00 O ATOM 196 CG2 THR A 16 -10.709 -0.222 -6.964 1.00 0.00 C ATOM 0 HA THR A 16 -9.913 -0.527 -4.323 1.00 0.00 H new ATOM 0 HB THR A 16 -12.028 0.151 -5.327 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.506 -2.407 -5.530 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.385 0.198 -7.708 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.000 0.542 -6.646 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.167 -1.061 -7.400 1.00 0.00 H new ATOM 204 N ILE A 17 -11.083 -1.418 -2.321 1.00 0.00 N ATOM 205 CA ILE A 17 -11.815 -1.843 -1.135 1.00 0.00 C ATOM 206 C ILE A 17 -12.024 -0.680 -0.171 1.00 0.00 C ATOM 207 O ILE A 17 -11.069 -0.020 0.238 1.00 0.00 O ATOM 208 CB ILE A 17 -11.080 -2.979 -0.398 1.00 0.00 C ATOM 209 CG1 ILE A 17 -10.978 -4.215 -1.294 1.00 0.00 C ATOM 210 CG2 ILE A 17 -11.796 -3.318 0.901 1.00 0.00 C ATOM 211 CD1 ILE A 17 -9.924 -5.202 -0.844 1.00 0.00 C ATOM 0 H ILE A 17 -10.299 -0.794 -2.132 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.784 -2.208 -1.476 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.071 -2.643 -0.157 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.946 -4.716 -1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.756 -3.898 -2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.265 -4.122 1.410 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.822 -2.437 1.543 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.815 -3.638 0.682 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.908 -6.053 -1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.948 -4.717 -0.845 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.156 -5.548 0.163 1.00 0.00 H new ATOM 223 N ILE A 18 -13.280 -0.435 0.187 1.00 0.00 N ATOM 224 CA ILE A 18 -13.615 0.647 1.105 1.00 0.00 C ATOM 225 C ILE A 18 -13.732 0.136 2.537 1.00 0.00 C ATOM 226 O ILE A 18 -14.330 -0.911 2.788 1.00 0.00 O ATOM 227 CB ILE A 18 -14.934 1.334 0.708 1.00 0.00 C ATOM 228 CG1 ILE A 18 -14.850 1.856 -0.728 1.00 0.00 C ATOM 229 CG2 ILE A 18 -15.252 2.468 1.671 1.00 0.00 C ATOM 230 CD1 ILE A 18 -13.840 2.967 -0.909 1.00 0.00 C ATOM 0 H ILE A 18 -14.082 -0.971 -0.144 1.00 0.00 H new ATOM 0 HA ILE A 18 -12.805 1.373 1.046 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.739 0.601 0.762 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.593 1.030 -1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -15.833 2.216 -1.033 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.188 2.944 1.377 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.349 2.071 2.681 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.448 3.203 1.646 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.835 3.288 -1.951 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -14.108 3.810 -0.271 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.849 2.606 -0.635 1.00 0.00 H new ATOM 242 N LEU A 19 -13.158 0.883 3.474 1.00 0.00 N ATOM 243 CA LEU A 19 -13.199 0.508 4.883 1.00 0.00 C ATOM 244 C LEU A 19 -14.208 1.361 5.645 1.00 0.00 C ATOM 245 O LEU A 19 -14.260 2.583 5.500 1.00 0.00 O ATOM 246 CB LEU A 19 -11.812 0.656 5.511 1.00 0.00 C ATOM 247 CG LEU A 19 -11.520 -0.244 6.713 1.00 0.00 C ATOM 248 CD1 LEU A 19 -11.413 -1.697 6.278 1.00 0.00 C ATOM 249 CD2 LEU A 19 -10.245 0.200 7.414 1.00 0.00 C ATOM 0 H LEU A 19 -12.659 1.752 3.283 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.511 -0.534 4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.064 0.457 4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.684 1.694 5.820 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.347 -0.157 7.417 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.205 -2.322 7.146 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.352 -2.010 5.822 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.605 -1.801 5.554 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.053 -0.451 8.267 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.408 0.143 6.718 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.359 1.227 7.761 1.00 0.00 H new ATOM 261 N PRO A 20 -15.029 0.705 6.478 1.00 0.00 N ATOM 262 CA PRO A 20 -16.050 1.384 7.282 1.00 0.00 C ATOM 263 C PRO A 20 -15.443 2.234 8.392 1.00 0.00 C ATOM 264 O PRO A 20 -14.222 2.328 8.517 1.00 0.00 O ATOM 265 CB PRO A 20 -16.860 0.229 7.875 1.00 0.00 C ATOM 266 CG PRO A 20 -15.917 -0.924 7.898 1.00 0.00 C ATOM 267 CD PRO A 20 -15.023 -0.751 6.701 1.00 0.00 C ATOM 0 HA PRO A 20 -16.644 2.077 6.686 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.216 0.469 8.877 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.739 0.010 7.268 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.336 -0.935 8.820 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.456 -1.870 7.849 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.017 -1.124 6.894 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.403 -1.292 5.834 1.00 0.00 H new ATOM 275 N GLU A 21 -16.303 2.852 9.196 1.00 0.00 N ATOM 276 CA GLU A 21 -15.849 3.694 10.296 1.00 0.00 C ATOM 277 C GLU A 21 -15.772 2.898 11.596 1.00 0.00 C ATOM 278 O GLU A 21 -15.809 3.466 12.688 1.00 0.00 O ATOM 279 CB GLU A 21 -16.788 4.890 10.473 1.00 0.00 C ATOM 280 CG GLU A 21 -18.204 4.499 10.862 1.00 0.00 C ATOM 281 CD GLU A 21 -19.075 5.699 11.178 1.00 0.00 C ATOM 282 OE1 GLU A 21 -19.472 6.410 10.231 1.00 0.00 O ATOM 283 OE2 GLU A 21 -19.359 5.929 12.372 1.00 0.00 O ATOM 0 H GLU A 21 -17.317 2.785 9.106 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.850 4.057 10.053 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.380 5.552 11.237 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.819 5.458 9.543 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.656 3.931 10.049 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.170 3.841 11.730 1.00 0.00 H new ATOM 290 N ASP A 22 -15.664 1.580 11.469 1.00 0.00 N ATOM 291 CA ASP A 22 -15.580 0.705 12.633 1.00 0.00 C ATOM 292 C ASP A 22 -14.184 0.104 12.761 1.00 0.00 C ATOM 293 O ASP A 22 -13.849 -0.500 13.781 1.00 0.00 O ATOM 294 CB ASP A 22 -16.622 -0.411 12.534 1.00 0.00 C ATOM 295 CG ASP A 22 -17.957 -0.010 13.130 1.00 0.00 C ATOM 296 OD1 ASP A 22 -18.742 0.662 12.429 1.00 0.00 O ATOM 297 OD2 ASP A 22 -18.217 -0.370 14.297 1.00 0.00 O ATOM 0 H ASP A 22 -15.633 1.094 10.573 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.782 1.303 13.522 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -16.761 -0.682 11.488 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.250 -1.298 13.047 1.00 0.00 H new ATOM 302 N ILE A 23 -13.375 0.273 11.721 1.00 0.00 N ATOM 303 CA ILE A 23 -12.015 -0.253 11.719 1.00 0.00 C ATOM 304 C ILE A 23 -11.012 0.815 12.139 1.00 0.00 C ATOM 305 O ILE A 23 -11.196 1.999 11.857 1.00 0.00 O ATOM 306 CB ILE A 23 -11.623 -0.792 10.330 1.00 0.00 C ATOM 307 CG1 ILE A 23 -12.860 -1.303 9.589 1.00 0.00 C ATOM 308 CG2 ILE A 23 -10.585 -1.896 10.465 1.00 0.00 C ATOM 309 CD1 ILE A 23 -13.763 -2.165 10.443 1.00 0.00 C ATOM 0 H ILE A 23 -13.637 0.770 10.869 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.992 -1.072 12.438 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.187 0.021 9.750 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.429 -0.451 9.218 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.541 -1.876 8.718 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.318 -2.267 9.476 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.696 -1.501 10.957 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.997 -2.712 11.059 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -14.619 -2.491 9.853 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.210 -3.037 10.793 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.112 -1.589 11.300 1.00 0.00 H new ATOM 321 N GLU A 24 -9.949 0.388 12.815 1.00 0.00 N ATOM 322 CA GLU A 24 -8.916 1.309 13.273 1.00 0.00 C ATOM 323 C GLU A 24 -7.697 1.259 12.357 1.00 0.00 C ATOM 324 O GLU A 24 -6.992 0.250 12.297 1.00 0.00 O ATOM 325 CB GLU A 24 -8.503 0.974 14.708 1.00 0.00 C ATOM 326 CG GLU A 24 -7.208 1.641 15.140 1.00 0.00 C ATOM 327 CD GLU A 24 -6.868 1.368 16.593 1.00 0.00 C ATOM 328 OE1 GLU A 24 -6.535 0.209 16.917 1.00 0.00 O ATOM 329 OE2 GLU A 24 -6.935 2.315 17.405 1.00 0.00 O ATOM 0 H GLU A 24 -9.781 -0.589 13.057 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.327 2.318 13.247 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.301 1.275 15.387 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.395 -0.106 14.803 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.393 1.288 14.508 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.289 2.717 14.985 1.00 0.00 H new ATOM 336 N LEU A 25 -7.454 2.354 11.644 1.00 0.00 N ATOM 337 CA LEU A 25 -6.320 2.436 10.730 1.00 0.00 C ATOM 338 C LEU A 25 -5.059 2.881 11.464 1.00 0.00 C ATOM 339 O LEU A 25 -4.990 3.996 11.980 1.00 0.00 O ATOM 340 CB LEU A 25 -6.629 3.406 9.589 1.00 0.00 C ATOM 341 CG LEU A 25 -7.584 2.892 8.510 1.00 0.00 C ATOM 342 CD1 LEU A 25 -7.821 3.960 7.454 1.00 0.00 C ATOM 343 CD2 LEU A 25 -7.036 1.623 7.874 1.00 0.00 C ATOM 0 H LEU A 25 -8.027 3.197 11.681 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.146 1.442 10.317 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.051 4.315 10.016 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.690 3.685 9.112 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.539 2.656 8.979 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.503 3.576 6.695 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.258 4.843 7.921 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.873 4.228 6.988 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.728 1.271 7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.068 1.833 7.419 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.919 0.854 8.638 1.00 0.00 H new ATOM 355 N LYS A 26 -4.063 2.003 11.505 1.00 0.00 N ATOM 356 CA LYS A 26 -2.803 2.305 12.172 1.00 0.00 C ATOM 357 C LYS A 26 -1.780 2.851 11.181 1.00 0.00 C ATOM 358 O LYS A 26 -1.692 2.408 10.036 1.00 0.00 O ATOM 359 CB LYS A 26 -2.249 1.052 12.854 1.00 0.00 C ATOM 360 CG LYS A 26 -3.010 0.656 14.108 1.00 0.00 C ATOM 361 CD LYS A 26 -2.972 -0.846 14.332 1.00 0.00 C ATOM 362 CE LYS A 26 -4.143 -1.541 13.654 1.00 0.00 C ATOM 363 NZ LYS A 26 -5.324 -1.642 14.555 1.00 0.00 N ATOM 0 H LYS A 26 -4.104 1.075 11.083 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.995 3.067 12.927 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.273 0.223 12.147 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.203 1.221 13.112 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.581 1.165 14.971 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.045 0.987 14.026 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.036 -1.249 13.946 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.993 -1.056 15.401 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.419 -0.993 12.753 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.840 -2.539 13.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.196 -1.611 13.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.284 -2.539 15.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.318 -0.847 15.226 1.00 0.00 H new ATOM 377 N PRO A 27 -0.986 3.835 11.630 1.00 0.00 N ATOM 378 CA PRO A 27 0.046 4.461 10.798 1.00 0.00 C ATOM 379 C PRO A 27 1.211 3.518 10.513 1.00 0.00 C ATOM 380 O PRO A 27 1.987 3.186 11.410 1.00 0.00 O ATOM 381 CB PRO A 27 0.513 5.647 11.645 1.00 0.00 C ATOM 382 CG PRO A 27 0.209 5.253 13.049 1.00 0.00 C ATOM 383 CD PRO A 27 -1.036 4.412 12.983 1.00 0.00 C ATOM 0 HA PRO A 27 -0.337 4.744 9.818 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.578 5.836 11.509 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.011 6.562 11.368 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.036 4.692 13.485 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.054 6.131 13.676 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.039 3.638 13.750 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.934 5.011 13.131 1.00 0.00 H new ATOM 391 N LEU A 28 1.327 3.091 9.261 1.00 0.00 N ATOM 392 CA LEU A 28 2.399 2.187 8.858 1.00 0.00 C ATOM 393 C LEU A 28 3.633 2.967 8.417 1.00 0.00 C ATOM 394 O LEU A 28 4.763 2.574 8.702 1.00 0.00 O ATOM 395 CB LEU A 28 1.925 1.277 7.723 1.00 0.00 C ATOM 396 CG LEU A 28 3.000 0.817 6.738 1.00 0.00 C ATOM 397 CD1 LEU A 28 2.520 -0.393 5.952 1.00 0.00 C ATOM 398 CD2 LEU A 28 3.381 1.950 5.797 1.00 0.00 C ATOM 0 H LEU A 28 0.693 3.356 8.507 1.00 0.00 H new ATOM 0 HA LEU A 28 2.668 1.575 9.719 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.461 0.394 8.162 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.149 1.800 7.165 1.00 0.00 H new ATOM 0 HG LEU A 28 3.886 0.529 7.304 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.298 -0.707 5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.298 -1.209 6.640 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.619 -0.132 5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.147 1.604 5.103 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.502 2.269 5.237 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.767 2.789 6.376 1.00 0.00 H new ATOM 410 N GLY A 29 3.408 4.078 7.721 1.00 0.00 N ATOM 411 CA GLY A 29 4.511 4.897 7.254 1.00 0.00 C ATOM 412 C GLY A 29 4.061 5.984 6.298 1.00 0.00 C ATOM 413 O GLY A 29 2.865 6.239 6.155 1.00 0.00 O ATOM 0 H GLY A 29 2.482 4.425 7.473 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.009 5.353 8.110 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.246 4.263 6.758 1.00 0.00 H new ATOM 417 N MET A 30 5.021 6.628 5.642 1.00 0.00 N ATOM 418 CA MET A 30 4.717 7.694 4.695 1.00 0.00 C ATOM 419 C MET A 30 5.521 7.525 3.410 1.00 0.00 C ATOM 420 O MET A 30 6.677 7.104 3.440 1.00 0.00 O ATOM 421 CB MET A 30 5.012 9.060 5.319 1.00 0.00 C ATOM 422 CG MET A 30 5.328 10.139 4.297 1.00 0.00 C ATOM 423 SD MET A 30 7.084 10.227 3.899 1.00 0.00 S ATOM 424 CE MET A 30 7.623 11.511 5.027 1.00 0.00 C ATOM 0 H MET A 30 6.016 6.430 5.749 1.00 0.00 H new ATOM 0 HA MET A 30 3.657 7.636 4.450 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.152 9.373 5.912 1.00 0.00 H new ATOM 0 HB3 MET A 30 5.854 8.963 6.005 1.00 0.00 H new ATOM 0 HG2 MET A 30 4.762 9.947 3.385 1.00 0.00 H new ATOM 0 HG3 MET A 30 4.998 11.105 4.680 1.00 0.00 H new ATOM 0 HE1 MET A 30 8.508 12.002 4.623 1.00 0.00 H new ATOM 0 HE2 MET A 30 6.826 12.244 5.151 1.00 0.00 H new ATOM 0 HE3 MET A 30 7.863 11.069 5.994 1.00 0.00 H new ATOM 434 N VAL A 31 4.901 7.856 2.281 1.00 0.00 N ATOM 435 CA VAL A 31 5.559 7.741 0.985 1.00 0.00 C ATOM 436 C VAL A 31 6.917 8.435 0.995 1.00 0.00 C ATOM 437 O VAL A 31 6.999 9.658 1.102 1.00 0.00 O ATOM 438 CB VAL A 31 4.695 8.344 -0.138 1.00 0.00 C ATOM 439 CG1 VAL A 31 5.392 8.202 -1.483 1.00 0.00 C ATOM 440 CG2 VAL A 31 3.324 7.685 -0.167 1.00 0.00 C ATOM 0 H VAL A 31 3.944 8.206 2.238 1.00 0.00 H new ATOM 0 HA VAL A 31 5.699 6.677 0.794 1.00 0.00 H new ATOM 0 HB VAL A 31 4.558 9.407 0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.766 8.634 -2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.348 8.724 -1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.561 7.146 -1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.727 8.123 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.438 6.615 -0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.824 7.844 0.788 1.00 0.00 H new ATOM 450 N SER A 32 7.979 7.644 0.883 1.00 0.00 N ATOM 451 CA SER A 32 9.335 8.182 0.882 1.00 0.00 C ATOM 452 C SER A 32 9.867 8.312 -0.542 1.00 0.00 C ATOM 453 O SER A 32 10.585 9.259 -0.864 1.00 0.00 O ATOM 454 CB SER A 32 10.262 7.286 1.706 1.00 0.00 C ATOM 455 OG SER A 32 11.381 8.012 2.183 1.00 0.00 O ATOM 0 H SER A 32 7.927 6.629 0.792 1.00 0.00 H new ATOM 0 HA SER A 32 9.306 9.174 1.332 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.712 6.865 2.548 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.601 6.449 1.096 1.00 0.00 H new ATOM 0 HG SER A 32 11.501 7.837 3.140 1.00 0.00 H new ATOM 461 N SER A 33 9.509 7.353 -1.390 1.00 0.00 N ATOM 462 CA SER A 33 9.953 7.357 -2.779 1.00 0.00 C ATOM 463 C SER A 33 8.941 6.650 -3.675 1.00 0.00 C ATOM 464 O SER A 33 8.015 5.999 -3.190 1.00 0.00 O ATOM 465 CB SER A 33 11.320 6.681 -2.902 1.00 0.00 C ATOM 466 OG SER A 33 12.323 7.436 -2.244 1.00 0.00 O ATOM 0 H SER A 33 8.913 6.564 -1.140 1.00 0.00 H new ATOM 0 HA SER A 33 10.038 8.394 -3.104 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.274 5.680 -2.473 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.579 6.566 -3.955 1.00 0.00 H new ATOM 0 HG SER A 33 11.917 8.221 -1.821 1.00 0.00 H new ATOM 472 N ILE A 34 9.125 6.782 -4.984 1.00 0.00 N ATOM 473 CA ILE A 34 8.229 6.155 -5.948 1.00 0.00 C ATOM 474 C ILE A 34 9.013 5.461 -7.056 1.00 0.00 C ATOM 475 O ILE A 34 9.917 6.047 -7.653 1.00 0.00 O ATOM 476 CB ILE A 34 7.272 7.184 -6.579 1.00 0.00 C ATOM 477 CG1 ILE A 34 6.171 7.565 -5.587 1.00 0.00 C ATOM 478 CG2 ILE A 34 6.669 6.629 -7.861 1.00 0.00 C ATOM 479 CD1 ILE A 34 6.550 8.710 -4.675 1.00 0.00 C ATOM 0 H ILE A 34 9.886 7.317 -5.402 1.00 0.00 H new ATOM 0 HA ILE A 34 7.645 5.415 -5.401 1.00 0.00 H new ATOM 0 HB ILE A 34 7.839 8.082 -6.826 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.272 7.834 -6.141 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.923 6.694 -4.980 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.995 7.367 -8.295 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.466 6.403 -8.570 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.114 5.718 -7.637 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.723 8.926 -3.999 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.431 8.437 -4.095 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.770 9.594 -5.273 1.00 0.00 H new ATOM 491 N ILE A 35 8.660 4.209 -7.327 1.00 0.00 N ATOM 492 CA ILE A 35 9.329 3.435 -8.366 1.00 0.00 C ATOM 493 C ILE A 35 8.691 3.678 -9.729 1.00 0.00 C ATOM 494 O ILE A 35 7.530 4.075 -9.820 1.00 0.00 O ATOM 495 CB ILE A 35 9.293 1.927 -8.056 1.00 0.00 C ATOM 496 CG1 ILE A 35 10.053 1.632 -6.761 1.00 0.00 C ATOM 497 CG2 ILE A 35 9.881 1.134 -9.214 1.00 0.00 C ATOM 498 CD1 ILE A 35 9.711 0.290 -6.153 1.00 0.00 C ATOM 0 H ILE A 35 7.915 3.709 -6.842 1.00 0.00 H new ATOM 0 HA ILE A 35 10.367 3.768 -8.389 1.00 0.00 H new ATOM 0 HB ILE A 35 8.255 1.623 -7.923 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.124 1.669 -6.961 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.837 2.416 -6.036 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.849 0.070 -8.980 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.301 1.325 -10.117 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.915 1.439 -9.376 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.286 0.148 -5.238 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.646 0.256 -5.921 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.953 -0.503 -6.861 1.00 0.00 H new ATOM 510 N GLU A 36 9.458 3.434 -10.788 1.00 0.00 N ATOM 511 CA GLU A 36 8.966 3.626 -12.147 1.00 0.00 C ATOM 512 C GLU A 36 7.481 3.287 -12.241 1.00 0.00 C ATOM 513 O GLU A 36 6.702 4.029 -12.839 1.00 0.00 O ATOM 514 CB GLU A 36 9.760 2.761 -13.127 1.00 0.00 C ATOM 515 CG GLU A 36 11.261 2.993 -13.066 1.00 0.00 C ATOM 516 CD GLU A 36 11.975 2.526 -14.320 1.00 0.00 C ATOM 517 OE1 GLU A 36 11.833 3.193 -15.366 1.00 0.00 O ATOM 518 OE2 GLU A 36 12.675 1.494 -14.254 1.00 0.00 O ATOM 0 H GLU A 36 10.421 3.103 -10.730 1.00 0.00 H new ATOM 0 HA GLU A 36 9.099 4.676 -12.409 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.555 1.711 -12.920 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.411 2.961 -14.140 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.455 4.055 -12.916 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.671 2.469 -12.203 1.00 0.00 H new ATOM 525 N GLN A 37 7.098 2.162 -11.646 1.00 0.00 N ATOM 526 CA GLN A 37 5.707 1.724 -11.664 1.00 0.00 C ATOM 527 C GLN A 37 5.183 1.519 -10.246 1.00 0.00 C ATOM 528 O GLN A 37 4.014 1.784 -9.961 1.00 0.00 O ATOM 529 CB GLN A 37 5.569 0.428 -12.464 1.00 0.00 C ATOM 530 CG GLN A 37 6.551 -0.653 -12.046 1.00 0.00 C ATOM 531 CD GLN A 37 6.889 -1.604 -13.177 1.00 0.00 C ATOM 532 OE1 GLN A 37 6.031 -2.345 -13.658 1.00 0.00 O ATOM 533 NE2 GLN A 37 8.145 -1.589 -13.608 1.00 0.00 N ATOM 0 H GLN A 37 7.731 1.538 -11.146 1.00 0.00 H new ATOM 0 HA GLN A 37 5.113 2.503 -12.142 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.554 0.048 -12.351 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.712 0.647 -13.522 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.467 -0.186 -11.683 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.131 -1.218 -11.214 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.823 -0.959 -13.180 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.431 -2.208 -14.367 1.00 0.00 H new ATOM 542 N LEU A 38 6.053 1.045 -9.362 1.00 0.00 N ATOM 543 CA LEU A 38 5.679 0.804 -7.973 1.00 0.00 C ATOM 544 C LEU A 38 5.940 2.038 -7.116 1.00 0.00 C ATOM 545 O LEU A 38 6.502 3.027 -7.587 1.00 0.00 O ATOM 546 CB LEU A 38 6.453 -0.392 -7.415 1.00 0.00 C ATOM 547 CG LEU A 38 6.300 -1.707 -8.180 1.00 0.00 C ATOM 548 CD1 LEU A 38 4.946 -1.770 -8.868 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.424 -1.867 -9.195 1.00 0.00 C ATOM 0 H LEU A 38 7.023 0.820 -9.582 1.00 0.00 H new ATOM 0 HA LEU A 38 4.612 0.584 -7.944 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.511 -0.133 -7.386 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.137 -0.555 -6.385 1.00 0.00 H new ATOM 0 HG LEU A 38 6.361 -2.529 -7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.855 -2.713 -9.407 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.155 -1.702 -8.121 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.855 -0.941 -9.569 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.299 -2.808 -9.730 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.395 -1.040 -9.904 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.384 -1.868 -8.678 1.00 0.00 H new ATOM 561 N VAL A 39 5.529 1.973 -5.853 1.00 0.00 N ATOM 562 CA VAL A 39 5.721 3.084 -4.929 1.00 0.00 C ATOM 563 C VAL A 39 6.431 2.626 -3.660 1.00 0.00 C ATOM 564 O VAL A 39 6.184 1.528 -3.160 1.00 0.00 O ATOM 565 CB VAL A 39 4.379 3.735 -4.547 1.00 0.00 C ATOM 566 CG1 VAL A 39 4.585 4.793 -3.474 1.00 0.00 C ATOM 567 CG2 VAL A 39 3.708 4.332 -5.774 1.00 0.00 C ATOM 0 H VAL A 39 5.061 1.163 -5.447 1.00 0.00 H new ATOM 0 HA VAL A 39 6.339 3.820 -5.443 1.00 0.00 H new ATOM 0 HB VAL A 39 3.723 2.964 -4.142 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.626 5.242 -3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.019 4.332 -2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.258 5.564 -3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.761 4.788 -5.485 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.357 5.091 -6.211 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.524 3.546 -6.507 1.00 0.00 H new ATOM 577 N ILE A 40 7.314 3.475 -3.143 1.00 0.00 N ATOM 578 CA ILE A 40 8.058 3.158 -1.931 1.00 0.00 C ATOM 579 C ILE A 40 7.497 3.909 -0.728 1.00 0.00 C ATOM 580 O ILE A 40 7.336 5.130 -0.766 1.00 0.00 O ATOM 581 CB ILE A 40 9.553 3.498 -2.082 1.00 0.00 C ATOM 582 CG1 ILE A 40 10.130 2.815 -3.325 1.00 0.00 C ATOM 583 CG2 ILE A 40 10.320 3.080 -0.837 1.00 0.00 C ATOM 584 CD1 ILE A 40 10.235 1.312 -3.194 1.00 0.00 C ATOM 0 H ILE A 40 7.531 4.387 -3.545 1.00 0.00 H new ATOM 0 HA ILE A 40 7.952 2.085 -1.768 1.00 0.00 H new ATOM 0 HB ILE A 40 9.655 4.577 -2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.504 3.054 -4.185 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.120 3.224 -3.528 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.375 3.327 -0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.922 3.608 0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.214 2.005 -0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.651 0.895 -4.111 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.885 1.064 -2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.244 0.892 -3.022 1.00 0.00 H new ATOM 596 N ILE A 41 7.202 3.173 0.338 1.00 0.00 N ATOM 597 CA ILE A 41 6.662 3.771 1.553 1.00 0.00 C ATOM 598 C ILE A 41 7.572 3.507 2.747 1.00 0.00 C ATOM 599 O ILE A 41 7.832 2.357 3.099 1.00 0.00 O ATOM 600 CB ILE A 41 5.253 3.233 1.866 1.00 0.00 C ATOM 601 CG1 ILE A 41 4.317 3.469 0.679 1.00 0.00 C ATOM 602 CG2 ILE A 41 4.702 3.891 3.122 1.00 0.00 C ATOM 603 CD1 ILE A 41 3.227 2.429 0.553 1.00 0.00 C ATOM 0 H ILE A 41 7.328 2.162 0.385 1.00 0.00 H new ATOM 0 HA ILE A 41 6.601 4.845 1.377 1.00 0.00 H new ATOM 0 HB ILE A 41 5.321 2.159 2.042 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.859 4.453 0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.904 3.481 -0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.706 3.501 3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.360 3.675 3.964 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.645 4.969 2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.602 2.660 -0.310 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.677 1.445 0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.615 2.432 1.455 1.00 0.00 H new ATOM 615 N GLU A 42 8.052 4.581 3.367 1.00 0.00 N ATOM 616 CA GLU A 42 8.933 4.464 4.523 1.00 0.00 C ATOM 617 C GLU A 42 8.125 4.315 5.810 1.00 0.00 C ATOM 618 O GLU A 42 7.170 5.054 6.045 1.00 0.00 O ATOM 619 CB GLU A 42 9.847 5.687 4.621 1.00 0.00 C ATOM 620 CG GLU A 42 10.558 5.810 5.958 1.00 0.00 C ATOM 621 CD GLU A 42 11.317 7.115 6.097 1.00 0.00 C ATOM 622 OE1 GLU A 42 11.837 7.612 5.076 1.00 0.00 O ATOM 623 OE2 GLU A 42 11.392 7.640 7.228 1.00 0.00 O ATOM 0 H GLU A 42 7.846 5.540 3.088 1.00 0.00 H new ATOM 0 HA GLU A 42 9.545 3.571 4.393 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.591 5.638 3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.256 6.587 4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.827 5.732 6.763 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.251 4.977 6.075 1.00 0.00 H new ATOM 630 N SER A 43 8.517 3.352 6.639 1.00 0.00 N ATOM 631 CA SER A 43 7.827 3.102 7.899 1.00 0.00 C ATOM 632 C SER A 43 8.344 4.031 8.994 1.00 0.00 C ATOM 633 O SER A 43 9.294 4.784 8.787 1.00 0.00 O ATOM 634 CB SER A 43 8.010 1.644 8.324 1.00 0.00 C ATOM 635 OG SER A 43 7.784 0.764 7.236 1.00 0.00 O ATOM 0 H SER A 43 9.308 2.733 6.461 1.00 0.00 H new ATOM 0 HA SER A 43 6.765 3.299 7.750 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.019 1.498 8.710 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.321 1.409 9.135 1.00 0.00 H new ATOM 0 HG SER A 43 8.613 0.658 6.724 1.00 0.00 H new ATOM 641 N MET A 44 7.709 3.971 10.160 1.00 0.00 N ATOM 642 CA MET A 44 8.104 4.805 11.289 1.00 0.00 C ATOM 643 C MET A 44 8.609 3.950 12.446 1.00 0.00 C ATOM 644 O MET A 44 9.807 3.920 12.733 1.00 0.00 O ATOM 645 CB MET A 44 6.926 5.665 11.752 1.00 0.00 C ATOM 646 CG MET A 44 5.943 5.997 10.641 1.00 0.00 C ATOM 647 SD MET A 44 5.100 7.569 10.906 1.00 0.00 S ATOM 648 CE MET A 44 5.211 8.293 9.272 1.00 0.00 C ATOM 0 H MET A 44 6.919 3.354 10.348 1.00 0.00 H new ATOM 0 HA MET A 44 8.914 5.457 10.961 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.397 5.143 12.550 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.309 6.593 12.177 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.474 6.030 9.689 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.203 5.200 10.566 1.00 0.00 H new ATOM 0 HE1 MET A 44 4.732 9.272 9.275 1.00 0.00 H new ATOM 0 HE2 MET A 44 6.259 8.402 8.993 1.00 0.00 H new ATOM 0 HE3 MET A 44 4.710 7.646 8.552 1.00 0.00 H new ATOM 658 N THR A 45 7.690 3.256 13.110 1.00 0.00 N ATOM 659 CA THR A 45 8.042 2.402 14.237 1.00 0.00 C ATOM 660 C THR A 45 6.823 1.653 14.762 1.00 0.00 C ATOM 661 O THR A 45 5.696 1.910 14.340 1.00 0.00 O ATOM 662 CB THR A 45 8.665 3.216 15.386 1.00 0.00 C ATOM 663 OG1 THR A 45 8.993 2.351 16.478 1.00 0.00 O ATOM 664 CG2 THR A 45 7.709 4.300 15.861 1.00 0.00 C ATOM 0 H THR A 45 6.695 3.269 12.886 1.00 0.00 H new ATOM 0 HA THR A 45 8.776 1.684 13.871 1.00 0.00 H new ATOM 0 HB THR A 45 9.573 3.691 15.014 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.390 2.876 17.204 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.171 4.862 16.673 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.484 4.974 15.035 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.786 3.841 16.216 1.00 0.00 H new ATOM 672 N ASN A 46 7.055 0.727 15.687 1.00 0.00 N ATOM 673 CA ASN A 46 5.974 -0.059 16.270 1.00 0.00 C ATOM 674 C ASN A 46 5.118 -0.699 15.181 1.00 0.00 C ATOM 675 O ASN A 46 3.907 -0.855 15.340 1.00 0.00 O ATOM 676 CB ASN A 46 5.102 0.822 17.167 1.00 0.00 C ATOM 677 CG ASN A 46 4.456 0.039 18.294 1.00 0.00 C ATOM 678 OD1 ASN A 46 4.891 0.109 19.443 1.00 0.00 O ATOM 679 ND2 ASN A 46 3.410 -0.712 17.968 1.00 0.00 N ATOM 0 H ASN A 46 7.982 0.503 16.049 1.00 0.00 H new ATOM 0 HA ASN A 46 6.418 -0.852 16.871 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.710 1.623 17.587 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.326 1.294 16.564 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.933 -1.261 18.684 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.083 -0.740 17.002 1.00 0.00 H new ATOM 686 N LEU A 47 5.757 -1.070 14.077 1.00 0.00 N ATOM 687 CA LEU A 47 5.055 -1.695 12.961 1.00 0.00 C ATOM 688 C LEU A 47 4.870 -3.189 13.202 1.00 0.00 C ATOM 689 O LEU A 47 5.817 -3.916 13.505 1.00 0.00 O ATOM 690 CB LEU A 47 5.823 -1.468 11.658 1.00 0.00 C ATOM 691 CG LEU A 47 5.458 -0.207 10.874 1.00 0.00 C ATOM 692 CD1 LEU A 47 6.311 0.968 11.326 1.00 0.00 C ATOM 693 CD2 LEU A 47 5.621 -0.443 9.379 1.00 0.00 C ATOM 0 H LEU A 47 6.759 -0.949 13.931 1.00 0.00 H new ATOM 0 HA LEU A 47 4.070 -1.234 12.880 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.888 -1.433 11.889 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.666 -2.332 11.012 1.00 0.00 H new ATOM 0 HG LEU A 47 4.413 0.032 11.072 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.037 1.857 10.757 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.145 1.151 12.388 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.363 0.740 11.158 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.357 0.465 8.836 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.656 -0.707 9.163 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.967 -1.256 9.066 1.00 0.00 H new ATOM 705 N PRO A 48 3.623 -3.662 13.063 1.00 0.00 N ATOM 706 CA PRO A 48 3.285 -5.075 13.259 1.00 0.00 C ATOM 707 C PRO A 48 3.849 -5.964 12.156 1.00 0.00 C ATOM 708 O PRO A 48 4.182 -5.504 11.064 1.00 0.00 O ATOM 709 CB PRO A 48 1.755 -5.082 13.221 1.00 0.00 C ATOM 710 CG PRO A 48 1.390 -3.884 12.415 1.00 0.00 C ATOM 711 CD PRO A 48 2.446 -2.853 12.704 1.00 0.00 C ATOM 0 HA PRO A 48 3.704 -5.470 14.185 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.375 -5.996 12.766 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.334 -5.027 14.225 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.359 -4.123 11.352 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.401 -3.517 12.688 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.641 -2.223 11.836 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.150 -2.191 13.518 1.00 0.00 H new ATOM 719 N PRO A 49 3.960 -7.269 12.446 1.00 0.00 N ATOM 720 CA PRO A 49 4.484 -8.250 11.491 1.00 0.00 C ATOM 721 C PRO A 49 3.530 -8.490 10.325 1.00 0.00 C ATOM 722 O PRO A 49 2.786 -9.470 10.310 1.00 0.00 O ATOM 723 CB PRO A 49 4.630 -9.521 12.332 1.00 0.00 C ATOM 724 CG PRO A 49 3.641 -9.361 13.435 1.00 0.00 C ATOM 725 CD PRO A 49 3.583 -7.887 13.728 1.00 0.00 C ATOM 0 HA PRO A 49 5.415 -7.916 11.033 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.423 -10.413 11.741 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.643 -9.624 12.721 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.662 -9.739 13.140 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.947 -9.923 14.318 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.586 -7.579 14.045 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.271 -7.609 14.526 1.00 0.00 H new ATOM 733 N VAL A 50 3.559 -7.588 9.348 1.00 0.00 N ATOM 734 CA VAL A 50 2.698 -7.702 8.177 1.00 0.00 C ATOM 735 C VAL A 50 3.461 -8.276 6.988 1.00 0.00 C ATOM 736 O VAL A 50 4.593 -7.879 6.714 1.00 0.00 O ATOM 737 CB VAL A 50 2.104 -6.337 7.782 1.00 0.00 C ATOM 738 CG1 VAL A 50 0.784 -6.101 8.498 1.00 0.00 C ATOM 739 CG2 VAL A 50 3.091 -5.220 8.083 1.00 0.00 C ATOM 0 H VAL A 50 4.169 -6.771 9.345 1.00 0.00 H new ATOM 0 HA VAL A 50 1.887 -8.379 8.445 1.00 0.00 H new ATOM 0 HB VAL A 50 1.911 -6.341 6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.380 -5.132 8.206 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.077 -6.885 8.226 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.947 -6.117 9.576 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.655 -4.263 7.798 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.318 -5.212 9.149 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.009 -5.383 7.518 1.00 0.00 H new ATOM 749 N ASN A 51 2.833 -9.213 6.285 1.00 0.00 N ATOM 750 CA ASN A 51 3.453 -9.842 5.125 1.00 0.00 C ATOM 751 C ASN A 51 3.019 -9.152 3.835 1.00 0.00 C ATOM 752 O ASN A 51 2.180 -8.252 3.854 1.00 0.00 O ATOM 753 CB ASN A 51 3.090 -11.327 5.069 1.00 0.00 C ATOM 754 CG ASN A 51 3.410 -12.050 6.364 1.00 0.00 C ATOM 755 OD1 ASN A 51 2.533 -12.652 6.984 1.00 0.00 O ATOM 756 ND2 ASN A 51 4.670 -11.992 6.777 1.00 0.00 N ATOM 0 H ASN A 51 1.895 -9.553 6.499 1.00 0.00 H new ATOM 0 HA ASN A 51 4.534 -9.743 5.224 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.027 -11.430 4.851 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.631 -11.800 4.249 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.945 -12.458 7.641 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.363 -11.481 6.230 1.00 0.00 H new ATOM 763 N GLU A 52 3.596 -9.582 2.717 1.00 0.00 N ATOM 764 CA GLU A 52 3.268 -9.005 1.419 1.00 0.00 C ATOM 765 C GLU A 52 1.762 -9.035 1.174 1.00 0.00 C ATOM 766 O GLU A 52 1.153 -8.012 0.863 1.00 0.00 O ATOM 767 CB GLU A 52 3.992 -9.761 0.303 1.00 0.00 C ATOM 768 CG GLU A 52 5.503 -9.784 0.464 1.00 0.00 C ATOM 769 CD GLU A 52 6.215 -10.275 -0.781 1.00 0.00 C ATOM 770 OE1 GLU A 52 5.526 -10.608 -1.767 1.00 0.00 O ATOM 771 OE2 GLU A 52 7.463 -10.325 -0.769 1.00 0.00 O ATOM 0 H GLU A 52 4.292 -10.327 2.684 1.00 0.00 H new ATOM 0 HA GLU A 52 3.598 -7.966 1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.623 -10.786 0.271 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.744 -9.303 -0.655 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.854 -8.781 0.707 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.765 -10.426 1.305 1.00 0.00 H new ATOM 778 N GLU A 53 1.169 -10.216 1.318 1.00 0.00 N ATOM 779 CA GLU A 53 -0.265 -10.380 1.111 1.00 0.00 C ATOM 780 C GLU A 53 -1.045 -9.260 1.793 1.00 0.00 C ATOM 781 O GLU A 53 -2.186 -8.972 1.432 1.00 0.00 O ATOM 782 CB GLU A 53 -0.728 -11.737 1.645 1.00 0.00 C ATOM 783 CG GLU A 53 -2.239 -11.878 1.721 1.00 0.00 C ATOM 784 CD GLU A 53 -2.677 -13.290 2.059 1.00 0.00 C ATOM 785 OE1 GLU A 53 -1.882 -14.026 2.679 1.00 0.00 O ATOM 786 OE2 GLU A 53 -3.817 -13.658 1.703 1.00 0.00 O ATOM 0 H GLU A 53 1.659 -11.072 1.577 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.459 -10.334 0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.330 -12.525 1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.307 -11.890 2.639 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.627 -11.191 2.474 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.676 -11.585 0.766 1.00 0.00 H new ATOM 793 N THR A 54 -0.420 -8.630 2.784 1.00 0.00 N ATOM 794 CA THR A 54 -1.054 -7.543 3.519 1.00 0.00 C ATOM 795 C THR A 54 -1.460 -6.410 2.583 1.00 0.00 C ATOM 796 O THR A 54 -0.722 -6.057 1.663 1.00 0.00 O ATOM 797 CB THR A 54 -0.122 -6.984 4.610 1.00 0.00 C ATOM 798 OG1 THR A 54 0.308 -8.040 5.476 1.00 0.00 O ATOM 799 CG2 THR A 54 -0.825 -5.908 5.423 1.00 0.00 C ATOM 0 H THR A 54 0.525 -8.855 3.095 1.00 0.00 H new ATOM 0 HA THR A 54 -1.945 -7.958 3.991 1.00 0.00 H new ATOM 0 HB THR A 54 0.746 -6.539 4.123 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.882 -8.658 4.978 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.147 -5.528 6.187 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.124 -5.092 4.765 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.709 -6.332 5.900 1.00 0.00 H new ATOM 807 N VAL A 55 -2.638 -5.843 2.824 1.00 0.00 N ATOM 808 CA VAL A 55 -3.142 -4.749 2.003 1.00 0.00 C ATOM 809 C VAL A 55 -2.868 -3.400 2.659 1.00 0.00 C ATOM 810 O VAL A 55 -2.958 -3.262 3.879 1.00 0.00 O ATOM 811 CB VAL A 55 -4.655 -4.887 1.749 1.00 0.00 C ATOM 812 CG1 VAL A 55 -5.118 -3.871 0.717 1.00 0.00 C ATOM 813 CG2 VAL A 55 -4.993 -6.302 1.307 1.00 0.00 C ATOM 0 H VAL A 55 -3.261 -6.123 3.581 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.616 -4.800 1.050 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.183 -4.687 2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.189 -3.984 0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.911 -2.864 1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.586 -4.036 -0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.066 -6.382 1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.457 -6.534 0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.699 -7.006 2.085 1.00 0.00 H new ATOM 823 N ILE A 56 -2.535 -2.407 1.841 1.00 0.00 N ATOM 824 CA ILE A 56 -2.250 -1.068 2.341 1.00 0.00 C ATOM 825 C ILE A 56 -3.421 -0.125 2.085 1.00 0.00 C ATOM 826 O ILE A 56 -3.791 0.125 0.937 1.00 0.00 O ATOM 827 CB ILE A 56 -0.982 -0.483 1.693 1.00 0.00 C ATOM 828 CG1 ILE A 56 0.183 -1.466 1.821 1.00 0.00 C ATOM 829 CG2 ILE A 56 -0.628 0.852 2.332 1.00 0.00 C ATOM 830 CD1 ILE A 56 0.299 -2.090 3.194 1.00 0.00 C ATOM 0 H ILE A 56 -2.456 -2.505 0.829 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.089 -1.160 3.415 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.177 -0.316 0.634 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.064 -2.257 1.080 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.113 -0.948 1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.271 1.253 1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.452 1.552 2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.448 0.709 3.398 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.146 -2.776 3.212 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.450 -1.308 3.938 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.615 -2.637 3.423 1.00 0.00 H new ATOM 842 N PHE A 57 -3.999 0.398 3.161 1.00 0.00 N ATOM 843 CA PHE A 57 -5.128 1.315 3.053 1.00 0.00 C ATOM 844 C PHE A 57 -4.650 2.764 3.027 1.00 0.00 C ATOM 845 O PHE A 57 -3.718 3.136 3.741 1.00 0.00 O ATOM 846 CB PHE A 57 -6.096 1.106 4.219 1.00 0.00 C ATOM 847 CG PHE A 57 -6.933 -0.134 4.088 1.00 0.00 C ATOM 848 CD1 PHE A 57 -6.339 -1.386 4.046 1.00 0.00 C ATOM 849 CD2 PHE A 57 -8.314 -0.049 4.007 1.00 0.00 C ATOM 850 CE1 PHE A 57 -7.107 -2.528 3.925 1.00 0.00 C ATOM 851 CE2 PHE A 57 -9.087 -1.188 3.886 1.00 0.00 C ATOM 852 CZ PHE A 57 -8.483 -2.429 3.846 1.00 0.00 C ATOM 0 H PHE A 57 -3.704 0.203 4.118 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.647 1.105 2.118 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.528 1.055 5.148 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.753 1.972 4.295 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.264 -1.469 4.109 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.792 0.919 4.039 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.632 -3.497 3.892 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.162 -1.108 3.823 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.085 -3.321 3.753 1.00 0.00 H new ATOM 862 N LYS A 58 -5.295 3.579 2.199 1.00 0.00 N ATOM 863 CA LYS A 58 -4.939 4.988 2.079 1.00 0.00 C ATOM 864 C LYS A 58 -5.562 5.804 3.207 1.00 0.00 C ATOM 865 O LYS A 58 -6.425 5.316 3.936 1.00 0.00 O ATOM 866 CB LYS A 58 -5.395 5.537 0.726 1.00 0.00 C ATOM 867 CG LYS A 58 -4.403 5.287 -0.397 1.00 0.00 C ATOM 868 CD LYS A 58 -5.104 5.141 -1.738 1.00 0.00 C ATOM 869 CE LYS A 58 -6.133 6.240 -1.952 1.00 0.00 C ATOM 870 NZ LYS A 58 -6.827 6.102 -3.262 1.00 0.00 N ATOM 0 H LYS A 58 -6.068 3.287 1.601 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.854 5.071 2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.351 5.084 0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.565 6.610 0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.691 6.111 -0.445 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.831 4.384 -0.184 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.367 5.170 -2.540 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.593 4.168 -1.790 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.867 6.212 -1.147 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.642 7.212 -1.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.592 6.915 -3.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.519 5.224 -3.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.855 6.070 -3.109 1.00 0.00 H new ATOM 884 N SER A 59 -5.120 7.051 3.343 1.00 0.00 N ATOM 885 CA SER A 59 -5.633 7.934 4.384 1.00 0.00 C ATOM 886 C SER A 59 -7.102 8.265 4.139 1.00 0.00 C ATOM 887 O SER A 59 -7.761 8.875 4.982 1.00 0.00 O ATOM 888 CB SER A 59 -4.810 9.223 4.439 1.00 0.00 C ATOM 889 OG SER A 59 -5.033 10.020 3.289 1.00 0.00 O ATOM 0 H SER A 59 -4.408 7.472 2.746 1.00 0.00 H new ATOM 0 HA SER A 59 -5.549 7.417 5.340 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.073 9.788 5.333 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.751 8.979 4.516 1.00 0.00 H new ATOM 0 HG SER A 59 -4.497 10.838 3.349 1.00 0.00 H new ATOM 895 N ASP A 60 -7.608 7.860 2.980 1.00 0.00 N ATOM 896 CA ASP A 60 -9.000 8.112 2.624 1.00 0.00 C ATOM 897 C ASP A 60 -9.841 6.851 2.792 1.00 0.00 C ATOM 898 O ASP A 60 -10.985 6.790 2.340 1.00 0.00 O ATOM 899 CB ASP A 60 -9.096 8.615 1.183 1.00 0.00 C ATOM 900 CG ASP A 60 -10.322 9.477 0.951 1.00 0.00 C ATOM 901 OD1 ASP A 60 -11.446 8.984 1.182 1.00 0.00 O ATOM 902 OD2 ASP A 60 -10.157 10.644 0.540 1.00 0.00 O ATOM 0 H ASP A 60 -7.076 7.356 2.271 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.388 8.878 3.295 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.201 9.188 0.941 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.121 7.762 0.505 1.00 0.00 H new ATOM 907 N ARG A 61 -9.266 5.845 3.444 1.00 0.00 N ATOM 908 CA ARG A 61 -9.962 4.584 3.670 1.00 0.00 C ATOM 909 C ARG A 61 -10.152 3.825 2.360 1.00 0.00 C ATOM 910 O ARG A 61 -11.186 3.195 2.141 1.00 0.00 O ATOM 911 CB ARG A 61 -11.321 4.837 4.326 1.00 0.00 C ATOM 912 CG ARG A 61 -11.272 5.852 5.456 1.00 0.00 C ATOM 913 CD ARG A 61 -12.341 5.575 6.501 1.00 0.00 C ATOM 914 NE ARG A 61 -11.908 4.577 7.476 1.00 0.00 N ATOM 915 CZ ARG A 61 -11.165 4.864 8.539 1.00 0.00 C ATOM 916 NH1 ARG A 61 -10.776 6.111 8.764 1.00 0.00 N ATOM 917 NH2 ARG A 61 -10.811 3.901 9.381 1.00 0.00 N ATOM 0 H ARG A 61 -8.320 5.879 3.825 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.351 3.976 4.337 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.022 5.184 3.567 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.710 3.895 4.712 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.288 5.828 5.925 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.408 6.855 5.052 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.592 6.502 7.018 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.249 5.229 6.008 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.191 3.608 7.333 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.047 6.854 8.120 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.206 6.328 9.581 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.109 2.940 9.212 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.240 4.122 10.197 1.00 0.00 H new ATOM 931 N GLN A 62 -9.146 3.891 1.493 1.00 0.00 N ATOM 932 CA GLN A 62 -9.203 3.212 0.204 1.00 0.00 C ATOM 933 C GLN A 62 -7.971 2.337 -0.005 1.00 0.00 C ATOM 934 O GLN A 62 -6.852 2.839 -0.105 1.00 0.00 O ATOM 935 CB GLN A 62 -9.318 4.232 -0.930 1.00 0.00 C ATOM 936 CG GLN A 62 -10.752 4.569 -1.302 1.00 0.00 C ATOM 937 CD GLN A 62 -10.853 5.803 -2.178 1.00 0.00 C ATOM 938 OE1 GLN A 62 -10.643 6.971 -1.582 1.00 0.00 O flip ATOM 939 NE2 GLN A 62 -11.118 5.707 -3.377 1.00 0.00 N flip ATOM 0 H GLN A 62 -8.282 4.408 1.660 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.086 2.573 0.197 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.803 5.147 -0.638 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.805 3.844 -1.810 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.197 3.721 -1.823 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.332 4.725 -0.393 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.272 4.789 -3.793 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.184 6.546 -3.954 1.00 0.00 H new ATOM 948 N ALA A 63 -8.186 1.027 -0.069 1.00 0.00 N ATOM 949 CA ALA A 63 -7.093 0.083 -0.267 1.00 0.00 C ATOM 950 C ALA A 63 -6.230 0.485 -1.458 1.00 0.00 C ATOM 951 O ALA A 63 -6.547 0.165 -2.603 1.00 0.00 O ATOM 952 CB ALA A 63 -7.639 -1.324 -0.460 1.00 0.00 C ATOM 0 H ALA A 63 -9.107 0.596 0.013 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.466 0.099 0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.812 -2.018 -0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.207 -1.618 0.422 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.290 -1.345 -1.334 1.00 0.00 H new ATOM 958 N ALA A 64 -5.137 1.190 -1.181 1.00 0.00 N ATOM 959 CA ALA A 64 -4.228 1.635 -2.229 1.00 0.00 C ATOM 960 C ALA A 64 -3.677 0.451 -3.017 1.00 0.00 C ATOM 961 O ALA A 64 -3.361 0.573 -4.199 1.00 0.00 O ATOM 962 CB ALA A 64 -3.090 2.448 -1.631 1.00 0.00 C ATOM 0 H ALA A 64 -4.860 1.465 -0.239 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.789 2.267 -2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.419 2.774 -2.426 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.496 3.320 -1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.538 1.833 -0.920 1.00 0.00 H new ATOM 968 N GLY A 65 -3.564 -0.695 -2.352 1.00 0.00 N ATOM 969 CA GLY A 65 -3.051 -1.885 -3.006 1.00 0.00 C ATOM 970 C GLY A 65 -2.316 -2.801 -2.049 1.00 0.00 C ATOM 971 O GLY A 65 -2.095 -2.452 -0.889 1.00 0.00 O ATOM 0 H GLY A 65 -3.819 -0.820 -1.372 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.877 -2.430 -3.463 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.378 -1.592 -3.812 1.00 0.00 H new ATOM 975 N LYS A 66 -1.936 -3.979 -2.533 1.00 0.00 N ATOM 976 CA LYS A 66 -1.222 -4.950 -1.713 1.00 0.00 C ATOM 977 C LYS A 66 0.285 -4.824 -1.909 1.00 0.00 C ATOM 978 O LYS A 66 0.753 -4.489 -2.998 1.00 0.00 O ATOM 979 CB LYS A 66 -1.675 -6.371 -2.058 1.00 0.00 C ATOM 980 CG LYS A 66 -2.848 -6.855 -1.223 1.00 0.00 C ATOM 981 CD LYS A 66 -3.272 -8.259 -1.619 1.00 0.00 C ATOM 982 CE LYS A 66 -4.712 -8.540 -1.220 1.00 0.00 C ATOM 983 NZ LYS A 66 -5.118 -9.934 -1.551 1.00 0.00 N ATOM 0 H LYS A 66 -2.111 -4.284 -3.490 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.453 -4.745 -0.668 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.950 -6.410 -3.112 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.836 -7.054 -1.922 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.575 -6.840 -0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.689 -6.172 -1.345 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.161 -8.383 -2.696 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.613 -8.986 -1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.832 -8.371 -0.150 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.373 -7.839 -1.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.106 -10.085 -1.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.028 -10.088 -2.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.504 -10.604 -1.045 1.00 0.00 H new ATOM 997 N ILE A 67 1.040 -5.095 -0.849 1.00 0.00 N ATOM 998 CA ILE A 67 2.494 -5.014 -0.907 1.00 0.00 C ATOM 999 C ILE A 67 3.046 -5.848 -2.058 1.00 0.00 C ATOM 1000 O ILE A 67 2.672 -7.007 -2.235 1.00 0.00 O ATOM 1001 CB ILE A 67 3.137 -5.489 0.410 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.014 -4.405 1.483 1.00 0.00 C ATOM 1003 CG2 ILE A 67 4.596 -5.856 0.185 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.964 -4.952 2.892 1.00 0.00 C ATOM 0 H ILE A 67 0.669 -5.372 0.060 1.00 0.00 H new ATOM 0 HA ILE A 67 2.745 -3.966 -1.068 1.00 0.00 H new ATOM 0 HB ILE A 67 2.608 -6.377 0.755 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.859 -3.722 1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.113 -3.821 1.296 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.036 -6.190 1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.660 -6.658 -0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.138 -4.984 -0.180 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.877 -4.127 3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.103 -5.612 2.996 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.877 -5.511 3.098 1.00 0.00 H new ATOM 1016 N PHE A 68 3.940 -5.250 -2.839 1.00 0.00 N ATOM 1017 CA PHE A 68 4.545 -5.937 -3.974 1.00 0.00 C ATOM 1018 C PHE A 68 5.976 -6.360 -3.654 1.00 0.00 C ATOM 1019 O PHE A 68 6.532 -7.244 -4.303 1.00 0.00 O ATOM 1020 CB PHE A 68 4.533 -5.034 -5.209 1.00 0.00 C ATOM 1021 CG PHE A 68 5.601 -5.372 -6.209 1.00 0.00 C ATOM 1022 CD1 PHE A 68 5.451 -6.452 -7.065 1.00 0.00 C ATOM 1023 CD2 PHE A 68 6.755 -4.610 -6.295 1.00 0.00 C ATOM 1024 CE1 PHE A 68 6.433 -6.766 -7.985 1.00 0.00 C ATOM 1025 CE2 PHE A 68 7.740 -4.918 -7.214 1.00 0.00 C ATOM 1026 CZ PHE A 68 7.578 -5.997 -8.061 1.00 0.00 C ATOM 0 H PHE A 68 4.261 -4.291 -2.706 1.00 0.00 H new ATOM 0 HA PHE A 68 3.958 -6.832 -4.180 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.558 -5.105 -5.692 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.657 -3.998 -4.893 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.556 -7.055 -7.012 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.886 -3.765 -5.636 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.305 -7.612 -8.644 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.635 -4.316 -7.270 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.345 -6.239 -8.781 1.00 0.00 H new ATOM 1036 N GLU A 69 6.565 -5.720 -2.648 1.00 0.00 N ATOM 1037 CA GLU A 69 7.931 -6.028 -2.243 1.00 0.00 C ATOM 1038 C GLU A 69 8.299 -5.288 -0.960 1.00 0.00 C ATOM 1039 O GLU A 69 7.776 -4.208 -0.683 1.00 0.00 O ATOM 1040 CB GLU A 69 8.913 -5.659 -3.357 1.00 0.00 C ATOM 1041 CG GLU A 69 10.369 -5.711 -2.926 1.00 0.00 C ATOM 1042 CD GLU A 69 11.311 -5.982 -4.084 1.00 0.00 C ATOM 1043 OE1 GLU A 69 11.398 -7.151 -4.515 1.00 0.00 O ATOM 1044 OE2 GLU A 69 11.959 -5.027 -4.558 1.00 0.00 O ATOM 0 H GLU A 69 6.117 -4.986 -2.099 1.00 0.00 H new ATOM 0 HA GLU A 69 7.993 -7.100 -2.054 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.767 -6.337 -4.198 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.684 -4.655 -3.714 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.639 -4.765 -2.457 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.493 -6.488 -2.172 1.00 0.00 H new ATOM 1051 N ILE A 70 9.200 -5.877 -0.181 1.00 0.00 N ATOM 1052 CA ILE A 70 9.638 -5.274 1.071 1.00 0.00 C ATOM 1053 C ILE A 70 11.153 -5.351 1.218 1.00 0.00 C ATOM 1054 O ILE A 70 11.753 -6.409 1.028 1.00 0.00 O ATOM 1055 CB ILE A 70 8.980 -5.957 2.285 1.00 0.00 C ATOM 1056 CG1 ILE A 70 7.467 -6.059 2.082 1.00 0.00 C ATOM 1057 CG2 ILE A 70 9.298 -5.191 3.560 1.00 0.00 C ATOM 1058 CD1 ILE A 70 6.758 -6.807 3.189 1.00 0.00 C ATOM 0 H ILE A 70 9.641 -6.772 -0.395 1.00 0.00 H new ATOM 0 HA ILE A 70 9.331 -4.228 1.042 1.00 0.00 H new ATOM 0 HB ILE A 70 9.384 -6.965 2.379 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.050 -5.055 2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.269 -6.557 1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.826 -5.686 4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.377 -5.165 3.709 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.919 -4.173 3.477 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.689 -6.840 2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.148 -7.823 3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.926 -6.297 4.138 1.00 0.00 H new ATOM 1070 N PHE A 71 11.767 -4.223 1.561 1.00 0.00 N ATOM 1071 CA PHE A 71 13.214 -4.163 1.735 1.00 0.00 C ATOM 1072 C PHE A 71 13.583 -3.256 2.905 1.00 0.00 C ATOM 1073 O PHE A 71 12.725 -2.594 3.487 1.00 0.00 O ATOM 1074 CB PHE A 71 13.882 -3.659 0.454 1.00 0.00 C ATOM 1075 CG PHE A 71 13.399 -2.306 0.018 1.00 0.00 C ATOM 1076 CD1 PHE A 71 13.985 -1.153 0.515 1.00 0.00 C ATOM 1077 CD2 PHE A 71 12.359 -2.186 -0.889 1.00 0.00 C ATOM 1078 CE1 PHE A 71 13.543 0.094 0.116 1.00 0.00 C ATOM 1079 CE2 PHE A 71 11.913 -0.942 -1.293 1.00 0.00 C ATOM 1080 CZ PHE A 71 12.505 0.200 -0.789 1.00 0.00 C ATOM 0 H PHE A 71 11.285 -3.339 1.724 1.00 0.00 H new ATOM 0 HA PHE A 71 13.572 -5.170 1.951 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.960 -3.619 0.608 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.701 -4.376 -0.347 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.797 -1.230 1.223 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.891 -3.075 -1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 71 14.009 0.985 0.511 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.102 -0.863 -2.002 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.157 1.173 -1.102 1.00 0.00 H new ATOM 1090 N GLY A 72 14.869 -3.233 3.245 1.00 0.00 N ATOM 1091 CA GLY A 72 15.330 -2.405 4.345 1.00 0.00 C ATOM 1092 C GLY A 72 15.618 -3.211 5.596 1.00 0.00 C ATOM 1093 O GLY A 72 15.721 -4.437 5.560 1.00 0.00 O ATOM 0 H GLY A 72 15.599 -3.772 2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.233 -1.874 4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.576 -1.650 4.568 1.00 0.00 H new ATOM 1097 N PRO A 73 15.753 -2.515 6.734 1.00 0.00 N ATOM 1098 CA PRO A 73 16.034 -3.153 8.024 1.00 0.00 C ATOM 1099 C PRO A 73 14.848 -3.959 8.542 1.00 0.00 C ATOM 1100 O PRO A 73 13.927 -4.280 7.791 1.00 0.00 O ATOM 1101 CB PRO A 73 16.323 -1.970 8.950 1.00 0.00 C ATOM 1102 CG PRO A 73 15.598 -0.822 8.336 1.00 0.00 C ATOM 1103 CD PRO A 73 15.642 -1.051 6.851 1.00 0.00 C ATOM 0 HA PRO A 73 16.854 -3.867 7.955 1.00 0.00 H new ATOM 0 HB2 PRO A 73 15.970 -2.165 9.963 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.393 -1.772 9.017 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.569 -0.774 8.693 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.071 0.124 8.599 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.744 -0.676 6.360 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.492 -0.546 6.392 1.00 0.00 H new ATOM 1111 N VAL A 74 14.876 -4.282 9.832 1.00 0.00 N ATOM 1112 CA VAL A 74 13.802 -5.049 10.451 1.00 0.00 C ATOM 1113 C VAL A 74 12.944 -4.166 11.351 1.00 0.00 C ATOM 1114 O VAL A 74 11.905 -4.595 11.850 1.00 0.00 O ATOM 1115 CB VAL A 74 14.356 -6.223 11.280 1.00 0.00 C ATOM 1116 CG1 VAL A 74 15.144 -5.708 12.475 1.00 0.00 C ATOM 1117 CG2 VAL A 74 13.226 -7.137 11.730 1.00 0.00 C ATOM 0 H VAL A 74 15.631 -4.024 10.468 1.00 0.00 H new ATOM 0 HA VAL A 74 13.188 -5.444 9.641 1.00 0.00 H new ATOM 0 HB VAL A 74 15.033 -6.802 10.651 1.00 0.00 H new ATOM 0 HG11 VAL A 74 15.528 -6.552 13.049 1.00 0.00 H new ATOM 0 HG12 VAL A 74 15.977 -5.098 12.126 1.00 0.00 H new ATOM 0 HG13 VAL A 74 14.493 -5.105 13.108 1.00 0.00 H new ATOM 0 HG21 VAL A 74 13.635 -7.961 12.314 1.00 0.00 H new ATOM 0 HG22 VAL A 74 12.523 -6.572 12.342 1.00 0.00 H new ATOM 0 HG23 VAL A 74 12.709 -7.534 10.856 1.00 0.00 H new ATOM 1127 N ALA A 75 13.387 -2.929 11.552 1.00 0.00 N ATOM 1128 CA ALA A 75 12.659 -1.984 12.390 1.00 0.00 C ATOM 1129 C ALA A 75 12.129 -0.816 11.566 1.00 0.00 C ATOM 1130 O ALA A 75 11.050 -0.289 11.840 1.00 0.00 O ATOM 1131 CB ALA A 75 13.552 -1.478 13.513 1.00 0.00 C ATOM 0 H ALA A 75 14.246 -2.558 11.146 1.00 0.00 H new ATOM 0 HA ALA A 75 11.806 -2.504 12.826 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.996 -0.773 14.131 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.878 -2.319 14.125 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.423 -0.979 13.088 1.00 0.00 H new ATOM 1137 N HIS A 76 12.894 -0.415 10.555 1.00 0.00 N ATOM 1138 CA HIS A 76 12.500 0.692 9.691 1.00 0.00 C ATOM 1139 C HIS A 76 12.472 0.256 8.229 1.00 0.00 C ATOM 1140 O HIS A 76 12.973 0.946 7.340 1.00 0.00 O ATOM 1141 CB HIS A 76 13.460 1.869 9.865 1.00 0.00 C ATOM 1142 CG HIS A 76 13.566 2.351 11.280 1.00 0.00 C ATOM 1143 ND1 HIS A 76 12.498 2.869 11.981 1.00 0.00 N ATOM 1144 CD2 HIS A 76 14.623 2.389 12.125 1.00 0.00 C ATOM 1145 CE1 HIS A 76 12.893 3.207 13.195 1.00 0.00 C ATOM 1146 NE2 HIS A 76 14.179 2.925 13.308 1.00 0.00 N ATOM 0 H HIS A 76 13.789 -0.840 10.314 1.00 0.00 H new ATOM 0 HA HIS A 76 11.496 1.006 9.978 1.00 0.00 H new ATOM 0 HB2 HIS A 76 14.449 1.575 9.515 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.130 2.693 9.233 1.00 0.00 H new ATOM 0 HD1 HIS A 76 11.550 2.975 11.619 1.00 0.00 H new ATOM 0 HD2 HIS A 76 15.628 2.059 11.909 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.271 3.640 13.964 1.00 0.00 H new ATOM 1154 N PRO A 77 11.872 -0.916 7.972 1.00 0.00 N ATOM 1155 CA PRO A 77 11.765 -1.470 6.619 1.00 0.00 C ATOM 1156 C PRO A 77 10.804 -0.674 5.742 1.00 0.00 C ATOM 1157 O PRO A 77 9.869 -0.046 6.239 1.00 0.00 O ATOM 1158 CB PRO A 77 11.226 -2.883 6.856 1.00 0.00 C ATOM 1159 CG PRO A 77 10.505 -2.800 8.157 1.00 0.00 C ATOM 1160 CD PRO A 77 11.253 -1.790 8.982 1.00 0.00 C ATOM 0 HA PRO A 77 12.719 -1.446 6.092 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.558 -3.192 6.052 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.034 -3.613 6.897 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.469 -2.494 8.010 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.483 -3.770 8.654 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.585 -1.234 9.639 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.002 -2.264 9.616 1.00 0.00 H new ATOM 1168 N PHE A 78 11.040 -0.705 4.434 1.00 0.00 N ATOM 1169 CA PHE A 78 10.196 0.014 3.487 1.00 0.00 C ATOM 1170 C PHE A 78 9.360 -0.957 2.658 1.00 0.00 C ATOM 1171 O PHE A 78 9.876 -1.943 2.130 1.00 0.00 O ATOM 1172 CB PHE A 78 11.053 0.884 2.566 1.00 0.00 C ATOM 1173 CG PHE A 78 12.195 1.559 3.269 1.00 0.00 C ATOM 1174 CD1 PHE A 78 13.313 0.836 3.654 1.00 0.00 C ATOM 1175 CD2 PHE A 78 12.151 2.915 3.547 1.00 0.00 C ATOM 1176 CE1 PHE A 78 14.366 1.454 4.301 1.00 0.00 C ATOM 1177 CE2 PHE A 78 13.201 3.539 4.194 1.00 0.00 C ATOM 1178 CZ PHE A 78 14.310 2.807 4.573 1.00 0.00 C ATOM 0 H PHE A 78 11.809 -1.221 4.006 1.00 0.00 H new ATOM 0 HA PHE A 78 9.520 0.655 4.054 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.448 0.266 1.760 1.00 0.00 H new ATOM 0 HB3 PHE A 78 10.421 1.643 2.105 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.362 -0.223 3.446 1.00 0.00 H new ATOM 0 HD2 PHE A 78 11.286 3.492 3.255 1.00 0.00 H new ATOM 0 HE1 PHE A 78 15.232 0.879 4.594 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.155 4.598 4.403 1.00 0.00 H new ATOM 0 HZ PHE A 78 15.131 3.292 5.081 1.00 0.00 H new ATOM 1188 N TYR A 79 8.068 -0.671 2.548 1.00 0.00 N ATOM 1189 CA TYR A 79 7.160 -1.519 1.785 1.00 0.00 C ATOM 1190 C TYR A 79 6.885 -0.924 0.408 1.00 0.00 C ATOM 1191 O TYR A 79 6.854 0.296 0.240 1.00 0.00 O ATOM 1192 CB TYR A 79 5.845 -1.706 2.544 1.00 0.00 C ATOM 1193 CG TYR A 79 6.027 -2.217 3.955 1.00 0.00 C ATOM 1194 CD1 TYR A 79 6.224 -1.339 5.013 1.00 0.00 C ATOM 1195 CD2 TYR A 79 6.001 -3.579 4.229 1.00 0.00 C ATOM 1196 CE1 TYR A 79 6.392 -1.803 6.304 1.00 0.00 C ATOM 1197 CE2 TYR A 79 6.166 -4.052 5.517 1.00 0.00 C ATOM 1198 CZ TYR A 79 6.362 -3.160 6.551 1.00 0.00 C ATOM 1199 OH TYR A 79 6.527 -3.625 7.835 1.00 0.00 O ATOM 0 H TYR A 79 7.626 0.142 2.977 1.00 0.00 H new ATOM 0 HA TYR A 79 7.637 -2.490 1.652 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.316 -0.754 2.577 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.213 -2.403 1.993 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.246 -0.276 4.824 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.849 -4.280 3.422 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.546 -1.107 7.115 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.142 -5.114 5.713 1.00 0.00 H new ATOM 0 HH TYR A 79 6.478 -4.604 7.837 1.00 0.00 H new ATOM 1209 N VAL A 80 6.686 -1.794 -0.577 1.00 0.00 N ATOM 1210 CA VAL A 80 6.412 -1.356 -1.941 1.00 0.00 C ATOM 1211 C VAL A 80 4.972 -1.663 -2.338 1.00 0.00 C ATOM 1212 O VAL A 80 4.411 -2.685 -1.939 1.00 0.00 O ATOM 1213 CB VAL A 80 7.365 -2.027 -2.948 1.00 0.00 C ATOM 1214 CG1 VAL A 80 7.195 -1.418 -4.331 1.00 0.00 C ATOM 1215 CG2 VAL A 80 8.806 -1.908 -2.477 1.00 0.00 C ATOM 0 H VAL A 80 6.709 -2.807 -0.456 1.00 0.00 H new ATOM 0 HA VAL A 80 6.570 -0.278 -1.965 1.00 0.00 H new ATOM 0 HB VAL A 80 7.114 -3.086 -3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.876 -1.904 -5.029 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.168 -1.560 -4.667 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.419 -0.352 -4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.466 -2.387 -3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.073 -0.855 -2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.914 -2.396 -1.508 1.00 0.00 H new ATOM 1225 N LEU A 81 4.379 -0.773 -3.126 1.00 0.00 N ATOM 1226 CA LEU A 81 3.003 -0.949 -3.578 1.00 0.00 C ATOM 1227 C LEU A 81 2.961 -1.347 -5.050 1.00 0.00 C ATOM 1228 O LEU A 81 3.842 -0.980 -5.828 1.00 0.00 O ATOM 1229 CB LEU A 81 2.207 0.339 -3.363 1.00 0.00 C ATOM 1230 CG LEU A 81 1.622 0.541 -1.965 1.00 0.00 C ATOM 1231 CD1 LEU A 81 0.586 1.654 -1.975 1.00 0.00 C ATOM 1232 CD2 LEU A 81 1.011 -0.754 -1.450 1.00 0.00 C ATOM 0 H LEU A 81 4.829 0.077 -3.465 1.00 0.00 H new ATOM 0 HA LEU A 81 2.552 -1.749 -2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.856 1.185 -3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.390 0.362 -4.084 1.00 0.00 H new ATOM 0 HG LEU A 81 2.430 0.831 -1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.181 1.783 -0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.054 2.583 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.220 1.394 -2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.600 -0.591 -0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.216 -1.074 -2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.779 -1.526 -1.404 1.00 0.00 H new ATOM 1244 N ARG A 82 1.931 -2.097 -5.425 1.00 0.00 N ATOM 1245 CA ARG A 82 1.773 -2.544 -6.804 1.00 0.00 C ATOM 1246 C ARG A 82 0.984 -1.524 -7.619 1.00 0.00 C ATOM 1247 O ARG A 82 -0.001 -0.960 -7.142 1.00 0.00 O ATOM 1248 CB ARG A 82 1.068 -3.901 -6.846 1.00 0.00 C ATOM 1249 CG ARG A 82 0.521 -4.262 -8.217 1.00 0.00 C ATOM 1250 CD ARG A 82 1.638 -4.618 -9.186 1.00 0.00 C ATOM 1251 NE ARG A 82 1.230 -4.448 -10.578 1.00 0.00 N ATOM 1252 CZ ARG A 82 2.084 -4.407 -11.594 1.00 0.00 C ATOM 1253 NH1 ARG A 82 3.386 -4.524 -11.375 1.00 0.00 N ATOM 1254 NH2 ARG A 82 1.636 -4.249 -12.833 1.00 0.00 N ATOM 0 H ARG A 82 1.193 -2.408 -4.794 1.00 0.00 H new ATOM 0 HA ARG A 82 2.766 -2.645 -7.242 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.768 -4.674 -6.528 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.249 -3.898 -6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.165 -5.104 -8.126 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.053 -3.424 -8.613 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.507 -3.991 -8.984 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.945 -5.651 -9.022 1.00 0.00 H new ATOM 0 HE ARG A 82 0.235 -4.356 -10.781 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.734 -4.646 -10.424 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.040 -4.492 -12.157 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.635 -4.159 -13.006 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.293 -4.218 -13.613 1.00 0.00 H new ATOM 1268 N PHE A 83 1.424 -1.291 -8.852 1.00 0.00 N ATOM 1269 CA PHE A 83 0.759 -0.337 -9.733 1.00 0.00 C ATOM 1270 C PHE A 83 1.222 -0.517 -11.176 1.00 0.00 C ATOM 1271 O PHE A 83 2.393 -0.793 -11.433 1.00 0.00 O ATOM 1272 CB PHE A 83 1.037 1.095 -9.271 1.00 0.00 C ATOM 1273 CG PHE A 83 0.281 1.482 -8.032 1.00 0.00 C ATOM 1274 CD1 PHE A 83 -1.103 1.547 -8.041 1.00 0.00 C ATOM 1275 CD2 PHE A 83 0.955 1.782 -6.859 1.00 0.00 C ATOM 1276 CE1 PHE A 83 -1.801 1.903 -6.902 1.00 0.00 C ATOM 1277 CE2 PHE A 83 0.262 2.138 -5.717 1.00 0.00 C ATOM 1278 CZ PHE A 83 -1.118 2.199 -5.739 1.00 0.00 C ATOM 0 H PHE A 83 2.237 -1.749 -9.263 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.314 -0.524 -9.688 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.105 1.208 -9.085 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.779 1.784 -10.075 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.643 1.317 -8.948 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.034 1.737 -6.837 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.880 1.950 -6.922 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.799 2.368 -4.809 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.662 2.478 -4.848 1.00 0.00 H new ATOM 1288 N ASN A 84 0.293 -0.359 -12.113 1.00 0.00 N ATOM 1289 CA ASN A 84 0.604 -0.505 -13.530 1.00 0.00 C ATOM 1290 C ASN A 84 1.607 0.554 -13.978 1.00 0.00 C ATOM 1291 O ASN A 84 2.629 0.236 -14.588 1.00 0.00 O ATOM 1292 CB ASN A 84 -0.673 -0.400 -14.367 1.00 0.00 C ATOM 1293 CG ASN A 84 -1.361 -1.740 -14.542 1.00 0.00 C ATOM 1294 OD1 ASN A 84 -0.790 -2.674 -15.105 1.00 0.00 O ATOM 1295 ND2 ASN A 84 -2.594 -1.840 -14.060 1.00 0.00 N ATOM 0 H ASN A 84 -0.681 -0.130 -11.917 1.00 0.00 H new ATOM 0 HA ASN A 84 1.049 -1.489 -13.680 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -1.360 0.299 -13.890 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -0.429 0.011 -15.347 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.107 -2.717 -14.149 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -3.028 -1.040 -13.601 1.00 0.00 H new ATOM 1302 N SER A 85 1.309 1.812 -13.671 1.00 0.00 N ATOM 1303 CA SER A 85 2.183 2.918 -14.045 1.00 0.00 C ATOM 1304 C SER A 85 1.893 4.151 -13.195 1.00 0.00 C ATOM 1305 O SER A 85 0.968 4.155 -12.382 1.00 0.00 O ATOM 1306 CB SER A 85 2.010 3.254 -15.527 1.00 0.00 C ATOM 1307 OG SER A 85 2.826 2.425 -16.337 1.00 0.00 O ATOM 0 H SER A 85 0.469 2.091 -13.164 1.00 0.00 H new ATOM 0 HA SER A 85 3.213 2.610 -13.868 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.965 3.130 -15.811 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.265 4.300 -15.698 1.00 0.00 H new ATOM 0 HG SER A 85 2.985 1.574 -15.878 1.00 0.00 H new ATOM 1313 N SER A 86 2.689 5.197 -13.390 1.00 0.00 N ATOM 1314 CA SER A 86 2.521 6.436 -12.639 1.00 0.00 C ATOM 1315 C SER A 86 1.046 6.804 -12.522 1.00 0.00 C ATOM 1316 O SER A 86 0.558 7.121 -11.437 1.00 0.00 O ATOM 1317 CB SER A 86 3.291 7.574 -13.313 1.00 0.00 C ATOM 1318 OG SER A 86 2.995 7.640 -14.697 1.00 0.00 O ATOM 0 H SER A 86 3.457 5.212 -14.061 1.00 0.00 H new ATOM 0 HA SER A 86 2.919 6.281 -11.636 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.036 8.521 -12.838 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.362 7.425 -13.174 1.00 0.00 H new ATOM 0 HG SER A 86 3.498 8.376 -15.104 1.00 0.00 H new ATOM 1324 N ASP A 87 0.340 6.760 -13.647 1.00 0.00 N ATOM 1325 CA ASP A 87 -1.080 7.088 -13.672 1.00 0.00 C ATOM 1326 C ASP A 87 -1.816 6.406 -12.523 1.00 0.00 C ATOM 1327 O ASP A 87 -2.403 7.069 -11.667 1.00 0.00 O ATOM 1328 CB ASP A 87 -1.698 6.671 -15.008 1.00 0.00 C ATOM 1329 CG ASP A 87 -1.124 5.368 -15.530 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -1.581 4.297 -15.080 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -0.218 5.420 -16.388 1.00 0.00 O ATOM 0 H ASP A 87 0.729 6.500 -14.554 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.180 8.167 -13.555 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.777 6.568 -14.890 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.532 7.458 -15.743 1.00 0.00 H new ATOM 1336 N HIS A 88 -1.781 5.077 -12.510 1.00 0.00 N ATOM 1337 CA HIS A 88 -2.445 4.305 -11.466 1.00 0.00 C ATOM 1338 C HIS A 88 -2.226 4.942 -10.097 1.00 0.00 C ATOM 1339 O HIS A 88 -3.120 4.937 -9.250 1.00 0.00 O ATOM 1340 CB HIS A 88 -1.928 2.866 -11.460 1.00 0.00 C ATOM 1341 CG HIS A 88 -2.933 1.871 -10.965 1.00 0.00 C ATOM 1342 ND1 HIS A 88 -3.024 0.585 -11.456 1.00 0.00 N ATOM 1343 CD2 HIS A 88 -3.892 1.978 -10.016 1.00 0.00 C ATOM 1344 CE1 HIS A 88 -3.997 -0.054 -10.832 1.00 0.00 C ATOM 1345 NE2 HIS A 88 -4.539 0.769 -9.952 1.00 0.00 N ATOM 0 H HIS A 88 -1.300 4.513 -13.210 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.514 4.298 -11.677 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.626 2.593 -12.471 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -1.037 2.811 -10.835 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -4.108 2.852 -9.420 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.298 -1.076 -11.011 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.312 0.543 -9.327 1.00 0.00 H new ATOM 1353 N ILE A 89 -1.033 5.488 -9.888 1.00 0.00 N ATOM 1354 CA ILE A 89 -0.698 6.129 -8.622 1.00 0.00 C ATOM 1355 C ILE A 89 -1.352 7.502 -8.511 1.00 0.00 C ATOM 1356 O ILE A 89 -2.139 7.753 -7.598 1.00 0.00 O ATOM 1357 CB ILE A 89 0.825 6.283 -8.455 1.00 0.00 C ATOM 1358 CG1 ILE A 89 1.486 4.911 -8.310 1.00 0.00 C ATOM 1359 CG2 ILE A 89 1.140 7.158 -7.251 1.00 0.00 C ATOM 1360 CD1 ILE A 89 1.675 4.189 -9.626 1.00 0.00 C ATOM 0 H ILE A 89 -0.282 5.499 -10.579 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.079 5.483 -7.831 1.00 0.00 H new ATOM 0 HB ILE A 89 1.226 6.766 -9.346 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.457 5.033 -7.829 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.879 4.292 -7.649 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.220 7.257 -7.146 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.697 8.144 -7.392 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.729 6.701 -6.351 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.149 3.224 -9.447 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.705 4.035 -10.099 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.307 4.787 -10.282 1.00 0.00 H new ATOM 1372 N GLU A 90 -1.023 8.386 -9.447 1.00 0.00 N ATOM 1373 CA GLU A 90 -1.579 9.733 -9.454 1.00 0.00 C ATOM 1374 C GLU A 90 -3.061 9.712 -9.089 1.00 0.00 C ATOM 1375 O GLU A 90 -3.516 10.490 -8.251 1.00 0.00 O ATOM 1376 CB GLU A 90 -1.391 10.380 -10.828 1.00 0.00 C ATOM 1377 CG GLU A 90 0.013 10.909 -11.064 1.00 0.00 C ATOM 1378 CD GLU A 90 0.138 11.673 -12.369 1.00 0.00 C ATOM 1379 OE1 GLU A 90 0.315 11.024 -13.421 1.00 0.00 O ATOM 1380 OE2 GLU A 90 0.058 12.918 -12.337 1.00 0.00 O ATOM 0 H GLU A 90 -0.374 8.193 -10.210 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.046 10.322 -8.707 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.629 9.649 -11.600 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.102 11.199 -10.935 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.295 11.561 -10.237 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.715 10.076 -11.067 1.00 0.00 H new ATOM 1387 N SER A 91 -3.808 8.816 -9.726 1.00 0.00 N ATOM 1388 CA SER A 91 -5.239 8.695 -9.472 1.00 0.00 C ATOM 1389 C SER A 91 -5.507 8.407 -7.998 1.00 0.00 C ATOM 1390 O SER A 91 -6.204 9.163 -7.321 1.00 0.00 O ATOM 1391 CB SER A 91 -5.840 7.586 -10.337 1.00 0.00 C ATOM 1392 OG SER A 91 -7.256 7.653 -10.342 1.00 0.00 O ATOM 0 H SER A 91 -3.446 8.163 -10.421 1.00 0.00 H new ATOM 0 HA SER A 91 -5.710 9.643 -9.730 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.465 7.673 -11.357 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.520 6.614 -9.961 1.00 0.00 H new ATOM 0 HG SER A 91 -7.616 6.935 -10.903 1.00 0.00 H new ATOM 1398 N LYS A 92 -4.948 7.306 -7.506 1.00 0.00 N ATOM 1399 CA LYS A 92 -5.123 6.916 -6.112 1.00 0.00 C ATOM 1400 C LYS A 92 -4.869 8.096 -5.180 1.00 0.00 C ATOM 1401 O LYS A 92 -5.407 8.155 -4.075 1.00 0.00 O ATOM 1402 CB LYS A 92 -4.180 5.763 -5.761 1.00 0.00 C ATOM 1403 CG LYS A 92 -4.367 4.536 -6.636 1.00 0.00 C ATOM 1404 CD LYS A 92 -5.448 3.619 -6.088 1.00 0.00 C ATOM 1405 CE LYS A 92 -5.237 2.180 -6.534 1.00 0.00 C ATOM 1406 NZ LYS A 92 -6.519 1.423 -6.589 1.00 0.00 N ATOM 0 H LYS A 92 -4.370 6.668 -8.053 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.154 6.587 -5.980 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.150 6.108 -5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.335 5.483 -4.719 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.630 4.846 -7.647 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.426 3.990 -6.705 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.450 3.667 -4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.425 3.966 -6.424 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.767 2.170 -7.517 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.551 1.684 -5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.333 0.447 -6.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.956 1.411 -5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.164 1.882 -7.263 1.00 0.00 H new ATOM 1420 N GLY A 93 -4.046 9.037 -5.634 1.00 0.00 N ATOM 1421 CA GLY A 93 -3.736 10.204 -4.829 1.00 0.00 C ATOM 1422 C GLY A 93 -2.491 10.013 -3.986 1.00 0.00 C ATOM 1423 O GLY A 93 -2.132 10.882 -3.191 1.00 0.00 O ATOM 0 H GLY A 93 -3.588 9.012 -6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.600 11.066 -5.482 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.581 10.427 -4.178 1.00 0.00 H new ATOM 1427 N ILE A 94 -1.832 8.872 -4.158 1.00 0.00 N ATOM 1428 CA ILE A 94 -0.620 8.570 -3.406 1.00 0.00 C ATOM 1429 C ILE A 94 0.561 9.389 -3.914 1.00 0.00 C ATOM 1430 O ILE A 94 0.792 9.486 -5.120 1.00 0.00 O ATOM 1431 CB ILE A 94 -0.265 7.073 -3.488 1.00 0.00 C ATOM 1432 CG1 ILE A 94 -1.504 6.217 -3.216 1.00 0.00 C ATOM 1433 CG2 ILE A 94 0.844 6.737 -2.502 1.00 0.00 C ATOM 1434 CD1 ILE A 94 -1.456 4.858 -3.877 1.00 0.00 C ATOM 0 H ILE A 94 -2.117 8.142 -4.811 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.820 8.832 -2.367 1.00 0.00 H new ATOM 0 HB ILE A 94 0.091 6.854 -4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.615 6.085 -2.140 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.388 6.751 -3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.084 5.676 -2.572 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.731 7.326 -2.737 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.513 6.968 -1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.366 4.306 -3.641 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.376 4.981 -4.957 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.591 4.305 -3.510 1.00 0.00 H new ATOM 1446 N LYS A 95 1.308 9.978 -2.986 1.00 0.00 N ATOM 1447 CA LYS A 95 2.469 10.787 -3.338 1.00 0.00 C ATOM 1448 C LYS A 95 3.392 10.966 -2.137 1.00 0.00 C ATOM 1449 O LYS A 95 3.054 10.576 -1.019 1.00 0.00 O ATOM 1450 CB LYS A 95 2.023 12.155 -3.860 1.00 0.00 C ATOM 1451 CG LYS A 95 0.939 12.804 -3.017 1.00 0.00 C ATOM 1452 CD LYS A 95 1.474 13.245 -1.664 1.00 0.00 C ATOM 1453 CE LYS A 95 0.417 13.985 -0.861 1.00 0.00 C ATOM 1454 NZ LYS A 95 -0.568 13.052 -0.247 1.00 0.00 N ATOM 0 H LYS A 95 1.130 9.910 -1.984 1.00 0.00 H new ATOM 0 HA LYS A 95 3.019 10.267 -4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 95 2.887 12.819 -3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.659 12.044 -4.882 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.532 13.665 -3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.119 12.101 -2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.814 12.373 -1.104 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.341 13.890 -1.807 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.899 14.570 -0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.105 14.689 -1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.448 13.565 -0.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.770 12.275 -0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.175 12.663 0.634 1.00 0.00 H new ATOM 1468 N ILE A 96 4.557 11.558 -2.375 1.00 0.00 N ATOM 1469 CA ILE A 96 5.527 11.791 -1.312 1.00 0.00 C ATOM 1470 C ILE A 96 4.888 12.520 -0.135 1.00 0.00 C ATOM 1471 O ILE A 96 4.037 13.391 -0.317 1.00 0.00 O ATOM 1472 CB ILE A 96 6.730 12.609 -1.817 1.00 0.00 C ATOM 1473 CG1 ILE A 96 7.400 11.899 -2.995 1.00 0.00 C ATOM 1474 CG2 ILE A 96 7.728 12.833 -0.690 1.00 0.00 C ATOM 1475 CD1 ILE A 96 8.228 10.700 -2.587 1.00 0.00 C ATOM 0 H ILE A 96 4.852 11.885 -3.295 1.00 0.00 H new ATOM 0 HA ILE A 96 5.876 10.812 -0.983 1.00 0.00 H new ATOM 0 HB ILE A 96 6.372 13.580 -2.159 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.632 11.578 -3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.038 12.609 -3.521 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.573 13.413 -1.062 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.244 13.377 0.122 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.083 11.870 -0.321 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.673 10.247 -3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 96 9.018 11.018 -1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.591 9.971 -2.087 1.00 0.00 H new ATOM 1487 N LYS A 97 5.306 12.160 1.074 1.00 0.00 N ATOM 1488 CA LYS A 97 4.778 12.781 2.283 1.00 0.00 C ATOM 1489 C LYS A 97 3.316 12.401 2.496 1.00 0.00 C ATOM 1490 O LYS A 97 2.498 13.237 2.878 1.00 0.00 O ATOM 1491 CB LYS A 97 4.913 14.304 2.199 1.00 0.00 C ATOM 1492 CG LYS A 97 6.312 14.771 1.836 1.00 0.00 C ATOM 1493 CD LYS A 97 7.199 14.881 3.065 1.00 0.00 C ATOM 1494 CE LYS A 97 8.673 14.864 2.691 1.00 0.00 C ATOM 1495 NZ LYS A 97 9.551 14.959 3.890 1.00 0.00 N ATOM 0 H LYS A 97 6.009 11.441 1.243 1.00 0.00 H new ATOM 0 HA LYS A 97 5.357 12.417 3.132 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.209 14.683 1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.631 14.739 3.158 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.757 14.073 1.126 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.256 15.739 1.339 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.969 15.802 3.600 1.00 0.00 H new ATOM 0 HD3 LYS A 97 6.985 14.056 3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.899 13.947 2.147 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.886 15.694 2.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.547 14.944 3.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.354 15.846 4.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.366 14.153 4.521 1.00 0.00 H new ATOM 1509 N GLU A 98 2.996 11.135 2.248 1.00 0.00 N ATOM 1510 CA GLU A 98 1.633 10.645 2.414 1.00 0.00 C ATOM 1511 C GLU A 98 1.588 9.486 3.406 1.00 0.00 C ATOM 1512 O GLU A 98 2.071 8.390 3.120 1.00 0.00 O ATOM 1513 CB GLU A 98 1.059 10.201 1.067 1.00 0.00 C ATOM 1514 CG GLU A 98 -0.449 10.017 1.079 1.00 0.00 C ATOM 1515 CD GLU A 98 -0.863 8.616 1.482 1.00 0.00 C ATOM 1516 OE1 GLU A 98 -0.701 8.267 2.670 1.00 0.00 O ATOM 1517 OE2 GLU A 98 -1.350 7.867 0.608 1.00 0.00 O ATOM 0 H GLU A 98 3.662 10.430 1.931 1.00 0.00 H new ATOM 0 HA GLU A 98 1.027 11.461 2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.320 10.939 0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.529 9.262 0.773 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.893 10.735 1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.846 10.238 0.088 1.00 0.00 H new ATOM 1524 N THR A 99 1.005 9.736 4.574 1.00 0.00 N ATOM 1525 CA THR A 99 0.898 8.715 5.608 1.00 0.00 C ATOM 1526 C THR A 99 -0.167 7.683 5.255 1.00 0.00 C ATOM 1527 O THR A 99 -1.326 8.027 5.025 1.00 0.00 O ATOM 1528 CB THR A 99 0.560 9.336 6.977 1.00 0.00 C ATOM 1529 OG1 THR A 99 1.406 10.465 7.225 1.00 0.00 O ATOM 1530 CG2 THR A 99 0.731 8.315 8.092 1.00 0.00 C ATOM 0 H THR A 99 0.600 10.637 4.827 1.00 0.00 H new ATOM 0 HA THR A 99 1.869 8.224 5.669 1.00 0.00 H new ATOM 0 HB THR A 99 -0.481 9.659 6.957 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.184 10.855 8.096 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.487 8.777 9.049 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.066 7.470 7.917 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.763 7.966 8.111 1.00 0.00 H new ATOM 1538 N MET A 100 0.233 6.417 5.215 1.00 0.00 N ATOM 1539 CA MET A 100 -0.689 5.334 4.891 1.00 0.00 C ATOM 1540 C MET A 100 -1.022 4.514 6.133 1.00 0.00 C ATOM 1541 O MET A 100 -0.408 4.687 7.186 1.00 0.00 O ATOM 1542 CB MET A 100 -0.088 4.429 3.814 1.00 0.00 C ATOM 1543 CG MET A 100 0.371 5.181 2.575 1.00 0.00 C ATOM 1544 SD MET A 100 0.333 4.160 1.089 1.00 0.00 S ATOM 1545 CE MET A 100 -1.174 4.742 0.316 1.00 0.00 C ATOM 0 H MET A 100 1.189 6.115 5.403 1.00 0.00 H new ATOM 0 HA MET A 100 -1.610 5.776 4.511 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.760 3.889 4.236 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.828 3.683 3.523 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.265 6.054 2.428 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.385 5.549 2.733 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.460 4.059 -0.484 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.971 4.785 1.059 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.010 5.737 -0.098 1.00 0.00 H new ATOM 1555 N TYR A 101 -1.997 3.621 6.003 1.00 0.00 N ATOM 1556 CA TYR A 101 -2.413 2.776 7.116 1.00 0.00 C ATOM 1557 C TYR A 101 -2.836 1.395 6.623 1.00 0.00 C ATOM 1558 O TYR A 101 -2.949 1.160 5.420 1.00 0.00 O ATOM 1559 CB TYR A 101 -3.564 3.432 7.879 1.00 0.00 C ATOM 1560 CG TYR A 101 -3.345 4.902 8.160 1.00 0.00 C ATOM 1561 CD1 TYR A 101 -3.420 5.843 7.140 1.00 0.00 C ATOM 1562 CD2 TYR A 101 -3.062 5.349 9.444 1.00 0.00 C ATOM 1563 CE1 TYR A 101 -3.220 7.186 7.391 1.00 0.00 C ATOM 1564 CE2 TYR A 101 -2.862 6.691 9.705 1.00 0.00 C ATOM 1565 CZ TYR A 101 -2.942 7.605 8.676 1.00 0.00 C ATOM 1566 OH TYR A 101 -2.742 8.943 8.931 1.00 0.00 O ATOM 0 H TYR A 101 -2.514 3.464 5.138 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.562 2.657 7.787 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.483 3.313 7.305 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.708 2.908 8.824 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.639 5.518 6.133 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -2.997 4.636 10.252 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -3.281 7.904 6.587 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.644 7.022 10.710 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.558 9.070 9.885 1.00 0.00 H new ATOM 1576 N PHE A 102 -3.068 0.485 7.563 1.00 0.00 N ATOM 1577 CA PHE A 102 -3.478 -0.873 7.227 1.00 0.00 C ATOM 1578 C PHE A 102 -4.610 -1.341 8.137 1.00 0.00 C ATOM 1579 O PHE A 102 -4.924 -0.695 9.137 1.00 0.00 O ATOM 1580 CB PHE A 102 -2.290 -1.830 7.339 1.00 0.00 C ATOM 1581 CG PHE A 102 -1.523 -1.686 8.622 1.00 0.00 C ATOM 1582 CD1 PHE A 102 -2.154 -1.852 9.844 1.00 0.00 C ATOM 1583 CD2 PHE A 102 -0.171 -1.384 8.606 1.00 0.00 C ATOM 1584 CE1 PHE A 102 -1.451 -1.719 11.026 1.00 0.00 C ATOM 1585 CE2 PHE A 102 0.538 -1.250 9.785 1.00 0.00 C ATOM 1586 CZ PHE A 102 -0.103 -1.418 10.997 1.00 0.00 C ATOM 0 H PHE A 102 -2.979 0.663 8.563 1.00 0.00 H new ATOM 0 HA PHE A 102 -3.839 -0.872 6.199 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.650 -2.855 7.254 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.615 -1.658 6.500 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.207 -2.088 9.873 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.335 -1.252 7.661 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -1.955 -1.850 11.972 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.592 -1.014 9.759 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.448 -1.314 11.920 1.00 0.00 H new ATOM 1596 N ALA A 103 -5.219 -2.468 7.783 1.00 0.00 N ATOM 1597 CA ALA A 103 -6.315 -3.023 8.568 1.00 0.00 C ATOM 1598 C ALA A 103 -6.275 -4.548 8.564 1.00 0.00 C ATOM 1599 O ALA A 103 -6.002 -5.169 7.536 1.00 0.00 O ATOM 1600 CB ALA A 103 -7.651 -2.528 8.034 1.00 0.00 C ATOM 0 H ALA A 103 -4.972 -3.014 6.958 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.200 -2.684 9.598 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.460 -2.951 8.630 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.686 -1.440 8.094 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.765 -2.838 6.995 1.00 0.00 H new