USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 948 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 122 MET CE :methyl 168:sc= 0 (180deg=0) USER MOD Set 1.2: A 126 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 113 THR OG1 : rot -57:sc= 0.905 USER MOD Set 2.2: A 114 HIS : no HD1:sc= 0 X(o=0.9,f=0.9) USER MOD Set 3.1: A 93 THR OG1 : rot -110:sc= 0 USER MOD Set 3.2: A 95 MET CE :methyl 146:sc= -0.0107 (180deg=-0.0694) USER MOD Set 4.1: A 74 TYR OH : rot -99:sc= -0.681 USER MOD Set 4.2: A 108 TYR OH : rot -4:sc= 0.585 USER MOD Single : A 16 ASN :FLIP amide:sc= -1.43 F(o=-3.6!,f=-1.4) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -1.51 K(o=-1.5,f=-3) USER MOD Single : A 26 THR OG1 : rot -145:sc= 0.841 USER MOD Single : A 27 SER OG : rot 160:sc= -0.345 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.295 F(o=-1,f=-0.29) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0.833 USER MOD Single : A 48 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.25) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 64:sc= 1.3 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -44:sc= 0.0215 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HE2:sc= -0.904 K(o=-0.9,f=-5.1!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 43:sc= 0.0919 USER MOD Single : A 72 ASN : amide:sc=-0.00571 K(o=-0.0057,f=-1.5) USER MOD Single : A 75 MET CE :methyl 154:sc= -0.0553 (180deg=-1.39!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 113:sc= 0.642 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -173:sc= 1.84 (180deg=1.74) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0709 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc=-0.000282 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 ASN : amide:sc= 0.393 X(o=0.39,f=0) USER MOD Single : A 118 THR OG1 : rot 8:sc= 1.02 USER MOD Single : A 121 GLN : amide:sc= 1.28 K(o=1.3,f=0) USER MOD Single : A 127 GLN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 128 MET CE :methyl 173:sc= -0.0085 (180deg=-0.148) USER MOD Single : A 129 GLN :FLIP amide:sc= -0.0299 F(o=-1.2,f=-0.03) USER MOD Single : A 134 ASN : amide:sc= -0.424 X(o=-0.42,f=-0.42) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot 170:sc= 0.42 USER MOD ----------------------------------------------------------------- ATOM 201 N PHE A 15 13.037 4.338 -1.089 1.00 0.00 N ATOM 202 CA PHE A 15 12.209 3.986 0.051 1.00 0.00 C ATOM 203 C PHE A 15 12.452 4.903 1.261 1.00 0.00 C ATOM 204 O PHE A 15 12.382 4.442 2.402 1.00 0.00 O ATOM 205 CB PHE A 15 12.330 2.491 0.379 1.00 0.00 C ATOM 206 CG PHE A 15 11.972 1.581 -0.772 1.00 0.00 C ATOM 207 CD1 PHE A 15 10.642 1.543 -1.225 1.00 0.00 C ATOM 208 CD2 PHE A 15 12.952 0.779 -1.386 1.00 0.00 C ATOM 209 CE1 PHE A 15 10.288 0.663 -2.266 1.00 0.00 C ATOM 210 CE2 PHE A 15 12.600 -0.078 -2.441 1.00 0.00 C ATOM 211 CZ PHE A 15 11.265 -0.143 -2.872 1.00 0.00 C ATOM 0 HA PHE A 15 11.169 4.160 -0.227 1.00 0.00 H new ATOM 0 HB2 PHE A 15 13.352 2.279 0.692 1.00 0.00 H new ATOM 0 HB3 PHE A 15 11.683 2.261 1.226 1.00 0.00 H new ATOM 0 HD1 PHE A 15 9.897 2.184 -0.778 1.00 0.00 H new ATOM 0 HD2 PHE A 15 13.976 0.823 -1.045 1.00 0.00 H new ATOM 0 HE1 PHE A 15 9.262 0.608 -2.599 1.00 0.00 H new ATOM 0 HE2 PHE A 15 13.354 -0.686 -2.920 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.989 -0.815 -3.672 1.00 0.00 H new ATOM 221 N ASN A 16 12.762 6.184 1.032 1.00 0.00 N ATOM 222 CA ASN A 16 13.151 7.091 2.113 1.00 0.00 C ATOM 223 C ASN A 16 11.932 7.717 2.808 1.00 0.00 C ATOM 224 O ASN A 16 10.996 8.136 2.122 1.00 0.00 O ATOM 225 CB ASN A 16 14.076 8.202 1.578 1.00 0.00 C ATOM 226 CG ASN A 16 15.167 8.501 2.595 1.00 0.00 C ATOM 227 OD1 ASN A 16 15.255 9.717 3.102 1.00 0.00 O flip ATOM 228 ND2 ASN A 16 15.932 7.616 2.972 1.00 0.00 N flip ATOM 0 H ASN A 16 12.750 6.614 0.107 1.00 0.00 H new ATOM 0 HA ASN A 16 13.687 6.497 2.853 1.00 0.00 H new ATOM 0 HB2 ASN A 16 14.522 7.892 0.633 1.00 0.00 H new ATOM 0 HB3 ASN A 16 13.497 9.104 1.377 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.861 6.678 2.578 1.00 0.00 H new ATOM 0 HD22 ASN A 16 16.638 7.820 3.679 1.00 0.00 H new ATOM 235 N PRO A 17 11.974 7.945 4.135 1.00 0.00 N ATOM 236 CA PRO A 17 10.869 8.572 4.868 1.00 0.00 C ATOM 237 C PRO A 17 10.716 10.057 4.518 1.00 0.00 C ATOM 238 O PRO A 17 9.627 10.628 4.631 1.00 0.00 O ATOM 239 CB PRO A 17 11.197 8.368 6.352 1.00 0.00 C ATOM 240 CG PRO A 17 12.714 8.195 6.382 1.00 0.00 C ATOM 241 CD PRO A 17 13.016 7.513 5.056 1.00 0.00 C ATOM 0 HA PRO A 17 9.912 8.122 4.604 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.882 9.223 6.950 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.689 7.492 6.755 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.226 9.153 6.467 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.033 7.587 7.229 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.003 7.795 4.688 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.014 6.429 5.166 1.00 0.00 H new ATOM 249 N ALA A 18 11.799 10.676 4.038 1.00 0.00 N ATOM 250 CA ALA A 18 11.892 12.077 3.645 1.00 0.00 C ATOM 251 C ALA A 18 10.997 12.462 2.463 1.00 0.00 C ATOM 252 O ALA A 18 10.986 13.627 2.079 1.00 0.00 O ATOM 253 CB ALA A 18 13.343 12.380 3.282 1.00 0.00 C ATOM 0 H ALA A 18 12.681 10.181 3.908 1.00 0.00 H new ATOM 0 HA ALA A 18 11.544 12.664 4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.433 13.425 2.985 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.981 12.192 4.146 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.653 11.740 2.456 1.00 0.00 H new ATOM 259 N ALA A 19 10.258 11.518 1.883 1.00 0.00 N ATOM 260 CA ALA A 19 9.388 11.714 0.733 1.00 0.00 C ATOM 261 C ALA A 19 7.911 11.492 1.085 1.00 0.00 C ATOM 262 O ALA A 19 7.044 11.585 0.213 1.00 0.00 O ATOM 263 CB ALA A 19 9.924 10.811 -0.381 1.00 0.00 C ATOM 0 H ALA A 19 10.252 10.555 2.219 1.00 0.00 H new ATOM 0 HA ALA A 19 9.405 12.747 0.386 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.303 10.922 -1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.950 11.095 -0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.902 9.773 -0.050 1.00 0.00 H new ATOM 269 N THR A 20 7.594 11.240 2.361 1.00 0.00 N ATOM 270 CA THR A 20 6.233 10.918 2.764 1.00 0.00 C ATOM 271 C THR A 20 5.333 12.187 2.763 1.00 0.00 C ATOM 272 O THR A 20 4.115 12.085 2.897 1.00 0.00 O ATOM 273 CB THR A 20 6.272 10.188 4.118 1.00 0.00 C ATOM 274 OG1 THR A 20 5.153 9.351 4.268 1.00 0.00 O ATOM 275 CG2 THR A 20 6.213 11.189 5.261 1.00 0.00 C ATOM 0 H THR A 20 8.267 11.255 3.127 1.00 0.00 H new ATOM 0 HA THR A 20 5.775 10.243 2.041 1.00 0.00 H new ATOM 0 HB THR A 20 7.196 9.611 4.141 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.199 8.896 5.135 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.241 10.657 6.212 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.066 11.865 5.197 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.289 11.764 5.194 1.00 0.00 H new ATOM 283 N GLN A 21 5.876 13.410 2.661 1.00 0.00 N ATOM 284 CA GLN A 21 5.044 14.611 2.637 1.00 0.00 C ATOM 285 C GLN A 21 4.193 14.716 1.361 1.00 0.00 C ATOM 286 O GLN A 21 3.335 15.589 1.273 1.00 0.00 O ATOM 287 CB GLN A 21 5.879 15.868 2.919 1.00 0.00 C ATOM 288 CG GLN A 21 6.903 16.263 1.852 1.00 0.00 C ATOM 289 CD GLN A 21 8.124 15.350 1.750 1.00 0.00 C ATOM 290 OE1 GLN A 21 8.654 15.090 0.678 1.00 0.00 O ATOM 291 NE2 GLN A 21 8.649 14.849 2.851 1.00 0.00 N ATOM 0 H GLN A 21 6.878 13.587 2.595 1.00 0.00 H new ATOM 0 HA GLN A 21 4.322 14.527 3.449 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.196 16.705 3.063 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.407 15.722 3.861 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.404 16.285 0.883 1.00 0.00 H new ATOM 0 HG3 GLN A 21 7.244 17.278 2.057 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.225 15.052 3.756 1.00 0.00 H new ATOM 0 HE22 GLN A 21 9.479 14.259 2.797 1.00 0.00 H new ATOM 300 N LEU A 22 4.420 13.842 0.379 1.00 0.00 N ATOM 301 CA LEU A 22 3.890 13.969 -0.975 1.00 0.00 C ATOM 302 C LEU A 22 2.743 12.985 -1.249 1.00 0.00 C ATOM 303 O LEU A 22 2.505 12.617 -2.407 1.00 0.00 O ATOM 304 CB LEU A 22 5.059 13.795 -1.954 1.00 0.00 C ATOM 305 CG LEU A 22 6.243 14.745 -1.710 1.00 0.00 C ATOM 306 CD1 LEU A 22 7.407 14.368 -2.612 1.00 0.00 C ATOM 307 CD2 LEU A 22 5.859 16.206 -1.928 1.00 0.00 C ATOM 0 H LEU A 22 4.991 13.007 0.509 1.00 0.00 H new ATOM 0 HA LEU A 22 3.446 14.956 -1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.416 12.767 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.692 13.946 -2.969 1.00 0.00 H new ATOM 0 HG LEU A 22 6.541 14.639 -0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.241 15.046 -2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.718 13.346 -2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.098 14.441 -3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.726 16.841 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.519 16.344 -2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.058 16.478 -1.241 1.00 0.00 H new ATOM 319 N LEU A 23 2.097 12.485 -0.189 1.00 0.00 N ATOM 320 CA LEU A 23 1.050 11.477 -0.217 1.00 0.00 C ATOM 321 C LEU A 23 -0.279 12.125 0.156 1.00 0.00 C ATOM 322 O LEU A 23 -0.867 11.821 1.192 1.00 0.00 O ATOM 323 CB LEU A 23 1.413 10.324 0.735 1.00 0.00 C ATOM 324 CG LEU A 23 2.580 9.438 0.300 1.00 0.00 C ATOM 325 CD1 LEU A 23 2.476 8.974 -1.152 1.00 0.00 C ATOM 326 CD2 LEU A 23 3.929 10.024 0.631 1.00 0.00 C ATOM 0 H LEU A 23 2.308 12.795 0.760 1.00 0.00 H new ATOM 0 HA LEU A 23 0.954 11.058 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.648 10.746 1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.533 9.694 0.863 1.00 0.00 H new ATOM 0 HG LEU A 23 2.494 8.536 0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.335 8.349 -1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.560 8.399 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.459 9.842 -1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.713 9.345 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.042 10.985 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.009 10.166 1.709 1.00 0.00 H new ATOM 338 N ASP A 24 -0.729 13.076 -0.652 1.00 0.00 N ATOM 339 CA ASP A 24 -1.774 14.025 -0.282 1.00 0.00 C ATOM 340 C ASP A 24 -2.776 14.241 -1.406 1.00 0.00 C ATOM 341 O ASP A 24 -3.979 14.282 -1.148 1.00 0.00 O ATOM 342 CB ASP A 24 -1.151 15.354 0.182 1.00 0.00 C ATOM 343 CG ASP A 24 -0.165 16.011 -0.792 1.00 0.00 C ATOM 344 OD1 ASP A 24 0.130 15.449 -1.872 1.00 0.00 O ATOM 345 OD2 ASP A 24 0.365 17.092 -0.448 1.00 0.00 O ATOM 0 H ASP A 24 -0.373 13.213 -1.598 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.331 13.597 0.551 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.957 16.060 0.383 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.636 15.181 1.127 1.00 0.00 H new ATOM 350 N ASP A 25 -2.303 14.337 -2.642 1.00 0.00 N ATOM 351 CA ASP A 25 -3.130 14.589 -3.823 1.00 0.00 C ATOM 352 C ASP A 25 -2.714 13.679 -4.987 1.00 0.00 C ATOM 353 O ASP A 25 -2.998 13.934 -6.155 1.00 0.00 O ATOM 354 CB ASP A 25 -3.069 16.085 -4.155 1.00 0.00 C ATOM 355 CG ASP A 25 -4.343 16.584 -4.834 1.00 0.00 C ATOM 356 OD1 ASP A 25 -5.458 16.192 -4.413 1.00 0.00 O ATOM 357 OD2 ASP A 25 -4.218 17.490 -5.689 1.00 0.00 O ATOM 0 H ASP A 25 -1.311 14.240 -2.860 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.172 14.339 -3.623 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.904 16.651 -3.238 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.215 16.275 -4.806 1.00 0.00 H new ATOM 362 N THR A 26 -1.969 12.626 -4.653 1.00 0.00 N ATOM 363 CA THR A 26 -1.431 11.572 -5.503 1.00 0.00 C ATOM 364 C THR A 26 -2.347 10.332 -5.412 1.00 0.00 C ATOM 365 O THR A 26 -3.282 10.277 -4.611 1.00 0.00 O ATOM 366 CB THR A 26 0.029 11.301 -5.061 1.00 0.00 C ATOM 367 OG1 THR A 26 0.217 11.582 -3.676 1.00 0.00 O ATOM 368 CG2 THR A 26 1.044 12.160 -5.809 1.00 0.00 C ATOM 0 H THR A 26 -1.702 12.478 -3.680 1.00 0.00 H new ATOM 0 HA THR A 26 -1.408 11.860 -6.554 1.00 0.00 H new ATOM 0 HB THR A 26 0.193 10.246 -5.282 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.115 11.949 -3.536 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.049 11.926 -5.457 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.977 11.955 -6.877 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.832 13.214 -5.628 1.00 0.00 H new ATOM 376 N SER A 27 -2.153 9.322 -6.257 1.00 0.00 N ATOM 377 CA SER A 27 -3.017 8.143 -6.354 1.00 0.00 C ATOM 378 C SER A 27 -2.206 6.932 -6.854 1.00 0.00 C ATOM 379 O SER A 27 -1.241 7.087 -7.617 1.00 0.00 O ATOM 380 CB SER A 27 -4.168 8.480 -7.298 1.00 0.00 C ATOM 381 OG SER A 27 -4.931 9.568 -6.802 1.00 0.00 O ATOM 0 H SER A 27 -1.371 9.298 -6.911 1.00 0.00 H new ATOM 0 HA SER A 27 -3.420 7.876 -5.377 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.774 8.727 -8.284 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.810 7.607 -7.421 1.00 0.00 H new ATOM 0 HG SER A 27 -5.441 9.971 -7.535 1.00 0.00 H new ATOM 387 N TRP A 28 -2.582 5.731 -6.408 1.00 0.00 N ATOM 388 CA TRP A 28 -1.760 4.521 -6.456 1.00 0.00 C ATOM 389 C TRP A 28 -2.653 3.277 -6.616 1.00 0.00 C ATOM 390 O TRP A 28 -3.883 3.389 -6.607 1.00 0.00 O ATOM 391 CB TRP A 28 -0.914 4.429 -5.167 1.00 0.00 C ATOM 392 CG TRP A 28 -0.156 5.664 -4.752 1.00 0.00 C ATOM 393 CD1 TRP A 28 -0.683 6.702 -4.063 1.00 0.00 C ATOM 394 CD2 TRP A 28 1.249 6.017 -4.962 1.00 0.00 C ATOM 395 NE1 TRP A 28 0.261 7.695 -3.911 1.00 0.00 N ATOM 396 CE2 TRP A 28 1.466 7.339 -4.470 1.00 0.00 C ATOM 397 CE3 TRP A 28 2.374 5.354 -5.495 1.00 0.00 C ATOM 398 CZ2 TRP A 28 2.706 7.988 -4.562 1.00 0.00 C ATOM 399 CZ3 TRP A 28 3.617 6.003 -5.628 1.00 0.00 C ATOM 400 CH2 TRP A 28 3.786 7.320 -5.163 1.00 0.00 C ATOM 0 H TRP A 28 -3.498 5.569 -5.990 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.091 4.567 -7.316 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.576 4.147 -4.348 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.197 3.618 -5.291 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.695 6.746 -3.687 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.087 8.584 -3.442 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.280 4.325 -5.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.829 8.989 -4.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.445 5.486 -6.090 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.740 7.815 -5.267 1.00 0.00 H new ATOM 411 N VAL A 29 -2.072 2.087 -6.774 1.00 0.00 N ATOM 412 CA VAL A 29 -2.787 0.818 -6.958 1.00 0.00 C ATOM 413 C VAL A 29 -1.957 -0.276 -6.281 1.00 0.00 C ATOM 414 O VAL A 29 -0.764 -0.361 -6.541 1.00 0.00 O ATOM 415 CB VAL A 29 -2.964 0.552 -8.471 1.00 0.00 C ATOM 416 CG1 VAL A 29 -3.546 -0.833 -8.789 1.00 0.00 C ATOM 417 CG2 VAL A 29 -3.817 1.618 -9.166 1.00 0.00 C ATOM 0 H VAL A 29 -1.058 1.973 -6.778 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.781 0.842 -6.511 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.948 0.594 -8.864 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.642 -0.948 -9.869 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.882 -1.605 -8.399 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.528 -0.930 -8.325 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.906 1.379 -10.226 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.809 1.642 -8.714 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.344 2.593 -9.053 1.00 0.00 H new ATOM 427 N LEU A 30 -2.545 -1.082 -5.392 1.00 0.00 N ATOM 428 CA LEU A 30 -1.885 -2.239 -4.779 1.00 0.00 C ATOM 429 C LEU A 30 -1.692 -3.275 -5.871 1.00 0.00 C ATOM 430 O LEU A 30 -2.656 -3.593 -6.570 1.00 0.00 O ATOM 431 CB LEU A 30 -2.782 -2.826 -3.679 1.00 0.00 C ATOM 432 CG LEU A 30 -2.282 -4.050 -2.879 1.00 0.00 C ATOM 433 CD1 LEU A 30 -2.546 -5.398 -3.562 1.00 0.00 C ATOM 434 CD2 LEU A 30 -0.828 -3.947 -2.430 1.00 0.00 C ATOM 0 H LEU A 30 -3.505 -0.948 -5.074 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.932 -1.949 -4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.991 -2.029 -2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.731 -3.099 -4.139 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.898 -4.024 -1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.165 -6.204 -2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.618 -5.528 -3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.043 -5.421 -4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.554 -4.844 -1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.183 -3.849 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.706 -3.073 -1.790 1.00 0.00 H new ATOM 446 N SER A 31 -0.497 -3.852 -5.970 1.00 0.00 N ATOM 447 CA SER A 31 -0.238 -4.943 -6.906 1.00 0.00 C ATOM 448 C SER A 31 0.524 -6.106 -6.254 1.00 0.00 C ATOM 449 O SER A 31 0.644 -7.175 -6.854 1.00 0.00 O ATOM 450 CB SER A 31 0.532 -4.372 -8.107 1.00 0.00 C ATOM 451 OG SER A 31 0.294 -5.060 -9.321 1.00 0.00 O ATOM 0 H SER A 31 0.311 -3.580 -5.410 1.00 0.00 H new ATOM 0 HA SER A 31 -1.189 -5.362 -7.235 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.260 -3.324 -8.235 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.599 -4.400 -7.888 1.00 0.00 H new ATOM 0 HG SER A 31 0.813 -4.643 -10.040 1.00 0.00 H new ATOM 457 N ALA A 32 1.040 -5.950 -5.028 1.00 0.00 N ATOM 458 CA ALA A 32 1.858 -6.971 -4.386 1.00 0.00 C ATOM 459 C ALA A 32 1.759 -6.819 -2.869 1.00 0.00 C ATOM 460 O ALA A 32 1.751 -5.702 -2.357 1.00 0.00 O ATOM 461 CB ALA A 32 3.302 -6.835 -4.898 1.00 0.00 C ATOM 0 H ALA A 32 0.899 -5.114 -4.461 1.00 0.00 H new ATOM 0 HA ALA A 32 1.506 -7.972 -4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.928 -7.593 -4.427 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.319 -6.971 -5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.684 -5.844 -4.651 1.00 0.00 H new ATOM 467 N TRP A 33 1.699 -7.936 -2.143 1.00 0.00 N ATOM 468 CA TRP A 33 1.656 -7.989 -0.687 1.00 0.00 C ATOM 469 C TRP A 33 2.632 -9.076 -0.252 1.00 0.00 C ATOM 470 O TRP A 33 2.346 -10.263 -0.387 1.00 0.00 O ATOM 471 CB TRP A 33 0.220 -8.267 -0.219 1.00 0.00 C ATOM 472 CG TRP A 33 -0.079 -8.099 1.235 1.00 0.00 C ATOM 473 CD1 TRP A 33 0.810 -8.104 2.252 1.00 0.00 C ATOM 474 CD2 TRP A 33 -1.383 -7.886 1.853 1.00 0.00 C ATOM 475 NE1 TRP A 33 0.151 -7.894 3.437 1.00 0.00 N ATOM 476 CE2 TRP A 33 -1.205 -7.754 3.260 1.00 0.00 C ATOM 477 CE3 TRP A 33 -2.703 -7.813 1.361 1.00 0.00 C ATOM 478 CZ2 TRP A 33 -2.278 -7.560 4.139 1.00 0.00 C ATOM 479 CZ3 TRP A 33 -3.790 -7.595 2.231 1.00 0.00 C ATOM 480 CH2 TRP A 33 -3.576 -7.469 3.615 1.00 0.00 C ATOM 0 H TRP A 33 1.678 -8.861 -2.572 1.00 0.00 H new ATOM 0 HA TRP A 33 1.949 -7.041 -0.235 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.448 -7.611 -0.777 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.032 -9.290 -0.498 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.875 -8.251 2.148 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.614 -7.847 4.345 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -2.883 -7.926 0.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.109 -7.482 5.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -4.792 -7.524 1.833 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -4.413 -7.302 4.276 1.00 0.00 H new ATOM 491 N LYS A 34 3.848 -8.717 0.154 1.00 0.00 N ATOM 492 CA LYS A 34 4.805 -9.667 0.696 1.00 0.00 C ATOM 493 C LYS A 34 4.471 -9.857 2.162 1.00 0.00 C ATOM 494 O LYS A 34 4.254 -8.860 2.855 1.00 0.00 O ATOM 495 CB LYS A 34 6.244 -9.139 0.555 1.00 0.00 C ATOM 496 CG LYS A 34 7.203 -10.280 0.209 1.00 0.00 C ATOM 497 CD LYS A 34 7.271 -10.523 -1.307 1.00 0.00 C ATOM 498 CE LYS A 34 8.323 -9.618 -1.945 1.00 0.00 C ATOM 499 NZ LYS A 34 8.701 -10.042 -3.309 1.00 0.00 N ATOM 0 H LYS A 34 4.193 -7.758 0.115 1.00 0.00 H new ATOM 0 HA LYS A 34 4.744 -10.610 0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.283 -8.375 -0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.556 -8.664 1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.199 -10.046 0.585 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.879 -11.192 0.710 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.513 -11.567 -1.504 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.297 -10.332 -1.756 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.942 -8.597 -1.981 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.213 -9.605 -1.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.417 -9.390 -3.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.092 -11.005 -3.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.861 -10.029 -3.922 1.00 0.00 H new ATOM 513 N GLN A 35 4.488 -11.094 2.642 1.00 0.00 N ATOM 514 CA GLN A 35 4.660 -11.330 4.051 1.00 0.00 C ATOM 515 C GLN A 35 6.067 -10.898 4.438 1.00 0.00 C ATOM 516 O GLN A 35 6.944 -10.785 3.575 1.00 0.00 O ATOM 517 CB GLN A 35 4.431 -12.796 4.401 1.00 0.00 C ATOM 518 CG GLN A 35 2.995 -13.234 4.086 1.00 0.00 C ATOM 519 CD GLN A 35 2.546 -14.498 4.810 1.00 0.00 C ATOM 520 OE1 GLN A 35 3.383 -15.104 5.634 1.00 0.00 O flip ATOM 521 NE2 GLN A 35 1.397 -14.909 4.667 1.00 0.00 N flip ATOM 0 H GLN A 35 4.385 -11.935 2.075 1.00 0.00 H new ATOM 0 HA GLN A 35 3.923 -10.752 4.608 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.132 -13.417 3.844 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.636 -12.954 5.460 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.316 -12.422 4.345 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.905 -13.395 3.012 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.761 -14.432 4.028 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.079 -15.727 5.187 1.00 0.00 H new ATOM 530 N ALA A 36 6.305 -10.727 5.736 1.00 0.00 N ATOM 531 CA ALA A 36 7.602 -10.268 6.217 1.00 0.00 C ATOM 532 C ALA A 36 8.704 -11.255 5.846 1.00 0.00 C ATOM 533 O ALA A 36 9.821 -10.865 5.494 1.00 0.00 O ATOM 534 CB ALA A 36 7.563 -10.137 7.732 1.00 0.00 C ATOM 0 H ALA A 36 5.618 -10.899 6.470 1.00 0.00 H new ATOM 0 HA ALA A 36 7.814 -9.305 5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.533 -9.794 8.093 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.795 -9.417 8.015 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.333 -11.106 8.175 1.00 0.00 H new ATOM 540 N ASP A 37 8.384 -12.546 5.906 1.00 0.00 N ATOM 541 CA ASP A 37 9.353 -13.610 5.680 1.00 0.00 C ATOM 542 C ASP A 37 9.629 -13.773 4.180 1.00 0.00 C ATOM 543 O ASP A 37 10.624 -14.393 3.802 1.00 0.00 O ATOM 544 CB ASP A 37 8.880 -14.902 6.357 1.00 0.00 C ATOM 545 CG ASP A 37 9.414 -15.004 7.789 1.00 0.00 C ATOM 546 OD1 ASP A 37 10.542 -15.522 7.954 1.00 0.00 O ATOM 547 OD2 ASP A 37 8.717 -14.594 8.751 1.00 0.00 O ATOM 0 H ASP A 37 7.443 -12.882 6.113 1.00 0.00 H new ATOM 0 HA ASP A 37 10.307 -13.348 6.138 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.790 -14.931 6.369 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.216 -15.763 5.779 1.00 0.00 H new ATOM 552 N GLY A 38 8.811 -13.160 3.313 1.00 0.00 N ATOM 553 CA GLY A 38 9.060 -13.029 1.889 1.00 0.00 C ATOM 554 C GLY A 38 8.007 -13.678 1.009 1.00 0.00 C ATOM 555 O GLY A 38 8.087 -13.523 -0.203 1.00 0.00 O ATOM 0 H GLY A 38 7.932 -12.731 3.603 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.123 -11.970 1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.030 -13.469 1.660 1.00 0.00 H new ATOM 559 N THR A 39 7.016 -14.378 1.564 1.00 0.00 N ATOM 560 CA THR A 39 5.978 -15.011 0.778 1.00 0.00 C ATOM 561 C THR A 39 5.038 -13.935 0.246 1.00 0.00 C ATOM 562 O THR A 39 4.292 -13.320 1.003 1.00 0.00 O ATOM 563 CB THR A 39 5.312 -16.083 1.646 1.00 0.00 C ATOM 564 OG1 THR A 39 6.272 -17.092 1.898 1.00 0.00 O ATOM 565 CG2 THR A 39 4.077 -16.706 1.001 1.00 0.00 C ATOM 0 H THR A 39 6.918 -14.517 2.570 1.00 0.00 H new ATOM 0 HA THR A 39 6.365 -15.524 -0.102 1.00 0.00 H new ATOM 0 HB THR A 39 4.968 -15.606 2.564 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.872 -17.792 2.455 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.656 -17.456 1.670 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.334 -15.931 0.813 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.357 -17.177 0.059 1.00 0.00 H new ATOM 573 N ALA A 40 5.100 -13.656 -1.050 1.00 0.00 N ATOM 574 CA ALA A 40 4.104 -12.873 -1.750 1.00 0.00 C ATOM 575 C ALA A 40 2.754 -13.583 -1.697 1.00 0.00 C ATOM 576 O ALA A 40 2.557 -14.639 -2.304 1.00 0.00 O ATOM 577 CB ALA A 40 4.570 -12.623 -3.173 1.00 0.00 C ATOM 0 H ALA A 40 5.860 -13.976 -1.650 1.00 0.00 H new ATOM 0 HA ALA A 40 3.977 -11.904 -1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.822 -12.033 -3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.515 -12.080 -3.156 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.709 -13.576 -3.683 1.00 0.00 H new ATOM 583 N ARG A 41 1.836 -12.993 -0.939 1.00 0.00 N ATOM 584 CA ARG A 41 0.442 -13.386 -0.844 1.00 0.00 C ATOM 585 C ARG A 41 -0.239 -13.246 -2.196 1.00 0.00 C ATOM 586 O ARG A 41 0.154 -12.404 -3.008 1.00 0.00 O ATOM 587 CB ARG A 41 -0.233 -12.484 0.195 1.00 0.00 C ATOM 588 CG ARG A 41 0.090 -12.953 1.616 1.00 0.00 C ATOM 589 CD ARG A 41 -0.002 -11.799 2.629 1.00 0.00 C ATOM 590 NE ARG A 41 -0.532 -12.310 3.898 1.00 0.00 N ATOM 591 CZ ARG A 41 -0.870 -11.610 4.983 1.00 0.00 C ATOM 592 NH1 ARG A 41 -0.432 -10.384 5.216 1.00 0.00 N ATOM 593 NH2 ARG A 41 -1.693 -12.167 5.853 1.00 0.00 N ATOM 0 H ARG A 41 2.058 -12.191 -0.349 1.00 0.00 H new ATOM 0 HA ARG A 41 0.363 -14.430 -0.540 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.102 -11.455 0.062 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.312 -12.490 0.042 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.600 -13.746 1.904 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.093 -13.379 1.640 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.982 -11.357 2.784 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.648 -11.011 2.242 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.657 -13.321 3.958 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.194 -9.931 4.550 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.720 -9.891 6.061 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.052 -13.107 5.686 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.970 -11.657 6.692 1.00 0.00 H new ATOM 607 N ALA A 42 -1.299 -14.026 -2.405 1.00 0.00 N ATOM 608 CA ALA A 42 -2.181 -13.829 -3.546 1.00 0.00 C ATOM 609 C ALA A 42 -2.921 -12.504 -3.359 1.00 0.00 C ATOM 610 O ALA A 42 -3.463 -12.255 -2.276 1.00 0.00 O ATOM 611 CB ALA A 42 -3.165 -14.997 -3.677 1.00 0.00 C ATOM 0 H ALA A 42 -1.565 -14.800 -1.796 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.598 -13.794 -4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.815 -14.830 -4.536 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.611 -15.925 -3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.769 -15.067 -2.773 1.00 0.00 H new ATOM 617 N VAL A 43 -2.962 -11.672 -4.401 1.00 0.00 N ATOM 618 CA VAL A 43 -3.672 -10.399 -4.411 1.00 0.00 C ATOM 619 C VAL A 43 -4.385 -10.209 -5.759 1.00 0.00 C ATOM 620 O VAL A 43 -3.963 -10.790 -6.769 1.00 0.00 O ATOM 621 CB VAL A 43 -2.711 -9.229 -4.099 1.00 0.00 C ATOM 622 CG1 VAL A 43 -2.104 -9.327 -2.694 1.00 0.00 C ATOM 623 CG2 VAL A 43 -1.553 -9.070 -5.095 1.00 0.00 C ATOM 0 H VAL A 43 -2.489 -11.873 -5.282 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.429 -10.407 -3.626 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.356 -8.354 -4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.437 -8.481 -2.526 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.902 -9.313 -1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.541 -10.256 -2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.931 -8.226 -4.798 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.952 -9.979 -5.102 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.953 -8.892 -6.093 1.00 0.00 H new ATOM 633 N PRO A 44 -5.447 -9.389 -5.820 1.00 0.00 N ATOM 634 CA PRO A 44 -6.176 -9.146 -7.056 1.00 0.00 C ATOM 635 C PRO A 44 -5.323 -8.321 -8.020 1.00 0.00 C ATOM 636 O PRO A 44 -5.086 -7.132 -7.790 1.00 0.00 O ATOM 637 CB PRO A 44 -7.468 -8.445 -6.641 1.00 0.00 C ATOM 638 CG PRO A 44 -7.128 -7.790 -5.313 1.00 0.00 C ATOM 639 CD PRO A 44 -6.088 -8.712 -4.699 1.00 0.00 C ATOM 0 HA PRO A 44 -6.411 -10.063 -7.597 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.776 -7.707 -7.382 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -8.290 -9.154 -6.537 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.734 -6.784 -5.454 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.008 -7.701 -4.676 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.361 -8.148 -4.115 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.552 -9.429 -4.022 1.00 0.00 H new ATOM 647 N SER A 45 -4.848 -8.957 -9.090 1.00 0.00 N ATOM 648 CA SER A 45 -4.140 -8.305 -10.176 1.00 0.00 C ATOM 649 C SER A 45 -5.085 -7.400 -10.987 1.00 0.00 C ATOM 650 O SER A 45 -6.316 -7.505 -10.891 1.00 0.00 O ATOM 651 CB SER A 45 -3.450 -9.401 -11.015 1.00 0.00 C ATOM 652 OG SER A 45 -4.002 -9.605 -12.292 1.00 0.00 O ATOM 0 H SER A 45 -4.950 -9.963 -9.223 1.00 0.00 H new ATOM 0 HA SER A 45 -3.370 -7.633 -9.797 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.397 -9.143 -11.127 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.491 -10.340 -10.463 1.00 0.00 H new ATOM 0 HG SER A 45 -3.505 -10.312 -12.754 1.00 0.00 H new ATOM 658 N ALA A 46 -4.492 -6.580 -11.857 1.00 0.00 N ATOM 659 CA ALA A 46 -5.180 -5.776 -12.867 1.00 0.00 C ATOM 660 C ALA A 46 -5.774 -6.626 -14.004 1.00 0.00 C ATOM 661 O ALA A 46 -6.513 -6.104 -14.835 1.00 0.00 O ATOM 662 CB ALA A 46 -4.203 -4.739 -13.434 1.00 0.00 C ATOM 0 H ALA A 46 -3.480 -6.454 -11.877 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.020 -5.280 -12.380 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.709 -4.136 -14.188 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.850 -4.093 -12.630 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.354 -5.249 -13.888 1.00 0.00 H new ATOM 668 N ASP A 47 -5.477 -7.925 -14.048 1.00 0.00 N ATOM 669 CA ASP A 47 -5.949 -8.913 -15.026 1.00 0.00 C ATOM 670 C ASP A 47 -6.761 -10.025 -14.341 1.00 0.00 C ATOM 671 O ASP A 47 -7.073 -11.052 -14.941 1.00 0.00 O ATOM 672 CB ASP A 47 -4.748 -9.496 -15.780 1.00 0.00 C ATOM 673 CG ASP A 47 -5.157 -10.357 -16.974 1.00 0.00 C ATOM 674 OD1 ASP A 47 -6.004 -9.932 -17.787 1.00 0.00 O ATOM 675 OD2 ASP A 47 -4.555 -11.444 -17.142 1.00 0.00 O ATOM 0 H ASP A 47 -4.858 -8.346 -13.355 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.611 -8.419 -15.737 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.113 -8.681 -16.127 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.151 -10.096 -15.093 1.00 0.00 H new ATOM 680 N GLN A 48 -7.092 -9.842 -13.056 1.00 0.00 N ATOM 681 CA GLN A 48 -7.994 -10.727 -12.325 1.00 0.00 C ATOM 682 C GLN A 48 -9.422 -10.173 -12.252 1.00 0.00 C ATOM 683 O GLN A 48 -10.334 -10.904 -11.857 1.00 0.00 O ATOM 684 CB GLN A 48 -7.453 -10.996 -10.919 1.00 0.00 C ATOM 685 CG GLN A 48 -6.289 -11.982 -10.898 1.00 0.00 C ATOM 686 CD GLN A 48 -6.623 -13.324 -11.534 1.00 0.00 C ATOM 687 OE1 GLN A 48 -7.488 -14.063 -11.059 1.00 0.00 O ATOM 688 NE2 GLN A 48 -5.950 -13.645 -12.621 1.00 0.00 N ATOM 0 H GLN A 48 -6.736 -9.068 -12.495 1.00 0.00 H new ATOM 0 HA GLN A 48 -8.042 -11.666 -12.877 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.130 -10.054 -10.475 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.259 -11.383 -10.295 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.440 -11.542 -11.421 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.979 -12.144 -9.866 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.241 -13.010 -12.988 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.139 -14.528 -13.095 1.00 0.00 H new ATOM 697 N GLY A 49 -9.645 -8.916 -12.643 1.00 0.00 N ATOM 698 CA GLY A 49 -10.970 -8.344 -12.812 1.00 0.00 C ATOM 699 C GLY A 49 -11.194 -7.048 -12.050 1.00 0.00 C ATOM 700 O GLY A 49 -11.761 -6.102 -12.597 1.00 0.00 O ATOM 0 H GLY A 49 -8.892 -8.261 -12.853 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.142 -8.162 -13.873 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.712 -9.074 -12.489 1.00 0.00 H new ATOM 704 N ALA A 50 -10.776 -7.006 -10.795 1.00 0.00 N ATOM 705 CA ALA A 50 -11.039 -5.961 -9.819 1.00 0.00 C ATOM 706 C ALA A 50 -9.766 -5.677 -9.004 1.00 0.00 C ATOM 707 O ALA A 50 -9.618 -6.204 -7.901 1.00 0.00 O ATOM 708 CB ALA A 50 -12.186 -6.427 -8.927 1.00 0.00 C ATOM 0 H ALA A 50 -10.204 -7.754 -10.404 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.324 -5.031 -10.310 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.404 -5.660 -8.184 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -13.072 -6.604 -9.537 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -11.902 -7.350 -8.422 1.00 0.00 H new ATOM 714 N PRO A 51 -8.804 -4.907 -9.536 1.00 0.00 N ATOM 715 CA PRO A 51 -7.598 -4.520 -8.809 1.00 0.00 C ATOM 716 C PRO A 51 -7.932 -3.600 -7.630 1.00 0.00 C ATOM 717 O PRO A 51 -8.967 -2.924 -7.628 1.00 0.00 O ATOM 718 CB PRO A 51 -6.710 -3.820 -9.841 1.00 0.00 C ATOM 719 CG PRO A 51 -7.694 -3.320 -10.901 1.00 0.00 C ATOM 720 CD PRO A 51 -8.819 -4.351 -10.873 1.00 0.00 C ATOM 0 HA PRO A 51 -7.094 -5.382 -8.371 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.153 -2.997 -9.394 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.978 -4.506 -10.268 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.061 -2.321 -10.665 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.228 -3.264 -11.885 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.781 -3.888 -11.094 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.659 -5.127 -11.622 1.00 0.00 H new ATOM 728 N ILE A 52 -7.030 -3.536 -6.650 1.00 0.00 N ATOM 729 CA ILE A 52 -7.165 -2.702 -5.460 1.00 0.00 C ATOM 730 C ILE A 52 -6.534 -1.340 -5.756 1.00 0.00 C ATOM 731 O ILE A 52 -5.322 -1.253 -5.938 1.00 0.00 O ATOM 732 CB ILE A 52 -6.568 -3.446 -4.237 1.00 0.00 C ATOM 733 CG1 ILE A 52 -7.571 -4.544 -3.822 1.00 0.00 C ATOM 734 CG2 ILE A 52 -6.226 -2.537 -3.034 1.00 0.00 C ATOM 735 CD1 ILE A 52 -7.154 -5.384 -2.615 1.00 0.00 C ATOM 0 H ILE A 52 -6.165 -4.077 -6.664 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.207 -2.514 -5.202 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.609 -3.866 -4.541 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.530 -4.074 -3.603 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.728 -5.210 -4.671 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.815 -3.142 -2.226 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.492 -1.791 -3.339 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.130 -2.036 -2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.924 -6.126 -2.404 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.213 -5.890 -2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.027 -4.736 -1.747 1.00 0.00 H new ATOM 747 N THR A 53 -7.331 -0.273 -5.806 1.00 0.00 N ATOM 748 CA THR A 53 -6.893 1.047 -6.262 1.00 0.00 C ATOM 749 C THR A 53 -7.072 2.034 -5.098 1.00 0.00 C ATOM 750 O THR A 53 -8.080 1.971 -4.384 1.00 0.00 O ATOM 751 CB THR A 53 -7.670 1.421 -7.548 1.00 0.00 C ATOM 752 OG1 THR A 53 -9.043 1.684 -7.308 1.00 0.00 O ATOM 753 CG2 THR A 53 -7.621 0.291 -8.582 1.00 0.00 C ATOM 0 H THR A 53 -8.312 -0.301 -5.527 1.00 0.00 H new ATOM 0 HA THR A 53 -5.838 1.068 -6.536 1.00 0.00 H new ATOM 0 HB THR A 53 -7.178 2.321 -7.917 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.484 1.916 -8.152 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.176 0.588 -9.472 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.584 0.089 -8.852 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.067 -0.609 -8.159 1.00 0.00 H new ATOM 761 N LEU A 54 -6.144 2.972 -4.892 1.00 0.00 N ATOM 762 CA LEU A 54 -6.161 3.951 -3.799 1.00 0.00 C ATOM 763 C LEU A 54 -6.051 5.358 -4.395 1.00 0.00 C ATOM 764 O LEU A 54 -5.286 5.584 -5.335 1.00 0.00 O ATOM 765 CB LEU A 54 -5.007 3.633 -2.825 1.00 0.00 C ATOM 766 CG LEU A 54 -4.751 4.716 -1.755 1.00 0.00 C ATOM 767 CD1 LEU A 54 -5.832 4.902 -0.689 1.00 0.00 C ATOM 768 CD2 LEU A 54 -3.433 4.471 -1.030 1.00 0.00 C ATOM 0 H LEU A 54 -5.332 3.075 -5.501 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.093 3.900 -3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.222 2.689 -2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.093 3.487 -3.401 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.741 5.631 -2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.531 5.691 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.772 5.178 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.965 3.970 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.279 5.249 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.463 3.498 -0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.613 4.491 -1.748 1.00 0.00 H new ATOM 780 N THR A 55 -6.788 6.313 -3.843 1.00 0.00 N ATOM 781 CA THR A 55 -6.841 7.698 -4.274 1.00 0.00 C ATOM 782 C THR A 55 -6.755 8.567 -3.017 1.00 0.00 C ATOM 783 O THR A 55 -7.457 8.294 -2.040 1.00 0.00 O ATOM 784 CB THR A 55 -8.152 7.927 -5.046 1.00 0.00 C ATOM 785 OG1 THR A 55 -8.347 6.937 -6.046 1.00 0.00 O ATOM 786 CG2 THR A 55 -8.108 9.249 -5.796 1.00 0.00 C ATOM 0 H THR A 55 -7.394 6.130 -3.043 1.00 0.00 H new ATOM 0 HA THR A 55 -6.019 7.955 -4.942 1.00 0.00 H new ATOM 0 HB THR A 55 -8.948 7.902 -4.302 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.189 7.109 -6.517 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.044 9.393 -6.336 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.969 10.065 -5.087 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.279 9.238 -6.504 1.00 0.00 H new ATOM 794 N LEU A 56 -5.851 9.551 -2.998 1.00 0.00 N ATOM 795 CA LEU A 56 -5.681 10.479 -1.894 1.00 0.00 C ATOM 796 C LEU A 56 -5.964 11.854 -2.457 1.00 0.00 C ATOM 797 O LEU A 56 -5.323 12.249 -3.428 1.00 0.00 O ATOM 798 CB LEU A 56 -4.248 10.448 -1.348 1.00 0.00 C ATOM 799 CG LEU A 56 -3.733 9.100 -0.838 1.00 0.00 C ATOM 800 CD1 LEU A 56 -4.623 8.493 0.250 1.00 0.00 C ATOM 801 CD2 LEU A 56 -3.451 8.070 -1.931 1.00 0.00 C ATOM 0 H LEU A 56 -5.207 9.722 -3.770 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.347 10.215 -1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.577 10.792 -2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.179 11.168 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.769 9.349 -0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.206 7.539 0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.672 9.172 1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.626 8.336 -0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.090 7.147 -1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.367 7.868 -2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.694 8.460 -2.611 1.00 0.00 H new ATOM 813 N SER A 57 -6.923 12.559 -1.870 1.00 0.00 N ATOM 814 CA SER A 57 -7.325 13.891 -2.276 1.00 0.00 C ATOM 815 C SER A 57 -8.245 14.443 -1.171 1.00 0.00 C ATOM 816 O SER A 57 -8.066 14.102 0.007 1.00 0.00 O ATOM 817 CB SER A 57 -7.927 13.872 -3.694 1.00 0.00 C ATOM 818 OG SER A 57 -7.977 15.184 -4.234 1.00 0.00 O ATOM 0 H SER A 57 -7.455 12.205 -1.075 1.00 0.00 H new ATOM 0 HA SER A 57 -6.479 14.573 -2.368 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.329 13.230 -4.340 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.930 13.447 -3.663 1.00 0.00 H new ATOM 0 HG SER A 57 -7.066 15.529 -4.341 1.00 0.00 H new ATOM 824 N THR A 58 -9.159 15.361 -1.508 1.00 0.00 N ATOM 825 CA THR A 58 -10.133 15.929 -0.582 1.00 0.00 C ATOM 826 C THR A 58 -11.589 15.716 -1.050 1.00 0.00 C ATOM 827 O THR A 58 -12.386 16.654 -0.999 1.00 0.00 O ATOM 828 CB THR A 58 -9.786 17.408 -0.304 1.00 0.00 C ATOM 829 OG1 THR A 58 -9.679 18.145 -1.507 1.00 0.00 O ATOM 830 CG2 THR A 58 -8.479 17.586 0.468 1.00 0.00 C ATOM 0 H THR A 58 -9.240 15.734 -2.454 1.00 0.00 H new ATOM 0 HA THR A 58 -10.070 15.392 0.364 1.00 0.00 H new ATOM 0 HB THR A 58 -10.608 17.781 0.307 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.460 19.078 -1.301 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.294 18.648 0.630 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.553 17.079 1.430 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.657 17.158 -0.105 1.00 0.00 H new ATOM 838 N SER A 59 -11.984 14.508 -1.477 1.00 0.00 N ATOM 839 CA SER A 59 -13.310 14.258 -2.058 1.00 0.00 C ATOM 840 C SER A 59 -14.442 14.592 -1.068 1.00 0.00 C ATOM 841 O SER A 59 -15.391 15.301 -1.418 1.00 0.00 O ATOM 842 CB SER A 59 -13.404 12.817 -2.594 1.00 0.00 C ATOM 843 OG SER A 59 -14.276 12.748 -3.711 1.00 0.00 O ATOM 0 H SER A 59 -11.393 13.678 -1.429 1.00 0.00 H new ATOM 0 HA SER A 59 -13.441 14.931 -2.905 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.412 12.466 -2.879 1.00 0.00 H new ATOM 0 HB3 SER A 59 -13.763 12.154 -1.806 1.00 0.00 H new ATOM 0 HG SER A 59 -14.319 11.824 -4.036 1.00 0.00 H new ATOM 849 N THR A 60 -14.363 14.152 0.194 1.00 0.00 N ATOM 850 CA THR A 60 -15.330 14.551 1.222 1.00 0.00 C ATOM 851 C THR A 60 -15.059 15.972 1.763 1.00 0.00 C ATOM 852 O THR A 60 -15.772 16.458 2.643 1.00 0.00 O ATOM 853 CB THR A 60 -15.413 13.470 2.317 1.00 0.00 C ATOM 854 OG1 THR A 60 -16.669 13.549 2.962 1.00 0.00 O ATOM 855 CG2 THR A 60 -14.300 13.574 3.363 1.00 0.00 C ATOM 0 H THR A 60 -13.637 13.518 0.527 1.00 0.00 H new ATOM 0 HA THR A 60 -16.318 14.619 0.767 1.00 0.00 H new ATOM 0 HB THR A 60 -15.288 12.509 1.818 1.00 0.00 H new ATOM 0 HG1 THR A 60 -16.888 14.488 3.138 1.00 0.00 H new ATOM 0 HG21 THR A 60 -14.421 12.782 4.103 1.00 0.00 H new ATOM 0 HG22 THR A 60 -13.331 13.470 2.875 1.00 0.00 H new ATOM 0 HG23 THR A 60 -14.355 14.544 3.857 1.00 0.00 H new ATOM 863 N GLY A 61 -14.050 16.677 1.257 1.00 0.00 N ATOM 864 CA GLY A 61 -13.661 18.012 1.685 1.00 0.00 C ATOM 865 C GLY A 61 -12.656 18.004 2.833 1.00 0.00 C ATOM 866 O GLY A 61 -12.122 19.068 3.147 1.00 0.00 O ATOM 0 H GLY A 61 -13.459 16.316 0.508 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.232 18.548 0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.550 18.562 1.993 1.00 0.00 H new ATOM 870 N GLN A 62 -12.383 16.853 3.462 1.00 0.00 N ATOM 871 CA GLN A 62 -11.231 16.645 4.335 1.00 0.00 C ATOM 872 C GLN A 62 -10.188 15.809 3.591 1.00 0.00 C ATOM 873 O GLN A 62 -10.551 15.107 2.645 1.00 0.00 O ATOM 874 CB GLN A 62 -11.653 15.928 5.624 1.00 0.00 C ATOM 875 CG GLN A 62 -12.724 16.692 6.418 1.00 0.00 C ATOM 876 CD GLN A 62 -14.088 16.015 6.342 1.00 0.00 C ATOM 877 OE1 GLN A 62 -14.280 14.937 6.905 1.00 0.00 O ATOM 878 NE2 GLN A 62 -15.046 16.605 5.651 1.00 0.00 N ATOM 0 H GLN A 62 -12.973 16.026 3.373 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.807 17.612 4.606 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -12.033 14.938 5.374 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.776 15.783 6.255 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -12.416 16.768 7.461 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.803 17.709 6.034 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -14.868 17.498 5.192 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -15.965 16.168 5.577 1.00 0.00 H new ATOM 887 N ARG A 63 -8.922 15.838 4.035 1.00 0.00 N ATOM 888 CA ARG A 63 -7.861 14.961 3.533 1.00 0.00 C ATOM 889 C ARG A 63 -8.193 13.509 3.872 1.00 0.00 C ATOM 890 O ARG A 63 -7.870 13.013 4.956 1.00 0.00 O ATOM 891 CB ARG A 63 -6.465 15.396 4.028 1.00 0.00 C ATOM 892 CG ARG A 63 -6.313 15.618 5.543 1.00 0.00 C ATOM 893 CD ARG A 63 -4.860 15.804 5.998 1.00 0.00 C ATOM 894 NE ARG A 63 -4.160 16.873 5.268 1.00 0.00 N ATOM 895 CZ ARG A 63 -4.028 18.163 5.602 1.00 0.00 C ATOM 896 NH1 ARG A 63 -4.489 18.625 6.760 1.00 0.00 N ATOM 897 NH2 ARG A 63 -3.422 18.991 4.765 1.00 0.00 N ATOM 0 H ARG A 63 -8.606 16.480 4.762 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.815 15.047 2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.743 14.640 3.720 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.195 16.321 3.519 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.890 16.497 5.832 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.743 14.767 6.071 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.845 16.030 7.064 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.320 14.867 5.864 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.717 16.595 4.392 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.953 17.993 7.413 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.379 19.611 6.996 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.061 18.644 3.876 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.316 19.976 5.009 1.00 0.00 H new ATOM 911 N HIS A 64 -8.877 12.822 2.966 1.00 0.00 N ATOM 912 CA HIS A 64 -9.285 11.457 3.153 1.00 0.00 C ATOM 913 C HIS A 64 -8.974 10.647 1.909 1.00 0.00 C ATOM 914 O HIS A 64 -8.829 11.183 0.809 1.00 0.00 O ATOM 915 CB HIS A 64 -10.749 11.424 3.608 1.00 0.00 C ATOM 916 CG HIS A 64 -11.777 11.248 2.536 1.00 0.00 C ATOM 917 ND1 HIS A 64 -12.824 10.359 2.548 1.00 0.00 N ATOM 918 CD2 HIS A 64 -11.838 11.965 1.385 1.00 0.00 C ATOM 919 CE1 HIS A 64 -13.492 10.516 1.394 1.00 0.00 C ATOM 920 NE2 HIS A 64 -12.952 11.514 0.668 1.00 0.00 N ATOM 0 H HIS A 64 -9.163 13.215 2.069 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.717 10.976 3.950 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.864 10.614 4.328 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.963 12.353 4.137 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -13.052 9.702 3.294 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -11.152 12.741 1.079 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -14.343 9.925 1.090 1.00 0.00 H new ATOM 928 N ALA A 65 -8.818 9.350 2.117 1.00 0.00 N ATOM 929 CA ALA A 65 -8.622 8.400 1.057 1.00 0.00 C ATOM 930 C ALA A 65 -9.996 7.989 0.552 1.00 0.00 C ATOM 931 O ALA A 65 -10.935 7.832 1.347 1.00 0.00 O ATOM 932 CB ALA A 65 -7.862 7.191 1.608 1.00 0.00 C ATOM 0 H ALA A 65 -8.826 8.930 3.046 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.041 8.826 0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.708 6.464 0.811 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.896 7.514 1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.440 6.733 2.411 1.00 0.00 H new ATOM 938 N SER A 66 -10.067 7.716 -0.743 1.00 0.00 N ATOM 939 CA SER A 66 -11.069 6.830 -1.295 1.00 0.00 C ATOM 940 C SER A 66 -10.357 5.746 -2.095 1.00 0.00 C ATOM 941 O SER A 66 -9.242 5.929 -2.586 1.00 0.00 O ATOM 942 CB SER A 66 -12.152 7.584 -2.076 1.00 0.00 C ATOM 943 OG SER A 66 -11.852 8.925 -2.408 1.00 0.00 O ATOM 0 H SER A 66 -9.429 8.105 -1.437 1.00 0.00 H new ATOM 0 HA SER A 66 -11.627 6.347 -0.492 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.355 7.038 -2.998 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.071 7.572 -1.490 1.00 0.00 H new ATOM 0 HG SER A 66 -12.602 9.315 -2.904 1.00 0.00 H new ATOM 949 N GLY A 67 -10.969 4.570 -2.194 1.00 0.00 N ATOM 950 CA GLY A 67 -10.315 3.446 -2.823 1.00 0.00 C ATOM 951 C GLY A 67 -11.178 2.207 -2.818 1.00 0.00 C ATOM 952 O GLY A 67 -12.297 2.206 -2.290 1.00 0.00 O ATOM 0 H GLY A 67 -11.909 4.379 -1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.060 3.705 -3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.379 3.237 -2.306 1.00 0.00 H new ATOM 956 N PHE A 68 -10.658 1.143 -3.419 1.00 0.00 N ATOM 957 CA PHE A 68 -11.331 -0.129 -3.569 1.00 0.00 C ATOM 958 C PHE A 68 -10.433 -1.207 -2.985 1.00 0.00 C ATOM 959 O PHE A 68 -9.398 -1.513 -3.559 1.00 0.00 O ATOM 960 CB PHE A 68 -11.696 -0.349 -5.041 1.00 0.00 C ATOM 961 CG PHE A 68 -12.660 -1.487 -5.304 1.00 0.00 C ATOM 962 CD1 PHE A 68 -13.848 -1.597 -4.557 1.00 0.00 C ATOM 963 CD2 PHE A 68 -12.417 -2.380 -6.362 1.00 0.00 C ATOM 964 CE1 PHE A 68 -14.778 -2.609 -4.850 1.00 0.00 C ATOM 965 CE2 PHE A 68 -13.368 -3.359 -6.687 1.00 0.00 C ATOM 966 CZ PHE A 68 -14.543 -3.481 -5.927 1.00 0.00 C ATOM 0 H PHE A 68 -9.723 1.149 -3.827 1.00 0.00 H new ATOM 0 HA PHE A 68 -12.274 -0.159 -3.024 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -12.130 0.571 -5.432 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -10.780 -0.533 -5.602 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -14.046 -0.901 -3.755 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -11.498 -2.312 -6.925 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.670 -2.716 -4.250 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -13.196 -4.020 -7.523 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.266 -4.245 -6.170 1.00 0.00 H new ATOM 976 N SER A 69 -10.783 -1.719 -1.806 1.00 0.00 N ATOM 977 CA SER A 69 -9.998 -2.694 -1.045 1.00 0.00 C ATOM 978 C SER A 69 -10.244 -4.146 -1.458 1.00 0.00 C ATOM 979 O SER A 69 -9.650 -5.044 -0.869 1.00 0.00 O ATOM 980 CB SER A 69 -10.338 -2.547 0.442 1.00 0.00 C ATOM 981 OG SER A 69 -11.718 -2.223 0.589 1.00 0.00 O ATOM 0 H SER A 69 -11.650 -1.458 -1.337 1.00 0.00 H new ATOM 0 HA SER A 69 -8.949 -2.480 -1.251 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.114 -3.474 0.970 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.722 -1.768 0.891 1.00 0.00 H new ATOM 0 HG SER A 69 -12.250 -2.775 -0.021 1.00 0.00 H new ATOM 987 N GLY A 70 -11.135 -4.399 -2.416 1.00 0.00 N ATOM 988 CA GLY A 70 -11.450 -5.744 -2.851 1.00 0.00 C ATOM 989 C GLY A 70 -12.888 -5.797 -3.316 1.00 0.00 C ATOM 990 O GLY A 70 -13.124 -5.831 -4.521 1.00 0.00 O ATOM 0 H GLY A 70 -11.655 -3.672 -2.908 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.783 -6.042 -3.660 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -11.294 -6.448 -2.034 1.00 0.00 H new ATOM 994 N CYS A 71 -13.860 -5.781 -2.393 1.00 0.00 N ATOM 995 CA CYS A 71 -15.273 -5.774 -2.772 1.00 0.00 C ATOM 996 C CYS A 71 -16.170 -5.080 -1.752 1.00 0.00 C ATOM 997 O CYS A 71 -17.387 -5.226 -1.778 1.00 0.00 O ATOM 998 CB CYS A 71 -15.750 -7.198 -3.036 1.00 0.00 C ATOM 999 SG CYS A 71 -17.386 -7.293 -3.853 1.00 0.00 S ATOM 0 H CYS A 71 -13.692 -5.773 -1.387 1.00 0.00 H new ATOM 0 HA CYS A 71 -15.352 -5.187 -3.687 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -15.014 -7.708 -3.658 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -15.796 -7.737 -2.090 1.00 0.00 H new ATOM 1004 N ASN A 72 -15.612 -4.316 -0.823 1.00 0.00 N ATOM 1005 CA ASN A 72 -16.412 -3.494 0.097 1.00 0.00 C ATOM 1006 C ASN A 72 -16.108 -2.010 -0.041 1.00 0.00 C ATOM 1007 O ASN A 72 -16.831 -1.171 0.501 1.00 0.00 O ATOM 1008 CB ASN A 72 -16.224 -4.010 1.532 1.00 0.00 C ATOM 1009 CG ASN A 72 -17.183 -5.109 1.967 1.00 0.00 C ATOM 1010 OD1 ASN A 72 -17.323 -5.404 3.146 1.00 0.00 O ATOM 1011 ND2 ASN A 72 -17.839 -5.765 1.029 1.00 0.00 N ATOM 0 H ASN A 72 -14.605 -4.243 -0.680 1.00 0.00 H new ATOM 0 HA ASN A 72 -17.465 -3.592 -0.167 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.204 -4.381 1.635 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -16.328 -3.169 2.218 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -18.469 -6.525 1.284 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.716 -5.512 0.049 1.00 0.00 H new ATOM 1018 N ARG A 73 -15.102 -1.679 -0.857 1.00 0.00 N ATOM 1019 CA ARG A 73 -14.411 -0.400 -0.870 1.00 0.00 C ATOM 1020 C ARG A 73 -13.908 -0.023 0.522 1.00 0.00 C ATOM 1021 O ARG A 73 -14.089 -0.739 1.503 1.00 0.00 O ATOM 1022 CB ARG A 73 -15.272 0.726 -1.473 1.00 0.00 C ATOM 1023 CG ARG A 73 -16.319 0.320 -2.514 1.00 0.00 C ATOM 1024 CD ARG A 73 -16.534 1.424 -3.556 1.00 0.00 C ATOM 1025 NE ARG A 73 -17.759 1.175 -4.319 1.00 0.00 N ATOM 1026 CZ ARG A 73 -18.044 1.571 -5.563 1.00 0.00 C ATOM 1027 NH1 ARG A 73 -17.167 2.247 -6.300 1.00 0.00 N ATOM 1028 NH2 ARG A 73 -19.233 1.290 -6.073 1.00 0.00 N ATOM 0 H ARG A 73 -14.737 -2.328 -1.554 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.544 -0.521 -1.520 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -15.785 1.234 -0.657 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.604 1.455 -1.931 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -16.001 -0.596 -3.013 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -17.263 0.100 -2.015 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.597 2.393 -3.061 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.680 1.467 -4.232 1.00 0.00 H new ATOM 0 HE ARG A 73 -18.482 0.634 -3.844 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.249 2.476 -5.918 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.412 2.536 -7.247 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.918 0.777 -5.518 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.464 1.586 -7.021 1.00 0.00 H new ATOM 1042 N TYR A 74 -13.237 1.117 0.584 1.00 0.00 N ATOM 1043 CA TYR A 74 -12.918 1.770 1.840 1.00 0.00 C ATOM 1044 C TYR A 74 -12.814 3.263 1.595 1.00 0.00 C ATOM 1045 O TYR A 74 -12.485 3.692 0.485 1.00 0.00 O ATOM 1046 CB TYR A 74 -11.636 1.216 2.490 1.00 0.00 C ATOM 1047 CG TYR A 74 -10.321 1.456 1.763 1.00 0.00 C ATOM 1048 CD1 TYR A 74 -10.137 0.929 0.469 1.00 0.00 C ATOM 1049 CD2 TYR A 74 -9.261 2.147 2.392 1.00 0.00 C ATOM 1050 CE1 TYR A 74 -8.923 1.089 -0.211 1.00 0.00 C ATOM 1051 CE2 TYR A 74 -8.045 2.328 1.702 1.00 0.00 C ATOM 1052 CZ TYR A 74 -7.869 1.785 0.407 1.00 0.00 C ATOM 1053 OH TYR A 74 -6.671 1.875 -0.219 1.00 0.00 O ATOM 0 H TYR A 74 -12.898 1.615 -0.239 1.00 0.00 H new ATOM 0 HA TYR A 74 -13.718 1.565 2.551 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -11.552 1.646 3.488 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -11.760 0.140 2.615 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.945 0.393 -0.006 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -9.381 2.533 3.393 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.797 0.681 -1.203 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.243 2.884 2.164 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.060 1.200 0.145 1.00 0.00 H new ATOM 1063 N MET A 75 -13.072 4.050 2.627 1.00 0.00 N ATOM 1064 CA MET A 75 -12.853 5.485 2.701 1.00 0.00 C ATOM 1065 C MET A 75 -12.448 5.806 4.137 1.00 0.00 C ATOM 1066 O MET A 75 -12.715 5.007 5.039 1.00 0.00 O ATOM 1067 CB MET A 75 -14.129 6.245 2.286 1.00 0.00 C ATOM 1068 CG MET A 75 -15.386 5.883 3.100 1.00 0.00 C ATOM 1069 SD MET A 75 -16.853 5.402 2.141 1.00 0.00 S ATOM 1070 CE MET A 75 -16.280 3.870 1.364 1.00 0.00 C ATOM 0 H MET A 75 -13.466 3.679 3.492 1.00 0.00 H new ATOM 0 HA MET A 75 -12.066 5.799 2.015 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.946 7.315 2.382 1.00 0.00 H new ATOM 0 HB3 MET A 75 -14.326 6.049 1.232 1.00 0.00 H new ATOM 0 HG2 MET A 75 -15.134 5.064 3.774 1.00 0.00 H new ATOM 0 HG3 MET A 75 -15.649 6.738 3.722 1.00 0.00 H new ATOM 0 HE1 MET A 75 -17.136 3.233 1.142 1.00 0.00 H new ATOM 0 HE2 MET A 75 -15.753 4.106 0.439 1.00 0.00 H new ATOM 0 HE3 MET A 75 -15.605 3.348 2.043 1.00 0.00 H new ATOM 1080 N GLY A 76 -11.836 6.966 4.358 1.00 0.00 N ATOM 1081 CA GLY A 76 -11.548 7.500 5.683 1.00 0.00 C ATOM 1082 C GLY A 76 -10.325 8.407 5.638 1.00 0.00 C ATOM 1083 O GLY A 76 -9.570 8.399 4.665 1.00 0.00 O ATOM 0 H GLY A 76 -11.520 7.574 3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.409 8.058 6.052 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.376 6.682 6.382 1.00 0.00 H new ATOM 1087 N SER A 77 -10.151 9.218 6.675 1.00 0.00 N ATOM 1088 CA SER A 77 -9.164 10.294 6.712 1.00 0.00 C ATOM 1089 C SER A 77 -7.736 9.739 6.776 1.00 0.00 C ATOM 1090 O SER A 77 -7.525 8.590 7.175 1.00 0.00 O ATOM 1091 CB SER A 77 -9.432 11.155 7.943 1.00 0.00 C ATOM 1092 OG SER A 77 -10.771 11.603 7.947 1.00 0.00 O ATOM 0 H SER A 77 -10.702 9.146 7.531 1.00 0.00 H new ATOM 0 HA SER A 77 -9.252 10.886 5.801 1.00 0.00 H new ATOM 0 HB2 SER A 77 -9.231 10.581 8.847 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.756 12.010 7.951 1.00 0.00 H new ATOM 0 HG SER A 77 -10.930 12.153 8.743 1.00 0.00 H new ATOM 1098 N TYR A 78 -6.742 10.581 6.485 1.00 0.00 N ATOM 1099 CA TYR A 78 -5.326 10.252 6.660 1.00 0.00 C ATOM 1100 C TYR A 78 -4.544 11.426 7.257 1.00 0.00 C ATOM 1101 O TYR A 78 -5.084 12.511 7.477 1.00 0.00 O ATOM 1102 CB TYR A 78 -4.729 9.721 5.347 1.00 0.00 C ATOM 1103 CG TYR A 78 -4.640 10.747 4.240 1.00 0.00 C ATOM 1104 CD1 TYR A 78 -3.536 11.615 4.182 1.00 0.00 C ATOM 1105 CD2 TYR A 78 -5.661 10.844 3.277 1.00 0.00 C ATOM 1106 CE1 TYR A 78 -3.485 12.618 3.205 1.00 0.00 C ATOM 1107 CE2 TYR A 78 -5.621 11.852 2.297 1.00 0.00 C ATOM 1108 CZ TYR A 78 -4.546 12.765 2.283 1.00 0.00 C ATOM 1109 OH TYR A 78 -4.564 13.842 1.457 1.00 0.00 O ATOM 0 H TYR A 78 -6.899 11.519 6.118 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.241 9.446 7.389 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.730 9.333 5.547 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.333 8.882 5.001 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.727 11.509 4.890 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.480 10.140 3.290 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.633 13.280 3.156 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.408 11.926 1.561 1.00 0.00 H new ATOM 0 HH TYR A 78 -4.427 13.547 0.532 1.00 0.00 H new ATOM 1119 N ALA A 79 -3.283 11.180 7.612 1.00 0.00 N ATOM 1120 CA ALA A 79 -2.350 12.147 8.169 1.00 0.00 C ATOM 1121 C ALA A 79 -0.938 11.740 7.746 1.00 0.00 C ATOM 1122 O ALA A 79 -0.654 10.548 7.600 1.00 0.00 O ATOM 1123 CB ALA A 79 -2.458 12.132 9.700 1.00 0.00 C ATOM 0 H ALA A 79 -2.868 10.253 7.512 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.576 13.151 7.808 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.760 12.856 10.121 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.474 12.393 9.996 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.217 11.136 10.072 1.00 0.00 H new ATOM 1129 N LEU A 80 -0.040 12.718 7.602 1.00 0.00 N ATOM 1130 CA LEU A 80 1.334 12.484 7.167 1.00 0.00 C ATOM 1131 C LEU A 80 2.271 12.910 8.281 1.00 0.00 C ATOM 1132 O LEU A 80 2.243 14.076 8.685 1.00 0.00 O ATOM 1133 CB LEU A 80 1.644 13.231 5.857 1.00 0.00 C ATOM 1134 CG LEU A 80 0.699 12.889 4.690 1.00 0.00 C ATOM 1135 CD1 LEU A 80 1.004 13.787 3.490 1.00 0.00 C ATOM 1136 CD2 LEU A 80 0.816 11.414 4.296 1.00 0.00 C ATOM 0 H LEU A 80 -0.250 13.699 7.786 1.00 0.00 H new ATOM 0 HA LEU A 80 1.474 11.423 6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.596 14.304 6.045 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.667 13.005 5.558 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.325 13.067 5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.331 13.538 2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.863 14.831 3.771 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.035 13.633 3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.137 11.203 3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.839 11.200 3.988 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.555 10.788 5.149 1.00 0.00 H new ATOM 1148 N LYS A 81 3.041 11.968 8.831 1.00 0.00 N ATOM 1149 CA LYS A 81 3.973 12.193 9.934 1.00 0.00 C ATOM 1150 C LYS A 81 4.933 11.014 10.030 1.00 0.00 C ATOM 1151 O LYS A 81 4.687 9.985 9.413 1.00 0.00 O ATOM 1152 CB LYS A 81 3.178 12.403 11.230 1.00 0.00 C ATOM 1153 CG LYS A 81 2.282 11.224 11.656 1.00 0.00 C ATOM 1154 CD LYS A 81 0.912 11.701 12.157 1.00 0.00 C ATOM 1155 CE LYS A 81 1.059 12.660 13.344 1.00 0.00 C ATOM 1156 NZ LYS A 81 -0.245 13.141 13.835 1.00 0.00 N ATOM 0 H LYS A 81 3.031 11.000 8.510 1.00 0.00 H new ATOM 0 HA LYS A 81 4.569 13.089 9.761 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.880 12.613 12.037 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.553 13.288 11.113 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.145 10.548 10.812 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.779 10.656 12.442 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.379 12.199 11.347 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.311 10.841 12.453 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.587 12.156 14.153 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.671 13.512 13.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.097 13.786 14.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.739 13.645 13.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.820 12.331 14.143 1.00 0.00 H new ATOM 1170 N ASP A 82 5.999 11.138 10.816 1.00 0.00 N ATOM 1171 CA ASP A 82 6.960 10.080 11.161 1.00 0.00 C ATOM 1172 C ASP A 82 7.507 9.245 9.991 1.00 0.00 C ATOM 1173 O ASP A 82 7.966 8.117 10.170 1.00 0.00 O ATOM 1174 CB ASP A 82 6.386 9.207 12.286 1.00 0.00 C ATOM 1175 CG ASP A 82 7.460 8.367 12.983 1.00 0.00 C ATOM 1176 OD1 ASP A 82 8.632 8.815 13.053 1.00 0.00 O ATOM 1177 OD2 ASP A 82 7.085 7.333 13.581 1.00 0.00 O ATOM 0 H ASP A 82 6.234 12.027 11.257 1.00 0.00 H new ATOM 0 HA ASP A 82 7.852 10.600 11.510 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.894 9.844 13.021 1.00 0.00 H new ATOM 0 HB3 ASP A 82 5.623 8.546 11.875 1.00 0.00 H new ATOM 1182 N GLY A 83 7.490 9.774 8.765 1.00 0.00 N ATOM 1183 CA GLY A 83 7.911 9.007 7.600 1.00 0.00 C ATOM 1184 C GLY A 83 6.907 7.926 7.197 1.00 0.00 C ATOM 1185 O GLY A 83 7.292 7.047 6.429 1.00 0.00 O ATOM 0 H GLY A 83 7.190 10.727 8.558 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.061 9.686 6.761 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.874 8.540 7.808 1.00 0.00 H new ATOM 1189 N LYS A 84 5.670 7.928 7.720 1.00 0.00 N ATOM 1190 CA LYS A 84 4.689 6.869 7.468 1.00 0.00 C ATOM 1191 C LYS A 84 3.272 7.422 7.304 1.00 0.00 C ATOM 1192 O LYS A 84 2.879 8.401 7.943 1.00 0.00 O ATOM 1193 CB LYS A 84 4.808 5.797 8.565 1.00 0.00 C ATOM 1194 CG LYS A 84 4.237 6.216 9.931 1.00 0.00 C ATOM 1195 CD LYS A 84 4.988 5.504 11.065 1.00 0.00 C ATOM 1196 CE LYS A 84 4.387 5.703 12.462 1.00 0.00 C ATOM 1197 NZ LYS A 84 5.283 5.209 13.541 1.00 0.00 N ATOM 0 H LYS A 84 5.325 8.668 8.331 1.00 0.00 H new ATOM 0 HA LYS A 84 4.909 6.393 6.512 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.294 4.895 8.232 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.859 5.537 8.689 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.321 7.296 10.052 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.176 5.972 9.979 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.018 4.436 10.847 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.019 5.856 11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.183 6.762 12.619 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.431 5.182 12.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.786 5.256 14.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.553 4.224 13.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.137 5.801 13.581 1.00 0.00 H new ATOM 1211 N LEU A 85 2.515 6.855 6.374 1.00 0.00 N ATOM 1212 CA LEU A 85 1.141 7.236 6.036 1.00 0.00 C ATOM 1213 C LEU A 85 0.193 6.563 7.017 1.00 0.00 C ATOM 1214 O LEU A 85 -0.036 5.365 6.893 1.00 0.00 O ATOM 1215 CB LEU A 85 0.824 6.835 4.581 1.00 0.00 C ATOM 1216 CG LEU A 85 -0.665 6.868 4.187 1.00 0.00 C ATOM 1217 CD1 LEU A 85 -1.315 8.217 4.495 1.00 0.00 C ATOM 1218 CD2 LEU A 85 -0.805 6.566 2.690 1.00 0.00 C ATOM 0 H LEU A 85 2.854 6.079 5.805 1.00 0.00 H new ATOM 0 HA LEU A 85 1.019 8.316 6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.372 7.499 3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.204 5.828 4.411 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.178 6.110 4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.364 8.191 4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.244 8.420 5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.801 9.003 3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.858 6.589 2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.261 7.315 2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.395 5.578 2.478 1.00 0.00 H new ATOM 1230 N SER A 86 -0.358 7.313 7.970 1.00 0.00 N ATOM 1231 CA SER A 86 -1.331 6.788 8.918 1.00 0.00 C ATOM 1232 C SER A 86 -2.717 7.320 8.573 1.00 0.00 C ATOM 1233 O SER A 86 -2.872 8.350 7.908 1.00 0.00 O ATOM 1234 CB SER A 86 -0.932 7.132 10.356 1.00 0.00 C ATOM 1235 OG SER A 86 0.263 6.462 10.722 1.00 0.00 O ATOM 0 H SER A 86 -0.141 8.301 8.104 1.00 0.00 H new ATOM 0 HA SER A 86 -1.353 5.701 8.846 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.794 8.209 10.452 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.735 6.851 11.038 1.00 0.00 H new ATOM 0 HG SER A 86 0.501 6.697 11.643 1.00 0.00 H new ATOM 1241 N PHE A 87 -3.733 6.614 9.052 1.00 0.00 N ATOM 1242 CA PHE A 87 -5.115 6.770 8.638 1.00 0.00 C ATOM 1243 C PHE A 87 -5.972 7.266 9.809 1.00 0.00 C ATOM 1244 O PHE A 87 -5.433 7.831 10.766 1.00 0.00 O ATOM 1245 CB PHE A 87 -5.561 5.472 7.967 1.00 0.00 C ATOM 1246 CG PHE A 87 -4.950 5.283 6.584 1.00 0.00 C ATOM 1247 CD1 PHE A 87 -5.534 5.914 5.466 1.00 0.00 C ATOM 1248 CD2 PHE A 87 -3.767 4.536 6.414 1.00 0.00 C ATOM 1249 CE1 PHE A 87 -4.978 5.751 4.185 1.00 0.00 C ATOM 1250 CE2 PHE A 87 -3.194 4.401 5.134 1.00 0.00 C ATOM 1251 CZ PHE A 87 -3.818 4.982 4.014 1.00 0.00 C ATOM 0 H PHE A 87 -3.610 5.893 9.763 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.240 7.550 7.887 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.286 4.628 8.599 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.648 5.466 7.883 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.414 6.526 5.595 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.299 4.066 7.266 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.445 6.219 3.331 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.273 3.850 5.012 1.00 0.00 H new ATOM 0 HZ PHE A 87 -3.405 4.836 3.027 1.00 0.00 H new ATOM 1261 N GLY A 88 -7.301 7.202 9.716 1.00 0.00 N ATOM 1262 CA GLY A 88 -8.224 7.671 10.744 1.00 0.00 C ATOM 1263 C GLY A 88 -8.957 6.492 11.365 1.00 0.00 C ATOM 1264 O GLY A 88 -8.514 5.951 12.379 1.00 0.00 O ATOM 0 H GLY A 88 -7.775 6.812 8.901 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.677 8.216 11.514 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.941 8.367 10.310 1.00 0.00 H new ATOM 1268 N THR A 89 -10.079 6.116 10.750 1.00 0.00 N ATOM 1269 CA THR A 89 -10.942 5.021 11.163 1.00 0.00 C ATOM 1270 C THR A 89 -11.673 4.563 9.895 1.00 0.00 C ATOM 1271 O THR A 89 -12.862 4.849 9.724 1.00 0.00 O ATOM 1272 CB THR A 89 -11.933 5.517 12.247 1.00 0.00 C ATOM 1273 OG1 THR A 89 -11.317 6.330 13.230 1.00 0.00 O ATOM 1274 CG2 THR A 89 -12.679 4.374 12.940 1.00 0.00 C ATOM 0 H THR A 89 -10.421 6.590 9.914 1.00 0.00 H new ATOM 0 HA THR A 89 -10.384 4.194 11.602 1.00 0.00 H new ATOM 0 HB THR A 89 -12.654 6.122 11.697 1.00 0.00 H new ATOM 0 HG1 THR A 89 -11.987 6.615 13.886 1.00 0.00 H new ATOM 0 HG21 THR A 89 -13.358 4.783 13.688 1.00 0.00 H new ATOM 0 HG22 THR A 89 -13.250 3.811 12.201 1.00 0.00 H new ATOM 0 HG23 THR A 89 -11.961 3.712 13.425 1.00 0.00 H new ATOM 1282 N LEU A 90 -10.968 3.947 8.936 1.00 0.00 N ATOM 1283 CA LEU A 90 -11.538 3.613 7.660 1.00 0.00 C ATOM 1284 C LEU A 90 -12.702 2.638 7.779 1.00 0.00 C ATOM 1285 O LEU A 90 -12.824 1.916 8.774 1.00 0.00 O ATOM 1286 CB LEU A 90 -10.435 2.917 6.873 1.00 0.00 C ATOM 1287 CG LEU A 90 -9.096 3.640 6.821 1.00 0.00 C ATOM 1288 CD1 LEU A 90 -9.163 5.149 6.599 1.00 0.00 C ATOM 1289 CD2 LEU A 90 -8.145 3.157 7.892 1.00 0.00 C ATOM 0 H LEU A 90 -9.991 3.674 9.040 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.913 4.521 7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.276 1.929 7.305 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.784 2.766 5.852 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.634 3.335 5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.153 5.559 6.579 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.657 5.356 5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.727 5.611 7.409 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.204 3.701 7.815 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.585 3.330 8.874 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.959 2.091 7.760 1.00 0.00 H new ATOM 1301 N GLY A 91 -13.483 2.529 6.713 1.00 0.00 N ATOM 1302 CA GLY A 91 -14.493 1.500 6.555 1.00 0.00 C ATOM 1303 C GLY A 91 -15.156 1.627 5.193 1.00 0.00 C ATOM 1304 O GLY A 91 -14.785 2.504 4.407 1.00 0.00 O ATOM 0 H GLY A 91 -13.428 3.168 5.920 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.039 0.514 6.657 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.241 1.589 7.343 1.00 0.00 H new ATOM 1308 N GLY A 92 -16.111 0.752 4.891 1.00 0.00 N ATOM 1309 CA GLY A 92 -16.717 0.615 3.576 1.00 0.00 C ATOM 1310 C GLY A 92 -18.197 0.254 3.673 1.00 0.00 C ATOM 1311 O GLY A 92 -18.859 0.558 4.668 1.00 0.00 O ATOM 0 H GLY A 92 -16.494 0.101 5.577 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -16.605 1.548 3.024 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -16.191 -0.154 3.011 1.00 0.00 H new ATOM 1315 N THR A 93 -18.732 -0.323 2.600 1.00 0.00 N ATOM 1316 CA THR A 93 -20.035 -0.993 2.595 1.00 0.00 C ATOM 1317 C THR A 93 -19.816 -2.461 2.990 1.00 0.00 C ATOM 1318 O THR A 93 -18.669 -2.853 3.171 1.00 0.00 O ATOM 1319 CB THR A 93 -20.679 -0.844 1.206 1.00 0.00 C ATOM 1320 OG1 THR A 93 -19.837 -1.348 0.181 1.00 0.00 O ATOM 1321 CG2 THR A 93 -20.994 0.623 0.903 1.00 0.00 C ATOM 0 H THR A 93 -18.266 -0.340 1.693 1.00 0.00 H new ATOM 0 HA THR A 93 -20.721 -0.544 3.313 1.00 0.00 H new ATOM 0 HB THR A 93 -21.602 -1.424 1.226 1.00 0.00 H new ATOM 0 HG1 THR A 93 -19.496 -0.604 -0.358 1.00 0.00 H new ATOM 0 HG21 THR A 93 -21.448 0.701 -0.085 1.00 0.00 H new ATOM 0 HG22 THR A 93 -21.685 1.009 1.652 1.00 0.00 H new ATOM 0 HG23 THR A 93 -20.073 1.205 0.925 1.00 0.00 H new ATOM 1329 N ARG A 94 -20.859 -3.300 3.083 1.00 0.00 N ATOM 1330 CA ARG A 94 -20.695 -4.743 3.326 1.00 0.00 C ATOM 1331 C ARG A 94 -21.463 -5.553 2.294 1.00 0.00 C ATOM 1332 O ARG A 94 -22.351 -6.349 2.612 1.00 0.00 O ATOM 1333 CB ARG A 94 -20.985 -5.138 4.783 1.00 0.00 C ATOM 1334 CG ARG A 94 -19.973 -4.549 5.786 1.00 0.00 C ATOM 1335 CD ARG A 94 -19.605 -5.518 6.918 1.00 0.00 C ATOM 1336 NE ARG A 94 -20.763 -5.968 7.713 1.00 0.00 N ATOM 1337 CZ ARG A 94 -20.848 -7.120 8.394 1.00 0.00 C ATOM 1338 NH1 ARG A 94 -19.837 -7.985 8.416 1.00 0.00 N ATOM 1339 NH2 ARG A 94 -21.958 -7.415 9.062 1.00 0.00 N ATOM 0 H ARG A 94 -21.830 -3.002 2.993 1.00 0.00 H new ATOM 0 HA ARG A 94 -19.642 -4.992 3.190 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -21.988 -4.804 5.050 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -20.978 -6.225 4.866 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -19.066 -4.264 5.252 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -20.388 -3.638 6.218 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -19.108 -6.389 6.491 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -18.887 -5.034 7.580 1.00 0.00 H new ATOM 0 HE ARG A 94 -21.572 -5.347 7.748 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -18.977 -7.777 7.909 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.922 -8.856 8.940 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -22.744 -6.765 9.056 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -22.024 -8.291 9.580 1.00 0.00 H new ATOM 1353 N MET A 95 -21.097 -5.330 1.037 1.00 0.00 N ATOM 1354 CA MET A 95 -21.385 -6.223 -0.075 1.00 0.00 C ATOM 1355 C MET A 95 -20.769 -7.593 0.199 1.00 0.00 C ATOM 1356 O MET A 95 -19.829 -7.708 0.990 1.00 0.00 O ATOM 1357 CB MET A 95 -20.725 -5.639 -1.329 1.00 0.00 C ATOM 1358 CG MET A 95 -21.237 -4.256 -1.725 1.00 0.00 C ATOM 1359 SD MET A 95 -20.559 -3.696 -3.315 1.00 0.00 S ATOM 1360 CE MET A 95 -19.277 -2.538 -2.766 1.00 0.00 C ATOM 0 H MET A 95 -20.577 -4.498 0.757 1.00 0.00 H new ATOM 0 HA MET A 95 -22.462 -6.325 -0.206 1.00 0.00 H new ATOM 0 HB2 MET A 95 -19.649 -5.582 -1.165 1.00 0.00 H new ATOM 0 HB3 MET A 95 -20.885 -6.324 -2.161 1.00 0.00 H new ATOM 0 HG2 MET A 95 -22.325 -4.278 -1.784 1.00 0.00 H new ATOM 0 HG3 MET A 95 -20.974 -3.538 -0.948 1.00 0.00 H new ATOM 0 HE1 MET A 95 -18.434 -2.575 -3.455 1.00 0.00 H new ATOM 0 HE2 MET A 95 -19.684 -1.527 -2.745 1.00 0.00 H new ATOM 0 HE3 MET A 95 -18.941 -2.814 -1.767 1.00 0.00 H new ATOM 1370 N ALA A 96 -21.188 -8.603 -0.556 1.00 0.00 N ATOM 1371 CA ALA A 96 -20.514 -9.891 -0.624 1.00 0.00 C ATOM 1372 C ALA A 96 -19.865 -10.026 -1.998 1.00 0.00 C ATOM 1373 O ALA A 96 -20.351 -9.438 -2.970 1.00 0.00 O ATOM 1374 CB ALA A 96 -21.541 -10.993 -0.397 1.00 0.00 C ATOM 0 H ALA A 96 -22.018 -8.547 -1.146 1.00 0.00 H new ATOM 0 HA ALA A 96 -19.742 -9.970 0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -21.049 -11.964 -0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -21.999 -10.867 0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -22.311 -10.937 -1.167 1.00 0.00 H new ATOM 1380 N CYS A 97 -18.796 -10.811 -2.099 1.00 0.00 N ATOM 1381 CA CYS A 97 -18.207 -11.212 -3.369 1.00 0.00 C ATOM 1382 C CYS A 97 -17.902 -12.699 -3.346 1.00 0.00 C ATOM 1383 O CYS A 97 -17.706 -13.284 -2.278 1.00 0.00 O ATOM 1384 CB CYS A 97 -16.914 -10.450 -3.676 1.00 0.00 C ATOM 1385 SG CYS A 97 -17.058 -9.273 -5.013 1.00 0.00 S ATOM 0 H CYS A 97 -18.309 -11.191 -1.287 1.00 0.00 H new ATOM 0 HA CYS A 97 -18.933 -10.978 -4.148 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -16.593 -9.924 -2.777 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -16.132 -11.168 -3.922 1.00 0.00 H new ATOM 1390 N MET A 98 -17.763 -13.286 -4.532 1.00 0.00 N ATOM 1391 CA MET A 98 -17.411 -14.691 -4.732 1.00 0.00 C ATOM 1392 C MET A 98 -16.011 -14.819 -5.338 1.00 0.00 C ATOM 1393 O MET A 98 -15.646 -15.837 -5.925 1.00 0.00 O ATOM 1394 CB MET A 98 -18.495 -15.393 -5.572 1.00 0.00 C ATOM 1395 CG MET A 98 -19.934 -14.995 -5.191 1.00 0.00 C ATOM 1396 SD MET A 98 -21.079 -16.363 -4.934 1.00 0.00 S ATOM 1397 CE MET A 98 -20.532 -16.820 -3.270 1.00 0.00 C ATOM 0 H MET A 98 -17.896 -12.782 -5.409 1.00 0.00 H new ATOM 0 HA MET A 98 -17.375 -15.197 -3.767 1.00 0.00 H new ATOM 0 HB2 MET A 98 -18.331 -15.163 -6.625 1.00 0.00 H new ATOM 0 HB3 MET A 98 -18.385 -16.472 -5.461 1.00 0.00 H new ATOM 0 HG2 MET A 98 -19.898 -14.399 -4.279 1.00 0.00 H new ATOM 0 HG3 MET A 98 -20.334 -14.353 -5.976 1.00 0.00 H new ATOM 0 HE1 MET A 98 -21.121 -17.664 -2.912 1.00 0.00 H new ATOM 0 HE2 MET A 98 -19.478 -17.098 -3.297 1.00 0.00 H new ATOM 0 HE3 MET A 98 -20.666 -15.973 -2.597 1.00 0.00 H new ATOM 1407 N THR A 99 -15.222 -13.761 -5.206 1.00 0.00 N ATOM 1408 CA THR A 99 -13.868 -13.634 -5.715 1.00 0.00 C ATOM 1409 C THR A 99 -12.892 -13.982 -4.574 1.00 0.00 C ATOM 1410 O THR A 99 -13.304 -14.029 -3.407 1.00 0.00 O ATOM 1411 CB THR A 99 -13.694 -12.209 -6.285 1.00 0.00 C ATOM 1412 OG1 THR A 99 -13.912 -11.234 -5.290 1.00 0.00 O ATOM 1413 CG2 THR A 99 -14.703 -11.916 -7.404 1.00 0.00 C ATOM 0 H THR A 99 -15.530 -12.923 -4.713 1.00 0.00 H new ATOM 0 HA THR A 99 -13.657 -14.324 -6.532 1.00 0.00 H new ATOM 0 HB THR A 99 -12.674 -12.165 -6.666 1.00 0.00 H new ATOM 0 HG1 THR A 99 -13.794 -10.341 -5.676 1.00 0.00 H new ATOM 0 HG21 THR A 99 -14.548 -10.904 -7.778 1.00 0.00 H new ATOM 0 HG22 THR A 99 -14.562 -12.629 -8.216 1.00 0.00 H new ATOM 0 HG23 THR A 99 -15.716 -12.007 -7.013 1.00 0.00 H new ATOM 1421 N PRO A 100 -11.605 -14.233 -4.852 1.00 0.00 N ATOM 1422 CA PRO A 100 -10.577 -14.261 -3.819 1.00 0.00 C ATOM 1423 C PRO A 100 -10.270 -12.834 -3.363 1.00 0.00 C ATOM 1424 O PRO A 100 -10.199 -12.559 -2.163 1.00 0.00 O ATOM 1425 CB PRO A 100 -9.381 -14.957 -4.466 1.00 0.00 C ATOM 1426 CG PRO A 100 -9.547 -14.695 -5.960 1.00 0.00 C ATOM 1427 CD PRO A 100 -11.047 -14.511 -6.164 1.00 0.00 C ATOM 0 HA PRO A 100 -10.878 -14.797 -2.919 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -8.439 -14.554 -4.095 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -9.378 -16.025 -4.248 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.995 -13.807 -6.269 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -9.167 -15.528 -6.551 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.248 -13.691 -6.854 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.494 -15.407 -6.595 1.00 0.00 H new ATOM 1435 N GLY A 101 -10.184 -11.907 -4.318 1.00 0.00 N ATOM 1436 CA GLY A 101 -9.818 -10.525 -4.092 1.00 0.00 C ATOM 1437 C GLY A 101 -10.959 -9.695 -3.537 1.00 0.00 C ATOM 1438 O GLY A 101 -10.829 -8.478 -3.503 1.00 0.00 O ATOM 0 H GLY A 101 -10.375 -12.113 -5.299 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -8.977 -10.486 -3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.479 -10.086 -5.030 1.00 0.00 H new ATOM 1442 N GLY A 102 -12.096 -10.287 -3.174 1.00 0.00 N ATOM 1443 CA GLY A 102 -13.152 -9.596 -2.460 1.00 0.00 C ATOM 1444 C GLY A 102 -12.881 -9.727 -0.974 1.00 0.00 C ATOM 1445 O GLY A 102 -12.717 -8.711 -0.300 1.00 0.00 O ATOM 0 H GLY A 102 -12.305 -11.266 -3.371 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.183 -8.546 -2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.123 -10.024 -2.709 1.00 0.00 H new ATOM 1449 N GLN A 103 -12.751 -10.972 -0.499 1.00 0.00 N ATOM 1450 CA GLN A 103 -12.604 -11.291 0.918 1.00 0.00 C ATOM 1451 C GLN A 103 -11.357 -10.654 1.535 1.00 0.00 C ATOM 1452 O GLN A 103 -11.346 -10.393 2.741 1.00 0.00 O ATOM 1453 CB GLN A 103 -12.556 -12.810 1.132 1.00 0.00 C ATOM 1454 CG GLN A 103 -13.922 -13.483 0.946 1.00 0.00 C ATOM 1455 CD GLN A 103 -13.934 -14.881 1.559 1.00 0.00 C ATOM 1456 OE1 GLN A 103 -13.132 -15.740 1.202 1.00 0.00 O ATOM 1457 NE2 GLN A 103 -14.818 -15.154 2.501 1.00 0.00 N ATOM 0 H GLN A 103 -12.745 -11.795 -1.101 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.478 -10.875 1.420 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -11.843 -13.248 0.433 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -12.188 -13.019 2.136 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.698 -12.873 1.409 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -14.158 -13.546 -0.116 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -15.484 -14.441 2.798 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -14.835 -16.078 2.932 1.00 0.00 H new ATOM 1466 N ILE A 104 -10.326 -10.403 0.722 1.00 0.00 N ATOM 1467 CA ILE A 104 -9.063 -9.831 1.174 1.00 0.00 C ATOM 1468 C ILE A 104 -9.233 -8.411 1.731 1.00 0.00 C ATOM 1469 O ILE A 104 -8.366 -7.953 2.473 1.00 0.00 O ATOM 1470 CB ILE A 104 -8.009 -9.912 0.049 1.00 0.00 C ATOM 1471 CG1 ILE A 104 -6.607 -9.748 0.675 1.00 0.00 C ATOM 1472 CG2 ILE A 104 -8.259 -8.885 -1.069 1.00 0.00 C ATOM 1473 CD1 ILE A 104 -5.453 -10.034 -0.278 1.00 0.00 C ATOM 0 H ILE A 104 -10.350 -10.595 -0.279 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.699 -10.426 2.011 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.083 -10.887 -0.432 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -6.508 -8.730 1.051 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -6.526 -10.414 1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -7.489 -8.985 -1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -9.238 -9.063 -1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -8.227 -7.878 -0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -4.507 -9.895 0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -5.522 -11.061 -0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -5.503 -9.351 -1.126 1.00 0.00 H new ATOM 1485 N GLU A 105 -10.339 -7.718 1.435 1.00 0.00 N ATOM 1486 CA GLU A 105 -10.627 -6.411 2.015 1.00 0.00 C ATOM 1487 C GLU A 105 -10.545 -6.475 3.541 1.00 0.00 C ATOM 1488 O GLU A 105 -9.983 -5.567 4.156 1.00 0.00 O ATOM 1489 CB GLU A 105 -11.993 -5.913 1.520 1.00 0.00 C ATOM 1490 CG GLU A 105 -12.678 -4.907 2.462 1.00 0.00 C ATOM 1491 CD GLU A 105 -13.588 -5.557 3.532 1.00 0.00 C ATOM 1492 OE1 GLU A 105 -14.033 -6.719 3.371 1.00 0.00 O ATOM 1493 OE2 GLU A 105 -13.895 -4.879 4.535 1.00 0.00 O ATOM 0 H GLU A 105 -11.054 -8.050 0.788 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.877 -5.690 1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -11.865 -5.449 0.542 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -12.651 -6.771 1.382 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.912 -4.316 2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.274 -4.216 1.866 1.00 0.00 H new ATOM 1500 N GLY A 106 -11.060 -7.552 4.136 1.00 0.00 N ATOM 1501 CA GLY A 106 -11.087 -7.723 5.576 1.00 0.00 C ATOM 1502 C GLY A 106 -9.679 -7.799 6.170 1.00 0.00 C ATOM 1503 O GLY A 106 -9.493 -7.405 7.323 1.00 0.00 O ATOM 0 H GLY A 106 -11.471 -8.331 3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -11.628 -6.892 6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.634 -8.633 5.823 1.00 0.00 H new ATOM 1507 N ALA A 107 -8.687 -8.273 5.400 1.00 0.00 N ATOM 1508 CA ALA A 107 -7.283 -8.217 5.785 1.00 0.00 C ATOM 1509 C ALA A 107 -6.719 -6.826 5.505 1.00 0.00 C ATOM 1510 O ALA A 107 -5.977 -6.283 6.320 1.00 0.00 O ATOM 1511 CB ALA A 107 -6.477 -9.254 4.993 1.00 0.00 C ATOM 0 H ALA A 107 -8.845 -8.706 4.490 1.00 0.00 H new ATOM 0 HA ALA A 107 -7.207 -8.434 6.850 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -5.429 -9.203 5.289 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -6.865 -10.251 5.200 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -6.564 -9.045 3.927 1.00 0.00 H new ATOM 1517 N TYR A 108 -7.010 -6.269 4.327 1.00 0.00 N ATOM 1518 CA TYR A 108 -6.404 -5.042 3.834 1.00 0.00 C ATOM 1519 C TYR A 108 -6.749 -3.858 4.734 1.00 0.00 C ATOM 1520 O TYR A 108 -5.850 -3.113 5.113 1.00 0.00 O ATOM 1521 CB TYR A 108 -6.827 -4.791 2.383 1.00 0.00 C ATOM 1522 CG TYR A 108 -6.215 -3.527 1.818 1.00 0.00 C ATOM 1523 CD1 TYR A 108 -4.917 -3.546 1.270 1.00 0.00 C ATOM 1524 CD2 TYR A 108 -6.906 -2.307 1.942 1.00 0.00 C ATOM 1525 CE1 TYR A 108 -4.318 -2.355 0.825 1.00 0.00 C ATOM 1526 CE2 TYR A 108 -6.302 -1.113 1.525 1.00 0.00 C ATOM 1527 CZ TYR A 108 -5.008 -1.130 0.961 1.00 0.00 C ATOM 1528 OH TYR A 108 -4.431 0.038 0.575 1.00 0.00 O ATOM 0 H TYR A 108 -7.688 -6.671 3.680 1.00 0.00 H new ATOM 0 HA TYR A 108 -5.320 -5.155 3.856 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -6.532 -5.641 1.768 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -7.913 -4.721 2.330 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -4.380 -4.480 1.192 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -7.902 -2.291 2.359 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.334 -2.376 0.381 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -6.828 -0.177 1.636 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.511 -0.132 0.283 1.00 0.00 H new ATOM 1538 N LEU A 109 -8.023 -3.698 5.117 1.00 0.00 N ATOM 1539 CA LEU A 109 -8.438 -2.672 6.075 1.00 0.00 C ATOM 1540 C LEU A 109 -7.609 -2.794 7.341 1.00 0.00 C ATOM 1541 O LEU A 109 -7.093 -1.803 7.850 1.00 0.00 O ATOM 1542 CB LEU A 109 -9.916 -2.838 6.466 1.00 0.00 C ATOM 1543 CG LEU A 109 -10.924 -2.227 5.480 1.00 0.00 C ATOM 1544 CD1 LEU A 109 -12.339 -2.452 6.012 1.00 0.00 C ATOM 1545 CD2 LEU A 109 -10.717 -0.714 5.319 1.00 0.00 C ATOM 0 H LEU A 109 -8.790 -4.275 4.771 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.294 -1.701 5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.131 -3.902 6.569 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.070 -2.385 7.446 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.776 -2.708 4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -13.061 -2.021 5.318 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -12.525 -3.521 6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -12.442 -1.974 6.986 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -11.449 -0.320 4.614 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -10.843 -0.225 6.285 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.712 -0.522 4.944 1.00 0.00 H new ATOM 1557 N ASN A 110 -7.484 -4.017 7.844 1.00 0.00 N ATOM 1558 CA ASN A 110 -6.774 -4.296 9.077 1.00 0.00 C ATOM 1559 C ASN A 110 -5.286 -3.997 8.951 1.00 0.00 C ATOM 1560 O ASN A 110 -4.650 -3.617 9.925 1.00 0.00 O ATOM 1561 CB ASN A 110 -6.954 -5.769 9.426 1.00 0.00 C ATOM 1562 CG ASN A 110 -7.011 -5.986 10.930 1.00 0.00 C ATOM 1563 OD1 ASN A 110 -7.915 -6.665 11.402 1.00 0.00 O ATOM 1564 ND2 ASN A 110 -6.124 -5.381 11.710 1.00 0.00 N ATOM 0 H ASN A 110 -7.878 -4.847 7.400 1.00 0.00 H new ATOM 0 HA ASN A 110 -7.184 -3.655 9.858 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -7.871 -6.142 8.969 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -6.130 -6.346 9.006 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -6.187 -5.477 12.724 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.379 -4.820 11.296 1.00 0.00 H new ATOM 1571 N ALA A 111 -4.721 -4.187 7.763 1.00 0.00 N ATOM 1572 CA ALA A 111 -3.340 -3.836 7.470 1.00 0.00 C ATOM 1573 C ALA A 111 -3.120 -2.319 7.549 1.00 0.00 C ATOM 1574 O ALA A 111 -2.009 -1.884 7.856 1.00 0.00 O ATOM 1575 CB ALA A 111 -2.950 -4.392 6.097 1.00 0.00 C ATOM 0 H ALA A 111 -5.216 -4.594 6.969 1.00 0.00 H new ATOM 0 HA ALA A 111 -2.694 -4.286 8.224 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -1.915 -4.129 5.878 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -3.055 -5.477 6.101 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.602 -3.967 5.334 1.00 0.00 H new ATOM 1581 N LEU A 112 -4.157 -1.499 7.323 1.00 0.00 N ATOM 1582 CA LEU A 112 -4.058 -0.046 7.474 1.00 0.00 C ATOM 1583 C LEU A 112 -3.893 0.375 8.937 1.00 0.00 C ATOM 1584 O LEU A 112 -3.562 1.536 9.184 1.00 0.00 O ATOM 1585 CB LEU A 112 -5.264 0.706 6.874 1.00 0.00 C ATOM 1586 CG LEU A 112 -5.556 0.430 5.390 1.00 0.00 C ATOM 1587 CD1 LEU A 112 -6.797 1.205 4.939 1.00 0.00 C ATOM 1588 CD2 LEU A 112 -4.376 0.813 4.494 1.00 0.00 C ATOM 0 H LEU A 112 -5.079 -1.824 7.033 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.164 0.231 6.915 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.152 0.450 7.453 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.099 1.776 6.999 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.728 -0.642 5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.991 1.000 3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.656 0.895 5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.628 2.273 5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.625 0.602 3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.163 1.876 4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.498 0.235 4.782 1.00 0.00 H new ATOM 1600 N THR A 113 -4.099 -0.527 9.907 1.00 0.00 N ATOM 1601 CA THR A 113 -3.950 -0.182 11.315 1.00 0.00 C ATOM 1602 C THR A 113 -2.528 -0.449 11.819 1.00 0.00 C ATOM 1603 O THR A 113 -2.202 -0.121 12.965 1.00 0.00 O ATOM 1604 CB THR A 113 -5.048 -0.829 12.183 1.00 0.00 C ATOM 1605 OG1 THR A 113 -4.833 -2.207 12.397 1.00 0.00 O ATOM 1606 CG2 THR A 113 -6.444 -0.661 11.573 1.00 0.00 C ATOM 0 H THR A 113 -4.368 -1.496 9.736 1.00 0.00 H new ATOM 0 HA THR A 113 -4.097 0.894 11.411 1.00 0.00 H new ATOM 0 HB THR A 113 -4.993 -0.302 13.136 1.00 0.00 H new ATOM 0 HG1 THR A 113 -4.775 -2.667 11.534 1.00 0.00 H new ATOM 0 HG21 THR A 113 -7.183 -1.133 12.220 1.00 0.00 H new ATOM 0 HG22 THR A 113 -6.673 0.400 11.475 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.470 -1.131 10.590 1.00 0.00 H new ATOM 1614 N HIS A 114 -1.654 -1.027 10.990 1.00 0.00 N ATOM 1615 CA HIS A 114 -0.274 -1.326 11.336 1.00 0.00 C ATOM 1616 C HIS A 114 0.626 -0.525 10.400 1.00 0.00 C ATOM 1617 O HIS A 114 1.248 -1.080 9.496 1.00 0.00 O ATOM 1618 CB HIS A 114 -0.011 -2.840 11.280 1.00 0.00 C ATOM 1619 CG HIS A 114 -0.725 -3.648 12.336 1.00 0.00 C ATOM 1620 ND1 HIS A 114 -0.186 -4.107 13.518 1.00 0.00 N ATOM 1621 CD2 HIS A 114 -2.010 -4.113 12.263 1.00 0.00 C ATOM 1622 CE1 HIS A 114 -1.119 -4.835 14.147 1.00 0.00 C ATOM 1623 NE2 HIS A 114 -2.251 -4.868 13.419 1.00 0.00 N ATOM 0 H HIS A 114 -1.899 -1.304 10.039 1.00 0.00 H new ATOM 0 HA HIS A 114 -0.056 -1.032 12.363 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -0.307 -3.210 10.298 1.00 0.00 H new ATOM 0 HB3 HIS A 114 1.061 -3.012 11.375 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -2.710 -3.931 11.461 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -0.983 -5.324 15.100 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -3.117 -5.349 13.662 1.00 0.00 H new ATOM 1631 N ILE A 115 0.690 0.793 10.582 1.00 0.00 N ATOM 1632 CA ILE A 115 1.626 1.627 9.849 1.00 0.00 C ATOM 1633 C ILE A 115 2.699 2.045 10.851 1.00 0.00 C ATOM 1634 O ILE A 115 2.630 3.138 11.419 1.00 0.00 O ATOM 1635 CB ILE A 115 0.952 2.849 9.184 1.00 0.00 C ATOM 1636 CG1 ILE A 115 -0.472 2.619 8.636 1.00 0.00 C ATOM 1637 CG2 ILE A 115 1.940 3.438 8.156 1.00 0.00 C ATOM 1638 CD1 ILE A 115 -0.642 1.628 7.488 1.00 0.00 C ATOM 0 H ILE A 115 0.098 1.304 11.237 1.00 0.00 H new ATOM 0 HA ILE A 115 2.056 1.069 9.017 1.00 0.00 H new ATOM 0 HB ILE A 115 0.750 3.584 9.963 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -1.099 2.284 9.463 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -0.864 3.582 8.308 1.00 0.00 H new ATOM 0 HG21 ILE A 115 1.488 4.303 7.671 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.855 3.743 8.664 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.176 2.684 7.405 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -1.694 1.571 7.210 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.057 1.961 6.630 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -0.296 0.644 7.803 1.00 0.00 H new ATOM 1650 N ASP A 116 3.697 1.188 11.079 1.00 0.00 N ATOM 1651 CA ASP A 116 4.888 1.647 11.799 1.00 0.00 C ATOM 1652 C ASP A 116 6.001 2.060 10.861 1.00 0.00 C ATOM 1653 O ASP A 116 6.811 2.930 11.180 1.00 0.00 O ATOM 1654 CB ASP A 116 5.464 0.612 12.753 1.00 0.00 C ATOM 1655 CG ASP A 116 6.381 1.346 13.751 1.00 0.00 C ATOM 1656 OD1 ASP A 116 6.092 2.514 14.116 1.00 0.00 O ATOM 1657 OD2 ASP A 116 7.420 0.813 14.189 1.00 0.00 O ATOM 0 H ASP A 116 3.709 0.210 10.789 1.00 0.00 H new ATOM 0 HA ASP A 116 4.530 2.502 12.373 1.00 0.00 H new ATOM 0 HB2 ASP A 116 4.664 0.093 13.281 1.00 0.00 H new ATOM 0 HB3 ASP A 116 6.026 -0.143 12.203 1.00 0.00 H new ATOM 1662 N ARG A 117 6.029 1.444 9.689 1.00 0.00 N ATOM 1663 CA ARG A 117 7.050 1.680 8.686 1.00 0.00 C ATOM 1664 C ARG A 117 6.411 1.948 7.338 1.00 0.00 C ATOM 1665 O ARG A 117 5.217 1.735 7.117 1.00 0.00 O ATOM 1666 CB ARG A 117 8.004 0.504 8.651 1.00 0.00 C ATOM 1667 CG ARG A 117 8.849 0.472 9.922 1.00 0.00 C ATOM 1668 CD ARG A 117 9.988 -0.499 9.673 1.00 0.00 C ATOM 1669 NE ARG A 117 11.191 0.177 9.166 1.00 0.00 N ATOM 1670 CZ ARG A 117 12.144 0.664 9.972 1.00 0.00 C ATOM 1671 NH1 ARG A 117 11.975 0.681 11.293 1.00 0.00 N ATOM 1672 NH2 ARG A 117 13.266 1.142 9.447 1.00 0.00 N ATOM 0 H ARG A 117 5.331 0.756 9.406 1.00 0.00 H new ATOM 0 HA ARG A 117 7.627 2.568 8.943 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.443 -0.426 8.555 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.651 0.577 7.777 1.00 0.00 H new ATOM 0 HG2 ARG A 117 9.233 1.465 10.155 1.00 0.00 H new ATOM 0 HG3 ARG A 117 8.250 0.153 10.775 1.00 0.00 H new ATOM 0 HD2 ARG A 117 10.229 -1.020 10.600 1.00 0.00 H new ATOM 0 HD3 ARG A 117 9.669 -1.255 8.956 1.00 0.00 H new ATOM 0 HE ARG A 117 11.305 0.280 8.158 1.00 0.00 H new ATOM 0 HH11 ARG A 117 11.113 0.321 11.702 1.00 0.00 H new ATOM 0 HH12 ARG A 117 12.708 1.054 11.896 1.00 0.00 H new ATOM 0 HH21 ARG A 117 13.398 1.137 8.436 1.00 0.00 H new ATOM 0 HH22 ARG A 117 13.995 1.514 10.055 1.00 0.00 H new ATOM 1686 N THR A 118 7.210 2.444 6.416 1.00 0.00 N ATOM 1687 CA THR A 118 6.839 2.831 5.076 1.00 0.00 C ATOM 1688 C THR A 118 8.151 2.919 4.294 1.00 0.00 C ATOM 1689 O THR A 118 9.245 2.876 4.865 1.00 0.00 O ATOM 1690 CB THR A 118 6.066 4.167 5.189 1.00 0.00 C ATOM 1691 OG1 THR A 118 4.756 3.937 5.678 1.00 0.00 O ATOM 1692 CG2 THR A 118 5.928 5.007 3.921 1.00 0.00 C ATOM 0 H THR A 118 8.202 2.597 6.598 1.00 0.00 H new ATOM 0 HA THR A 118 6.183 2.135 4.553 1.00 0.00 H new ATOM 0 HB THR A 118 6.693 4.745 5.868 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.672 3.003 5.962 1.00 0.00 H new ATOM 0 HG21 THR A 118 5.365 5.913 4.144 1.00 0.00 H new ATOM 0 HG22 THR A 118 6.918 5.276 3.553 1.00 0.00 H new ATOM 0 HG23 THR A 118 5.402 4.432 3.159 1.00 0.00 H new ATOM 1700 N GLY A 119 8.037 3.061 2.985 1.00 0.00 N ATOM 1701 CA GLY A 119 9.066 3.459 2.067 1.00 0.00 C ATOM 1702 C GLY A 119 8.343 4.167 0.937 1.00 0.00 C ATOM 1703 O GLY A 119 7.241 3.772 0.544 1.00 0.00 O ATOM 0 H GLY A 119 7.152 2.885 2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.787 4.120 2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.620 2.596 1.699 1.00 0.00 H new ATOM 1707 N VAL A 120 8.963 5.214 0.411 1.00 0.00 N ATOM 1708 CA VAL A 120 8.506 5.951 -0.751 1.00 0.00 C ATOM 1709 C VAL A 120 9.719 6.025 -1.665 1.00 0.00 C ATOM 1710 O VAL A 120 10.802 6.405 -1.227 1.00 0.00 O ATOM 1711 CB VAL A 120 8.077 7.363 -0.306 1.00 0.00 C ATOM 1712 CG1 VAL A 120 7.938 8.318 -1.504 1.00 0.00 C ATOM 1713 CG2 VAL A 120 6.802 7.324 0.549 1.00 0.00 C ATOM 0 H VAL A 120 9.830 5.585 0.799 1.00 0.00 H new ATOM 0 HA VAL A 120 7.655 5.486 -1.249 1.00 0.00 H new ATOM 0 HB VAL A 120 8.872 7.760 0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 120 7.634 9.303 -1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 120 8.895 8.397 -2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 120 7.186 7.932 -2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 120 6.531 8.338 0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 120 5.989 6.884 -0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 120 6.980 6.722 1.440 1.00 0.00 H new ATOM 1723 N GLN A 121 9.564 5.643 -2.923 1.00 0.00 N ATOM 1724 CA GLN A 121 10.645 5.547 -3.877 1.00 0.00 C ATOM 1725 C GLN A 121 10.477 6.699 -4.864 1.00 0.00 C ATOM 1726 O GLN A 121 9.792 6.558 -5.882 1.00 0.00 O ATOM 1727 CB GLN A 121 10.587 4.143 -4.491 1.00 0.00 C ATOM 1728 CG GLN A 121 11.780 3.809 -5.385 1.00 0.00 C ATOM 1729 CD GLN A 121 11.349 3.312 -6.763 1.00 0.00 C ATOM 1730 OE1 GLN A 121 11.706 2.214 -7.178 1.00 0.00 O ATOM 1731 NE2 GLN A 121 10.573 4.095 -7.487 1.00 0.00 N ATOM 0 H GLN A 121 8.658 5.386 -3.314 1.00 0.00 H new ATOM 0 HA GLN A 121 11.641 5.652 -3.447 1.00 0.00 H new ATOM 0 HB2 GLN A 121 10.530 3.408 -3.688 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.671 4.050 -5.074 1.00 0.00 H new ATOM 0 HG2 GLN A 121 12.405 4.695 -5.500 1.00 0.00 H new ATOM 0 HG3 GLN A 121 12.392 3.048 -4.901 1.00 0.00 H new ATOM 0 HE21 GLN A 121 10.286 5.005 -7.125 1.00 0.00 H new ATOM 0 HE22 GLN A 121 10.259 3.791 -8.409 1.00 0.00 H new ATOM 1740 N MET A 122 11.064 7.858 -4.551 1.00 0.00 N ATOM 1741 CA MET A 122 10.995 9.095 -5.338 1.00 0.00 C ATOM 1742 C MET A 122 11.905 9.031 -6.578 1.00 0.00 C ATOM 1743 O MET A 122 12.678 9.931 -6.909 1.00 0.00 O ATOM 1744 CB MET A 122 11.256 10.289 -4.409 1.00 0.00 C ATOM 1745 CG MET A 122 10.883 11.624 -5.063 1.00 0.00 C ATOM 1746 SD MET A 122 9.469 12.482 -4.324 1.00 0.00 S ATOM 1747 CE MET A 122 8.075 11.350 -4.617 1.00 0.00 C ATOM 0 H MET A 122 11.625 7.965 -3.706 1.00 0.00 H new ATOM 0 HA MET A 122 9.996 9.227 -5.753 1.00 0.00 H new ATOM 0 HB2 MET A 122 10.683 10.164 -3.490 1.00 0.00 H new ATOM 0 HB3 MET A 122 12.309 10.306 -4.129 1.00 0.00 H new ATOM 0 HG2 MET A 122 11.749 12.284 -5.022 1.00 0.00 H new ATOM 0 HG3 MET A 122 10.668 11.446 -6.117 1.00 0.00 H new ATOM 0 HE1 MET A 122 7.216 11.670 -4.027 1.00 0.00 H new ATOM 0 HE2 MET A 122 7.813 11.361 -5.675 1.00 0.00 H new ATOM 0 HE3 MET A 122 8.359 10.339 -4.324 1.00 0.00 H new ATOM 1757 N ARG A 123 11.751 7.943 -7.323 1.00 0.00 N ATOM 1758 CA ARG A 123 12.301 7.670 -8.631 1.00 0.00 C ATOM 1759 C ARG A 123 11.096 7.328 -9.481 1.00 0.00 C ATOM 1760 O ARG A 123 10.319 6.478 -9.066 1.00 0.00 O ATOM 1761 CB ARG A 123 13.247 6.455 -8.548 1.00 0.00 C ATOM 1762 CG ARG A 123 14.621 6.730 -9.152 1.00 0.00 C ATOM 1763 CD ARG A 123 15.487 7.602 -8.238 1.00 0.00 C ATOM 1764 NE ARG A 123 16.825 7.713 -8.822 1.00 0.00 N ATOM 1765 CZ ARG A 123 17.915 8.298 -8.327 1.00 0.00 C ATOM 1766 NH1 ARG A 123 17.934 8.843 -7.115 1.00 0.00 N ATOM 1767 NH2 ARG A 123 18.993 8.309 -9.094 1.00 0.00 N ATOM 0 H ARG A 123 11.185 7.163 -6.990 1.00 0.00 H new ATOM 0 HA ARG A 123 12.872 8.506 -9.034 1.00 0.00 H new ATOM 0 HB2 ARG A 123 13.366 6.164 -7.504 1.00 0.00 H new ATOM 0 HB3 ARG A 123 12.791 5.610 -9.064 1.00 0.00 H new ATOM 0 HG2 ARG A 123 15.130 5.785 -9.339 1.00 0.00 H new ATOM 0 HG3 ARG A 123 14.501 7.224 -10.116 1.00 0.00 H new ATOM 0 HD2 ARG A 123 15.041 8.590 -8.126 1.00 0.00 H new ATOM 0 HD3 ARG A 123 15.545 7.163 -7.242 1.00 0.00 H new ATOM 0 HE ARG A 123 16.939 7.281 -9.739 1.00 0.00 H new ATOM 0 HH11 ARG A 123 17.097 8.821 -6.533 1.00 0.00 H new ATOM 0 HH12 ARG A 123 18.786 9.283 -6.767 1.00 0.00 H new ATOM 0 HH21 ARG A 123 18.965 7.882 -10.020 1.00 0.00 H new ATOM 0 HH22 ARG A 123 19.852 8.745 -8.760 1.00 0.00 H new ATOM 1781 N ALA A 124 10.912 7.954 -10.634 1.00 0.00 N ATOM 1782 CA ALA A 124 10.283 7.291 -11.754 1.00 0.00 C ATOM 1783 C ALA A 124 11.102 6.027 -12.069 1.00 0.00 C ATOM 1784 O ALA A 124 12.331 6.146 -12.110 1.00 0.00 O ATOM 1785 CB ALA A 124 10.256 8.268 -12.930 1.00 0.00 C ATOM 0 H ALA A 124 11.191 8.919 -10.813 1.00 0.00 H new ATOM 0 HA ALA A 124 9.257 6.993 -11.539 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.785 7.790 -13.789 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.688 9.156 -12.652 1.00 0.00 H new ATOM 0 HB3 ALA A 124 11.275 8.555 -13.188 1.00 0.00 H new ATOM 1791 N PRO A 125 10.482 4.864 -12.329 1.00 0.00 N ATOM 1792 CA PRO A 125 9.058 4.597 -12.184 1.00 0.00 C ATOM 1793 C PRO A 125 8.670 4.499 -10.705 1.00 0.00 C ATOM 1794 O PRO A 125 9.235 3.715 -9.942 1.00 0.00 O ATOM 1795 CB PRO A 125 8.804 3.272 -12.909 1.00 0.00 C ATOM 1796 CG PRO A 125 10.146 2.550 -12.787 1.00 0.00 C ATOM 1797 CD PRO A 125 11.174 3.680 -12.810 1.00 0.00 C ATOM 0 HA PRO A 125 8.455 5.401 -12.607 1.00 0.00 H new ATOM 0 HB2 PRO A 125 7.997 2.706 -12.444 1.00 0.00 H new ATOM 0 HB3 PRO A 125 8.524 3.429 -13.951 1.00 0.00 H new ATOM 0 HG2 PRO A 125 10.207 1.973 -11.864 1.00 0.00 H new ATOM 0 HG3 PRO A 125 10.301 1.852 -13.610 1.00 0.00 H new ATOM 0 HD2 PRO A 125 12.028 3.443 -12.175 1.00 0.00 H new ATOM 0 HD3 PRO A 125 11.559 3.836 -13.818 1.00 0.00 H new ATOM 1805 N GLN A 126 7.736 5.352 -10.289 1.00 0.00 N ATOM 1806 CA GLN A 126 7.375 5.511 -8.888 1.00 0.00 C ATOM 1807 C GLN A 126 6.519 4.342 -8.411 1.00 0.00 C ATOM 1808 O GLN A 126 5.595 3.900 -9.091 1.00 0.00 O ATOM 1809 CB GLN A 126 6.654 6.849 -8.699 1.00 0.00 C ATOM 1810 CG GLN A 126 7.565 8.041 -9.028 1.00 0.00 C ATOM 1811 CD GLN A 126 6.811 9.358 -9.003 1.00 0.00 C ATOM 1812 OE1 GLN A 126 6.111 9.712 -9.941 1.00 0.00 O ATOM 1813 NE2 GLN A 126 6.961 10.121 -7.944 1.00 0.00 N ATOM 0 H GLN A 126 7.207 5.954 -10.920 1.00 0.00 H new ATOM 0 HA GLN A 126 8.280 5.513 -8.280 1.00 0.00 H new ATOM 0 HB2 GLN A 126 5.771 6.879 -9.338 1.00 0.00 H new ATOM 0 HB3 GLN A 126 6.305 6.932 -7.670 1.00 0.00 H new ATOM 0 HG2 GLN A 126 8.385 8.079 -8.311 1.00 0.00 H new ATOM 0 HG3 GLN A 126 8.009 7.896 -10.013 1.00 0.00 H new ATOM 0 HE21 GLN A 126 7.549 9.810 -7.170 1.00 0.00 H new ATOM 0 HE22 GLN A 126 6.490 11.024 -7.895 1.00 0.00 H new ATOM 1822 N GLN A 127 6.806 3.886 -7.196 1.00 0.00 N ATOM 1823 CA GLN A 127 6.033 2.904 -6.448 1.00 0.00 C ATOM 1824 C GLN A 127 6.157 3.292 -4.983 1.00 0.00 C ATOM 1825 O GLN A 127 7.161 3.893 -4.592 1.00 0.00 O ATOM 1826 CB GLN A 127 6.590 1.484 -6.638 1.00 0.00 C ATOM 1827 CG GLN A 127 6.543 1.016 -8.094 1.00 0.00 C ATOM 1828 CD GLN A 127 7.191 -0.348 -8.269 1.00 0.00 C ATOM 1829 OE1 GLN A 127 8.402 -0.491 -8.091 1.00 0.00 O ATOM 1830 NE2 GLN A 127 6.418 -1.360 -8.608 1.00 0.00 N ATOM 0 H GLN A 127 7.626 4.208 -6.682 1.00 0.00 H new ATOM 0 HA GLN A 127 4.999 2.898 -6.794 1.00 0.00 H new ATOM 0 HB2 GLN A 127 7.621 1.453 -6.285 1.00 0.00 H new ATOM 0 HB3 GLN A 127 6.020 0.790 -6.020 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.507 0.972 -8.428 1.00 0.00 H new ATOM 0 HG3 GLN A 127 7.051 1.744 -8.726 1.00 0.00 H new ATOM 0 HE21 GLN A 127 5.418 -1.213 -8.749 1.00 0.00 H new ATOM 0 HE22 GLN A 127 6.819 -2.290 -8.729 1.00 0.00 H new ATOM 1839 N MET A 128 5.187 2.937 -4.158 1.00 0.00 N ATOM 1840 CA MET A 128 5.180 3.155 -2.712 1.00 0.00 C ATOM 1841 C MET A 128 5.172 1.782 -2.035 1.00 0.00 C ATOM 1842 O MET A 128 4.555 0.859 -2.565 1.00 0.00 O ATOM 1843 CB MET A 128 3.982 4.019 -2.319 1.00 0.00 C ATOM 1844 CG MET A 128 4.080 4.380 -0.839 1.00 0.00 C ATOM 1845 SD MET A 128 2.901 5.581 -0.185 1.00 0.00 S ATOM 1846 CE MET A 128 1.365 4.736 -0.615 1.00 0.00 C ATOM 0 H MET A 128 4.343 2.468 -4.487 1.00 0.00 H new ATOM 0 HA MET A 128 6.066 3.698 -2.385 1.00 0.00 H new ATOM 0 HB2 MET A 128 3.959 4.925 -2.925 1.00 0.00 H new ATOM 0 HB3 MET A 128 3.053 3.482 -2.513 1.00 0.00 H new ATOM 0 HG2 MET A 128 3.976 3.461 -0.263 1.00 0.00 H new ATOM 0 HG3 MET A 128 5.084 4.761 -0.653 1.00 0.00 H new ATOM 0 HE1 MET A 128 0.521 5.270 -0.178 1.00 0.00 H new ATOM 0 HE2 MET A 128 1.256 4.709 -1.699 1.00 0.00 H new ATOM 0 HE3 MET A 128 1.389 3.717 -0.228 1.00 0.00 H new ATOM 1856 N GLN A 129 5.829 1.615 -0.881 1.00 0.00 N ATOM 1857 CA GLN A 129 5.847 0.343 -0.161 1.00 0.00 C ATOM 1858 C GLN A 129 5.577 0.555 1.319 1.00 0.00 C ATOM 1859 O GLN A 129 6.460 0.996 2.055 1.00 0.00 O ATOM 1860 CB GLN A 129 7.150 -0.439 -0.399 1.00 0.00 C ATOM 1861 CG GLN A 129 7.000 -1.262 -1.688 1.00 0.00 C ATOM 1862 CD GLN A 129 8.192 -2.115 -2.112 1.00 0.00 C ATOM 1863 OE1 GLN A 129 8.687 -2.978 -1.249 1.00 0.00 O flip ATOM 1864 NE2 GLN A 129 8.660 -2.045 -3.247 1.00 0.00 N flip ATOM 0 H GLN A 129 6.360 2.357 -0.424 1.00 0.00 H new ATOM 0 HA GLN A 129 5.041 -0.272 -0.562 1.00 0.00 H new ATOM 0 HB2 GLN A 129 7.993 0.247 -0.484 1.00 0.00 H new ATOM 0 HB3 GLN A 129 7.357 -1.095 0.447 1.00 0.00 H new ATOM 0 HG2 GLN A 129 6.138 -1.919 -1.571 1.00 0.00 H new ATOM 0 HG3 GLN A 129 6.769 -0.575 -2.502 1.00 0.00 H new ATOM 0 HE21 GLN A 129 8.277 -1.377 -3.916 1.00 0.00 H new ATOM 0 HE22 GLN A 129 9.431 -2.655 -3.519 1.00 0.00 H new ATOM 1873 N LEU A 130 4.359 0.259 1.764 1.00 0.00 N ATOM 1874 CA LEU A 130 4.026 0.349 3.185 1.00 0.00 C ATOM 1875 C LEU A 130 4.523 -0.903 3.905 1.00 0.00 C ATOM 1876 O LEU A 130 4.531 -1.983 3.307 1.00 0.00 O ATOM 1877 CB LEU A 130 2.518 0.528 3.428 1.00 0.00 C ATOM 1878 CG LEU A 130 1.873 1.796 2.837 1.00 0.00 C ATOM 1879 CD1 LEU A 130 0.400 1.835 3.261 1.00 0.00 C ATOM 1880 CD2 LEU A 130 2.545 3.088 3.306 1.00 0.00 C ATOM 0 H LEU A 130 3.590 -0.044 1.167 1.00 0.00 H new ATOM 0 HA LEU A 130 4.521 1.235 3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 130 2.001 -0.340 3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 130 2.343 0.526 4.504 1.00 0.00 H new ATOM 0 HG LEU A 130 1.988 1.744 1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -0.073 2.727 2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -0.110 0.948 2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.335 1.857 4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.044 3.944 2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 130 2.478 3.160 4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 130 3.593 3.082 3.007 1.00 0.00 H new ATOM 1892 N VAL A 131 4.901 -0.782 5.183 1.00 0.00 N ATOM 1893 CA VAL A 131 5.472 -1.882 5.957 1.00 0.00 C ATOM 1894 C VAL A 131 4.756 -1.966 7.304 1.00 0.00 C ATOM 1895 O VAL A 131 4.570 -0.954 7.984 1.00 0.00 O ATOM 1896 CB VAL A 131 7.007 -1.740 6.064 1.00 0.00 C ATOM 1897 CG1 VAL A 131 7.658 -2.740 7.034 1.00 0.00 C ATOM 1898 CG2 VAL A 131 7.689 -1.923 4.703 1.00 0.00 C ATOM 0 H VAL A 131 4.817 0.088 5.709 1.00 0.00 H new ATOM 0 HA VAL A 131 5.311 -2.833 5.450 1.00 0.00 H new ATOM 0 HB VAL A 131 7.154 -0.730 6.446 1.00 0.00 H new ATOM 0 HG11 VAL A 131 8.736 -2.578 7.055 1.00 0.00 H new ATOM 0 HG12 VAL A 131 7.250 -2.595 8.034 1.00 0.00 H new ATOM 0 HG13 VAL A 131 7.450 -3.757 6.702 1.00 0.00 H new ATOM 0 HG21 VAL A 131 8.768 -1.816 4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 131 7.463 -2.915 4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 131 7.322 -1.168 4.008 1.00 0.00 H new ATOM 1908 N LEU A 132 4.273 -3.160 7.657 1.00 0.00 N ATOM 1909 CA LEU A 132 3.640 -3.373 8.958 1.00 0.00 C ATOM 1910 C LEU A 132 4.737 -3.584 9.988 1.00 0.00 C ATOM 1911 O LEU A 132 5.801 -4.087 9.646 1.00 0.00 O ATOM 1912 CB LEU A 132 2.668 -4.576 8.975 1.00 0.00 C ATOM 1913 CG LEU A 132 1.722 -4.738 7.771 1.00 0.00 C ATOM 1914 CD1 LEU A 132 0.669 -5.826 8.012 1.00 0.00 C ATOM 1915 CD2 LEU A 132 0.991 -3.466 7.355 1.00 0.00 C ATOM 0 H LEU A 132 4.308 -3.989 7.063 1.00 0.00 H new ATOM 0 HA LEU A 132 3.039 -2.493 9.187 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.260 -5.487 9.063 1.00 0.00 H new ATOM 0 HB3 LEU A 132 2.058 -4.504 9.876 1.00 0.00 H new ATOM 0 HG LEU A 132 2.394 -5.018 6.960 1.00 0.00 H new ATOM 0 HD11 LEU A 132 0.023 -5.907 7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 132 1.165 -6.781 8.186 1.00 0.00 H new ATOM 0 HD13 LEU A 132 0.069 -5.565 8.884 1.00 0.00 H new ATOM 0 HD21 LEU A 132 0.349 -3.678 6.500 1.00 0.00 H new ATOM 0 HD22 LEU A 132 0.383 -3.108 8.186 1.00 0.00 H new ATOM 0 HD23 LEU A 132 1.718 -2.701 7.082 1.00 0.00 H new ATOM 1927 N ASP A 133 4.425 -3.317 11.255 1.00 0.00 N ATOM 1928 CA ASP A 133 5.311 -3.497 12.413 1.00 0.00 C ATOM 1929 C ASP A 133 5.942 -4.897 12.457 1.00 0.00 C ATOM 1930 O ASP A 133 7.099 -5.089 12.839 1.00 0.00 O ATOM 1931 CB ASP A 133 4.480 -3.227 13.676 1.00 0.00 C ATOM 1932 CG ASP A 133 5.045 -3.881 14.935 1.00 0.00 C ATOM 1933 OD1 ASP A 133 6.183 -3.549 15.335 1.00 0.00 O ATOM 1934 OD2 ASP A 133 4.352 -4.754 15.506 1.00 0.00 O ATOM 0 H ASP A 133 3.509 -2.953 11.518 1.00 0.00 H new ATOM 0 HA ASP A 133 6.146 -2.800 12.342 1.00 0.00 H new ATOM 0 HB2 ASP A 133 4.416 -2.150 13.834 1.00 0.00 H new ATOM 0 HB3 ASP A 133 3.464 -3.587 13.515 1.00 0.00 H new ATOM 1939 N ASN A 134 5.170 -5.896 12.044 1.00 0.00 N ATOM 1940 CA ASN A 134 5.535 -7.310 12.082 1.00 0.00 C ATOM 1941 C ASN A 134 6.285 -7.727 10.806 1.00 0.00 C ATOM 1942 O ASN A 134 6.827 -8.834 10.756 1.00 0.00 O ATOM 1943 CB ASN A 134 4.297 -8.182 12.396 1.00 0.00 C ATOM 1944 CG ASN A 134 2.982 -7.530 11.996 1.00 0.00 C ATOM 1945 OD1 ASN A 134 2.294 -6.916 12.802 1.00 0.00 O ATOM 1946 ND2 ASN A 134 2.628 -7.537 10.727 1.00 0.00 N ATOM 0 H ASN A 134 4.238 -5.739 11.659 1.00 0.00 H new ATOM 0 HA ASN A 134 6.238 -7.476 12.898 1.00 0.00 H new ATOM 0 HB2 ASN A 134 4.393 -9.136 11.878 1.00 0.00 H new ATOM 0 HB3 ASN A 134 4.276 -8.399 13.464 1.00 0.00 H new ATOM 0 HD21 ASN A 134 1.791 -7.036 10.428 1.00 0.00 H new ATOM 0 HD22 ASN A 134 3.190 -8.044 10.043 1.00 0.00 H new ATOM 1953 N GLY A 135 6.385 -6.828 9.819 1.00 0.00 N ATOM 1954 CA GLY A 135 7.396 -6.819 8.770 1.00 0.00 C ATOM 1955 C GLY A 135 6.850 -6.947 7.350 1.00 0.00 C ATOM 1956 O GLY A 135 7.631 -6.891 6.395 1.00 0.00 O ATOM 0 H GLY A 135 5.728 -6.052 9.732 1.00 0.00 H new ATOM 0 HA2 GLY A 135 7.966 -5.893 8.842 1.00 0.00 H new ATOM 0 HA3 GLY A 135 8.093 -7.637 8.951 1.00 0.00 H new ATOM 1960 N ASP A 136 5.536 -7.140 7.197 1.00 0.00 N ATOM 1961 CA ASP A 136 4.850 -7.318 5.913 1.00 0.00 C ATOM 1962 C ASP A 136 5.119 -6.115 5.010 1.00 0.00 C ATOM 1963 O ASP A 136 5.438 -5.038 5.506 1.00 0.00 O ATOM 1964 CB ASP A 136 3.341 -7.478 6.154 1.00 0.00 C ATOM 1965 CG ASP A 136 2.848 -8.898 5.924 1.00 0.00 C ATOM 1966 OD1 ASP A 136 3.326 -9.820 6.625 1.00 0.00 O ATOM 1967 OD2 ASP A 136 1.947 -9.085 5.083 1.00 0.00 O ATOM 0 H ASP A 136 4.898 -7.178 7.992 1.00 0.00 H new ATOM 0 HA ASP A 136 5.227 -8.215 5.421 1.00 0.00 H new ATOM 0 HB2 ASP A 136 3.109 -7.180 7.176 1.00 0.00 H new ATOM 0 HB3 ASP A 136 2.800 -6.800 5.494 1.00 0.00 H new ATOM 1972 N THR A 137 5.002 -6.262 3.691 1.00 0.00 N ATOM 1973 CA THR A 137 5.384 -5.237 2.723 1.00 0.00 C ATOM 1974 C THR A 137 4.353 -5.189 1.595 1.00 0.00 C ATOM 1975 O THR A 137 4.398 -6.003 0.666 1.00 0.00 O ATOM 1976 CB THR A 137 6.805 -5.523 2.208 1.00 0.00 C ATOM 1977 OG1 THR A 137 7.705 -5.697 3.289 1.00 0.00 O ATOM 1978 CG2 THR A 137 7.339 -4.379 1.343 1.00 0.00 C ATOM 0 H THR A 137 4.634 -7.110 3.259 1.00 0.00 H new ATOM 0 HA THR A 137 5.398 -4.254 3.194 1.00 0.00 H new ATOM 0 HB THR A 137 6.738 -6.432 1.611 1.00 0.00 H new ATOM 0 HG1 THR A 137 8.603 -5.879 2.941 1.00 0.00 H new ATOM 0 HG21 THR A 137 8.345 -4.621 1.000 1.00 0.00 H new ATOM 0 HG22 THR A 137 6.686 -4.239 0.482 1.00 0.00 H new ATOM 0 HG23 THR A 137 7.367 -3.461 1.930 1.00 0.00 H new ATOM 1986 N LEU A 138 3.403 -4.258 1.668 1.00 0.00 N ATOM 1987 CA LEU A 138 2.492 -3.996 0.558 1.00 0.00 C ATOM 1988 C LEU A 138 3.194 -3.053 -0.411 1.00 0.00 C ATOM 1989 O LEU A 138 3.892 -2.145 0.034 1.00 0.00 O ATOM 1990 CB LEU A 138 1.167 -3.390 1.041 1.00 0.00 C ATOM 1991 CG LEU A 138 0.299 -4.398 1.823 1.00 0.00 C ATOM 1992 CD1 LEU A 138 0.515 -4.291 3.342 1.00 0.00 C ATOM 1993 CD2 LEU A 138 -1.182 -4.189 1.494 1.00 0.00 C ATOM 0 H LEU A 138 3.245 -3.672 2.487 1.00 0.00 H new ATOM 0 HA LEU A 138 2.242 -4.935 0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 138 1.376 -2.529 1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 138 0.605 -3.024 0.182 1.00 0.00 H new ATOM 0 HG LEU A 138 0.606 -5.397 1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -0.116 -5.019 3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 138 1.561 -4.491 3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 138 0.254 -3.287 3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -1.783 -4.906 2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -1.477 -3.176 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -1.342 -4.335 0.426 1.00 0.00 H new ATOM 2005 N THR A 139 2.989 -3.250 -1.709 1.00 0.00 N ATOM 2006 CA THR A 139 3.667 -2.556 -2.793 1.00 0.00 C ATOM 2007 C THR A 139 2.599 -1.999 -3.725 1.00 0.00 C ATOM 2008 O THR A 139 1.665 -2.708 -4.119 1.00 0.00 O ATOM 2009 CB THR A 139 4.600 -3.533 -3.521 1.00 0.00 C ATOM 2010 OG1 THR A 139 5.476 -4.158 -2.605 1.00 0.00 O ATOM 2011 CG2 THR A 139 5.428 -2.877 -4.629 1.00 0.00 C ATOM 0 H THR A 139 2.311 -3.933 -2.048 1.00 0.00 H new ATOM 0 HA THR A 139 4.280 -1.736 -2.419 1.00 0.00 H new ATOM 0 HB THR A 139 3.947 -4.268 -3.992 1.00 0.00 H new ATOM 0 HG1 THR A 139 6.063 -4.779 -3.085 1.00 0.00 H new ATOM 0 HG21 THR A 139 6.064 -3.626 -5.100 1.00 0.00 H new ATOM 0 HG22 THR A 139 4.761 -2.446 -5.376 1.00 0.00 H new ATOM 0 HG23 THR A 139 6.050 -2.090 -4.201 1.00 0.00 H new ATOM 2019 N PHE A 140 2.725 -0.713 -4.033 1.00 0.00 N ATOM 2020 CA PHE A 140 1.709 0.077 -4.684 1.00 0.00 C ATOM 2021 C PHE A 140 2.334 0.795 -5.868 1.00 0.00 C ATOM 2022 O PHE A 140 3.282 1.564 -5.691 1.00 0.00 O ATOM 2023 CB PHE A 140 1.130 1.084 -3.693 1.00 0.00 C ATOM 2024 CG PHE A 140 0.435 0.484 -2.489 1.00 0.00 C ATOM 2025 CD1 PHE A 140 -0.947 0.220 -2.529 1.00 0.00 C ATOM 2026 CD2 PHE A 140 1.145 0.304 -1.288 1.00 0.00 C ATOM 2027 CE1 PHE A 140 -1.613 -0.227 -1.375 1.00 0.00 C ATOM 2028 CE2 PHE A 140 0.477 -0.137 -0.136 1.00 0.00 C ATOM 2029 CZ PHE A 140 -0.900 -0.416 -0.179 1.00 0.00 C ATOM 0 H PHE A 140 3.570 -0.182 -3.825 1.00 0.00 H new ATOM 0 HA PHE A 140 0.901 -0.564 -5.036 1.00 0.00 H new ATOM 0 HB2 PHE A 140 1.937 1.728 -3.342 1.00 0.00 H new ATOM 0 HB3 PHE A 140 0.420 1.721 -4.221 1.00 0.00 H new ATOM 0 HD1 PHE A 140 -1.496 0.361 -3.448 1.00 0.00 H new ATOM 0 HD2 PHE A 140 2.205 0.506 -1.253 1.00 0.00 H new ATOM 0 HE1 PHE A 140 -2.674 -0.425 -1.407 1.00 0.00 H new ATOM 0 HE2 PHE A 140 1.023 -0.263 0.787 1.00 0.00 H new ATOM 0 HZ PHE A 140 -1.408 -0.774 0.704 1.00 0.00 H new ATOM 2039 N ASP A 141 1.813 0.564 -7.064 1.00 0.00 N ATOM 2040 CA ASP A 141 2.254 1.239 -8.273 1.00 0.00 C ATOM 2041 C ASP A 141 1.690 2.651 -8.270 1.00 0.00 C ATOM 2042 O ASP A 141 0.571 2.891 -7.807 1.00 0.00 O ATOM 2043 CB ASP A 141 1.785 0.467 -9.514 1.00 0.00 C ATOM 2044 CG ASP A 141 2.713 -0.690 -9.886 1.00 0.00 C ATOM 2045 OD1 ASP A 141 3.709 -0.947 -9.174 1.00 0.00 O ATOM 2046 OD2 ASP A 141 2.433 -1.369 -10.896 1.00 0.00 O ATOM 0 H ASP A 141 1.062 -0.107 -7.223 1.00 0.00 H new ATOM 0 HA ASP A 141 3.343 1.282 -8.301 1.00 0.00 H new ATOM 0 HB2 ASP A 141 0.783 0.078 -9.335 1.00 0.00 H new ATOM 0 HB3 ASP A 141 1.715 1.154 -10.357 1.00 0.00 H new ATOM 2051 N ARG A 142 2.462 3.608 -8.783 1.00 0.00 N ATOM 2052 CA ARG A 142 1.989 4.968 -8.999 1.00 0.00 C ATOM 2053 C ARG A 142 0.994 4.945 -10.150 1.00 0.00 C ATOM 2054 O ARG A 142 1.338 4.466 -11.229 1.00 0.00 O ATOM 2055 CB ARG A 142 3.204 5.831 -9.349 1.00 0.00 C ATOM 2056 CG ARG A 142 2.900 7.296 -9.671 1.00 0.00 C ATOM 2057 CD ARG A 142 2.793 8.136 -8.402 1.00 0.00 C ATOM 2058 NE ARG A 142 2.867 9.564 -8.738 1.00 0.00 N ATOM 2059 CZ ARG A 142 3.458 10.505 -7.998 1.00 0.00 C ATOM 2060 NH1 ARG A 142 3.792 10.249 -6.735 1.00 0.00 N ATOM 2061 NH2 ARG A 142 3.718 11.685 -8.540 1.00 0.00 N ATOM 0 H ARG A 142 3.432 3.459 -9.059 1.00 0.00 H new ATOM 0 HA ARG A 142 1.498 5.375 -8.115 1.00 0.00 H new ATOM 0 HB2 ARG A 142 3.904 5.798 -8.514 1.00 0.00 H new ATOM 0 HB3 ARG A 142 3.709 5.386 -10.206 1.00 0.00 H new ATOM 0 HG2 ARG A 142 3.685 7.700 -10.311 1.00 0.00 H new ATOM 0 HG3 ARG A 142 1.967 7.361 -10.231 1.00 0.00 H new ATOM 0 HD2 ARG A 142 1.854 7.922 -7.892 1.00 0.00 H new ATOM 0 HD3 ARG A 142 3.596 7.874 -7.713 1.00 0.00 H new ATOM 0 HE ARG A 142 2.430 9.862 -9.610 1.00 0.00 H new ATOM 0 HH11 ARG A 142 3.596 9.333 -6.331 1.00 0.00 H new ATOM 0 HH12 ARG A 142 4.243 10.969 -6.171 1.00 0.00 H new ATOM 0 HH21 ARG A 142 3.467 11.866 -9.512 1.00 0.00 H new ATOM 0 HH22 ARG A 142 4.169 12.413 -7.986 1.00 0.00 H new ATOM 2075 N SER A 143 -0.188 5.533 -9.962 1.00 0.00 N ATOM 2076 CA SER A 143 -1.126 5.770 -11.043 1.00 0.00 C ATOM 2077 C SER A 143 -1.691 7.180 -10.905 1.00 0.00 C ATOM 2078 O SER A 143 -2.777 7.389 -10.365 1.00 0.00 O ATOM 2079 CB SER A 143 -2.154 4.637 -11.068 1.00 0.00 C ATOM 2080 OG SER A 143 -3.108 4.813 -12.108 1.00 0.00 O ATOM 0 H SER A 143 -0.516 5.856 -9.052 1.00 0.00 H new ATOM 0 HA SER A 143 -0.652 5.745 -12.024 1.00 0.00 H new ATOM 0 HB2 SER A 143 -1.642 3.684 -11.202 1.00 0.00 H new ATOM 0 HB3 SER A 143 -2.667 4.591 -10.108 1.00 0.00 H new ATOM 0 HG SER A 143 -3.747 4.070 -12.095 1.00 0.00 H new ATOM 2086 N THR A 144 -0.951 8.158 -11.425 1.00 0.00 N ATOM 2087 CA THR A 144 -1.345 9.575 -11.495 1.00 0.00 C ATOM 2088 C THR A 144 -2.352 9.851 -12.633 1.00 0.00 C ATOM 2089 O THR A 144 -2.509 10.997 -13.061 1.00 0.00 O ATOM 2090 CB THR A 144 -0.095 10.472 -11.639 1.00 0.00 C ATOM 2091 OG1 THR A 144 1.076 9.841 -11.132 1.00 0.00 O ATOM 2092 CG2 THR A 144 -0.271 11.793 -10.885 1.00 0.00 C ATOM 0 H THR A 144 -0.028 7.986 -11.824 1.00 0.00 H new ATOM 0 HA THR A 144 -1.852 9.818 -10.561 1.00 0.00 H new ATOM 0 HB THR A 144 0.020 10.655 -12.707 1.00 0.00 H new ATOM 0 HG1 THR A 144 1.865 10.365 -11.384 1.00 0.00 H new ATOM 0 HG21 THR A 144 0.625 12.403 -11.005 1.00 0.00 H new ATOM 0 HG22 THR A 144 -1.131 12.329 -11.286 1.00 0.00 H new ATOM 0 HG23 THR A 144 -0.432 11.589 -9.826 1.00 0.00 H new ATOM 2100 N ARG A 145 -3.028 8.806 -13.128 1.00 0.00 N ATOM 2101 CA ARG A 145 -3.819 8.764 -14.328 1.00 0.00 C ATOM 2102 C ARG A 145 -2.956 9.024 -15.537 1.00 0.00 C ATOM 2103 O ARG A 145 -2.436 8.005 -16.031 1.00 0.00 O ATOM 2104 CB ARG A 145 -5.069 9.621 -14.159 1.00 0.00 C ATOM 2105 CG ARG A 145 -6.032 9.361 -15.302 1.00 0.00 C ATOM 2106 CD ARG A 145 -5.960 10.489 -16.333 1.00 0.00 C ATOM 2107 NE ARG A 145 -7.030 10.407 -17.326 1.00 0.00 N ATOM 2108 CZ ARG A 145 -8.321 10.679 -17.112 1.00 0.00 C ATOM 2109 NH1 ARG A 145 -8.803 10.909 -15.891 1.00 0.00 N ATOM 2110 NH2 ARG A 145 -9.161 10.708 -18.137 1.00 0.00 N ATOM 0 H ARG A 145 -3.024 7.905 -12.649 1.00 0.00 H new ATOM 0 HA ARG A 145 -4.215 7.766 -14.516 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -5.550 9.394 -13.208 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -4.796 10.676 -14.134 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -5.792 8.410 -15.778 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -7.048 9.277 -14.917 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -6.016 11.450 -15.821 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -4.995 10.454 -16.839 1.00 0.00 H new ATOM 0 HE ARG A 145 -6.767 10.116 -18.268 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -8.181 10.880 -15.083 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -9.794 11.114 -15.764 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -8.821 10.523 -19.081 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -10.148 10.915 -17.982 1.00 0.00 H new