USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 910 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 80 GLN : amide:sc= -0.142 K(o=-0.14,f=-0.77) USER MOD Set 1.2: A 83 GLN : amide:sc=-0.00177 K(o=-0.14,f=-1.6) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0219 K(o=-0.022,f=-0.81) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 45 MET CE :methyl 157:sc= -0.185 (180deg=-0.867) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= -0.0204 (180deg=-0.205) USER MOD Single : A 48 TYR OH : rot -32:sc= 0.27 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.0639 K(o=0.064,f=-4.5!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.858 X(o=-0.86,f=-0.96) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -10:sc= 0.0714 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -1.7 X(o=-1.7,f=-1.5) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -87:sc= 0.642 USER MOD Single : A 95 THR OG1 : rot 83:sc= 0.806 USER MOD Single : A 96 THR OG1 : rot 87:sc= 1.12 USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 99 HIS : no HD1:sc=-0.00713 X(o=-0.0071,f=-0.0042) USER MOD Single : A 100 HIS : no HD1:sc= -0.0945 K(o=-0.094,f=-3.4!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl -167:sc= -0.754 (180deg=-1.11) USER MOD Single : A 114 THR OG1 : rot -82:sc= 0.806 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -176:sc= -3.51! (180deg=-3.65!) USER MOD Single : A 124 MET CE :methyl 166:sc= -0.261 (180deg=-0.641) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 20.226 2.241 5.142 1.00 0.00 N ATOM 243 CA ALA A 19 19.466 3.473 5.325 1.00 0.00 C ATOM 244 C ALA A 19 18.470 3.692 4.190 1.00 0.00 C ATOM 245 O ALA A 19 17.476 4.400 4.353 1.00 0.00 O ATOM 246 CB ALA A 19 20.410 4.662 5.433 1.00 0.00 C ATOM 0 HA ALA A 19 18.899 3.380 6.251 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.831 5.575 5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.074 4.523 6.286 1.00 0.00 H new ATOM 0 HB3 ALA A 19 21.002 4.741 4.521 1.00 0.00 H new ATOM 252 N GLU A 20 18.744 3.080 3.041 1.00 0.00 N ATOM 253 CA GLU A 20 17.878 3.215 1.873 1.00 0.00 C ATOM 254 C GLU A 20 16.446 2.800 2.198 1.00 0.00 C ATOM 255 O GLU A 20 15.495 3.507 1.862 1.00 0.00 O ATOM 256 CB GLU A 20 18.413 2.366 0.718 1.00 0.00 C ATOM 257 CG GLU A 20 17.618 2.516 -0.569 1.00 0.00 C ATOM 258 CD GLU A 20 17.699 3.916 -1.146 1.00 0.00 C ATOM 259 OE1 GLU A 20 16.878 4.770 -0.750 1.00 0.00 O ATOM 260 OE2 GLU A 20 18.585 4.159 -1.994 1.00 0.00 O ATOM 0 H GLU A 20 19.559 2.485 2.894 1.00 0.00 H new ATOM 0 HA GLU A 20 17.873 4.264 1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.451 2.640 0.528 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.409 1.318 1.017 1.00 0.00 H new ATOM 0 HG2 GLU A 20 17.988 1.802 -1.305 1.00 0.00 H new ATOM 0 HG3 GLU A 20 16.574 2.266 -0.378 1.00 0.00 H new ATOM 267 N PHE A 21 16.297 1.653 2.852 1.00 0.00 N ATOM 268 CA PHE A 21 14.978 1.150 3.220 1.00 0.00 C ATOM 269 C PHE A 21 14.246 2.152 4.105 1.00 0.00 C ATOM 270 O PHE A 21 13.101 2.513 3.832 1.00 0.00 O ATOM 271 CB PHE A 21 15.102 -0.194 3.943 1.00 0.00 C ATOM 272 CG PHE A 21 13.781 -0.821 4.289 1.00 0.00 C ATOM 273 CD1 PHE A 21 13.148 -0.521 5.484 1.00 0.00 C ATOM 274 CD2 PHE A 21 13.171 -1.712 3.419 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.934 -1.096 5.807 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.957 -2.291 3.735 1.00 0.00 C ATOM 277 CZ PHE A 21 11.338 -1.982 4.930 1.00 0.00 C ATOM 0 H PHE A 21 17.072 1.055 3.138 1.00 0.00 H new ATOM 0 HA PHE A 21 14.402 1.008 2.306 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.667 -0.883 3.315 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.677 -0.052 4.858 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.610 0.172 6.172 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.651 -1.956 2.483 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.452 -0.854 6.743 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.493 -2.984 3.049 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.389 -2.433 5.179 1.00 0.00 H new ATOM 287 N ASP A 22 14.913 2.595 5.167 1.00 0.00 N ATOM 288 CA ASP A 22 14.328 3.557 6.096 1.00 0.00 C ATOM 289 C ASP A 22 13.840 4.799 5.358 1.00 0.00 C ATOM 290 O ASP A 22 12.796 5.361 5.691 1.00 0.00 O ATOM 291 CB ASP A 22 15.348 3.951 7.167 1.00 0.00 C ATOM 292 CG ASP A 22 15.844 2.759 7.959 1.00 0.00 C ATOM 293 OD1 ASP A 22 16.832 2.127 7.527 1.00 0.00 O ATOM 294 OD2 ASP A 22 15.247 2.456 9.013 1.00 0.00 O ATOM 0 H ASP A 22 15.861 2.303 5.406 1.00 0.00 H new ATOM 0 HA ASP A 22 13.472 3.084 6.578 1.00 0.00 H new ATOM 0 HB2 ASP A 22 16.195 4.447 6.693 1.00 0.00 H new ATOM 0 HB3 ASP A 22 14.896 4.673 7.847 1.00 0.00 H new ATOM 299 N ALA A 23 14.605 5.223 4.358 1.00 0.00 N ATOM 300 CA ALA A 23 14.250 6.395 3.567 1.00 0.00 C ATOM 301 C ALA A 23 12.888 6.210 2.907 1.00 0.00 C ATOM 302 O ALA A 23 12.042 7.105 2.944 1.00 0.00 O ATOM 303 CB ALA A 23 15.316 6.664 2.517 1.00 0.00 C ATOM 0 H ALA A 23 15.475 4.772 4.076 1.00 0.00 H new ATOM 0 HA ALA A 23 14.191 7.255 4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.039 7.542 1.933 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.273 6.842 3.007 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.402 5.801 1.856 1.00 0.00 H new ATOM 309 N VAL A 24 12.683 5.041 2.306 1.00 0.00 N ATOM 310 CA VAL A 24 11.422 4.733 1.640 1.00 0.00 C ATOM 311 C VAL A 24 10.260 4.783 2.627 1.00 0.00 C ATOM 312 O VAL A 24 9.166 5.233 2.289 1.00 0.00 O ATOM 313 CB VAL A 24 11.459 3.344 0.972 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.180 3.094 0.186 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.678 3.217 0.071 1.00 0.00 C ATOM 0 H VAL A 24 13.374 4.292 2.267 1.00 0.00 H new ATOM 0 HA VAL A 24 11.276 5.489 0.869 1.00 0.00 H new ATOM 0 HB VAL A 24 11.532 2.588 1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.225 2.109 -0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.324 3.139 0.860 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.074 3.855 -0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.687 2.230 -0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.638 3.981 -0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.584 3.348 0.663 1.00 0.00 H new ATOM 325 N VAL A 25 10.507 4.317 3.849 1.00 0.00 N ATOM 326 CA VAL A 25 9.482 4.310 4.886 1.00 0.00 C ATOM 327 C VAL A 25 8.973 5.723 5.156 1.00 0.00 C ATOM 328 O VAL A 25 7.771 5.941 5.310 1.00 0.00 O ATOM 329 CB VAL A 25 10.014 3.706 6.201 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.904 3.612 7.238 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.632 2.340 5.949 1.00 0.00 C ATOM 0 H VAL A 25 11.408 3.940 4.144 1.00 0.00 H new ATOM 0 HA VAL A 25 8.662 3.692 4.520 1.00 0.00 H new ATOM 0 HB VAL A 25 10.789 4.365 6.592 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.301 3.183 8.158 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.511 4.608 7.442 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.104 2.977 6.858 1.00 0.00 H new ATOM 0 HG21 VAL A 25 11.002 1.929 6.888 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.879 1.671 5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.459 2.439 5.246 1.00 0.00 H new ATOM 341 N GLY A 26 9.898 6.677 5.211 1.00 0.00 N ATOM 342 CA GLY A 26 9.525 8.059 5.454 1.00 0.00 C ATOM 343 C GLY A 26 8.654 8.619 4.348 1.00 0.00 C ATOM 344 O GLY A 26 7.665 9.305 4.612 1.00 0.00 O ATOM 0 H GLY A 26 10.898 6.518 5.092 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.994 8.129 6.403 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.426 8.666 5.547 1.00 0.00 H new ATOM 348 N TYR A 27 9.022 8.325 3.105 1.00 0.00 N ATOM 349 CA TYR A 27 8.263 8.798 1.953 1.00 0.00 C ATOM 350 C TYR A 27 6.862 8.195 1.946 1.00 0.00 C ATOM 351 O TYR A 27 5.898 8.849 1.547 1.00 0.00 O ATOM 352 CB TYR A 27 8.990 8.451 0.650 1.00 0.00 C ATOM 353 CG TYR A 27 10.310 9.175 0.475 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.382 10.560 0.563 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.483 8.471 0.217 1.00 0.00 C ATOM 356 CE1 TYR A 27 11.583 11.224 0.399 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.686 9.130 0.054 1.00 0.00 C ATOM 358 CZ TYR A 27 12.731 10.505 0.146 1.00 0.00 C ATOM 359 OH TYR A 27 13.929 11.163 -0.017 1.00 0.00 O ATOM 0 H TYR A 27 9.840 7.762 2.870 1.00 0.00 H new ATOM 0 HA TYR A 27 8.175 9.882 2.028 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.169 7.376 0.620 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.341 8.690 -0.192 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.485 11.127 0.763 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.452 7.394 0.143 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.622 12.301 0.469 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.588 8.570 -0.145 1.00 0.00 H new ATOM 0 HH TYR A 27 14.640 10.511 -0.188 1.00 0.00 H new ATOM 369 N LEU A 28 6.755 6.946 2.395 1.00 0.00 N ATOM 370 CA LEU A 28 5.468 6.258 2.441 1.00 0.00 C ATOM 371 C LEU A 28 4.499 6.982 3.369 1.00 0.00 C ATOM 372 O LEU A 28 3.350 7.236 3.005 1.00 0.00 O ATOM 373 CB LEU A 28 5.650 4.809 2.906 1.00 0.00 C ATOM 374 CG LEU A 28 6.309 3.874 1.888 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.571 2.512 2.512 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.438 3.730 0.648 1.00 0.00 C ATOM 0 H LEU A 28 7.542 6.392 2.731 1.00 0.00 H new ATOM 0 HA LEU A 28 5.051 6.257 1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.250 4.809 3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.673 4.403 3.168 1.00 0.00 H new ATOM 0 HG LEU A 28 7.262 4.310 1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.040 1.859 1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.234 2.626 3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.628 2.074 2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.924 3.062 -0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.469 3.317 0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.296 4.708 0.188 1.00 0.00 H new ATOM 388 N GLU A 29 4.971 7.315 4.566 1.00 0.00 N ATOM 389 CA GLU A 29 4.146 8.010 5.547 1.00 0.00 C ATOM 390 C GLU A 29 3.674 9.355 5.002 1.00 0.00 C ATOM 391 O GLU A 29 2.553 9.786 5.274 1.00 0.00 O ATOM 392 CB GLU A 29 4.926 8.210 6.847 1.00 0.00 C ATOM 393 CG GLU A 29 5.386 6.907 7.484 1.00 0.00 C ATOM 394 CD GLU A 29 6.106 7.124 8.801 1.00 0.00 C ATOM 395 OE1 GLU A 29 7.328 7.383 8.773 1.00 0.00 O ATOM 396 OE2 GLU A 29 5.449 7.033 9.859 1.00 0.00 O ATOM 0 H GLU A 29 5.921 7.115 4.880 1.00 0.00 H new ATOM 0 HA GLU A 29 3.268 7.397 5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.796 8.835 6.647 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.301 8.752 7.557 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.522 6.262 7.648 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.048 6.383 6.794 1.00 0.00 H new ATOM 403 N ASP A 30 4.535 10.014 4.233 1.00 0.00 N ATOM 404 CA ASP A 30 4.201 11.308 3.648 1.00 0.00 C ATOM 405 C ASP A 30 3.076 11.168 2.624 1.00 0.00 C ATOM 406 O ASP A 30 2.206 12.032 2.519 1.00 0.00 O ATOM 407 CB ASP A 30 5.434 11.925 2.986 1.00 0.00 C ATOM 408 CG ASP A 30 5.136 13.266 2.347 1.00 0.00 C ATOM 409 OD1 ASP A 30 5.264 14.297 3.042 1.00 0.00 O ATOM 410 OD2 ASP A 30 4.771 13.288 1.153 1.00 0.00 O ATOM 0 H ASP A 30 5.468 9.674 4.001 1.00 0.00 H new ATOM 0 HA ASP A 30 3.860 11.964 4.449 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.220 12.047 3.731 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.817 11.241 2.228 1.00 0.00 H new ATOM 415 N ILE A 31 3.104 10.071 1.873 1.00 0.00 N ATOM 416 CA ILE A 31 2.093 9.809 0.854 1.00 0.00 C ATOM 417 C ILE A 31 0.733 9.530 1.486 1.00 0.00 C ATOM 418 O ILE A 31 -0.293 10.019 1.012 1.00 0.00 O ATOM 419 CB ILE A 31 2.497 8.613 -0.035 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.788 8.933 -0.792 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.376 8.259 -1.005 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.434 7.721 -1.427 1.00 0.00 C ATOM 0 H ILE A 31 3.818 9.347 1.952 1.00 0.00 H new ATOM 0 HA ILE A 31 2.021 10.704 0.236 1.00 0.00 H new ATOM 0 HB ILE A 31 2.674 7.748 0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.572 9.667 -1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.497 9.394 -0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.682 7.414 -1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.480 7.994 -0.444 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.163 9.116 -1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.344 8.023 -1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.682 6.994 -0.654 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.742 7.271 -2.139 1.00 0.00 H new ATOM 434 N ILE A 32 0.729 8.740 2.555 1.00 0.00 N ATOM 435 CA ILE A 32 -0.507 8.398 3.247 1.00 0.00 C ATOM 436 C ILE A 32 -1.145 9.635 3.872 1.00 0.00 C ATOM 437 O ILE A 32 -2.367 9.723 3.993 1.00 0.00 O ATOM 438 CB ILE A 32 -0.266 7.338 4.341 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.390 6.097 3.733 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.576 6.970 5.027 1.00 0.00 C ATOM 441 CD1 ILE A 32 0.811 5.065 4.758 1.00 0.00 C ATOM 0 H ILE A 32 1.568 8.325 2.960 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.186 7.983 2.501 1.00 0.00 H new ATOM 0 HB ILE A 32 0.405 7.756 5.092 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.306 5.636 3.032 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.265 6.404 3.159 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.386 6.221 5.796 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.009 7.859 5.486 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.271 6.566 4.291 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.268 4.215 4.252 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.532 5.508 5.445 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.063 4.729 5.316 1.00 0.00 H new ATOM 453 N MET A 33 -0.309 10.592 4.266 1.00 0.00 N ATOM 454 CA MET A 33 -0.794 11.824 4.875 1.00 0.00 C ATOM 455 C MET A 33 -0.890 12.944 3.842 1.00 0.00 C ATOM 456 O MET A 33 -1.158 14.095 4.184 1.00 0.00 O ATOM 457 CB MET A 33 0.123 12.248 6.023 1.00 0.00 C ATOM 458 CG MET A 33 0.191 11.231 7.151 1.00 0.00 C ATOM 459 SD MET A 33 1.127 11.829 8.570 1.00 0.00 S ATOM 460 CE MET A 33 0.968 10.438 9.688 1.00 0.00 C ATOM 0 H MET A 33 0.705 10.537 4.174 1.00 0.00 H new ATOM 0 HA MET A 33 -1.792 11.634 5.270 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.127 12.414 5.633 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.225 13.200 6.423 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.821 10.978 7.468 1.00 0.00 H new ATOM 0 HG3 MET A 33 0.647 10.313 6.780 1.00 0.00 H new ATOM 0 HE1 MET A 33 1.496 10.655 10.616 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.086 10.263 9.903 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.397 9.549 9.226 1.00 0.00 H new ATOM 470 N ASP A 34 -0.671 12.598 2.576 1.00 0.00 N ATOM 471 CA ASP A 34 -0.737 13.577 1.497 1.00 0.00 C ATOM 472 C ASP A 34 -2.187 13.933 1.183 1.00 0.00 C ATOM 473 O ASP A 34 -3.045 13.056 1.092 1.00 0.00 O ATOM 474 CB ASP A 34 -0.046 13.035 0.244 1.00 0.00 C ATOM 475 CG ASP A 34 0.128 14.095 -0.826 1.00 0.00 C ATOM 476 OD1 ASP A 34 -0.829 14.326 -1.593 1.00 0.00 O ATOM 477 OD2 ASP A 34 1.222 14.693 -0.896 1.00 0.00 O ATOM 0 H ASP A 34 -0.447 11.650 2.274 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.220 14.480 1.822 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.930 12.634 0.516 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.629 12.208 -0.160 1.00 0.00 H new ATOM 482 N ASP A 35 -2.450 15.225 1.018 1.00 0.00 N ATOM 483 CA ASP A 35 -3.797 15.706 0.724 1.00 0.00 C ATOM 484 C ASP A 35 -4.380 15.019 -0.508 1.00 0.00 C ATOM 485 O ASP A 35 -5.529 14.577 -0.497 1.00 0.00 O ATOM 486 CB ASP A 35 -3.782 17.222 0.518 1.00 0.00 C ATOM 487 CG ASP A 35 -5.147 17.771 0.148 1.00 0.00 C ATOM 488 OD1 ASP A 35 -5.931 18.084 1.070 1.00 0.00 O ATOM 489 OD2 ASP A 35 -5.432 17.889 -1.062 1.00 0.00 O ATOM 0 H ASP A 35 -1.746 15.961 1.083 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.431 15.463 1.577 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.434 17.706 1.431 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.068 17.472 -0.267 1.00 0.00 H new ATOM 494 N GLU A 36 -3.584 14.935 -1.569 1.00 0.00 N ATOM 495 CA GLU A 36 -4.026 14.308 -2.812 1.00 0.00 C ATOM 496 C GLU A 36 -4.427 12.853 -2.590 1.00 0.00 C ATOM 497 O GLU A 36 -5.342 12.346 -3.240 1.00 0.00 O ATOM 498 CB GLU A 36 -2.918 14.380 -3.865 1.00 0.00 C ATOM 499 CG GLU A 36 -2.570 15.796 -4.291 1.00 0.00 C ATOM 500 CD GLU A 36 -3.755 16.533 -4.885 1.00 0.00 C ATOM 501 OE1 GLU A 36 -4.011 16.367 -6.096 1.00 0.00 O ATOM 502 OE2 GLU A 36 -4.428 17.275 -4.138 1.00 0.00 O ATOM 0 H GLU A 36 -2.629 15.293 -1.594 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.900 14.855 -3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.023 13.898 -3.471 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.226 13.812 -4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.197 16.350 -3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.763 15.764 -5.023 1.00 0.00 H new ATOM 509 N PHE A 37 -3.740 12.184 -1.669 1.00 0.00 N ATOM 510 CA PHE A 37 -4.019 10.784 -1.373 1.00 0.00 C ATOM 511 C PHE A 37 -5.284 10.634 -0.530 1.00 0.00 C ATOM 512 O PHE A 37 -6.018 9.656 -0.670 1.00 0.00 O ATOM 513 CB PHE A 37 -2.830 10.151 -0.649 1.00 0.00 C ATOM 514 CG PHE A 37 -3.039 8.707 -0.298 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.950 7.724 -1.269 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.324 8.332 1.005 1.00 0.00 C ATOM 517 CE1 PHE A 37 -3.143 6.394 -0.949 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.518 7.003 1.332 1.00 0.00 C ATOM 519 CZ PHE A 37 -3.426 6.033 0.353 1.00 0.00 C ATOM 0 H PHE A 37 -2.986 12.590 -1.115 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.181 10.268 -2.319 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.944 10.239 -1.278 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.630 10.713 0.263 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.727 8.000 -2.289 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.395 9.087 1.774 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.073 5.638 -1.717 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.741 6.724 2.351 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.575 4.994 0.606 1.00 0.00 H new ATOM 529 N GLN A 38 -5.533 11.604 0.342 1.00 0.00 N ATOM 530 CA GLN A 38 -6.707 11.570 1.209 1.00 0.00 C ATOM 531 C GLN A 38 -7.995 11.715 0.404 1.00 0.00 C ATOM 532 O GLN A 38 -8.943 10.951 0.589 1.00 0.00 O ATOM 533 CB GLN A 38 -6.624 12.676 2.262 1.00 0.00 C ATOM 534 CG GLN A 38 -5.450 12.523 3.214 1.00 0.00 C ATOM 535 CD GLN A 38 -5.438 13.585 4.297 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.488 14.077 4.712 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.247 13.946 4.759 1.00 0.00 N ATOM 0 H GLN A 38 -4.939 12.423 0.468 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.723 10.601 1.708 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.550 13.640 1.759 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.549 12.688 2.838 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.488 11.537 3.677 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.519 12.574 2.649 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.402 13.512 4.386 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.176 14.657 5.487 1.00 0.00 H new ATOM 546 N LEU A 39 -8.023 12.700 -0.486 1.00 0.00 N ATOM 547 CA LEU A 39 -9.197 12.952 -1.314 1.00 0.00 C ATOM 548 C LEU A 39 -9.409 11.834 -2.333 1.00 0.00 C ATOM 549 O LEU A 39 -10.525 11.348 -2.509 1.00 0.00 O ATOM 550 CB LEU A 39 -9.057 14.295 -2.035 1.00 0.00 C ATOM 551 CG LEU A 39 -10.225 14.664 -2.952 1.00 0.00 C ATOM 552 CD1 LEU A 39 -11.508 14.826 -2.150 1.00 0.00 C ATOM 553 CD2 LEU A 39 -9.912 15.936 -3.726 1.00 0.00 C ATOM 0 H LEU A 39 -7.245 13.338 -0.653 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.067 12.983 -0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.939 15.080 -1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.142 14.278 -2.627 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.371 13.853 -3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.326 15.088 -2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.741 13.890 -1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.378 15.616 -1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.753 16.184 -4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.738 16.754 -3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.020 15.782 -4.333 1.00 0.00 H new ATOM 565 N LEU A 40 -8.331 11.436 -3.002 1.00 0.00 N ATOM 566 CA LEU A 40 -8.400 10.379 -4.008 1.00 0.00 C ATOM 567 C LEU A 40 -8.877 9.065 -3.398 1.00 0.00 C ATOM 568 O LEU A 40 -9.745 8.392 -3.956 1.00 0.00 O ATOM 569 CB LEU A 40 -7.029 10.188 -4.667 1.00 0.00 C ATOM 570 CG LEU A 40 -6.949 9.065 -5.705 1.00 0.00 C ATOM 571 CD1 LEU A 40 -6.004 9.450 -6.834 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.492 7.766 -5.056 1.00 0.00 C ATOM 0 H LEU A 40 -7.399 11.829 -2.866 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.123 10.681 -4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.742 11.124 -5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.294 9.991 -3.887 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.945 8.912 -6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.959 8.641 -7.563 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.367 10.356 -7.320 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.008 9.630 -6.429 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.442 6.981 -5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.506 7.908 -4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.201 7.478 -4.279 1.00 0.00 H new ATOM 584 N GLN A 41 -8.308 8.704 -2.253 1.00 0.00 N ATOM 585 CA GLN A 41 -8.668 7.463 -1.576 1.00 0.00 C ATOM 586 C GLN A 41 -10.157 7.422 -1.243 1.00 0.00 C ATOM 587 O GLN A 41 -10.854 6.473 -1.598 1.00 0.00 O ATOM 588 CB GLN A 41 -7.840 7.295 -0.300 1.00 0.00 C ATOM 589 CG GLN A 41 -8.079 5.973 0.413 1.00 0.00 C ATOM 590 CD GLN A 41 -7.191 5.796 1.628 1.00 0.00 C ATOM 591 OE1 GLN A 41 -6.819 6.768 2.286 1.00 0.00 O ATOM 592 NE2 GLN A 41 -6.842 4.551 1.929 1.00 0.00 N ATOM 0 H GLN A 41 -7.595 9.254 -1.774 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.451 6.638 -2.255 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.782 7.377 -0.550 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.070 8.113 0.383 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.123 5.914 0.719 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.904 5.153 -0.283 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.174 3.776 1.356 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.242 4.370 2.734 1.00 0.00 H new ATOM 601 N ARG A 42 -10.639 8.457 -0.561 1.00 0.00 N ATOM 602 CA ARG A 42 -12.045 8.533 -0.174 1.00 0.00 C ATOM 603 C ARG A 42 -12.958 8.608 -1.396 1.00 0.00 C ATOM 604 O ARG A 42 -14.083 8.106 -1.373 1.00 0.00 O ATOM 605 CB ARG A 42 -12.281 9.748 0.724 1.00 0.00 C ATOM 606 CG ARG A 42 -13.722 9.891 1.191 1.00 0.00 C ATOM 607 CD ARG A 42 -13.892 11.076 2.126 1.00 0.00 C ATOM 608 NE ARG A 42 -15.273 11.224 2.577 1.00 0.00 N ATOM 609 CZ ARG A 42 -15.633 11.962 3.622 1.00 0.00 C ATOM 610 NH1 ARG A 42 -14.717 12.611 4.329 1.00 0.00 N ATOM 611 NH2 ARG A 42 -16.910 12.050 3.964 1.00 0.00 N ATOM 0 H ARG A 42 -10.077 9.255 -0.265 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.287 7.623 0.375 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.631 9.676 1.596 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.992 10.650 0.184 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.375 10.012 0.327 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.033 8.978 1.699 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.240 10.952 2.990 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.577 11.987 1.617 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.003 10.733 2.061 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.732 12.545 4.071 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.997 13.176 5.130 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.618 11.551 3.425 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.185 12.617 4.766 1.00 0.00 H new ATOM 625 N ASN A 43 -12.471 9.239 -2.460 1.00 0.00 N ATOM 626 CA ASN A 43 -13.250 9.389 -3.686 1.00 0.00 C ATOM 627 C ASN A 43 -13.655 8.035 -4.262 1.00 0.00 C ATOM 628 O ASN A 43 -14.815 7.826 -4.618 1.00 0.00 O ATOM 629 CB ASN A 43 -12.459 10.180 -4.726 1.00 0.00 C ATOM 630 CG ASN A 43 -13.275 10.470 -5.971 1.00 0.00 C ATOM 631 OD1 ASN A 43 -13.297 9.677 -6.911 1.00 0.00 O ATOM 632 ND2 ASN A 43 -13.951 11.614 -5.980 1.00 0.00 N ATOM 0 H ASN A 43 -11.540 9.655 -2.499 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.159 9.935 -3.433 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.124 11.120 -4.287 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.565 9.621 -5.002 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.518 11.865 -6.790 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.903 12.241 -5.177 1.00 0.00 H new ATOM 639 N PHE A 44 -12.696 7.120 -4.356 1.00 0.00 N ATOM 640 CA PHE A 44 -12.964 5.792 -4.898 1.00 0.00 C ATOM 641 C PHE A 44 -13.654 4.902 -3.869 1.00 0.00 C ATOM 642 O PHE A 44 -14.572 4.155 -4.203 1.00 0.00 O ATOM 643 CB PHE A 44 -11.669 5.136 -5.376 1.00 0.00 C ATOM 644 CG PHE A 44 -11.184 5.670 -6.693 1.00 0.00 C ATOM 645 CD1 PHE A 44 -11.649 5.133 -7.883 1.00 0.00 C ATOM 646 CD2 PHE A 44 -10.268 6.709 -6.742 1.00 0.00 C ATOM 647 CE1 PHE A 44 -11.209 5.623 -9.099 1.00 0.00 C ATOM 648 CE2 PHE A 44 -9.825 7.203 -7.954 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.295 6.659 -9.133 1.00 0.00 C ATOM 0 H PHE A 44 -11.730 7.272 -4.065 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.635 5.911 -5.749 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.895 5.286 -4.624 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.825 4.061 -5.463 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -12.363 4.323 -7.860 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.896 7.137 -5.823 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -11.579 5.197 -10.020 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.112 8.014 -7.979 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.949 7.043 -10.081 1.00 0.00 H new ATOM 659 N MET A 45 -13.209 4.987 -2.619 1.00 0.00 N ATOM 660 CA MET A 45 -13.790 4.188 -1.544 1.00 0.00 C ATOM 661 C MET A 45 -15.288 4.445 -1.417 1.00 0.00 C ATOM 662 O MET A 45 -16.032 3.596 -0.926 1.00 0.00 O ATOM 663 CB MET A 45 -13.096 4.493 -0.215 1.00 0.00 C ATOM 664 CG MET A 45 -11.700 3.902 -0.102 1.00 0.00 C ATOM 665 SD MET A 45 -10.941 4.214 1.504 1.00 0.00 S ATOM 666 CE MET A 45 -12.113 3.415 2.599 1.00 0.00 C ATOM 0 H MET A 45 -12.449 5.600 -2.325 1.00 0.00 H new ATOM 0 HA MET A 45 -13.640 3.137 -1.792 1.00 0.00 H new ATOM 0 HB2 MET A 45 -13.034 5.574 -0.088 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.709 4.111 0.601 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.750 2.827 -0.273 1.00 0.00 H new ATOM 0 HG3 MET A 45 -11.068 4.320 -0.885 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.619 3.158 3.536 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.943 4.092 2.800 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.491 2.508 2.128 1.00 0.00 H new ATOM 676 N ASP A 46 -15.725 5.618 -1.863 1.00 0.00 N ATOM 677 CA ASP A 46 -17.136 5.987 -1.795 1.00 0.00 C ATOM 678 C ASP A 46 -17.991 5.049 -2.643 1.00 0.00 C ATOM 679 O ASP A 46 -19.153 4.798 -2.327 1.00 0.00 O ATOM 680 CB ASP A 46 -17.333 7.433 -2.256 1.00 0.00 C ATOM 681 CG ASP A 46 -18.790 7.853 -2.234 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.274 8.265 -1.159 1.00 0.00 O ATOM 683 OD2 ASP A 46 -19.449 7.769 -3.293 1.00 0.00 O ATOM 0 H ASP A 46 -15.123 6.330 -2.276 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.455 5.898 -0.757 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.756 8.098 -1.613 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.940 7.546 -3.266 1.00 0.00 H new ATOM 688 N LYS A 47 -17.410 4.539 -3.723 1.00 0.00 N ATOM 689 CA LYS A 47 -18.120 3.629 -4.617 1.00 0.00 C ATOM 690 C LYS A 47 -17.810 2.176 -4.276 1.00 0.00 C ATOM 691 O LYS A 47 -18.700 1.327 -4.247 1.00 0.00 O ATOM 692 CB LYS A 47 -17.729 3.908 -6.068 1.00 0.00 C ATOM 693 CG LYS A 47 -18.671 3.288 -7.086 1.00 0.00 C ATOM 694 CD LYS A 47 -20.051 3.926 -7.034 1.00 0.00 C ATOM 695 CE LYS A 47 -20.988 3.312 -8.062 1.00 0.00 C ATOM 696 NZ LYS A 47 -21.196 1.858 -7.822 1.00 0.00 N ATOM 0 H LYS A 47 -16.449 4.740 -4.002 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.190 3.796 -4.489 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.697 4.986 -6.225 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.721 3.531 -6.242 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -18.254 3.404 -8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.757 2.218 -6.898 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.473 3.803 -6.036 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.965 4.998 -7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -21.948 3.826 -8.031 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -20.579 3.460 -9.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -21.998 1.523 -8.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -20.337 1.336 -8.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -21.399 1.698 -6.815 1.00 0.00 H new ATOM 710 N TYR A 48 -16.535 1.901 -4.032 1.00 0.00 N ATOM 711 CA TYR A 48 -16.088 0.553 -3.696 1.00 0.00 C ATOM 712 C TYR A 48 -16.844 -0.013 -2.495 1.00 0.00 C ATOM 713 O TYR A 48 -17.381 -1.118 -2.558 1.00 0.00 O ATOM 714 CB TYR A 48 -14.585 0.549 -3.407 1.00 0.00 C ATOM 715 CG TYR A 48 -13.719 0.503 -4.648 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.819 1.483 -5.630 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.799 -0.521 -4.836 1.00 0.00 C ATOM 718 CE1 TYR A 48 -13.027 1.441 -6.763 1.00 0.00 C ATOM 719 CE2 TYR A 48 -12.003 -0.569 -5.966 1.00 0.00 C ATOM 720 CZ TYR A 48 -12.121 0.414 -6.925 1.00 0.00 C ATOM 721 OH TYR A 48 -11.331 0.371 -8.051 1.00 0.00 O ATOM 0 H TYR A 48 -15.789 2.596 -4.060 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.297 -0.083 -4.556 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.333 1.441 -2.834 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.348 -0.310 -2.779 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.526 2.290 -5.506 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.704 -1.293 -4.087 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.118 2.209 -7.517 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.293 -1.372 -6.096 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.821 0.753 -8.809 1.00 0.00 H new ATOM 731 N TYR A 49 -16.889 0.750 -1.405 1.00 0.00 N ATOM 732 CA TYR A 49 -17.568 0.307 -0.189 1.00 0.00 C ATOM 733 C TYR A 49 -19.034 -0.030 -0.461 1.00 0.00 C ATOM 734 O TYR A 49 -19.671 -0.735 0.323 1.00 0.00 O ATOM 735 CB TYR A 49 -17.446 1.371 0.912 1.00 0.00 C ATOM 736 CG TYR A 49 -18.688 2.215 1.117 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.928 3.338 0.336 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.613 1.893 2.102 1.00 0.00 C ATOM 739 CE1 TYR A 49 -20.055 4.115 0.529 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.744 2.663 2.300 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.959 3.773 1.512 1.00 0.00 C ATOM 742 OH TYR A 49 -22.081 4.543 1.707 1.00 0.00 O ATOM 0 H TYR A 49 -16.465 1.675 -1.339 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.080 -0.605 0.156 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.201 0.876 1.851 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.611 2.029 0.671 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -18.222 3.609 -0.435 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.446 1.026 2.724 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -20.226 4.985 -0.087 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.455 2.396 3.068 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.615 4.165 2.437 1.00 0.00 H new ATOM 752 N LEU A 50 -19.563 0.473 -1.571 1.00 0.00 N ATOM 753 CA LEU A 50 -20.951 0.213 -1.939 1.00 0.00 C ATOM 754 C LEU A 50 -21.087 -1.153 -2.603 1.00 0.00 C ATOM 755 O LEU A 50 -21.989 -1.925 -2.279 1.00 0.00 O ATOM 756 CB LEU A 50 -21.470 1.302 -2.880 1.00 0.00 C ATOM 757 CG LEU A 50 -21.689 2.670 -2.233 1.00 0.00 C ATOM 758 CD1 LEU A 50 -22.011 3.714 -3.291 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.803 2.597 -1.201 1.00 0.00 C ATOM 0 H LEU A 50 -19.054 1.062 -2.230 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.548 0.220 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.764 1.416 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.413 0.967 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.769 2.964 -1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -22.164 4.682 -2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -21.183 3.785 -3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.917 3.425 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.946 3.579 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.727 2.282 -1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.535 1.878 -0.427 1.00 0.00 H new ATOM 771 N GLU A 51 -20.183 -1.441 -3.535 1.00 0.00 N ATOM 772 CA GLU A 51 -20.200 -2.712 -4.249 1.00 0.00 C ATOM 773 C GLU A 51 -19.885 -3.873 -3.310 1.00 0.00 C ATOM 774 O GLU A 51 -20.405 -4.976 -3.477 1.00 0.00 O ATOM 775 CB GLU A 51 -19.190 -2.684 -5.399 1.00 0.00 C ATOM 776 CG GLU A 51 -19.450 -1.582 -6.414 1.00 0.00 C ATOM 777 CD GLU A 51 -20.745 -1.782 -7.177 1.00 0.00 C ATOM 778 OE1 GLU A 51 -21.806 -1.362 -6.668 1.00 0.00 O ATOM 779 OE2 GLU A 51 -20.698 -2.358 -8.284 1.00 0.00 O ATOM 0 H GLU A 51 -19.430 -0.811 -3.813 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.202 -2.860 -4.653 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.188 -2.558 -4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.207 -3.647 -5.909 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.480 -0.621 -5.901 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.620 -1.541 -7.120 1.00 0.00 H new ATOM 786 N PHE A 52 -19.039 -3.616 -2.316 1.00 0.00 N ATOM 787 CA PHE A 52 -18.657 -4.647 -1.357 1.00 0.00 C ATOM 788 C PHE A 52 -19.667 -4.740 -0.221 1.00 0.00 C ATOM 789 O PHE A 52 -19.457 -4.193 0.862 1.00 0.00 O ATOM 790 CB PHE A 52 -17.258 -4.373 -0.801 1.00 0.00 C ATOM 791 CG PHE A 52 -16.155 -4.718 -1.763 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.870 -3.893 -2.838 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.407 -5.873 -1.592 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.858 -4.210 -3.724 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.394 -6.195 -2.476 1.00 0.00 C ATOM 796 CZ PHE A 52 -14.120 -5.363 -3.543 1.00 0.00 C ATOM 0 H PHE A 52 -18.607 -2.706 -2.154 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.645 -5.603 -1.881 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.181 -3.319 -0.534 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.122 -4.945 0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.445 -2.991 -2.986 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.618 -6.528 -0.760 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.645 -3.557 -4.557 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.817 -7.097 -2.332 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.330 -5.613 -4.235 1.00 0.00 H new ATOM 806 N GLU A 53 -20.771 -5.431 -0.485 1.00 0.00 N ATOM 807 CA GLU A 53 -21.821 -5.609 0.509 1.00 0.00 C ATOM 808 C GLU A 53 -21.492 -6.778 1.432 1.00 0.00 C ATOM 809 O GLU A 53 -20.579 -7.555 1.155 1.00 0.00 O ATOM 810 CB GLU A 53 -23.167 -5.844 -0.182 1.00 0.00 C ATOM 811 CG GLU A 53 -23.619 -4.674 -1.041 1.00 0.00 C ATOM 812 CD GLU A 53 -24.920 -4.952 -1.770 1.00 0.00 C ATOM 813 OE1 GLU A 53 -25.994 -4.704 -1.184 1.00 0.00 O ATOM 814 OE2 GLU A 53 -24.863 -5.418 -2.927 1.00 0.00 O ATOM 0 H GLU A 53 -20.961 -5.878 -1.382 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.886 -4.702 1.110 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.096 -6.736 -0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.925 -6.043 0.575 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.741 -3.792 -0.412 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.842 -4.441 -1.769 1.00 0.00 H new ATOM 821 N ASP A 54 -22.241 -6.901 2.523 1.00 0.00 N ATOM 822 CA ASP A 54 -22.024 -7.968 3.486 1.00 0.00 C ATOM 823 C ASP A 54 -22.547 -9.307 2.967 1.00 0.00 C ATOM 824 O ASP A 54 -22.883 -10.197 3.750 1.00 0.00 O ATOM 825 CB ASP A 54 -22.712 -7.613 4.801 1.00 0.00 C ATOM 826 CG ASP A 54 -24.184 -7.298 4.618 1.00 0.00 C ATOM 827 OD1 ASP A 54 -24.507 -6.132 4.313 1.00 0.00 O ATOM 828 OD2 ASP A 54 -25.012 -8.219 4.781 1.00 0.00 O ATOM 0 H ASP A 54 -23.007 -6.270 2.761 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.951 -8.071 3.646 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -22.605 -8.443 5.499 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -22.213 -6.754 5.249 1.00 0.00 H new ATOM 833 N THR A 55 -22.610 -9.447 1.646 1.00 0.00 N ATOM 834 CA THR A 55 -23.089 -10.678 1.031 1.00 0.00 C ATOM 835 C THR A 55 -22.087 -11.813 1.220 1.00 0.00 C ATOM 836 O THR A 55 -20.921 -11.578 1.534 1.00 0.00 O ATOM 837 CB THR A 55 -23.355 -10.489 -0.475 1.00 0.00 C ATOM 838 OG1 THR A 55 -22.175 -10.002 -1.124 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.504 -9.518 -0.702 1.00 0.00 C ATOM 0 H THR A 55 -22.335 -8.723 0.982 1.00 0.00 H new ATOM 0 HA THR A 55 -24.025 -10.935 1.528 1.00 0.00 H new ATOM 0 HB THR A 55 -23.628 -11.456 -0.899 1.00 0.00 H new ATOM 0 HG1 THR A 55 -22.352 -9.886 -2.081 1.00 0.00 H new ATOM 0 HG21 THR A 55 -24.674 -9.400 -1.772 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.407 -9.907 -0.232 1.00 0.00 H new ATOM 0 HG23 THR A 55 -24.255 -8.551 -0.265 1.00 0.00 H new ATOM 847 N GLU A 56 -22.553 -13.042 1.027 1.00 0.00 N ATOM 848 CA GLU A 56 -21.700 -14.216 1.176 1.00 0.00 C ATOM 849 C GLU A 56 -21.352 -14.811 -0.184 1.00 0.00 C ATOM 850 O GLU A 56 -20.237 -15.289 -0.395 1.00 0.00 O ATOM 851 CB GLU A 56 -22.391 -15.269 2.044 1.00 0.00 C ATOM 852 CG GLU A 56 -22.734 -14.775 3.440 1.00 0.00 C ATOM 853 CD GLU A 56 -23.439 -15.827 4.273 1.00 0.00 C ATOM 854 OE1 GLU A 56 -22.744 -16.611 4.952 1.00 0.00 O ATOM 855 OE2 GLU A 56 -24.687 -15.867 4.246 1.00 0.00 O ATOM 0 H GLU A 56 -23.517 -13.251 0.767 1.00 0.00 H new ATOM 0 HA GLU A 56 -20.777 -13.903 1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -23.305 -15.594 1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -21.744 -16.143 2.125 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -21.820 -14.467 3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -23.369 -13.892 3.363 1.00 0.00 H new ATOM 862 N GLU A 57 -22.313 -14.778 -1.102 1.00 0.00 N ATOM 863 CA GLU A 57 -22.108 -15.312 -2.443 1.00 0.00 C ATOM 864 C GLU A 57 -21.095 -14.469 -3.209 1.00 0.00 C ATOM 865 O GLU A 57 -21.224 -13.247 -3.287 1.00 0.00 O ATOM 866 CB GLU A 57 -23.434 -15.362 -3.206 1.00 0.00 C ATOM 867 CG GLU A 57 -23.308 -15.935 -4.608 1.00 0.00 C ATOM 868 CD GLU A 57 -24.646 -16.059 -5.310 1.00 0.00 C ATOM 869 OE1 GLU A 57 -25.076 -15.075 -5.948 1.00 0.00 O ATOM 870 OE2 GLU A 57 -25.264 -17.141 -5.224 1.00 0.00 O ATOM 0 H GLU A 57 -23.241 -14.387 -0.941 1.00 0.00 H new ATOM 0 HA GLU A 57 -21.717 -16.325 -2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -24.147 -15.962 -2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -23.845 -14.355 -3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -22.650 -15.298 -5.199 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -22.838 -16.917 -4.554 1.00 0.00 H new ATOM 877 N ASN A 58 -20.088 -15.128 -3.773 1.00 0.00 N ATOM 878 CA ASN A 58 -19.052 -14.436 -4.532 1.00 0.00 C ATOM 879 C ASN A 58 -19.525 -14.130 -5.950 1.00 0.00 C ATOM 880 O ASN A 58 -20.347 -14.856 -6.511 1.00 0.00 O ATOM 881 CB ASN A 58 -17.774 -15.276 -4.577 1.00 0.00 C ATOM 882 CG ASN A 58 -17.968 -16.594 -5.302 1.00 0.00 C ATOM 883 OD1 ASN A 58 -19.054 -17.172 -5.285 1.00 0.00 O ATOM 884 ND2 ASN A 58 -16.910 -17.074 -5.945 1.00 0.00 N ATOM 0 H ASN A 58 -19.967 -16.139 -3.719 1.00 0.00 H new ATOM 0 HA ASN A 58 -18.840 -13.492 -4.029 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -16.986 -14.707 -5.071 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.436 -15.472 -3.559 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.978 -17.956 -6.452 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -16.029 -16.560 -5.932 1.00 0.00 H new ATOM 891 N LYS A 59 -19.001 -13.050 -6.521 1.00 0.00 N ATOM 892 CA LYS A 59 -19.365 -12.644 -7.874 1.00 0.00 C ATOM 893 C LYS A 59 -18.120 -12.407 -8.722 1.00 0.00 C ATOM 894 O LYS A 59 -17.020 -12.241 -8.195 1.00 0.00 O ATOM 895 CB LYS A 59 -20.215 -11.373 -7.837 1.00 0.00 C ATOM 896 CG LYS A 59 -21.485 -11.508 -7.015 1.00 0.00 C ATOM 897 CD LYS A 59 -22.250 -10.195 -6.956 1.00 0.00 C ATOM 898 CE LYS A 59 -23.512 -10.323 -6.120 1.00 0.00 C ATOM 899 NZ LYS A 59 -24.241 -9.030 -6.012 1.00 0.00 N ATOM 0 H LYS A 59 -18.322 -12.439 -6.067 1.00 0.00 H new ATOM 0 HA LYS A 59 -19.945 -13.449 -8.324 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.616 -10.558 -7.431 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.481 -11.095 -8.857 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.120 -12.281 -7.448 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.234 -11.830 -6.004 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -21.611 -9.419 -6.535 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -22.512 -9.880 -7.966 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -24.167 -11.073 -6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -23.252 -10.677 -5.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -25.096 -9.161 -5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.626 -8.321 -5.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.512 -8.704 -6.962 1.00 0.00 H new ATOM 913 N LEU A 60 -18.300 -12.396 -10.038 1.00 0.00 N ATOM 914 CA LEU A 60 -17.190 -12.179 -10.958 1.00 0.00 C ATOM 915 C LEU A 60 -16.857 -10.693 -11.074 1.00 0.00 C ATOM 916 O LEU A 60 -15.821 -10.324 -11.626 1.00 0.00 O ATOM 917 CB LEU A 60 -17.519 -12.753 -12.342 1.00 0.00 C ATOM 918 CG LEU A 60 -17.517 -14.285 -12.446 1.00 0.00 C ATOM 919 CD1 LEU A 60 -16.181 -14.857 -11.994 1.00 0.00 C ATOM 920 CD2 LEU A 60 -18.657 -14.885 -11.635 1.00 0.00 C ATOM 0 H LEU A 60 -19.203 -12.535 -10.491 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.318 -12.697 -10.559 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -18.501 -12.388 -12.642 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.800 -12.358 -13.059 1.00 0.00 H new ATOM 0 HG LEU A 60 -17.666 -14.551 -13.493 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -16.204 -15.944 -12.077 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.384 -14.462 -12.624 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.997 -14.576 -10.957 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -18.635 -15.971 -11.724 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -18.545 -14.605 -10.588 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -19.608 -14.509 -12.012 1.00 0.00 H new ATOM 932 N ILE A 61 -17.740 -9.847 -10.549 1.00 0.00 N ATOM 933 CA ILE A 61 -17.542 -8.401 -10.596 1.00 0.00 C ATOM 934 C ILE A 61 -16.410 -7.967 -9.666 1.00 0.00 C ATOM 935 O ILE A 61 -15.878 -6.858 -9.782 1.00 0.00 O ATOM 936 CB ILE A 61 -18.837 -7.651 -10.214 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.675 -6.142 -10.418 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.222 -7.957 -8.773 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.469 -5.741 -11.864 1.00 0.00 C ATOM 0 H ILE A 61 -18.601 -10.139 -10.086 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.273 -8.146 -11.621 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.637 -7.997 -10.869 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.560 -5.635 -10.032 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.826 -5.794 -9.829 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.137 -7.421 -8.519 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.386 -9.029 -8.660 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.419 -7.641 -8.107 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.362 -4.658 -11.930 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.568 -6.218 -12.249 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.328 -6.057 -12.455 1.00 0.00 H new ATOM 951 N TYR A 62 -16.034 -8.852 -8.750 1.00 0.00 N ATOM 952 CA TYR A 62 -14.967 -8.561 -7.802 1.00 0.00 C ATOM 953 C TYR A 62 -13.602 -8.562 -8.487 1.00 0.00 C ATOM 954 O TYR A 62 -12.640 -7.999 -7.966 1.00 0.00 O ATOM 955 CB TYR A 62 -14.983 -9.577 -6.658 1.00 0.00 C ATOM 956 CG TYR A 62 -16.137 -9.388 -5.697 1.00 0.00 C ATOM 957 CD1 TYR A 62 -17.357 -10.017 -5.909 1.00 0.00 C ATOM 958 CD2 TYR A 62 -16.003 -8.577 -4.576 1.00 0.00 C ATOM 959 CE1 TYR A 62 -18.411 -9.846 -5.033 1.00 0.00 C ATOM 960 CE2 TYR A 62 -17.054 -8.402 -3.694 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.255 -9.038 -3.928 1.00 0.00 C ATOM 962 OH TYR A 62 -19.302 -8.865 -3.051 1.00 0.00 O ATOM 0 H TYR A 62 -16.452 -9.776 -8.644 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.141 -7.564 -7.397 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.030 -10.582 -7.076 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -14.046 -9.505 -6.106 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -17.484 -10.651 -6.774 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -15.064 -8.076 -4.391 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -19.353 -10.343 -5.213 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -16.935 -7.770 -2.826 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.026 -8.267 -2.326 1.00 0.00 H new ATOM 972 N THR A 63 -13.521 -9.193 -9.657 1.00 0.00 N ATOM 973 CA THR A 63 -12.264 -9.257 -10.397 1.00 0.00 C ATOM 974 C THR A 63 -11.947 -7.923 -11.084 1.00 0.00 C ATOM 975 O THR A 63 -10.852 -7.388 -10.907 1.00 0.00 O ATOM 976 CB THR A 63 -12.267 -10.394 -11.441 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.577 -11.639 -10.804 1.00 0.00 O ATOM 978 CG2 THR A 63 -10.918 -10.500 -12.134 1.00 0.00 C ATOM 0 H THR A 63 -14.305 -9.664 -10.109 1.00 0.00 H new ATOM 0 HA THR A 63 -11.485 -9.467 -9.664 1.00 0.00 H new ATOM 0 HB THR A 63 -13.025 -10.166 -12.190 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.579 -12.356 -11.472 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.947 -11.308 -12.865 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.694 -9.561 -12.640 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.144 -10.707 -11.395 1.00 0.00 H new ATOM 986 N PRO A 64 -12.885 -7.356 -11.879 1.00 0.00 N ATOM 987 CA PRO A 64 -12.659 -6.074 -12.558 1.00 0.00 C ATOM 988 C PRO A 64 -12.469 -4.933 -11.566 1.00 0.00 C ATOM 989 O PRO A 64 -11.601 -4.078 -11.750 1.00 0.00 O ATOM 990 CB PRO A 64 -13.934 -5.859 -13.385 1.00 0.00 C ATOM 991 CG PRO A 64 -14.565 -7.205 -13.478 1.00 0.00 C ATOM 992 CD PRO A 64 -14.214 -7.905 -12.199 1.00 0.00 C ATOM 0 HA PRO A 64 -11.753 -6.091 -13.164 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.600 -5.143 -12.904 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.701 -5.463 -14.374 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.645 -7.124 -13.597 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -14.190 -7.755 -14.341 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.938 -7.696 -11.412 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.185 -8.987 -12.325 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.287 -4.921 -10.514 1.00 0.00 N ATOM 1001 CA ILE A 65 -13.197 -3.884 -9.493 1.00 0.00 C ATOM 1002 C ILE A 65 -11.840 -3.921 -8.798 1.00 0.00 C ATOM 1003 O ILE A 65 -11.215 -2.883 -8.582 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.311 -4.028 -8.435 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.684 -3.838 -9.082 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -14.106 -3.025 -7.305 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.840 -4.068 -8.132 1.00 0.00 C ATOM 0 H ILE A 65 -14.016 -5.615 -10.349 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.319 -2.928 -10.002 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.264 -5.032 -8.013 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.750 -2.827 -9.483 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.776 -4.522 -9.926 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.900 -3.140 -6.568 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -13.141 -3.204 -6.830 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -14.129 -2.013 -7.708 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.781 -3.916 -8.660 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.799 -5.088 -7.750 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.773 -3.366 -7.301 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.389 -5.122 -8.450 1.00 0.00 N ATOM 1020 CA PHE A 66 -10.105 -5.287 -7.780 1.00 0.00 C ATOM 1021 C PHE A 66 -8.968 -4.797 -8.670 1.00 0.00 C ATOM 1022 O PHE A 66 -8.071 -4.091 -8.212 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.880 -6.753 -7.401 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.589 -6.989 -6.672 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.483 -6.712 -5.317 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.480 -7.483 -7.340 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.294 -6.924 -4.644 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.289 -7.696 -6.672 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.196 -7.416 -5.323 1.00 0.00 C ATOM 0 H PHE A 66 -11.892 -5.993 -8.620 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.119 -4.688 -6.869 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.708 -7.090 -6.777 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.894 -7.361 -8.306 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.338 -6.327 -4.782 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.547 -7.704 -8.395 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.224 -6.705 -3.589 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.432 -8.081 -7.205 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.266 -7.581 -4.799 1.00 0.00 H new ATOM 1039 N ASN A 67 -9.015 -5.178 -9.944 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.991 -4.777 -10.901 1.00 0.00 C ATOM 1041 C ASN A 67 -7.899 -3.257 -10.997 1.00 0.00 C ATOM 1042 O ASN A 67 -6.819 -2.703 -11.207 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.288 -5.373 -12.279 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.292 -6.889 -12.264 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.571 -7.516 -11.487 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -9.108 -7.486 -13.125 1.00 0.00 N ATOM 0 H ASN A 67 -9.752 -5.764 -10.336 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.032 -5.157 -10.549 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.256 -5.013 -12.626 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.543 -5.021 -12.992 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.155 -8.504 -13.161 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.688 -6.926 -13.750 1.00 0.00 H new ATOM 1053 N GLU A 68 -9.038 -2.587 -10.843 1.00 0.00 N ATOM 1054 CA GLU A 68 -9.084 -1.129 -10.906 1.00 0.00 C ATOM 1055 C GLU A 68 -8.368 -0.518 -9.707 1.00 0.00 C ATOM 1056 O GLU A 68 -7.674 0.491 -9.832 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.534 -0.645 -10.951 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.671 0.868 -11.017 1.00 0.00 C ATOM 1059 CD GLU A 68 -12.109 1.315 -11.186 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -12.560 1.440 -12.345 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -12.786 1.542 -10.161 1.00 0.00 O ATOM 0 H GLU A 68 -9.941 -3.030 -10.674 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.576 -0.809 -11.816 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.028 -1.084 -11.818 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.057 -1.010 -10.067 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.263 1.306 -10.106 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.076 1.247 -11.848 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.547 -1.139 -8.547 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.919 -0.671 -7.315 1.00 0.00 C ATOM 1070 C TYR A 69 -6.400 -0.768 -7.415 1.00 0.00 C ATOM 1071 O TYR A 69 -5.672 0.064 -6.873 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.419 -1.502 -6.132 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.965 -0.989 -4.787 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.661 0.026 -4.143 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.848 -1.522 -4.157 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -8.255 0.496 -2.908 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -6.435 -1.057 -2.923 1.00 0.00 C ATOM 1078 CZ TYR A 69 -7.141 -0.048 -2.304 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.734 0.416 -1.073 1.00 0.00 O ATOM 0 H TYR A 69 -9.125 -1.972 -8.433 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.188 0.374 -7.162 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.509 -1.525 -6.152 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.076 -2.530 -6.252 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.533 0.455 -4.614 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.293 -2.313 -4.639 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.807 1.285 -2.419 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.564 -1.482 -2.446 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.934 -0.073 -0.787 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.934 -1.794 -8.114 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.507 -2.020 -8.293 1.00 0.00 C ATOM 1091 C ILE A 70 -3.900 -1.025 -9.278 1.00 0.00 C ATOM 1092 O ILE A 70 -2.883 -0.397 -8.995 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.239 -3.454 -8.790 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.821 -4.476 -7.807 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.747 -3.681 -8.988 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.200 -4.424 -6.425 1.00 0.00 C ATOM 0 H ILE A 70 -6.528 -2.487 -8.569 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.037 -1.878 -7.320 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.732 -3.586 -9.753 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.895 -4.309 -7.718 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.687 -5.477 -8.217 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.577 -4.699 -9.339 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.366 -2.975 -9.726 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.228 -3.532 -8.041 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.665 -5.177 -5.789 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.131 -4.622 -6.499 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.357 -3.436 -5.992 1.00 0.00 H new ATOM 1108 N SER A 71 -4.532 -0.881 -10.435 1.00 0.00 N ATOM 1109 CA SER A 71 -4.037 0.026 -11.462 1.00 0.00 C ATOM 1110 C SER A 71 -4.121 1.484 -11.017 1.00 0.00 C ATOM 1111 O SER A 71 -3.317 2.315 -11.440 1.00 0.00 O ATOM 1112 CB SER A 71 -4.824 -0.172 -12.759 1.00 0.00 C ATOM 1113 OG SER A 71 -6.203 0.089 -12.565 1.00 0.00 O ATOM 0 H SER A 71 -5.386 -1.379 -10.686 1.00 0.00 H new ATOM 0 HA SER A 71 -2.986 -0.209 -11.634 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.431 0.490 -13.531 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.691 -1.193 -13.116 1.00 0.00 H new ATOM 0 HG SER A 71 -6.386 0.184 -11.607 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.101 1.796 -10.176 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.285 3.164 -9.697 1.00 0.00 C ATOM 1121 C LEU A 72 -4.508 3.441 -8.407 1.00 0.00 C ATOM 1122 O LEU A 72 -3.609 4.283 -8.383 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.781 3.440 -9.486 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.167 4.889 -9.144 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.976 5.168 -7.660 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -6.367 5.880 -9.982 1.00 0.00 C ATOM 0 H LEU A 72 -5.778 1.125 -9.813 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.887 3.836 -10.458 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.313 3.149 -10.392 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.138 2.793 -8.685 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.223 5.016 -9.382 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.256 6.199 -7.445 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.604 4.493 -7.079 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.931 5.012 -7.392 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.659 6.897 -9.720 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.303 5.747 -9.786 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.566 5.706 -11.039 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.856 2.725 -7.340 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.223 2.924 -6.036 1.00 0.00 C ATOM 1140 C VAL A 73 -2.796 2.379 -5.971 1.00 0.00 C ATOM 1141 O VAL A 73 -1.851 3.132 -5.729 1.00 0.00 O ATOM 1142 CB VAL A 73 -5.058 2.284 -4.909 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.435 2.561 -3.549 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.491 2.794 -4.957 1.00 0.00 C ATOM 0 H VAL A 73 -5.574 2.000 -7.352 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.174 4.004 -5.896 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.069 1.205 -5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.042 2.100 -2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.428 2.145 -3.519 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.388 3.637 -3.383 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.068 2.333 -4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.496 3.877 -4.832 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.936 2.538 -5.918 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.639 1.074 -6.178 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.318 0.448 -6.108 1.00 0.00 C ATOM 1156 C GLU A 74 -0.306 1.172 -6.994 1.00 0.00 C ATOM 1157 O GLU A 74 0.851 1.348 -6.608 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.394 -1.031 -6.497 1.00 0.00 C ATOM 1159 CG GLU A 74 -0.100 -1.790 -6.253 1.00 0.00 C ATOM 1160 CD GLU A 74 -0.204 -3.255 -6.627 1.00 0.00 C ATOM 1161 OE1 GLU A 74 -0.619 -4.060 -5.767 1.00 0.00 O ATOM 1162 OE2 GLU A 74 0.132 -3.599 -7.780 1.00 0.00 O ATOM 0 H GLU A 74 -3.402 0.432 -6.394 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.979 0.523 -5.075 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.196 -1.506 -5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.658 -1.108 -7.552 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.702 -1.328 -6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.173 -1.706 -5.201 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.740 1.597 -8.177 1.00 0.00 N ATOM 1170 CA LYS A 75 0.148 2.304 -9.094 1.00 0.00 C ATOM 1171 C LYS A 75 0.419 3.722 -8.605 1.00 0.00 C ATOM 1172 O LYS A 75 1.495 4.269 -8.838 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.439 2.340 -10.506 1.00 0.00 C ATOM 1174 CG LYS A 75 -0.448 0.985 -11.196 1.00 0.00 C ATOM 1175 CD LYS A 75 -0.733 1.118 -12.684 1.00 0.00 C ATOM 1176 CE LYS A 75 -0.652 -0.226 -13.390 1.00 0.00 C ATOM 1177 NZ LYS A 75 -0.950 -0.109 -14.845 1.00 0.00 N ATOM 0 H LYS A 75 -1.691 1.466 -8.521 1.00 0.00 H new ATOM 0 HA LYS A 75 1.092 1.760 -9.124 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.459 2.720 -10.457 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.134 3.043 -11.111 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.515 0.496 -11.051 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.202 0.346 -10.736 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.725 1.547 -12.829 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.019 1.809 -13.132 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.345 -0.647 -13.256 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.355 -0.920 -12.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.884 -1.047 -15.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.911 0.268 -14.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.263 0.533 -15.289 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.562 4.317 -7.931 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.411 5.669 -7.405 1.00 0.00 C ATOM 1193 C TYR A 76 0.778 5.742 -6.452 1.00 0.00 C ATOM 1194 O TYR A 76 1.535 6.712 -6.457 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.688 6.107 -6.683 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.631 7.519 -6.140 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.855 8.613 -6.968 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.353 7.758 -4.800 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.802 9.905 -6.475 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -1.300 9.045 -4.299 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.525 10.114 -5.141 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.474 11.398 -4.648 1.00 0.00 O ATOM 0 H TYR A 76 -1.466 3.886 -7.737 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.231 6.344 -8.242 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.529 6.027 -7.372 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.883 5.419 -5.860 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.074 8.452 -8.013 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.175 6.923 -4.138 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.977 10.745 -7.132 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.084 9.213 -3.254 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.269 11.373 -3.690 1.00 0.00 H new ATOM 1212 N ILE A 77 0.939 4.700 -5.642 1.00 0.00 N ATOM 1213 CA ILE A 77 2.033 4.635 -4.681 1.00 0.00 C ATOM 1214 C ILE A 77 3.369 4.410 -5.380 1.00 0.00 C ATOM 1215 O ILE A 77 4.332 5.142 -5.151 1.00 0.00 O ATOM 1216 CB ILE A 77 1.810 3.506 -3.656 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.461 3.679 -2.956 1.00 0.00 C ATOM 1218 CG2 ILE A 77 2.942 3.484 -2.637 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.058 2.487 -2.113 1.00 0.00 C ATOM 0 H ILE A 77 0.323 3.887 -5.633 1.00 0.00 H new ATOM 0 HA ILE A 77 2.055 5.593 -4.162 1.00 0.00 H new ATOM 0 HB ILE A 77 1.803 2.553 -4.185 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.501 4.565 -2.322 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.308 3.859 -3.707 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.770 2.681 -1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.889 3.316 -3.149 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.977 4.438 -2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.908 2.681 -1.647 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.015 1.602 -2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.807 2.319 -1.339 1.00 0.00 H new ATOM 1231 N GLU A 78 3.421 3.387 -6.228 1.00 0.00 N ATOM 1232 CA GLU A 78 4.639 3.052 -6.960 1.00 0.00 C ATOM 1233 C GLU A 78 5.165 4.254 -7.743 1.00 0.00 C ATOM 1234 O GLU A 78 6.357 4.558 -7.699 1.00 0.00 O ATOM 1235 CB GLU A 78 4.374 1.883 -7.912 1.00 0.00 C ATOM 1236 CG GLU A 78 5.597 1.452 -8.706 1.00 0.00 C ATOM 1237 CD GLU A 78 5.305 0.294 -9.640 1.00 0.00 C ATOM 1238 OE1 GLU A 78 4.904 0.548 -10.795 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.474 -0.869 -9.215 1.00 0.00 O ATOM 0 H GLU A 78 2.631 2.773 -6.426 1.00 0.00 H new ATOM 0 HA GLU A 78 5.399 2.763 -6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.007 1.033 -7.336 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.582 2.164 -8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.966 2.298 -9.286 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.392 1.167 -8.017 1.00 0.00 H new ATOM 1246 N GLU A 79 4.271 4.929 -8.459 1.00 0.00 N ATOM 1247 CA GLU A 79 4.646 6.093 -9.258 1.00 0.00 C ATOM 1248 C GLU A 79 5.263 7.186 -8.393 1.00 0.00 C ATOM 1249 O GLU A 79 6.328 7.712 -8.713 1.00 0.00 O ATOM 1250 CB GLU A 79 3.427 6.645 -9.999 1.00 0.00 C ATOM 1251 CG GLU A 79 2.927 5.733 -11.108 1.00 0.00 C ATOM 1252 CD GLU A 79 1.668 6.257 -11.768 1.00 0.00 C ATOM 1253 OE1 GLU A 79 1.787 7.043 -12.732 1.00 0.00 O ATOM 1254 OE2 GLU A 79 0.563 5.883 -11.322 1.00 0.00 O ATOM 0 H GLU A 79 3.280 4.690 -8.503 1.00 0.00 H new ATOM 0 HA GLU A 79 5.393 5.769 -9.983 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.621 6.810 -9.284 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.679 7.616 -10.424 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.708 5.620 -11.860 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.733 4.742 -10.699 1.00 0.00 H new ATOM 1261 N GLN A 80 4.590 7.524 -7.298 1.00 0.00 N ATOM 1262 CA GLN A 80 5.079 8.560 -6.393 1.00 0.00 C ATOM 1263 C GLN A 80 6.463 8.207 -5.858 1.00 0.00 C ATOM 1264 O GLN A 80 7.267 9.090 -5.558 1.00 0.00 O ATOM 1265 CB GLN A 80 4.105 8.755 -5.230 1.00 0.00 C ATOM 1266 CG GLN A 80 2.793 9.402 -5.641 1.00 0.00 C ATOM 1267 CD GLN A 80 2.980 10.811 -6.170 1.00 0.00 C ATOM 1268 OE1 GLN A 80 3.164 11.017 -7.369 1.00 0.00 O ATOM 1269 NE2 GLN A 80 2.938 11.789 -5.272 1.00 0.00 N ATOM 0 H GLN A 80 3.707 7.098 -7.016 1.00 0.00 H new ATOM 0 HA GLN A 80 5.153 9.491 -6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.897 7.787 -4.775 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.581 9.370 -4.467 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.314 8.791 -6.406 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.119 9.426 -4.784 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.783 11.571 -4.288 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.061 12.758 -5.567 1.00 0.00 H new ATOM 1278 N LEU A 81 6.733 6.911 -5.741 1.00 0.00 N ATOM 1279 CA LEU A 81 8.019 6.438 -5.240 1.00 0.00 C ATOM 1280 C LEU A 81 9.103 6.522 -6.311 1.00 0.00 C ATOM 1281 O LEU A 81 10.259 6.819 -6.011 1.00 0.00 O ATOM 1282 CB LEU A 81 7.891 5.000 -4.733 1.00 0.00 C ATOM 1283 CG LEU A 81 7.050 4.834 -3.464 1.00 0.00 C ATOM 1284 CD1 LEU A 81 6.804 3.361 -3.174 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.734 5.501 -2.281 1.00 0.00 C ATOM 0 H LEU A 81 6.078 6.169 -5.987 1.00 0.00 H new ATOM 0 HA LEU A 81 8.314 7.086 -4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.454 4.390 -5.523 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.890 4.607 -4.543 1.00 0.00 H new ATOM 0 HG LEU A 81 6.087 5.318 -3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.205 3.264 -2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.272 2.909 -4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.758 2.853 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.123 5.373 -1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.711 5.044 -2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.860 6.564 -2.486 1.00 0.00 H new ATOM 1297 N LEU A 82 8.726 6.261 -7.561 1.00 0.00 N ATOM 1298 CA LEU A 82 9.676 6.299 -8.670 1.00 0.00 C ATOM 1299 C LEU A 82 10.133 7.725 -8.961 1.00 0.00 C ATOM 1300 O LEU A 82 11.236 7.943 -9.463 1.00 0.00 O ATOM 1301 CB LEU A 82 9.055 5.685 -9.928 1.00 0.00 C ATOM 1302 CG LEU A 82 8.743 4.189 -9.838 1.00 0.00 C ATOM 1303 CD1 LEU A 82 8.044 3.716 -11.103 1.00 0.00 C ATOM 1304 CD2 LEU A 82 10.016 3.388 -9.602 1.00 0.00 C ATOM 0 H LEU A 82 7.772 6.022 -7.831 1.00 0.00 H new ATOM 0 HA LEU A 82 10.548 5.714 -8.378 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.133 6.219 -10.156 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.733 5.849 -10.765 1.00 0.00 H new ATOM 0 HG LEU A 82 8.075 4.028 -8.992 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.829 2.650 -11.023 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.111 4.266 -11.231 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.690 3.892 -11.963 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.772 2.327 -9.541 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.709 3.554 -10.427 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.479 3.708 -8.669 1.00 0.00 H new ATOM 1316 N GLN A 83 9.280 8.695 -8.644 1.00 0.00 N ATOM 1317 CA GLN A 83 9.601 10.099 -8.870 1.00 0.00 C ATOM 1318 C GLN A 83 10.831 10.516 -8.068 1.00 0.00 C ATOM 1319 O GLN A 83 11.462 11.531 -8.365 1.00 0.00 O ATOM 1320 CB GLN A 83 8.413 10.985 -8.492 1.00 0.00 C ATOM 1321 CG GLN A 83 7.194 10.779 -9.376 1.00 0.00 C ATOM 1322 CD GLN A 83 5.995 11.578 -8.907 1.00 0.00 C ATOM 1323 OE1 GLN A 83 5.832 11.834 -7.713 1.00 0.00 O ATOM 1324 NE2 GLN A 83 5.145 11.978 -9.846 1.00 0.00 N ATOM 0 H GLN A 83 8.362 8.534 -8.230 1.00 0.00 H new ATOM 0 HA GLN A 83 9.819 10.225 -9.930 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.138 10.787 -7.456 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.718 12.030 -8.546 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.439 11.064 -10.399 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.937 9.720 -9.393 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.318 11.744 -10.824 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.319 12.519 -9.589 1.00 0.00 H new ATOM 1333 N ARG A 84 11.165 9.727 -7.053 1.00 0.00 N ATOM 1334 CA ARG A 84 12.316 10.015 -6.206 1.00 0.00 C ATOM 1335 C ARG A 84 13.388 8.940 -6.353 1.00 0.00 C ATOM 1336 O ARG A 84 14.583 9.223 -6.265 1.00 0.00 O ATOM 1337 CB ARG A 84 11.879 10.115 -4.742 1.00 0.00 C ATOM 1338 CG ARG A 84 13.008 10.462 -3.784 1.00 0.00 C ATOM 1339 CD ARG A 84 13.518 11.877 -4.009 1.00 0.00 C ATOM 1340 NE ARG A 84 14.573 12.236 -3.065 1.00 0.00 N ATOM 1341 CZ ARG A 84 15.369 13.291 -3.215 1.00 0.00 C ATOM 1342 NH1 ARG A 84 15.239 14.081 -4.272 1.00 0.00 N ATOM 1343 NH2 ARG A 84 16.299 13.556 -2.308 1.00 0.00 N ATOM 0 H ARG A 84 10.654 8.882 -6.797 1.00 0.00 H new ATOM 0 HA ARG A 84 12.740 10.968 -6.523 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.098 10.871 -4.657 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.438 9.165 -4.439 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.659 10.360 -2.757 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.827 9.754 -3.914 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.896 11.968 -5.027 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.691 12.580 -3.912 1.00 0.00 H new ATOM 0 HE ARG A 84 14.707 11.645 -2.245 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.526 13.881 -4.974 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.851 14.889 -4.383 1.00 0.00 H new ATOM 0 HH21 ARG A 84 16.405 12.950 -1.494 1.00 0.00 H new ATOM 0 HH22 ARG A 84 16.909 14.365 -2.424 1.00 0.00 H new ATOM 1357 N ILE A 85 12.951 7.706 -6.578 1.00 0.00 N ATOM 1358 CA ILE A 85 13.868 6.582 -6.732 1.00 0.00 C ATOM 1359 C ILE A 85 13.617 5.847 -8.051 1.00 0.00 C ATOM 1360 O ILE A 85 12.720 5.008 -8.135 1.00 0.00 O ATOM 1361 CB ILE A 85 13.723 5.586 -5.562 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.805 6.327 -4.223 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.794 4.507 -5.645 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.427 5.474 -3.029 1.00 0.00 C ATOM 0 H ILE A 85 11.965 7.458 -6.658 1.00 0.00 H new ATOM 0 HA ILE A 85 14.880 6.987 -6.734 1.00 0.00 H new ATOM 0 HB ILE A 85 12.748 5.104 -5.632 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.820 6.699 -4.085 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.149 7.197 -4.259 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.677 3.813 -4.812 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.693 3.965 -6.586 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.780 4.969 -5.597 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.509 6.067 -2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.401 5.123 -3.143 1.00 0.00 H new ATOM 0 HD13 ILE A 85 14.098 4.618 -2.967 1.00 0.00 H new ATOM 1376 N PRO A 86 14.405 6.150 -9.103 1.00 0.00 N ATOM 1377 CA PRO A 86 14.247 5.509 -10.414 1.00 0.00 C ATOM 1378 C PRO A 86 14.724 4.062 -10.416 1.00 0.00 C ATOM 1379 O PRO A 86 14.573 3.349 -11.409 1.00 0.00 O ATOM 1380 CB PRO A 86 15.123 6.361 -11.331 1.00 0.00 C ATOM 1381 CG PRO A 86 16.172 6.922 -10.435 1.00 0.00 C ATOM 1382 CD PRO A 86 15.506 7.136 -9.101 1.00 0.00 C ATOM 0 HA PRO A 86 13.202 5.462 -10.721 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.562 5.762 -12.129 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.545 7.152 -11.808 1.00 0.00 H new ATOM 0 HG2 PRO A 86 17.015 6.237 -10.345 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.563 7.859 -10.831 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.197 6.965 -8.275 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.132 8.155 -8.998 1.00 0.00 H new ATOM 1390 N GLU A 87 15.300 3.636 -9.299 1.00 0.00 N ATOM 1391 CA GLU A 87 15.801 2.273 -9.164 1.00 0.00 C ATOM 1392 C GLU A 87 14.993 1.497 -8.129 1.00 0.00 C ATOM 1393 O GLU A 87 15.419 0.445 -7.653 1.00 0.00 O ATOM 1394 CB GLU A 87 17.280 2.290 -8.766 1.00 0.00 C ATOM 1395 CG GLU A 87 18.186 2.931 -9.804 1.00 0.00 C ATOM 1396 CD GLU A 87 19.639 2.948 -9.375 1.00 0.00 C ATOM 1397 OE1 GLU A 87 20.356 1.967 -9.666 1.00 0.00 O ATOM 1398 OE2 GLU A 87 20.062 3.942 -8.746 1.00 0.00 O ATOM 0 H GLU A 87 15.432 4.216 -8.471 1.00 0.00 H new ATOM 0 HA GLU A 87 15.696 1.775 -10.128 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.387 2.826 -7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.611 1.267 -8.590 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.095 2.389 -10.745 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.854 3.952 -9.991 1.00 0.00 H new ATOM 1405 N PHE A 88 13.819 2.023 -7.788 1.00 0.00 N ATOM 1406 CA PHE A 88 12.949 1.387 -6.804 1.00 0.00 C ATOM 1407 C PHE A 88 12.206 0.199 -7.409 1.00 0.00 C ATOM 1408 O PHE A 88 11.812 0.227 -8.575 1.00 0.00 O ATOM 1409 CB PHE A 88 11.942 2.399 -6.252 1.00 0.00 C ATOM 1410 CG PHE A 88 11.093 1.858 -5.136 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.539 1.906 -3.825 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.851 1.302 -5.397 1.00 0.00 C ATOM 1413 CE1 PHE A 88 10.762 1.412 -2.795 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.069 0.806 -4.371 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.524 0.861 -3.068 1.00 0.00 C ATOM 0 H PHE A 88 13.449 2.889 -8.179 1.00 0.00 H new ATOM 0 HA PHE A 88 13.577 1.022 -5.991 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.481 3.276 -5.894 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.293 2.732 -7.062 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.506 2.335 -3.606 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.490 1.256 -6.414 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.121 1.456 -1.778 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.103 0.376 -4.588 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.914 0.475 -2.265 1.00 0.00 H new ATOM 1425 N ASN A 89 12.019 -0.841 -6.603 1.00 0.00 N ATOM 1426 CA ASN A 89 11.312 -2.038 -7.042 1.00 0.00 C ATOM 1427 C ASN A 89 10.213 -2.395 -6.047 1.00 0.00 C ATOM 1428 O ASN A 89 10.482 -2.952 -4.981 1.00 0.00 O ATOM 1429 CB ASN A 89 12.287 -3.209 -7.195 1.00 0.00 C ATOM 1430 CG ASN A 89 11.615 -4.455 -7.739 1.00 0.00 C ATOM 1431 OD1 ASN A 89 10.624 -4.373 -8.465 1.00 0.00 O ATOM 1432 ND2 ASN A 89 12.155 -5.617 -7.393 1.00 0.00 N ATOM 0 H ASN A 89 12.349 -0.878 -5.639 1.00 0.00 H new ATOM 0 HA ASN A 89 10.857 -1.836 -8.012 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.099 -2.917 -7.861 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.734 -3.434 -6.227 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.748 -6.489 -7.731 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.977 -5.638 -6.789 1.00 0.00 H new ATOM 1439 N MET A 90 8.974 -2.067 -6.401 1.00 0.00 N ATOM 1440 CA MET A 90 7.830 -2.337 -5.535 1.00 0.00 C ATOM 1441 C MET A 90 7.691 -3.828 -5.242 1.00 0.00 C ATOM 1442 O MET A 90 7.060 -4.220 -4.260 1.00 0.00 O ATOM 1443 CB MET A 90 6.545 -1.813 -6.181 1.00 0.00 C ATOM 1444 CG MET A 90 5.362 -1.760 -5.229 1.00 0.00 C ATOM 1445 SD MET A 90 5.643 -0.649 -3.837 1.00 0.00 S ATOM 1446 CE MET A 90 4.037 -0.682 -3.044 1.00 0.00 C ATOM 0 H MET A 90 8.736 -1.613 -7.283 1.00 0.00 H new ATOM 0 HA MET A 90 7.999 -1.821 -4.590 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.728 -0.813 -6.575 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.290 -2.448 -7.029 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.475 -1.436 -5.774 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.157 -2.763 -4.854 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.053 -0.040 -2.163 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.280 -0.323 -3.741 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.800 -1.703 -2.745 1.00 0.00 H new ATOM 1456 N ALA A 91 8.282 -4.658 -6.098 1.00 0.00 N ATOM 1457 CA ALA A 91 8.216 -6.105 -5.928 1.00 0.00 C ATOM 1458 C ALA A 91 9.128 -6.576 -4.801 1.00 0.00 C ATOM 1459 O ALA A 91 8.675 -7.216 -3.851 1.00 0.00 O ATOM 1460 CB ALA A 91 8.579 -6.808 -7.229 1.00 0.00 C ATOM 0 H ALA A 91 8.811 -4.353 -6.915 1.00 0.00 H new ATOM 0 HA ALA A 91 7.192 -6.362 -5.659 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.525 -7.887 -7.087 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.880 -6.510 -8.011 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.592 -6.531 -7.522 1.00 0.00 H new ATOM 1466 N ALA A 92 10.413 -6.259 -4.912 1.00 0.00 N ATOM 1467 CA ALA A 92 11.389 -6.657 -3.904 1.00 0.00 C ATOM 1468 C ALA A 92 11.156 -5.925 -2.586 1.00 0.00 C ATOM 1469 O ALA A 92 11.522 -6.419 -1.520 1.00 0.00 O ATOM 1470 CB ALA A 92 12.801 -6.403 -4.407 1.00 0.00 C ATOM 0 H ALA A 92 10.803 -5.727 -5.690 1.00 0.00 H new ATOM 0 HA ALA A 92 11.265 -7.724 -3.721 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.519 -6.705 -3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.973 -6.980 -5.316 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.925 -5.342 -4.622 1.00 0.00 H new ATOM 1476 N PHE A 93 10.545 -4.746 -2.665 1.00 0.00 N ATOM 1477 CA PHE A 93 10.271 -3.950 -1.474 1.00 0.00 C ATOM 1478 C PHE A 93 9.186 -4.596 -0.618 1.00 0.00 C ATOM 1479 O PHE A 93 9.394 -4.855 0.566 1.00 0.00 O ATOM 1480 CB PHE A 93 9.854 -2.530 -1.862 1.00 0.00 C ATOM 1481 CG PHE A 93 9.545 -1.656 -0.679 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.567 -1.108 0.079 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.233 -1.388 -0.322 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.287 -0.308 1.171 1.00 0.00 C ATOM 1485 CE2 PHE A 93 7.947 -0.589 0.769 1.00 0.00 C ATOM 1486 CZ PHE A 93 8.976 -0.049 1.517 1.00 0.00 C ATOM 0 H PHE A 93 10.231 -4.323 -3.538 1.00 0.00 H new ATOM 0 HA PHE A 93 11.188 -3.903 -0.887 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.652 -2.071 -2.445 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.977 -2.580 -2.507 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.595 -1.308 -0.186 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.425 -1.808 -0.903 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.093 0.114 1.753 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.920 -0.387 1.037 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.755 0.574 2.371 1.00 0.00 H new ATOM 1496 N THR A 94 8.030 -4.850 -1.223 1.00 0.00 N ATOM 1497 CA THR A 94 6.910 -5.460 -0.513 1.00 0.00 C ATOM 1498 C THR A 94 7.289 -6.817 0.072 1.00 0.00 C ATOM 1499 O THR A 94 7.007 -7.101 1.235 1.00 0.00 O ATOM 1500 CB THR A 94 5.690 -5.640 -1.436 1.00 0.00 C ATOM 1501 OG1 THR A 94 6.060 -6.391 -2.598 1.00 0.00 O ATOM 1502 CG2 THR A 94 5.126 -4.292 -1.855 1.00 0.00 C ATOM 0 H THR A 94 7.844 -4.643 -2.204 1.00 0.00 H new ATOM 0 HA THR A 94 6.651 -4.780 0.299 1.00 0.00 H new ATOM 0 HB THR A 94 4.922 -6.182 -0.884 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.411 -5.783 -3.282 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.265 -4.444 -2.506 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.817 -3.736 -0.970 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.890 -3.728 -2.390 1.00 0.00 H new ATOM 1510 N THR A 95 7.930 -7.648 -0.744 1.00 0.00 N ATOM 1511 CA THR A 95 8.344 -8.979 -0.312 1.00 0.00 C ATOM 1512 C THR A 95 9.235 -8.912 0.927 1.00 0.00 C ATOM 1513 O THR A 95 9.000 -9.615 1.911 1.00 0.00 O ATOM 1514 CB THR A 95 9.096 -9.718 -1.433 1.00 0.00 C ATOM 1515 OG1 THR A 95 8.281 -9.782 -2.609 1.00 0.00 O ATOM 1516 CG2 THR A 95 9.474 -11.127 -0.998 1.00 0.00 C ATOM 0 H THR A 95 8.174 -7.423 -1.708 1.00 0.00 H new ATOM 0 HA THR A 95 7.435 -9.528 -0.066 1.00 0.00 H new ATOM 0 HB THR A 95 10.010 -9.165 -1.651 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.364 -8.944 -3.111 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.004 -11.628 -1.808 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.118 -11.076 -0.120 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.571 -11.687 -0.754 1.00 0.00 H new ATOM 1524 N THR A 96 10.258 -8.066 0.870 1.00 0.00 N ATOM 1525 CA THR A 96 11.188 -7.911 1.983 1.00 0.00 C ATOM 1526 C THR A 96 10.512 -7.246 3.180 1.00 0.00 C ATOM 1527 O THR A 96 10.880 -7.494 4.329 1.00 0.00 O ATOM 1528 CB THR A 96 12.416 -7.077 1.569 1.00 0.00 C ATOM 1529 OG1 THR A 96 13.040 -7.664 0.420 1.00 0.00 O ATOM 1530 CG2 THR A 96 13.426 -6.988 2.703 1.00 0.00 C ATOM 0 H THR A 96 10.464 -7.476 0.064 1.00 0.00 H new ATOM 0 HA THR A 96 11.514 -8.911 2.268 1.00 0.00 H new ATOM 0 HB THR A 96 12.075 -6.070 1.329 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.612 -7.325 -0.394 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.282 -6.394 2.382 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.961 -6.516 3.569 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.760 -7.990 2.972 1.00 0.00 H new ATOM 1538 N LEU A 97 9.522 -6.406 2.901 1.00 0.00 N ATOM 1539 CA LEU A 97 8.791 -5.699 3.948 1.00 0.00 C ATOM 1540 C LEU A 97 8.039 -6.677 4.847 1.00 0.00 C ATOM 1541 O LEU A 97 7.944 -6.476 6.059 1.00 0.00 O ATOM 1542 CB LEU A 97 7.806 -4.704 3.324 1.00 0.00 C ATOM 1543 CG LEU A 97 7.648 -3.371 4.064 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.599 -2.507 3.382 1.00 0.00 C ATOM 1545 CD2 LEU A 97 7.276 -3.598 5.524 1.00 0.00 C ATOM 0 H LEU A 97 9.205 -6.197 1.954 1.00 0.00 H new ATOM 0 HA LEU A 97 9.514 -5.157 4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.126 -4.496 2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.828 -5.181 3.260 1.00 0.00 H new ATOM 0 HG LEU A 97 8.606 -2.852 4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.499 -1.564 3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.903 -2.308 2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.642 -3.028 3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.170 -2.636 6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.333 -4.142 5.579 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.059 -4.178 6.013 1.00 0.00 H new ATOM 1557 N GLN A 98 7.507 -7.739 4.245 1.00 0.00 N ATOM 1558 CA GLN A 98 6.747 -8.745 4.982 1.00 0.00 C ATOM 1559 C GLN A 98 7.513 -9.251 6.200 1.00 0.00 C ATOM 1560 O GLN A 98 6.931 -9.448 7.267 1.00 0.00 O ATOM 1561 CB GLN A 98 6.391 -9.917 4.064 1.00 0.00 C ATOM 1562 CG GLN A 98 5.528 -9.517 2.878 1.00 0.00 C ATOM 1563 CD GLN A 98 5.133 -10.701 2.017 1.00 0.00 C ATOM 1564 OE1 GLN A 98 5.003 -11.823 2.505 1.00 0.00 O ATOM 1565 NE2 GLN A 98 4.936 -10.454 0.726 1.00 0.00 N ATOM 0 H GLN A 98 7.589 -7.925 3.245 1.00 0.00 H new ATOM 0 HA GLN A 98 5.831 -8.272 5.336 1.00 0.00 H new ATOM 0 HB2 GLN A 98 7.310 -10.373 3.697 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.868 -10.677 4.644 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.628 -9.020 3.240 1.00 0.00 H new ATOM 0 HG3 GLN A 98 6.069 -8.793 2.268 1.00 0.00 H new ATOM 0 HE21 GLN A 98 5.055 -9.508 0.364 1.00 0.00 H new ATOM 0 HE22 GLN A 98 4.666 -11.211 0.097 1.00 0.00 H new ATOM 1574 N HIS A 99 8.814 -9.459 6.040 1.00 0.00 N ATOM 1575 CA HIS A 99 9.645 -9.938 7.139 1.00 0.00 C ATOM 1576 C HIS A 99 10.246 -8.767 7.907 1.00 0.00 C ATOM 1577 O HIS A 99 10.408 -8.826 9.128 1.00 0.00 O ATOM 1578 CB HIS A 99 10.761 -10.844 6.610 1.00 0.00 C ATOM 1579 CG HIS A 99 10.257 -12.103 5.972 1.00 0.00 C ATOM 1580 ND1 HIS A 99 10.391 -13.347 6.555 1.00 0.00 N ATOM 1581 CD2 HIS A 99 9.622 -12.309 4.793 1.00 0.00 C ATOM 1582 CE1 HIS A 99 9.859 -14.262 5.761 1.00 0.00 C ATOM 1583 NE2 HIS A 99 9.386 -13.657 4.687 1.00 0.00 N ATOM 0 H HIS A 99 9.315 -9.305 5.165 1.00 0.00 H new ATOM 0 HA HIS A 99 9.015 -10.514 7.817 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.354 -10.290 5.883 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.427 -11.104 7.432 1.00 0.00 H new ATOM 0 HD2 HIS A 99 9.352 -11.553 4.071 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.819 -15.323 5.958 1.00 0.00 H new ATOM 0 HE2 HIS A 99 8.920 -14.117 3.905 1.00 0.00 H new ATOM 1592 N HIS A 100 10.554 -7.694 7.187 1.00 0.00 N ATOM 1593 CA HIS A 100 11.142 -6.510 7.799 1.00 0.00 C ATOM 1594 C HIS A 100 10.122 -5.803 8.683 1.00 0.00 C ATOM 1595 O HIS A 100 10.446 -4.836 9.373 1.00 0.00 O ATOM 1596 CB HIS A 100 11.664 -5.553 6.725 1.00 0.00 C ATOM 1597 CG HIS A 100 12.759 -4.652 7.209 1.00 0.00 C ATOM 1598 ND1 HIS A 100 12.527 -3.494 7.919 1.00 0.00 N ATOM 1599 CD2 HIS A 100 14.105 -4.751 7.085 1.00 0.00 C ATOM 1600 CE1 HIS A 100 13.680 -2.918 8.209 1.00 0.00 C ATOM 1601 NE2 HIS A 100 14.652 -3.661 7.716 1.00 0.00 N ATOM 0 H HIS A 100 10.406 -7.620 6.180 1.00 0.00 H new ATOM 0 HA HIS A 100 11.980 -6.827 8.419 1.00 0.00 H new ATOM 0 HB2 HIS A 100 12.030 -6.134 5.878 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.837 -4.943 6.360 1.00 0.00 H new ATOM 0 HD2 HIS A 100 14.646 -5.540 6.584 1.00 0.00 H new ATOM 0 HE1 HIS A 100 13.805 -1.996 8.757 1.00 0.00 H new ATOM 0 HE2 HIS A 100 15.649 -3.459 7.791 1.00 0.00 H new ATOM 1610 N LYS A 101 8.888 -6.297 8.658 1.00 0.00 N ATOM 1611 CA LYS A 101 7.815 -5.723 9.460 1.00 0.00 C ATOM 1612 C LYS A 101 8.159 -5.798 10.944 1.00 0.00 C ATOM 1613 O LYS A 101 7.555 -5.111 11.768 1.00 0.00 O ATOM 1614 CB LYS A 101 6.498 -6.453 9.185 1.00 0.00 C ATOM 1615 CG LYS A 101 5.314 -5.896 9.962 1.00 0.00 C ATOM 1616 CD LYS A 101 4.027 -6.638 9.633 1.00 0.00 C ATOM 1617 CE LYS A 101 4.094 -8.095 10.064 1.00 0.00 C ATOM 1618 NZ LYS A 101 2.810 -8.807 9.815 1.00 0.00 N ATOM 0 H LYS A 101 8.607 -7.096 8.089 1.00 0.00 H new ATOM 0 HA LYS A 101 7.700 -4.675 9.183 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.279 -6.399 8.119 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.619 -7.508 9.432 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.513 -5.969 11.031 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.193 -4.837 9.732 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.188 -6.150 10.129 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.839 -6.584 8.561 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.898 -8.597 9.525 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.339 -8.149 11.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.897 -9.797 10.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.047 -8.344 10.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.588 -8.778 8.799 1.00 0.00 H new ATOM 1632 N ASP A 102 9.137 -6.639 11.276 1.00 0.00 N ATOM 1633 CA ASP A 102 9.567 -6.802 12.660 1.00 0.00 C ATOM 1634 C ASP A 102 9.983 -5.461 13.263 1.00 0.00 C ATOM 1635 O ASP A 102 10.028 -5.307 14.483 1.00 0.00 O ATOM 1636 CB ASP A 102 10.728 -7.795 12.741 1.00 0.00 C ATOM 1637 CG ASP A 102 11.966 -7.301 12.018 1.00 0.00 C ATOM 1638 OD1 ASP A 102 12.798 -6.626 12.659 1.00 0.00 O ATOM 1639 OD2 ASP A 102 12.103 -7.591 10.810 1.00 0.00 O ATOM 0 H ASP A 102 9.645 -7.216 10.606 1.00 0.00 H new ATOM 0 HA ASP A 102 8.725 -7.191 13.233 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.972 -7.980 13.787 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.417 -8.748 12.313 1.00 0.00 H new ATOM 1644 N GLU A 103 10.285 -4.496 12.398 1.00 0.00 N ATOM 1645 CA GLU A 103 10.695 -3.168 12.841 1.00 0.00 C ATOM 1646 C GLU A 103 9.735 -2.102 12.314 1.00 0.00 C ATOM 1647 O GLU A 103 9.306 -1.219 13.057 1.00 0.00 O ATOM 1648 CB GLU A 103 12.123 -2.874 12.372 1.00 0.00 C ATOM 1649 CG GLU A 103 12.720 -1.604 12.962 1.00 0.00 C ATOM 1650 CD GLU A 103 12.191 -0.343 12.306 1.00 0.00 C ATOM 1651 OE1 GLU A 103 12.538 -0.095 11.132 1.00 0.00 O ATOM 1652 OE2 GLU A 103 11.432 0.396 12.966 1.00 0.00 O ATOM 0 H GLU A 103 10.253 -4.610 11.385 1.00 0.00 H new ATOM 0 HA GLU A 103 10.669 -3.144 13.930 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.761 -3.718 12.633 1.00 0.00 H new ATOM 0 HB3 GLU A 103 12.128 -2.795 11.285 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.505 -1.570 14.030 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.804 -1.635 12.856 1.00 0.00 H new ATOM 1659 N VAL A 104 9.404 -2.195 11.028 1.00 0.00 N ATOM 1660 CA VAL A 104 8.495 -1.241 10.395 1.00 0.00 C ATOM 1661 C VAL A 104 7.171 -1.158 11.147 1.00 0.00 C ATOM 1662 O VAL A 104 6.680 -2.158 11.670 1.00 0.00 O ATOM 1663 CB VAL A 104 8.213 -1.623 8.929 1.00 0.00 C ATOM 1664 CG1 VAL A 104 7.393 -0.543 8.240 1.00 0.00 C ATOM 1665 CG2 VAL A 104 9.512 -1.875 8.181 1.00 0.00 C ATOM 0 H VAL A 104 9.752 -2.922 10.403 1.00 0.00 H new ATOM 0 HA VAL A 104 8.988 -0.269 10.424 1.00 0.00 H new ATOM 0 HB VAL A 104 7.632 -2.546 8.922 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.205 -0.833 7.206 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.443 -0.420 8.760 1.00 0.00 H new ATOM 0 HG13 VAL A 104 7.942 0.398 8.259 1.00 0.00 H new ATOM 0 HG21 VAL A 104 9.291 -2.143 7.148 1.00 0.00 H new ATOM 0 HG22 VAL A 104 10.123 -0.973 8.199 1.00 0.00 H new ATOM 0 HG23 VAL A 104 10.055 -2.690 8.659 1.00 0.00 H new ATOM 1675 N ALA A 105 6.600 0.043 11.200 1.00 0.00 N ATOM 1676 CA ALA A 105 5.331 0.255 11.886 1.00 0.00 C ATOM 1677 C ALA A 105 4.228 -0.596 11.267 1.00 0.00 C ATOM 1678 O ALA A 105 3.760 -0.317 10.162 1.00 0.00 O ATOM 1679 CB ALA A 105 4.950 1.729 11.846 1.00 0.00 C ATOM 0 H ALA A 105 6.996 0.882 10.776 1.00 0.00 H new ATOM 0 HA ALA A 105 5.450 -0.049 12.926 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.001 1.874 12.362 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.724 2.318 12.338 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.853 2.052 10.809 1.00 0.00 H new ATOM 1685 N GLY A 106 3.820 -1.637 11.986 1.00 0.00 N ATOM 1686 CA GLY A 106 2.778 -2.522 11.497 1.00 0.00 C ATOM 1687 C GLY A 106 1.455 -1.810 11.299 1.00 0.00 C ATOM 1688 O GLY A 106 0.665 -2.185 10.433 1.00 0.00 O ATOM 0 H GLY A 106 4.194 -1.884 12.902 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.095 -2.962 10.552 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.643 -3.343 12.202 1.00 0.00 H new ATOM 1692 N ASP A 107 1.208 -0.785 12.108 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.031 -0.021 12.024 1.00 0.00 C ATOM 1694 C ASP A 107 -0.152 0.690 10.679 1.00 0.00 C ATOM 1695 O ASP A 107 -1.242 0.788 10.117 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.100 1.001 13.161 1.00 0.00 C ATOM 1697 CG ASP A 107 -1.344 1.867 13.087 1.00 0.00 C ATOM 1698 OD1 ASP A 107 -2.409 1.418 13.561 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -1.253 2.992 12.554 1.00 0.00 O ATOM 0 H ASP A 107 1.852 -0.464 12.831 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.862 -0.720 12.117 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.081 0.478 14.117 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.785 1.637 13.128 1.00 0.00 H new ATOM 1704 N ILE A 108 0.972 1.183 10.168 1.00 0.00 N ATOM 1705 CA ILE A 108 0.983 1.890 8.892 1.00 0.00 C ATOM 1706 C ILE A 108 0.832 0.928 7.717 1.00 0.00 C ATOM 1707 O ILE A 108 -0.011 1.132 6.842 1.00 0.00 O ATOM 1708 CB ILE A 108 2.282 2.703 8.711 1.00 0.00 C ATOM 1709 CG1 ILE A 108 2.415 3.754 9.815 1.00 0.00 C ATOM 1710 CG2 ILE A 108 2.318 3.357 7.336 1.00 0.00 C ATOM 1711 CD1 ILE A 108 1.308 4.781 9.804 1.00 0.00 C ATOM 0 H ILE A 108 1.885 1.106 10.617 1.00 0.00 H new ATOM 0 HA ILE A 108 0.132 2.571 8.907 1.00 0.00 H new ATOM 0 HB ILE A 108 3.129 2.021 8.785 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.426 3.253 10.783 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.373 4.263 9.708 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.242 3.926 7.228 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.273 2.587 6.566 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.465 4.027 7.229 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.466 5.495 10.613 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.310 5.308 8.850 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.348 4.283 9.941 1.00 0.00 H new ATOM 1723 N PHE A 109 1.642 -0.126 7.703 1.00 0.00 N ATOM 1724 CA PHE A 109 1.591 -1.104 6.624 1.00 0.00 C ATOM 1725 C PHE A 109 0.267 -1.857 6.624 1.00 0.00 C ATOM 1726 O PHE A 109 -0.196 -2.299 5.577 1.00 0.00 O ATOM 1727 CB PHE A 109 2.758 -2.092 6.712 1.00 0.00 C ATOM 1728 CG PHE A 109 2.766 -3.093 5.588 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.746 -2.671 4.266 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.783 -4.453 5.851 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.742 -3.586 3.229 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.782 -5.373 4.820 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.761 -4.939 3.507 1.00 0.00 C ATOM 0 H PHE A 109 2.337 -0.323 8.423 1.00 0.00 H new ATOM 0 HA PHE A 109 1.676 -0.554 5.687 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.697 -1.538 6.705 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.707 -2.622 7.663 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.733 -1.614 4.044 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.797 -4.798 6.874 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.724 -3.244 2.205 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.798 -6.430 5.039 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.759 -5.657 2.700 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.333 -2.005 7.804 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.606 -2.712 7.932 1.00 0.00 C ATOM 1745 C ASP A 110 -2.613 -2.206 6.904 1.00 0.00 C ATOM 1746 O ASP A 110 -3.480 -2.954 6.453 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.170 -2.546 9.344 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.536 -3.184 9.500 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -3.599 -4.417 9.692 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -4.546 -2.451 9.429 1.00 0.00 O ATOM 0 H ASP A 110 0.041 -1.646 8.683 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.425 -3.771 7.747 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.481 -2.990 10.062 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.239 -1.485 9.582 1.00 0.00 H new ATOM 1755 N MET A 111 -2.495 -0.932 6.541 1.00 0.00 N ATOM 1756 CA MET A 111 -3.385 -0.339 5.551 1.00 0.00 C ATOM 1757 C MET A 111 -3.039 -0.872 4.165 1.00 0.00 C ATOM 1758 O MET A 111 -3.910 -1.322 3.419 1.00 0.00 O ATOM 1759 CB MET A 111 -3.271 1.189 5.582 1.00 0.00 C ATOM 1760 CG MET A 111 -4.122 1.895 4.537 1.00 0.00 C ATOM 1761 SD MET A 111 -3.270 2.098 2.960 1.00 0.00 S ATOM 1762 CE MET A 111 -1.920 3.176 3.438 1.00 0.00 C ATOM 0 H MET A 111 -1.794 -0.293 6.917 1.00 0.00 H new ATOM 0 HA MET A 111 -4.414 -0.610 5.787 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.560 1.544 6.571 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.228 1.468 5.435 1.00 0.00 H new ATOM 0 HG2 MET A 111 -5.039 1.328 4.379 1.00 0.00 H new ATOM 0 HG3 MET A 111 -4.415 2.875 4.915 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.441 3.578 2.545 1.00 0.00 H new ATOM 0 HE2 MET A 111 -2.306 3.996 4.043 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.190 2.610 4.017 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.752 -0.828 3.841 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.260 -1.313 2.559 1.00 0.00 C ATOM 1774 C LEU A 112 -1.432 -2.824 2.459 1.00 0.00 C ATOM 1775 O LEU A 112 -1.485 -3.383 1.365 1.00 0.00 O ATOM 1776 CB LEU A 112 0.211 -0.934 2.380 1.00 0.00 C ATOM 1777 CG LEU A 112 0.488 0.568 2.269 1.00 0.00 C ATOM 1778 CD1 LEU A 112 1.985 0.835 2.262 1.00 0.00 C ATOM 1779 CD2 LEU A 112 -0.159 1.140 1.017 1.00 0.00 C ATOM 0 H LEU A 112 -1.026 -0.458 4.455 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.842 -0.845 1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.777 -1.330 3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.590 -1.424 1.483 1.00 0.00 H new ATOM 0 HG LEU A 112 0.053 1.062 3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.163 1.907 2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.426 0.462 3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.441 0.328 1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.049 2.208 0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.246 0.640 0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.237 0.982 1.060 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.522 -3.475 3.615 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.680 -4.923 3.685 1.00 0.00 C ATOM 1793 C LEU A 113 -2.824 -5.387 2.789 1.00 0.00 C ATOM 1794 O LEU A 113 -2.828 -6.520 2.305 1.00 0.00 O ATOM 1795 CB LEU A 113 -1.930 -5.357 5.133 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.952 -6.868 5.375 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -0.651 -7.509 4.916 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -2.198 -7.163 6.846 1.00 0.00 C ATOM 0 H LEU A 113 -1.488 -3.016 4.525 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.759 -5.387 3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.158 -4.917 5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.883 -4.941 5.459 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.767 -7.296 4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.690 -8.583 5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.512 -7.327 3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.183 -7.077 5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.211 -8.241 7.004 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.403 -6.719 7.444 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.157 -6.741 7.146 1.00 0.00 H new ATOM 1810 N THR A 114 -3.793 -4.502 2.575 1.00 0.00 N ATOM 1811 CA THR A 114 -4.947 -4.809 1.736 1.00 0.00 C ATOM 1812 C THR A 114 -4.541 -5.127 0.295 1.00 0.00 C ATOM 1813 O THR A 114 -5.399 -5.368 -0.555 1.00 0.00 O ATOM 1814 CB THR A 114 -5.950 -3.640 1.723 1.00 0.00 C ATOM 1815 OG1 THR A 114 -5.325 -2.466 1.189 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.461 -3.353 3.127 1.00 0.00 C ATOM 0 H THR A 114 -3.802 -3.563 2.973 1.00 0.00 H new ATOM 0 HA THR A 114 -5.416 -5.692 2.171 1.00 0.00 H new ATOM 0 HB THR A 114 -6.795 -3.920 1.094 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.806 -2.023 1.892 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.168 -2.524 3.095 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.959 -4.239 3.521 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.623 -3.090 3.773 1.00 0.00 H new ATOM 1824 N PHE A 115 -3.237 -5.131 0.021 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.742 -5.428 -1.321 1.00 0.00 C ATOM 1826 C PHE A 115 -3.075 -6.863 -1.718 1.00 0.00 C ATOM 1827 O PHE A 115 -3.318 -7.151 -2.890 1.00 0.00 O ATOM 1828 CB PHE A 115 -1.222 -5.216 -1.403 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.800 -3.784 -1.609 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -1.482 -2.960 -2.493 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.290 -3.266 -0.923 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -1.089 -1.650 -2.685 1.00 0.00 C ATOM 1833 CE2 PHE A 115 0.687 -1.957 -1.114 1.00 0.00 C ATOM 1834 CZ PHE A 115 -0.003 -1.147 -1.995 1.00 0.00 C ATOM 0 H PHE A 115 -2.508 -4.933 0.707 1.00 0.00 H new ATOM 0 HA PHE A 115 -3.235 -4.744 -2.012 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.766 -5.587 -0.485 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.828 -5.819 -2.221 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.330 -3.348 -3.037 1.00 0.00 H new ATOM 0 HD2 PHE A 115 0.834 -3.894 -0.232 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.630 -1.019 -3.374 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.537 -1.567 -0.574 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.306 -0.123 -2.144 1.00 0.00 H new ATOM 1844 N THR A 116 -3.089 -7.760 -0.735 1.00 0.00 N ATOM 1845 CA THR A 116 -3.388 -9.165 -0.990 1.00 0.00 C ATOM 1846 C THR A 116 -4.384 -9.718 0.023 1.00 0.00 C ATOM 1847 O THR A 116 -5.172 -10.609 -0.293 1.00 0.00 O ATOM 1848 CB THR A 116 -2.112 -10.026 -0.954 1.00 0.00 C ATOM 1849 OG1 THR A 116 -1.457 -9.875 0.312 1.00 0.00 O ATOM 1850 CG2 THR A 116 -1.159 -9.633 -2.073 1.00 0.00 C ATOM 0 H THR A 116 -2.897 -7.539 0.242 1.00 0.00 H new ATOM 0 HA THR A 116 -3.827 -9.212 -1.986 1.00 0.00 H new ATOM 0 HB THR A 116 -2.399 -11.068 -1.094 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.647 -10.427 0.329 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.266 -10.256 -2.026 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.650 -9.775 -3.036 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.878 -8.586 -1.960 1.00 0.00 H new ATOM 1858 N ASP A 117 -4.342 -9.190 1.242 1.00 0.00 N ATOM 1859 CA ASP A 117 -5.239 -9.641 2.300 1.00 0.00 C ATOM 1860 C ASP A 117 -6.675 -9.200 2.025 1.00 0.00 C ATOM 1861 O ASP A 117 -7.115 -8.153 2.499 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.778 -9.103 3.655 1.00 0.00 C ATOM 1863 CG ASP A 117 -5.355 -9.889 4.816 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -4.804 -10.962 5.139 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -6.357 -9.431 5.402 1.00 0.00 O ATOM 0 H ASP A 117 -3.697 -8.450 1.521 1.00 0.00 H new ATOM 0 HA ASP A 117 -5.212 -10.730 2.322 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -3.690 -9.134 3.704 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.071 -8.057 3.746 1.00 0.00 H new ATOM 1870 N PHE A 118 -7.397 -10.010 1.254 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.782 -9.706 0.909 1.00 0.00 C ATOM 1872 C PHE A 118 -9.648 -9.624 2.161 1.00 0.00 C ATOM 1873 O PHE A 118 -10.693 -8.973 2.163 1.00 0.00 O ATOM 1874 CB PHE A 118 -9.336 -10.766 -0.046 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.690 -10.428 -0.602 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.816 -9.563 -1.677 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.837 -10.977 -0.051 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -12.059 -9.250 -2.191 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -13.084 -10.669 -0.562 1.00 0.00 C ATOM 1880 CZ PHE A 118 -13.195 -9.804 -1.634 1.00 0.00 C ATOM 0 H PHE A 118 -7.045 -10.881 0.857 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.804 -8.736 0.412 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -8.637 -10.900 -0.872 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -9.396 -11.720 0.479 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.931 -9.128 -2.118 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -11.756 -11.653 0.787 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.143 -8.573 -3.028 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.970 -11.104 -0.124 1.00 0.00 H new ATOM 0 HZ PHE A 118 -14.168 -9.562 -2.035 1.00 0.00 H new ATOM 1890 N LEU A 119 -9.209 -10.286 3.225 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.945 -10.281 4.483 1.00 0.00 C ATOM 1892 C LEU A 119 -9.955 -8.883 5.092 1.00 0.00 C ATOM 1893 O LEU A 119 -10.974 -8.430 5.614 1.00 0.00 O ATOM 1894 CB LEU A 119 -9.332 -11.281 5.469 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.631 -12.758 5.186 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -11.131 -13.011 5.182 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -9.012 -13.192 3.864 1.00 0.00 C ATOM 0 H LEU A 119 -8.348 -10.832 3.242 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.973 -10.579 4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.251 -11.142 5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.689 -11.042 6.471 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.184 -13.353 5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -11.322 -14.065 4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.547 -12.747 6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -11.601 -12.402 4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.237 -14.243 3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.423 -12.589 3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.932 -13.054 3.906 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.814 -8.203 5.018 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.692 -6.853 5.558 1.00 0.00 C ATOM 1911 C ALA A 120 -9.356 -5.837 4.637 1.00 0.00 C ATOM 1912 O ALA A 120 -9.903 -4.834 5.093 1.00 0.00 O ATOM 1913 CB ALA A 120 -7.227 -6.499 5.770 1.00 0.00 C ATOM 0 H ALA A 120 -7.962 -8.565 4.590 1.00 0.00 H new ATOM 0 HA ALA A 120 -9.203 -6.823 6.521 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -7.151 -5.489 6.173 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.780 -7.204 6.471 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.699 -6.550 4.818 1.00 0.00 H new ATOM 1919 N PHE A 121 -9.304 -6.108 3.336 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.894 -5.224 2.336 1.00 0.00 C ATOM 1921 C PHE A 121 -11.413 -5.171 2.487 1.00 0.00 C ATOM 1922 O PHE A 121 -12.002 -4.095 2.626 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.515 -5.714 0.933 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.714 -4.697 -0.157 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -9.205 -3.413 -0.034 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.399 -5.033 -1.315 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.377 -2.484 -1.043 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.575 -4.108 -2.327 1.00 0.00 C ATOM 1929 CZ PHE A 121 -10.063 -2.833 -2.190 1.00 0.00 C ATOM 0 H PHE A 121 -8.856 -6.938 2.948 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.506 -4.216 2.484 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.469 -6.021 0.939 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -10.106 -6.599 0.699 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.668 -3.135 0.861 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.800 -6.030 -1.428 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.976 -1.487 -0.935 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.112 -4.382 -3.223 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.199 -2.109 -2.980 1.00 0.00 H new ATOM 1939 N LYS A 122 -12.039 -6.344 2.472 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.486 -6.448 2.608 1.00 0.00 C ATOM 1941 C LYS A 122 -13.953 -5.869 3.939 1.00 0.00 C ATOM 1942 O LYS A 122 -14.849 -5.025 3.981 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.921 -7.910 2.496 1.00 0.00 C ATOM 1944 CG LYS A 122 -14.825 -8.189 1.305 1.00 0.00 C ATOM 1945 CD LYS A 122 -16.235 -7.667 1.536 1.00 0.00 C ATOM 1946 CE LYS A 122 -16.959 -8.475 2.602 1.00 0.00 C ATOM 1947 NZ LYS A 122 -18.382 -8.062 2.738 1.00 0.00 N ATOM 0 H LYS A 122 -11.563 -7.240 2.366 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.944 -5.873 1.803 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.034 -8.539 2.423 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -14.441 -8.196 3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -14.406 -7.724 0.413 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -14.860 -9.262 1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -16.192 -6.620 1.837 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -16.797 -7.707 0.603 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -16.911 -9.534 2.350 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -16.452 -8.351 3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.823 -8.588 3.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -18.430 -7.042 2.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -18.889 -8.267 1.853 1.00 0.00 H new ATOM 1961 N GLU A 123 -13.339 -6.327 5.025 1.00 0.00 N ATOM 1962 CA GLU A 123 -13.689 -5.860 6.361 1.00 0.00 C ATOM 1963 C GLU A 123 -13.497 -4.351 6.482 1.00 0.00 C ATOM 1964 O GLU A 123 -14.231 -3.681 7.209 1.00 0.00 O ATOM 1965 CB GLU A 123 -12.838 -6.577 7.412 1.00 0.00 C ATOM 1966 CG GLU A 123 -13.204 -6.214 8.842 1.00 0.00 C ATOM 1967 CD GLU A 123 -12.297 -6.871 9.863 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -12.569 -8.030 10.240 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -11.314 -6.226 10.286 1.00 0.00 O ATOM 0 H GLU A 123 -12.594 -7.024 5.005 1.00 0.00 H new ATOM 0 HA GLU A 123 -14.741 -6.088 6.533 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -12.945 -7.654 7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -11.788 -6.338 7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -13.155 -5.132 8.962 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -14.235 -6.509 9.035 1.00 0.00 H new ATOM 1976 N MET A 124 -12.507 -3.822 5.767 1.00 0.00 N ATOM 1977 CA MET A 124 -12.223 -2.391 5.800 1.00 0.00 C ATOM 1978 C MET A 124 -13.430 -1.586 5.331 1.00 0.00 C ATOM 1979 O MET A 124 -13.827 -0.615 5.975 1.00 0.00 O ATOM 1980 CB MET A 124 -11.005 -2.066 4.930 1.00 0.00 C ATOM 1981 CG MET A 124 -10.646 -0.588 4.909 1.00 0.00 C ATOM 1982 SD MET A 124 -9.188 -0.239 3.904 1.00 0.00 S ATOM 1983 CE MET A 124 -9.743 -0.789 2.292 1.00 0.00 C ATOM 0 H MET A 124 -11.890 -4.361 5.160 1.00 0.00 H new ATOM 0 HA MET A 124 -12.004 -2.115 6.831 1.00 0.00 H new ATOM 0 HB2 MET A 124 -10.148 -2.634 5.293 1.00 0.00 H new ATOM 0 HB3 MET A 124 -11.199 -2.398 3.910 1.00 0.00 H new ATOM 0 HG2 MET A 124 -11.492 -0.018 4.524 1.00 0.00 H new ATOM 0 HG3 MET A 124 -10.469 -0.247 5.929 1.00 0.00 H new ATOM 0 HE1 MET A 124 -9.062 -0.417 1.526 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.759 -1.879 2.265 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.746 -0.407 2.103 1.00 0.00 H new ATOM 1993 N PHE A 125 -14.011 -1.995 4.206 1.00 0.00 N ATOM 1994 CA PHE A 125 -15.176 -1.305 3.660 1.00 0.00 C ATOM 1995 C PHE A 125 -16.372 -1.413 4.601 1.00 0.00 C ATOM 1996 O PHE A 125 -17.057 -0.424 4.863 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.545 -1.872 2.289 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.533 -1.576 1.223 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -14.247 -0.267 0.864 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.867 -2.603 0.580 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -13.315 0.008 -0.117 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.933 -2.334 -0.402 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.657 -1.026 -0.751 1.00 0.00 C ATOM 0 H PHE A 125 -13.697 -2.796 3.658 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.914 -0.252 3.552 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.666 -2.952 2.373 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.510 -1.466 1.985 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.759 0.546 1.357 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -14.079 -3.627 0.848 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -13.101 1.031 -0.388 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.419 -3.145 -0.896 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.928 -0.813 -1.519 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.619 -2.619 5.104 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.737 -2.852 6.013 1.00 0.00 C ATOM 2015 C LEU A 126 -17.615 -1.986 7.263 1.00 0.00 C ATOM 2016 O LEU A 126 -18.619 -1.601 7.862 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.808 -4.331 6.405 1.00 0.00 C ATOM 2018 CG LEU A 126 -17.891 -5.314 5.233 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -18.058 -6.737 5.742 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -19.033 -4.947 4.296 1.00 0.00 C ATOM 0 H LEU A 126 -16.062 -3.448 4.898 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.655 -2.578 5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.929 -4.575 7.001 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -18.678 -4.479 7.045 1.00 0.00 H new ATOM 0 HG LEU A 126 -16.958 -5.253 4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.115 -7.422 4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.205 -7.002 6.367 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -18.974 -6.808 6.329 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -19.071 -5.660 3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -19.975 -4.974 4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.871 -3.944 3.901 1.00 0.00 H new ATOM 2032 N ASP A 127 -16.380 -1.684 7.652 1.00 0.00 N ATOM 2033 CA ASP A 127 -16.130 -0.858 8.828 1.00 0.00 C ATOM 2034 C ASP A 127 -16.486 0.598 8.546 1.00 0.00 C ATOM 2035 O ASP A 127 -17.205 1.234 9.318 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.665 -0.964 9.253 1.00 0.00 C ATOM 2037 CG ASP A 127 -14.355 -0.124 10.478 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -14.027 1.070 10.310 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -14.440 -0.659 11.603 1.00 0.00 O ATOM 0 H ASP A 127 -15.538 -1.999 7.170 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.760 -1.221 9.640 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -14.424 -2.007 9.461 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -14.027 -0.648 8.428 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.978 1.116 7.432 1.00 0.00 N ATOM 2045 CA TYR A 128 -16.242 2.495 7.036 1.00 0.00 C ATOM 2046 C TYR A 128 -17.743 2.748 6.926 1.00 0.00 C ATOM 2047 O TYR A 128 -18.226 3.828 7.265 1.00 0.00 O ATOM 2048 CB TYR A 128 -15.558 2.801 5.702 1.00 0.00 C ATOM 2049 CG TYR A 128 -15.831 4.194 5.179 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -15.127 5.289 5.664 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -16.791 4.413 4.197 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -15.373 6.562 5.188 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -17.042 5.684 3.717 1.00 0.00 C ATOM 2054 CZ TYR A 128 -16.331 6.755 4.215 1.00 0.00 C ATOM 2055 OH TYR A 128 -16.578 8.022 3.738 1.00 0.00 O ATOM 0 H TYR A 128 -15.380 0.600 6.786 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.837 3.156 7.803 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -14.482 2.672 5.818 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.888 2.074 4.960 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -14.375 5.143 6.425 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -17.349 3.576 3.803 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -14.817 7.403 5.576 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -17.792 5.838 2.955 1.00 0.00 H new ATOM 0 HH TYR A 128 -17.281 7.984 3.056 1.00 0.00 H new ATOM 2065 N ARG A 129 -18.472 1.744 6.449 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.919 1.851 6.294 1.00 0.00 C ATOM 2067 C ARG A 129 -20.612 1.852 7.653 1.00 0.00 C ATOM 2068 O ARG A 129 -21.605 2.552 7.853 1.00 0.00 O ATOM 2069 CB ARG A 129 -20.448 0.696 5.440 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.950 0.747 5.210 1.00 0.00 C ATOM 2071 CD ARG A 129 -22.422 -0.418 4.356 1.00 0.00 C ATOM 2072 NE ARG A 129 -22.142 -1.706 4.984 1.00 0.00 N ATOM 2073 CZ ARG A 129 -22.445 -2.877 4.433 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.029 -2.923 3.243 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -22.162 -4.005 5.070 1.00 0.00 N ATOM 0 H ARG A 129 -18.084 0.845 6.163 1.00 0.00 H new ATOM 0 HA ARG A 129 -20.138 2.794 5.793 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.941 0.706 4.475 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -20.195 -0.248 5.923 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -22.467 0.729 6.169 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -22.213 1.686 4.724 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -23.494 -0.327 4.179 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.933 -0.375 3.383 1.00 0.00 H new ATOM 0 HE ARG A 129 -21.688 -1.707 5.897 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -23.247 -2.058 2.748 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -23.260 -3.823 2.823 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -21.711 -3.975 5.984 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -22.395 -4.903 4.646 1.00 0.00 H new ATOM 2089 N ALA A 130 -20.081 1.063 8.581 1.00 0.00 N ATOM 2090 CA ALA A 130 -20.648 0.972 9.919 1.00 0.00 C ATOM 2091 C ALA A 130 -20.614 2.324 10.621 1.00 0.00 C ATOM 2092 O ALA A 130 -21.508 2.654 11.400 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.904 -0.073 10.737 1.00 0.00 C ATOM 0 H ALA A 130 -19.259 0.478 8.430 1.00 0.00 H new ATOM 0 HA ALA A 130 -21.691 0.668 9.827 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -20.338 -0.131 11.735 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.987 -1.044 10.249 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.853 0.206 10.814 1.00 0.00 H new ATOM 2099 N GLU A 131 -19.574 3.103 10.337 1.00 0.00 N ATOM 2100 CA GLU A 131 -19.421 4.423 10.938 1.00 0.00 C ATOM 2101 C GLU A 131 -20.480 5.388 10.410 1.00 0.00 C ATOM 2102 O GLU A 131 -20.812 6.377 11.063 1.00 0.00 O ATOM 2103 CB GLU A 131 -18.025 4.979 10.651 1.00 0.00 C ATOM 2104 CG GLU A 131 -16.898 4.064 11.102 1.00 0.00 C ATOM 2105 CD GLU A 131 -16.940 3.776 12.590 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -16.408 4.595 13.368 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -17.505 2.731 12.977 1.00 0.00 O ATOM 0 H GLU A 131 -18.826 2.843 9.695 1.00 0.00 H new ATOM 0 HA GLU A 131 -19.551 4.320 12.015 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -17.928 5.159 9.580 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.919 5.944 11.147 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -16.956 3.125 10.552 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -15.941 4.522 10.851 1.00 0.00 H new