USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=23 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 62 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 122 LYS NZ :NH3+ 165:sc= -0.029 (180deg=-0.268) 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 K(o=0,f=-0.61) USER MOD Single : A 41 GLN : amide:sc= 0.0133 X(o=0.013,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.681 K(o=-0.68,f=-2.6!) USER MOD Single : A 45 MET CE :methyl 155:sc= -0.289 (180deg=-0.986) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 110:sc= -0.269 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 119:sc= 0.0596 USER MOD Single : A 58 ASN : amide:sc= -0.588 K(o=-0.59,f=-1.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0163 K(o=-0.016,f=-0.68) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -163:sc= -0.0854 (180deg=-0.44) USER MOD Single : A 76 TYR OH : rot -46:sc= 0.102 USER MOD Single : A 80 GLN : amide:sc= -0.505 X(o=-0.5,f=-0.16) USER MOD Single : A 83 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.059) USER MOD Single : A 89 ASN : amide:sc= -0.821 K(o=-0.82,f=-8.3!) USER MOD Single : A 90 MET CE :methyl -166:sc= 0 (180deg=-0.332) USER MOD Single : A 94 THR OG1 : rot -80:sc= 1.04 USER MOD Single : A 95 THR OG1 : rot 79:sc= 0.457 USER MOD Single : A 96 THR OG1 : rot 84:sc= 1.07 USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 99 HIS : no HD1:sc= -0.031 X(o=-0.031,f=-0.0048) USER MOD Single : A 100 HIS : no HE2:sc=-0.00391 K(o=-0.0039,f=-1) USER MOD Single : A 101 LYS NZ :NH3+ 165:sc= -0.0624 (180deg=-0.309) USER MOD Single : A 111 MET CE :methyl 133:sc= -0.208 (180deg=-0.979) USER MOD Single : A 114 THR OG1 : rot -82:sc= 0.557 USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.0488 USER MOD Single : A 124 MET CE :methyl 163:sc= -0.2 (180deg=-0.626) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 20.402 1.612 4.900 1.00 0.00 N ATOM 243 CA ALA A 19 19.681 2.803 5.336 1.00 0.00 C ATOM 244 C ALA A 19 18.617 3.212 4.322 1.00 0.00 C ATOM 245 O ALA A 19 17.653 3.897 4.664 1.00 0.00 O ATOM 246 CB ALA A 19 20.653 3.947 5.574 1.00 0.00 C ATOM 0 HA ALA A 19 19.175 2.566 6.272 1.00 0.00 H new ATOM 0 HB1 ALA A 19 20.103 4.830 5.899 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.369 3.662 6.345 1.00 0.00 H new ATOM 0 HB3 ALA A 19 21.185 4.171 4.649 1.00 0.00 H new ATOM 252 N GLU A 20 18.799 2.790 3.072 1.00 0.00 N ATOM 253 CA GLU A 20 17.859 3.122 2.007 1.00 0.00 C ATOM 254 C GLU A 20 16.443 2.676 2.362 1.00 0.00 C ATOM 255 O GLU A 20 15.473 3.367 2.051 1.00 0.00 O ATOM 256 CB GLU A 20 18.295 2.473 0.692 1.00 0.00 C ATOM 257 CG GLU A 20 17.422 2.854 -0.494 1.00 0.00 C ATOM 258 CD GLU A 20 17.975 2.348 -1.812 1.00 0.00 C ATOM 259 OE1 GLU A 20 17.643 1.206 -2.195 1.00 0.00 O ATOM 260 OE2 GLU A 20 18.739 3.092 -2.462 1.00 0.00 O ATOM 0 H GLU A 20 19.589 2.218 2.774 1.00 0.00 H new ATOM 0 HA GLU A 20 17.857 4.206 1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.326 2.758 0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.281 1.389 0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 20 16.420 2.452 -0.347 1.00 0.00 H new ATOM 0 HG3 GLU A 20 17.327 3.939 -0.537 1.00 0.00 H new ATOM 267 N PHE A 21 16.326 1.520 3.014 1.00 0.00 N ATOM 268 CA PHE A 21 15.021 1.001 3.411 1.00 0.00 C ATOM 269 C PHE A 21 14.269 2.021 4.261 1.00 0.00 C ATOM 270 O PHE A 21 13.130 2.377 3.956 1.00 0.00 O ATOM 271 CB PHE A 21 15.171 -0.311 4.185 1.00 0.00 C ATOM 272 CG PHE A 21 13.861 -0.882 4.652 1.00 0.00 C ATOM 273 CD1 PHE A 21 13.062 -1.615 3.790 1.00 0.00 C ATOM 274 CD2 PHE A 21 13.430 -0.679 5.952 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.857 -2.138 4.216 1.00 0.00 C ATOM 276 CE2 PHE A 21 12.225 -1.199 6.385 1.00 0.00 C ATOM 277 CZ PHE A 21 11.438 -1.929 5.516 1.00 0.00 C ATOM 0 H PHE A 21 17.115 0.929 3.277 1.00 0.00 H new ATOM 0 HA PHE A 21 14.448 0.809 2.504 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.673 -1.043 3.551 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.814 -0.143 5.049 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.385 -1.779 2.773 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.042 -0.108 6.635 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.244 -2.709 3.535 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.899 -1.035 7.402 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.496 -2.336 5.852 1.00 0.00 H new ATOM 287 N ASP A 22 14.914 2.486 5.327 1.00 0.00 N ATOM 288 CA ASP A 22 14.309 3.469 6.221 1.00 0.00 C ATOM 289 C ASP A 22 13.907 4.724 5.455 1.00 0.00 C ATOM 290 O ASP A 22 12.869 5.328 5.730 1.00 0.00 O ATOM 291 CB ASP A 22 15.280 3.835 7.346 1.00 0.00 C ATOM 292 CG ASP A 22 15.675 2.635 8.184 1.00 0.00 C ATOM 293 OD1 ASP A 22 16.616 1.917 7.786 1.00 0.00 O ATOM 294 OD2 ASP A 22 15.044 2.414 9.239 1.00 0.00 O ATOM 0 H ASP A 22 15.856 2.198 5.593 1.00 0.00 H new ATOM 0 HA ASP A 22 13.413 3.025 6.654 1.00 0.00 H new ATOM 0 HB2 ASP A 22 16.175 4.285 6.917 1.00 0.00 H new ATOM 0 HB3 ASP A 22 14.821 4.587 7.988 1.00 0.00 H new ATOM 299 N ALA A 23 14.741 5.112 4.493 1.00 0.00 N ATOM 300 CA ALA A 23 14.476 6.293 3.682 1.00 0.00 C ATOM 301 C ALA A 23 13.141 6.170 2.959 1.00 0.00 C ATOM 302 O ALA A 23 12.350 7.114 2.930 1.00 0.00 O ATOM 303 CB ALA A 23 15.601 6.507 2.681 1.00 0.00 C ATOM 0 H ALA A 23 15.605 4.624 4.258 1.00 0.00 H new ATOM 0 HA ALA A 23 14.424 7.157 4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.391 7.393 2.081 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.541 6.645 3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.678 5.637 2.029 1.00 0.00 H new ATOM 309 N VAL A 24 12.894 5.000 2.378 1.00 0.00 N ATOM 310 CA VAL A 24 11.653 4.752 1.655 1.00 0.00 C ATOM 311 C VAL A 24 10.448 4.865 2.583 1.00 0.00 C ATOM 312 O VAL A 24 9.420 5.431 2.211 1.00 0.00 O ATOM 313 CB VAL A 24 11.653 3.361 0.993 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.361 3.133 0.223 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.858 3.206 0.078 1.00 0.00 C ATOM 0 H VAL A 24 13.538 4.209 2.394 1.00 0.00 H new ATOM 0 HA VAL A 24 11.582 5.512 0.877 1.00 0.00 H new ATOM 0 HB VAL A 24 11.719 2.607 1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.381 2.145 -0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.514 3.198 0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.261 3.892 -0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.842 2.217 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.824 3.968 -0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.773 3.321 0.659 1.00 0.00 H new ATOM 325 N VAL A 25 10.581 4.322 3.790 1.00 0.00 N ATOM 326 CA VAL A 25 9.501 4.368 4.769 1.00 0.00 C ATOM 327 C VAL A 25 9.068 5.807 5.028 1.00 0.00 C ATOM 328 O VAL A 25 7.879 6.095 5.165 1.00 0.00 O ATOM 329 CB VAL A 25 9.916 3.718 6.103 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.762 3.748 7.094 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.393 2.291 5.877 1.00 0.00 C ATOM 0 H VAL A 25 11.424 3.846 4.112 1.00 0.00 H new ATOM 0 HA VAL A 25 8.667 3.805 4.350 1.00 0.00 H new ATOM 0 HB VAL A 25 10.742 4.292 6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.074 3.285 8.030 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.469 4.781 7.281 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.915 3.200 6.682 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.682 1.849 6.830 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.588 1.704 5.434 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.251 2.296 5.205 1.00 0.00 H new ATOM 341 N GLY A 26 10.045 6.706 5.090 1.00 0.00 N ATOM 342 CA GLY A 26 9.750 8.107 5.327 1.00 0.00 C ATOM 343 C GLY A 26 8.987 8.737 4.179 1.00 0.00 C ATOM 344 O GLY A 26 7.987 9.424 4.394 1.00 0.00 O ATOM 0 H GLY A 26 11.036 6.489 4.980 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.168 8.203 6.243 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.682 8.651 5.483 1.00 0.00 H new ATOM 348 N TYR A 27 9.457 8.502 2.956 1.00 0.00 N ATOM 349 CA TYR A 27 8.808 9.050 1.771 1.00 0.00 C ATOM 350 C TYR A 27 7.349 8.610 1.702 1.00 0.00 C ATOM 351 O TYR A 27 6.486 9.359 1.243 1.00 0.00 O ATOM 352 CB TYR A 27 9.543 8.611 0.499 1.00 0.00 C ATOM 353 CG TYR A 27 10.967 9.119 0.404 1.00 0.00 C ATOM 354 CD1 TYR A 27 11.273 10.448 0.678 1.00 0.00 C ATOM 355 CD2 TYR A 27 12.004 8.271 0.034 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.572 10.915 0.586 1.00 0.00 C ATOM 357 CE2 TYR A 27 13.304 8.731 -0.058 1.00 0.00 C ATOM 358 CZ TYR A 27 13.582 10.053 0.219 1.00 0.00 C ATOM 359 OH TYR A 27 14.875 10.514 0.128 1.00 0.00 O ATOM 0 H TYR A 27 10.283 7.937 2.761 1.00 0.00 H new ATOM 0 HA TYR A 27 8.845 10.137 1.842 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.553 7.522 0.455 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.985 8.960 -0.370 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.484 11.126 0.967 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.790 7.235 -0.185 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.793 11.950 0.801 1.00 0.00 H new ATOM 0 HE2 TYR A 27 14.098 8.058 -0.345 1.00 0.00 H new ATOM 0 HH TYR A 27 15.466 9.780 -0.141 1.00 0.00 H new ATOM 369 N LEU A 28 7.081 7.394 2.166 1.00 0.00 N ATOM 370 CA LEU A 28 5.727 6.851 2.157 1.00 0.00 C ATOM 371 C LEU A 28 4.815 7.636 3.096 1.00 0.00 C ATOM 372 O LEU A 28 3.710 8.025 2.717 1.00 0.00 O ATOM 373 CB LEU A 28 5.743 5.375 2.560 1.00 0.00 C ATOM 374 CG LEU A 28 6.427 4.438 1.563 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.499 3.026 2.122 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.692 4.444 0.230 1.00 0.00 C ATOM 0 H LEU A 28 7.784 6.765 2.553 1.00 0.00 H new ATOM 0 HA LEU A 28 5.336 6.940 1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.244 5.283 3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.715 5.042 2.702 1.00 0.00 H new ATOM 0 HG LEU A 28 7.443 4.797 1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.989 2.373 1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.069 3.031 3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.491 2.660 2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.194 3.771 -0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.665 4.111 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.690 5.454 -0.180 1.00 0.00 H new ATOM 388 N GLU A 29 5.285 7.866 4.319 1.00 0.00 N ATOM 389 CA GLU A 29 4.510 8.603 5.314 1.00 0.00 C ATOM 390 C GLU A 29 4.076 9.964 4.777 1.00 0.00 C ATOM 391 O GLU A 29 2.941 10.389 4.989 1.00 0.00 O ATOM 392 CB GLU A 29 5.324 8.787 6.595 1.00 0.00 C ATOM 393 CG GLU A 29 5.601 7.488 7.332 1.00 0.00 C ATOM 394 CD GLU A 29 6.413 7.697 8.595 1.00 0.00 C ATOM 395 OE1 GLU A 29 5.823 8.093 9.623 1.00 0.00 O ATOM 396 OE2 GLU A 29 7.639 7.464 8.557 1.00 0.00 O ATOM 0 H GLU A 29 6.199 7.553 4.645 1.00 0.00 H new ATOM 0 HA GLU A 29 3.616 8.020 5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.272 9.264 6.347 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.790 9.466 7.260 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.655 7.010 7.587 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.134 6.805 6.670 1.00 0.00 H new ATOM 403 N ASP A 30 4.988 10.644 4.088 1.00 0.00 N ATOM 404 CA ASP A 30 4.694 11.957 3.524 1.00 0.00 C ATOM 405 C ASP A 30 3.563 11.875 2.504 1.00 0.00 C ATOM 406 O ASP A 30 2.763 12.802 2.375 1.00 0.00 O ATOM 407 CB ASP A 30 5.945 12.550 2.871 1.00 0.00 C ATOM 408 CG ASP A 30 7.038 12.845 3.879 1.00 0.00 C ATOM 409 OD1 ASP A 30 6.920 13.854 4.604 1.00 0.00 O ATOM 410 OD2 ASP A 30 8.014 12.067 3.942 1.00 0.00 O ATOM 0 H ASP A 30 5.934 10.308 3.907 1.00 0.00 H new ATOM 0 HA ASP A 30 4.375 12.608 4.338 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.324 11.856 2.121 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.678 13.469 2.349 1.00 0.00 H new ATOM 415 N ILE A 31 3.500 10.759 1.784 1.00 0.00 N ATOM 416 CA ILE A 31 2.466 10.557 0.777 1.00 0.00 C ATOM 417 C ILE A 31 1.120 10.241 1.427 1.00 0.00 C ATOM 418 O ILE A 31 0.076 10.694 0.962 1.00 0.00 O ATOM 419 CB ILE A 31 2.841 9.417 -0.192 1.00 0.00 C ATOM 420 CG1 ILE A 31 4.179 9.719 -0.872 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.745 9.219 -1.231 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.736 8.556 -1.667 1.00 0.00 C ATOM 0 H ILE A 31 4.153 9.981 1.880 1.00 0.00 H new ATOM 0 HA ILE A 31 2.384 11.487 0.215 1.00 0.00 H new ATOM 0 HB ILE A 31 2.943 8.494 0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.054 10.574 -1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.905 10.009 -0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.026 8.411 -1.907 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.811 8.965 -0.730 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.613 10.139 -1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.685 8.845 -2.119 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.895 7.705 -1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.030 8.279 -2.450 1.00 0.00 H new ATOM 434 N ILE A 32 1.155 9.464 2.506 1.00 0.00 N ATOM 435 CA ILE A 32 -0.063 9.089 3.217 1.00 0.00 C ATOM 436 C ILE A 32 -0.719 10.305 3.863 1.00 0.00 C ATOM 437 O ILE A 32 -1.944 10.380 3.968 1.00 0.00 O ATOM 438 CB ILE A 32 0.224 8.034 4.304 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.880 6.798 3.685 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.062 7.651 5.027 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.351 5.783 4.705 1.00 0.00 C ATOM 0 H ILE A 32 2.012 9.082 2.906 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.743 8.663 2.479 1.00 0.00 H new ATOM 0 HB ILE A 32 0.913 8.463 5.032 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.169 6.320 3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.730 7.113 3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.842 6.905 5.791 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.493 8.535 5.497 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.773 7.238 4.311 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.805 4.935 4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.086 6.244 5.364 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.501 5.438 5.294 1.00 0.00 H new ATOM 453 N MET A 33 0.103 11.258 4.290 1.00 0.00 N ATOM 454 CA MET A 33 -0.398 12.468 4.931 1.00 0.00 C ATOM 455 C MET A 33 -0.595 13.590 3.916 1.00 0.00 C ATOM 456 O MET A 33 -0.847 14.736 4.288 1.00 0.00 O ATOM 457 CB MET A 33 0.563 12.921 6.031 1.00 0.00 C ATOM 458 CG MET A 33 0.698 11.921 7.167 1.00 0.00 C ATOM 459 SD MET A 33 1.806 12.493 8.469 1.00 0.00 S ATOM 460 CE MET A 33 1.673 11.143 9.639 1.00 0.00 C ATOM 0 H MET A 33 1.118 11.216 4.204 1.00 0.00 H new ATOM 0 HA MET A 33 -1.367 12.236 5.374 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.546 13.097 5.594 1.00 0.00 H new ATOM 0 HB3 MET A 33 0.218 13.873 6.435 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.286 11.726 7.593 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.067 10.975 6.771 1.00 0.00 H new ATOM 0 HE1 MET A 33 2.303 11.348 10.504 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.637 11.041 9.961 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.998 10.217 9.165 1.00 0.00 H new ATOM 470 N ASP A 34 -0.483 13.257 2.634 1.00 0.00 N ATOM 471 CA ASP A 34 -0.651 14.245 1.575 1.00 0.00 C ATOM 472 C ASP A 34 -2.130 14.511 1.313 1.00 0.00 C ATOM 473 O ASP A 34 -2.941 13.584 1.278 1.00 0.00 O ATOM 474 CB ASP A 34 0.032 13.776 0.289 1.00 0.00 C ATOM 475 CG ASP A 34 0.366 14.930 -0.636 1.00 0.00 C ATOM 476 OD1 ASP A 34 -0.518 15.783 -0.865 1.00 0.00 O ATOM 477 OD2 ASP A 34 1.512 14.982 -1.130 1.00 0.00 O ATOM 0 H ASP A 34 -0.277 12.314 2.304 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.183 15.173 1.903 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.946 13.238 0.541 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.619 13.073 -0.231 1.00 0.00 H new ATOM 482 N ASP A 35 -2.473 15.781 1.127 1.00 0.00 N ATOM 483 CA ASP A 35 -3.855 16.180 0.878 1.00 0.00 C ATOM 484 C ASP A 35 -4.426 15.483 -0.354 1.00 0.00 C ATOM 485 O ASP A 35 -5.531 14.939 -0.311 1.00 0.00 O ATOM 486 CB ASP A 35 -3.944 17.697 0.703 1.00 0.00 C ATOM 487 CG ASP A 35 -5.362 18.166 0.437 1.00 0.00 C ATOM 488 OD1 ASP A 35 -6.111 18.377 1.413 1.00 0.00 O ATOM 489 OD2 ASP A 35 -5.723 18.320 -0.749 1.00 0.00 O ATOM 0 H ASP A 35 -1.810 16.556 1.144 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.447 15.879 1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.565 18.186 1.600 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.302 18.003 -0.123 1.00 0.00 H new ATOM 494 N GLU A 36 -3.671 15.501 -1.448 1.00 0.00 N ATOM 495 CA GLU A 36 -4.110 14.876 -2.693 1.00 0.00 C ATOM 496 C GLU A 36 -4.354 13.381 -2.504 1.00 0.00 C ATOM 497 O GLU A 36 -5.164 12.780 -3.212 1.00 0.00 O ATOM 498 CB GLU A 36 -3.075 15.100 -3.797 1.00 0.00 C ATOM 499 CG GLU A 36 -1.737 14.431 -3.528 1.00 0.00 C ATOM 500 CD GLU A 36 -0.689 14.782 -4.567 1.00 0.00 C ATOM 501 OE1 GLU A 36 -0.657 14.119 -5.625 1.00 0.00 O ATOM 502 OE2 GLU A 36 0.098 15.719 -4.323 1.00 0.00 O ATOM 0 H GLU A 36 -2.752 15.941 -1.499 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.051 15.342 -2.986 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.475 14.725 -4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.917 16.171 -3.922 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.379 14.727 -2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.874 13.350 -3.506 1.00 0.00 H new ATOM 509 N PHE A 37 -3.654 12.787 -1.544 1.00 0.00 N ATOM 510 CA PHE A 37 -3.793 11.363 -1.267 1.00 0.00 C ATOM 511 C PHE A 37 -5.071 11.080 -0.482 1.00 0.00 C ATOM 512 O PHE A 37 -5.731 10.065 -0.702 1.00 0.00 O ATOM 513 CB PHE A 37 -2.577 10.852 -0.494 1.00 0.00 C ATOM 514 CG PHE A 37 -2.649 9.389 -0.156 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.386 8.427 -1.119 1.00 0.00 C ATOM 516 CD2 PHE A 37 -2.977 8.977 1.125 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.451 7.082 -0.810 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.043 7.634 1.440 1.00 0.00 C ATOM 519 CZ PHE A 37 -2.780 6.684 0.471 1.00 0.00 C ATOM 0 H PHE A 37 -2.985 13.270 -0.945 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.854 10.838 -2.220 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.679 11.036 -1.083 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.476 11.425 0.428 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.127 8.732 -2.122 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.184 9.715 1.886 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.245 6.342 -1.570 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.300 7.326 2.443 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.832 5.633 0.715 1.00 0.00 H new ATOM 529 N GLN A 38 -5.414 11.983 0.432 1.00 0.00 N ATOM 530 CA GLN A 38 -6.616 11.825 1.244 1.00 0.00 C ATOM 531 C GLN A 38 -7.870 11.940 0.384 1.00 0.00 C ATOM 532 O GLN A 38 -8.774 11.108 0.469 1.00 0.00 O ATOM 533 CB GLN A 38 -6.648 12.877 2.355 1.00 0.00 C ATOM 534 CG GLN A 38 -5.457 12.804 3.296 1.00 0.00 C ATOM 535 CD GLN A 38 -5.489 13.878 4.365 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.558 14.322 4.786 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.313 14.305 4.809 1.00 0.00 N ATOM 0 H GLN A 38 -4.879 12.829 0.628 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.594 10.832 1.694 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.684 13.869 1.904 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.565 12.756 2.932 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.435 11.824 3.772 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.537 12.899 2.719 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.452 13.910 4.432 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.271 15.029 5.527 1.00 0.00 H new ATOM 546 N LEU A 39 -7.914 12.978 -0.446 1.00 0.00 N ATOM 547 CA LEU A 39 -9.053 13.214 -1.326 1.00 0.00 C ATOM 548 C LEU A 39 -9.226 12.067 -2.317 1.00 0.00 C ATOM 549 O LEU A 39 -10.344 11.625 -2.581 1.00 0.00 O ATOM 550 CB LEU A 39 -8.868 14.531 -2.084 1.00 0.00 C ATOM 551 CG LEU A 39 -9.950 14.844 -3.120 1.00 0.00 C ATOM 552 CD1 LEU A 39 -11.280 15.122 -2.439 1.00 0.00 C ATOM 553 CD2 LEU A 39 -9.532 16.025 -3.985 1.00 0.00 C ATOM 0 H LEU A 39 -7.170 13.672 -0.527 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.950 13.275 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.833 15.346 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.901 14.510 -2.587 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.073 13.973 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.036 15.342 -3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.585 14.247 -1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.175 15.976 -1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.312 16.234 -4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.380 16.902 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.604 15.786 -4.504 1.00 0.00 H new ATOM 565 N LEU A 40 -8.112 11.593 -2.861 1.00 0.00 N ATOM 566 CA LEU A 40 -8.133 10.503 -3.832 1.00 0.00 C ATOM 567 C LEU A 40 -8.659 9.212 -3.209 1.00 0.00 C ATOM 568 O LEU A 40 -9.580 8.590 -3.736 1.00 0.00 O ATOM 569 CB LEU A 40 -6.728 10.284 -4.401 1.00 0.00 C ATOM 570 CG LEU A 40 -6.591 9.121 -5.388 1.00 0.00 C ATOM 571 CD1 LEU A 40 -5.600 9.472 -6.487 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.152 7.857 -4.664 1.00 0.00 C ATOM 0 H LEU A 40 -7.180 11.947 -2.646 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.809 10.782 -4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.410 11.200 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.041 10.117 -3.572 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.564 8.939 -5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.514 8.635 -7.180 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.950 10.354 -7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.625 9.679 -6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.060 7.041 -5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.189 8.029 -4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.893 7.595 -3.909 1.00 0.00 H new ATOM 584 N GLN A 41 -8.069 8.817 -2.085 1.00 0.00 N ATOM 585 CA GLN A 41 -8.470 7.594 -1.396 1.00 0.00 C ATOM 586 C GLN A 41 -9.969 7.582 -1.098 1.00 0.00 C ATOM 587 O GLN A 41 -10.671 6.634 -1.450 1.00 0.00 O ATOM 588 CB GLN A 41 -7.681 7.435 -0.095 1.00 0.00 C ATOM 589 CG GLN A 41 -8.004 6.157 0.663 1.00 0.00 C ATOM 590 CD GLN A 41 -7.202 6.017 1.941 1.00 0.00 C ATOM 591 OE1 GLN A 41 -7.623 6.470 3.005 1.00 0.00 O ATOM 592 NE2 GLN A 41 -6.036 5.388 1.843 1.00 0.00 N ATOM 0 H GLN A 41 -7.311 9.326 -1.631 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.250 6.756 -2.058 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.615 7.453 -0.322 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.884 8.290 0.549 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.067 6.140 0.902 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.808 5.299 0.020 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.725 5.028 0.941 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.452 5.265 2.670 1.00 0.00 H new ATOM 601 N ARG A 42 -10.452 8.637 -0.451 1.00 0.00 N ATOM 602 CA ARG A 42 -11.867 8.739 -0.099 1.00 0.00 C ATOM 603 C ARG A 42 -12.750 8.789 -1.343 1.00 0.00 C ATOM 604 O ARG A 42 -13.882 8.305 -1.328 1.00 0.00 O ATOM 605 CB ARG A 42 -12.112 9.980 0.760 1.00 0.00 C ATOM 606 CG ARG A 42 -11.357 9.970 2.079 1.00 0.00 C ATOM 607 CD ARG A 42 -11.708 11.180 2.929 1.00 0.00 C ATOM 608 NE ARG A 42 -10.980 11.194 4.195 1.00 0.00 N ATOM 609 CZ ARG A 42 -11.325 11.945 5.236 1.00 0.00 C ATOM 610 NH1 ARG A 42 -12.389 12.734 5.166 1.00 0.00 N ATOM 611 NH2 ARG A 42 -10.606 11.906 6.350 1.00 0.00 N ATOM 0 H ARG A 42 -9.886 9.434 -0.159 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.131 7.847 0.470 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.824 10.866 0.194 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.179 10.065 0.963 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.592 9.058 2.627 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.284 9.958 1.886 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.484 12.090 2.373 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.780 11.184 3.128 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.160 10.594 4.285 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.945 12.766 4.312 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.651 13.309 5.967 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.788 11.300 6.408 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.871 12.483 7.149 1.00 0.00 H new ATOM 625 N ASN A 43 -12.228 9.378 -2.415 1.00 0.00 N ATOM 626 CA ASN A 43 -12.977 9.500 -3.662 1.00 0.00 C ATOM 627 C ASN A 43 -13.372 8.131 -4.212 1.00 0.00 C ATOM 628 O ASN A 43 -14.530 7.906 -4.562 1.00 0.00 O ATOM 629 CB ASN A 43 -12.148 10.256 -4.704 1.00 0.00 C ATOM 630 CG ASN A 43 -12.951 10.616 -5.939 1.00 0.00 C ATOM 631 OD1 ASN A 43 -13.880 9.905 -6.323 1.00 0.00 O ATOM 632 ND2 ASN A 43 -12.596 11.729 -6.571 1.00 0.00 N ATOM 0 H ASN A 43 -11.290 9.778 -2.445 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.889 10.057 -3.448 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.750 11.166 -4.256 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.294 9.645 -4.996 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.100 12.023 -7.408 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.820 12.290 -6.219 1.00 0.00 H new ATOM 639 N PHE A 44 -12.405 7.223 -4.284 1.00 0.00 N ATOM 640 CA PHE A 44 -12.655 5.882 -4.806 1.00 0.00 C ATOM 641 C PHE A 44 -13.333 4.992 -3.771 1.00 0.00 C ATOM 642 O PHE A 44 -14.216 4.204 -4.108 1.00 0.00 O ATOM 643 CB PHE A 44 -11.348 5.249 -5.287 1.00 0.00 C ATOM 644 CG PHE A 44 -10.796 5.908 -6.518 1.00 0.00 C ATOM 645 CD1 PHE A 44 -11.221 5.516 -7.778 1.00 0.00 C ATOM 646 CD2 PHE A 44 -9.863 6.927 -6.418 1.00 0.00 C ATOM 647 CE1 PHE A 44 -10.724 6.127 -8.914 1.00 0.00 C ATOM 648 CE2 PHE A 44 -9.361 7.541 -7.550 1.00 0.00 C ATOM 649 CZ PHE A 44 -9.792 7.141 -8.799 1.00 0.00 C ATOM 0 H PHE A 44 -11.443 7.389 -3.989 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.336 5.975 -5.652 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.608 5.305 -4.489 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.516 4.192 -5.492 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -11.949 4.724 -7.873 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.524 7.246 -5.443 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -11.063 5.812 -9.890 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.632 8.333 -7.457 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.401 7.620 -9.685 1.00 0.00 H new ATOM 659 N MET A 45 -12.925 5.115 -2.510 1.00 0.00 N ATOM 660 CA MET A 45 -13.513 4.313 -1.442 1.00 0.00 C ATOM 661 C MET A 45 -15.014 4.564 -1.342 1.00 0.00 C ATOM 662 O MET A 45 -15.764 3.713 -0.867 1.00 0.00 O ATOM 663 CB MET A 45 -12.844 4.619 -0.100 1.00 0.00 C ATOM 664 CG MET A 45 -11.479 3.970 0.063 1.00 0.00 C ATOM 665 SD MET A 45 -10.882 4.020 1.765 1.00 0.00 S ATOM 666 CE MET A 45 -12.122 3.027 2.596 1.00 0.00 C ATOM 0 H MET A 45 -12.194 5.758 -2.205 1.00 0.00 H new ATOM 0 HA MET A 45 -13.347 3.263 -1.684 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.738 5.699 0.006 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.496 4.282 0.706 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.533 2.933 -0.268 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.762 4.475 -0.584 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.696 2.597 3.502 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.974 3.654 2.858 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.450 2.226 1.934 1.00 0.00 H new ATOM 676 N ASP A 46 -15.444 5.738 -1.792 1.00 0.00 N ATOM 677 CA ASP A 46 -16.855 6.102 -1.764 1.00 0.00 C ATOM 678 C ASP A 46 -17.686 5.111 -2.573 1.00 0.00 C ATOM 679 O ASP A 46 -18.858 4.877 -2.278 1.00 0.00 O ATOM 680 CB ASP A 46 -17.049 7.518 -2.311 1.00 0.00 C ATOM 681 CG ASP A 46 -18.507 7.931 -2.342 1.00 0.00 C ATOM 682 OD1 ASP A 46 -18.999 8.449 -1.317 1.00 0.00 O ATOM 683 OD2 ASP A 46 -19.157 7.737 -3.390 1.00 0.00 O ATOM 0 H ASP A 46 -14.833 6.456 -2.182 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.194 6.072 -0.728 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.488 8.222 -1.696 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.637 7.575 -3.318 1.00 0.00 H new ATOM 688 N LYS A 47 -17.071 4.542 -3.603 1.00 0.00 N ATOM 689 CA LYS A 47 -17.746 3.577 -4.463 1.00 0.00 C ATOM 690 C LYS A 47 -17.583 2.156 -3.929 1.00 0.00 C ATOM 691 O LYS A 47 -18.562 1.435 -3.739 1.00 0.00 O ATOM 692 CB LYS A 47 -17.180 3.654 -5.884 1.00 0.00 C ATOM 693 CG LYS A 47 -18.105 3.077 -6.947 1.00 0.00 C ATOM 694 CD LYS A 47 -19.382 3.891 -7.084 1.00 0.00 C ATOM 695 CE LYS A 47 -20.267 3.355 -8.199 1.00 0.00 C ATOM 696 NZ LYS A 47 -21.527 4.136 -8.336 1.00 0.00 N ATOM 0 H LYS A 47 -16.103 4.733 -3.864 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.808 3.824 -4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.970 4.696 -6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.229 3.122 -5.916 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.586 3.050 -7.905 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.355 2.047 -6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -19.930 3.872 -6.142 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.131 4.932 -7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -19.719 3.382 -9.141 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -20.508 2.311 -8.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -22.100 3.737 -9.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -22.063 4.089 -7.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -21.299 5.128 -8.551 1.00 0.00 H new ATOM 710 N TYR A 48 -16.335 1.773 -3.680 1.00 0.00 N ATOM 711 CA TYR A 48 -16.012 0.434 -3.195 1.00 0.00 C ATOM 712 C TYR A 48 -16.767 0.086 -1.911 1.00 0.00 C ATOM 713 O TYR A 48 -17.424 -0.948 -1.834 1.00 0.00 O ATOM 714 CB TYR A 48 -14.505 0.309 -2.953 1.00 0.00 C ATOM 715 CG TYR A 48 -13.668 0.299 -4.217 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.745 1.337 -5.139 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.791 -0.747 -4.482 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.977 1.333 -6.286 1.00 0.00 C ATOM 719 CE2 TYR A 48 -12.018 -0.758 -5.629 1.00 0.00 C ATOM 720 CZ TYR A 48 -12.114 0.284 -6.527 1.00 0.00 C ATOM 721 OH TYR A 48 -11.344 0.275 -7.666 1.00 0.00 O ATOM 0 H TYR A 48 -15.523 2.377 -3.807 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.324 -0.270 -3.966 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.180 1.137 -2.323 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.313 -0.609 -2.397 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.418 2.161 -4.954 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.712 -1.564 -3.781 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.051 2.147 -6.991 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.343 -1.579 -5.820 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.405 0.419 -7.427 1.00 0.00 H new ATOM 731 N TYR A 49 -16.666 0.949 -0.908 1.00 0.00 N ATOM 732 CA TYR A 49 -17.325 0.708 0.374 1.00 0.00 C ATOM 733 C TYR A 49 -18.838 0.543 0.211 1.00 0.00 C ATOM 734 O TYR A 49 -19.481 -0.151 1.000 1.00 0.00 O ATOM 735 CB TYR A 49 -17.012 1.849 1.355 1.00 0.00 C ATOM 736 CG TYR A 49 -18.125 2.867 1.524 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.497 3.707 0.481 1.00 0.00 C ATOM 738 CD2 TYR A 49 -18.802 2.985 2.732 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.510 4.634 0.636 1.00 0.00 C ATOM 740 CE2 TYR A 49 -19.816 3.911 2.894 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.167 4.732 1.844 1.00 0.00 C ATOM 742 OH TYR A 49 -21.177 5.653 2.002 1.00 0.00 O ATOM 0 H TYR A 49 -16.137 1.820 -0.955 1.00 0.00 H new ATOM 0 HA TYR A 49 -16.935 -0.226 0.778 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -16.782 1.418 2.329 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.115 2.366 1.015 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -17.985 3.634 -0.467 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -18.532 2.343 3.557 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -19.786 5.279 -0.185 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -20.331 3.991 3.840 1.00 0.00 H new ATOM 0 HH TYR A 49 -21.536 5.592 2.912 1.00 0.00 H new ATOM 752 N LEU A 50 -19.398 1.181 -0.811 1.00 0.00 N ATOM 753 CA LEU A 50 -20.835 1.120 -1.056 1.00 0.00 C ATOM 754 C LEU A 50 -21.233 -0.145 -1.820 1.00 0.00 C ATOM 755 O LEU A 50 -22.260 -0.756 -1.524 1.00 0.00 O ATOM 756 CB LEU A 50 -21.287 2.387 -1.784 1.00 0.00 C ATOM 757 CG LEU A 50 -21.793 2.209 -3.211 1.00 0.00 C ATOM 758 CD1 LEU A 50 -23.248 1.766 -3.213 1.00 0.00 C ATOM 759 CD2 LEU A 50 -21.625 3.509 -3.966 1.00 0.00 C ATOM 0 H LEU A 50 -18.879 1.746 -1.483 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.346 1.068 -0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -22.078 2.853 -1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -20.451 3.086 -1.803 1.00 0.00 H new ATOM 0 HG LEU A 50 -21.210 1.432 -3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -23.590 1.645 -4.241 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -23.340 0.817 -2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -23.858 2.519 -2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -21.986 3.386 -4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -22.197 4.294 -3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -20.571 3.785 -3.984 1.00 0.00 H new ATOM 771 N GLU A 51 -20.423 -0.537 -2.798 1.00 0.00 N ATOM 772 CA GLU A 51 -20.714 -1.723 -3.599 1.00 0.00 C ATOM 773 C GLU A 51 -20.452 -2.999 -2.805 1.00 0.00 C ATOM 774 O GLU A 51 -21.200 -3.973 -2.906 1.00 0.00 O ATOM 775 CB GLU A 51 -19.877 -1.715 -4.882 1.00 0.00 C ATOM 776 CG GLU A 51 -18.388 -1.913 -4.651 1.00 0.00 C ATOM 777 CD GLU A 51 -17.586 -1.839 -5.937 1.00 0.00 C ATOM 778 OE1 GLU A 51 -18.159 -2.121 -7.009 1.00 0.00 O ATOM 779 OE2 GLU A 51 -16.388 -1.494 -5.870 1.00 0.00 O ATOM 0 H GLU A 51 -19.563 -0.053 -3.055 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.771 -1.701 -3.866 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -20.239 -2.501 -5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -20.031 -0.767 -5.398 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -18.027 -1.154 -3.957 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.222 -2.881 -4.178 1.00 0.00 H new ATOM 786 N PHE A 52 -19.388 -2.984 -2.015 1.00 0.00 N ATOM 787 CA PHE A 52 -19.023 -4.137 -1.200 1.00 0.00 C ATOM 788 C PHE A 52 -20.072 -4.403 -0.127 1.00 0.00 C ATOM 789 O PHE A 52 -20.027 -3.826 0.961 1.00 0.00 O ATOM 790 CB PHE A 52 -17.651 -3.923 -0.556 1.00 0.00 C ATOM 791 CG PHE A 52 -16.506 -4.397 -1.408 1.00 0.00 C ATOM 792 CD1 PHE A 52 -16.052 -3.634 -2.471 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.885 -5.606 -1.142 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.998 -4.067 -3.253 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.831 -6.046 -1.921 1.00 0.00 C ATOM 796 CZ PHE A 52 -14.387 -5.275 -2.978 1.00 0.00 C ATOM 0 H PHE A 52 -18.761 -2.185 -1.920 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.974 -5.009 -1.853 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.520 -2.862 -0.344 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.622 -4.445 0.400 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.527 -2.690 -2.691 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -16.228 -6.212 -0.317 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.652 -3.462 -4.078 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -14.355 -6.991 -1.704 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.564 -5.616 -3.588 1.00 0.00 H new ATOM 806 N GLU A 53 -21.024 -5.275 -0.447 1.00 0.00 N ATOM 807 CA GLU A 53 -22.090 -5.626 0.485 1.00 0.00 C ATOM 808 C GLU A 53 -21.935 -7.063 0.974 1.00 0.00 C ATOM 809 O GLU A 53 -21.520 -7.945 0.221 1.00 0.00 O ATOM 810 CB GLU A 53 -23.455 -5.444 -0.181 1.00 0.00 C ATOM 811 CG GLU A 53 -24.628 -5.740 0.739 1.00 0.00 C ATOM 812 CD GLU A 53 -25.967 -5.526 0.062 1.00 0.00 C ATOM 813 OE1 GLU A 53 -26.435 -6.450 -0.634 1.00 0.00 O ATOM 814 OE2 GLU A 53 -26.547 -4.433 0.227 1.00 0.00 O ATOM 0 H GLU A 53 -21.078 -5.752 -1.347 1.00 0.00 H new ATOM 0 HA GLU A 53 -22.021 -4.961 1.346 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.539 -4.420 -0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.514 -6.096 -1.052 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -24.561 -6.771 1.087 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -24.564 -5.102 1.620 1.00 0.00 H new ATOM 821 N ASP A 54 -22.273 -7.293 2.240 1.00 0.00 N ATOM 822 CA ASP A 54 -22.172 -8.621 2.832 1.00 0.00 C ATOM 823 C ASP A 54 -23.237 -9.554 2.263 1.00 0.00 C ATOM 824 O ASP A 54 -24.421 -9.427 2.581 1.00 0.00 O ATOM 825 CB ASP A 54 -22.312 -8.537 4.352 1.00 0.00 C ATOM 826 CG ASP A 54 -22.235 -9.899 5.015 1.00 0.00 C ATOM 827 OD1 ASP A 54 -21.108 -10.398 5.217 1.00 0.00 O ATOM 828 OD2 ASP A 54 -23.301 -10.466 5.334 1.00 0.00 O ATOM 0 H ASP A 54 -22.620 -6.574 2.876 1.00 0.00 H new ATOM 0 HA ASP A 54 -21.191 -9.026 2.586 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.526 -7.896 4.752 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -23.264 -8.068 4.601 1.00 0.00 H new ATOM 833 N THR A 55 -22.810 -10.487 1.419 1.00 0.00 N ATOM 834 CA THR A 55 -23.726 -11.444 0.806 1.00 0.00 C ATOM 835 C THR A 55 -23.250 -12.876 1.029 1.00 0.00 C ATOM 836 O THR A 55 -22.237 -13.107 1.690 1.00 0.00 O ATOM 837 CB THR A 55 -23.879 -11.190 -0.705 1.00 0.00 C ATOM 838 OG1 THR A 55 -22.600 -11.265 -1.348 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.505 -9.827 -0.963 1.00 0.00 C ATOM 0 H THR A 55 -21.835 -10.602 1.143 1.00 0.00 H new ATOM 0 HA THR A 55 -24.696 -11.308 1.285 1.00 0.00 H new ATOM 0 HB THR A 55 -24.535 -11.957 -1.116 1.00 0.00 H new ATOM 0 HG1 THR A 55 -22.609 -11.986 -2.012 1.00 0.00 H new ATOM 0 HG21 THR A 55 -24.603 -9.669 -2.037 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.490 -9.785 -0.498 1.00 0.00 H new ATOM 0 HG23 THR A 55 -23.870 -9.049 -0.539 1.00 0.00 H new ATOM 847 N GLU A 56 -23.986 -13.836 0.475 1.00 0.00 N ATOM 848 CA GLU A 56 -23.638 -15.246 0.618 1.00 0.00 C ATOM 849 C GLU A 56 -23.124 -15.825 -0.696 1.00 0.00 C ATOM 850 O GLU A 56 -22.464 -16.864 -0.709 1.00 0.00 O ATOM 851 CB GLU A 56 -24.848 -16.047 1.102 1.00 0.00 C ATOM 852 CG GLU A 56 -26.071 -15.904 0.209 1.00 0.00 C ATOM 853 CD GLU A 56 -27.241 -16.742 0.686 1.00 0.00 C ATOM 854 OE1 GLU A 56 -28.013 -16.252 1.536 1.00 0.00 O ATOM 855 OE2 GLU A 56 -27.385 -17.888 0.210 1.00 0.00 O ATOM 0 H GLU A 56 -24.826 -13.663 -0.077 1.00 0.00 H new ATOM 0 HA GLU A 56 -22.841 -15.318 1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -24.575 -17.100 1.163 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -25.106 -15.725 2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -26.370 -14.856 0.173 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -25.810 -16.196 -0.808 1.00 0.00 H new ATOM 862 N GLU A 57 -23.431 -15.149 -1.799 1.00 0.00 N ATOM 863 CA GLU A 57 -22.997 -15.600 -3.117 1.00 0.00 C ATOM 864 C GLU A 57 -21.914 -14.686 -3.678 1.00 0.00 C ATOM 865 O GLU A 57 -22.040 -13.461 -3.640 1.00 0.00 O ATOM 866 CB GLU A 57 -24.184 -15.653 -4.080 1.00 0.00 C ATOM 867 CG GLU A 57 -25.264 -16.638 -3.662 1.00 0.00 C ATOM 868 CD GLU A 57 -26.419 -16.689 -4.644 1.00 0.00 C ATOM 869 OE1 GLU A 57 -26.354 -17.495 -5.596 1.00 0.00 O ATOM 870 OE2 GLU A 57 -27.388 -15.922 -4.461 1.00 0.00 O ATOM 0 H GLU A 57 -23.978 -14.288 -1.806 1.00 0.00 H new ATOM 0 HA GLU A 57 -22.581 -16.602 -3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -24.622 -14.658 -4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -23.824 -15.922 -5.073 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -24.827 -17.632 -3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -25.641 -16.362 -2.677 1.00 0.00 H new ATOM 877 N ASN A 58 -20.850 -15.290 -4.199 1.00 0.00 N ATOM 878 CA ASN A 58 -19.743 -14.531 -4.769 1.00 0.00 C ATOM 879 C ASN A 58 -20.067 -14.083 -6.191 1.00 0.00 C ATOM 880 O ASN A 58 -20.930 -14.660 -6.853 1.00 0.00 O ATOM 881 CB ASN A 58 -18.462 -15.371 -4.760 1.00 0.00 C ATOM 882 CG ASN A 58 -18.656 -16.738 -5.388 1.00 0.00 C ATOM 883 OD1 ASN A 58 -19.463 -16.908 -6.301 1.00 0.00 O ATOM 884 ND2 ASN A 58 -17.914 -17.724 -4.897 1.00 0.00 N ATOM 0 H ASN A 58 -20.732 -16.302 -4.238 1.00 0.00 H new ATOM 0 HA ASN A 58 -19.588 -13.643 -4.156 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.678 -14.837 -5.297 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.119 -15.493 -3.733 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -18.001 -18.666 -5.278 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.257 -17.539 -4.139 1.00 0.00 H new ATOM 891 N LYS A 59 -19.368 -13.051 -6.657 1.00 0.00 N ATOM 892 CA LYS A 59 -19.586 -12.527 -8.002 1.00 0.00 C ATOM 893 C LYS A 59 -18.268 -12.384 -8.756 1.00 0.00 C ATOM 894 O LYS A 59 -17.202 -12.265 -8.152 1.00 0.00 O ATOM 895 CB LYS A 59 -20.291 -11.171 -7.937 1.00 0.00 C ATOM 896 CG LYS A 59 -21.639 -11.214 -7.237 1.00 0.00 C ATOM 897 CD LYS A 59 -22.285 -9.838 -7.194 1.00 0.00 C ATOM 898 CE LYS A 59 -23.613 -9.868 -6.455 1.00 0.00 C ATOM 899 NZ LYS A 59 -24.261 -8.527 -6.418 1.00 0.00 N ATOM 0 H LYS A 59 -18.648 -12.563 -6.125 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.217 -13.236 -8.538 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.646 -10.461 -7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.430 -10.795 -8.951 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.298 -11.911 -7.755 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.512 -11.590 -6.222 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -21.611 -9.134 -6.705 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -22.441 -9.476 -8.210 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -24.281 -10.580 -6.939 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -23.453 -10.222 -5.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -25.163 -8.592 -5.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.635 -7.852 -5.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.437 -8.200 -7.389 1.00 0.00 H new ATOM 913 N LEU A 60 -18.352 -12.405 -10.083 1.00 0.00 N ATOM 914 CA LEU A 60 -17.172 -12.273 -10.930 1.00 0.00 C ATOM 915 C LEU A 60 -16.763 -10.808 -11.065 1.00 0.00 C ATOM 916 O LEU A 60 -15.669 -10.497 -11.537 1.00 0.00 O ATOM 917 CB LEU A 60 -17.449 -12.871 -12.313 1.00 0.00 C ATOM 918 CG LEU A 60 -16.245 -12.919 -13.259 1.00 0.00 C ATOM 919 CD1 LEU A 60 -15.186 -13.873 -12.728 1.00 0.00 C ATOM 920 CD2 LEU A 60 -16.683 -13.330 -14.656 1.00 0.00 C ATOM 0 H LEU A 60 -19.227 -12.512 -10.595 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.351 -12.817 -10.463 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -17.829 -13.884 -12.183 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -18.241 -12.293 -12.789 1.00 0.00 H new ATOM 0 HG LEU A 60 -15.810 -11.921 -13.314 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.339 -13.894 -13.413 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.851 -13.536 -11.747 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.608 -14.874 -12.643 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.816 -13.359 -15.315 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.143 -14.318 -14.617 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.405 -12.608 -15.038 1.00 0.00 H new ATOM 932 N ILE A 61 -17.651 -9.912 -10.644 1.00 0.00 N ATOM 933 CA ILE A 61 -17.393 -8.478 -10.722 1.00 0.00 C ATOM 934 C ILE A 61 -16.279 -8.057 -9.765 1.00 0.00 C ATOM 935 O ILE A 61 -15.708 -6.974 -9.898 1.00 0.00 O ATOM 936 CB ILE A 61 -18.668 -7.665 -10.410 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.450 -6.178 -10.706 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.084 -7.862 -8.959 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.200 -5.877 -12.169 1.00 0.00 C ATOM 0 H ILE A 61 -18.558 -10.155 -10.244 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.076 -8.269 -11.744 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.469 -8.028 -11.053 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.325 -5.619 -10.374 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.602 -5.821 -10.121 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -19.984 -7.282 -8.757 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.285 -8.918 -8.778 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.281 -7.527 -8.302 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.055 -4.805 -12.300 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.308 -6.407 -12.502 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.057 -6.202 -12.759 1.00 0.00 H new ATOM 951 N TYR A 62 -15.963 -8.923 -8.808 1.00 0.00 N ATOM 952 CA TYR A 62 -14.918 -8.627 -7.834 1.00 0.00 C ATOM 953 C TYR A 62 -13.534 -8.655 -8.477 1.00 0.00 C ATOM 954 O TYR A 62 -12.581 -8.097 -7.933 1.00 0.00 O ATOM 955 CB TYR A 62 -14.976 -9.616 -6.669 1.00 0.00 C ATOM 956 CG TYR A 62 -16.125 -9.362 -5.720 1.00 0.00 C ATOM 957 CD1 TYR A 62 -15.970 -8.519 -4.626 1.00 0.00 C ATOM 958 CD2 TYR A 62 -17.363 -9.960 -5.917 1.00 0.00 C ATOM 959 CE1 TYR A 62 -17.016 -8.280 -3.756 1.00 0.00 C ATOM 960 CE2 TYR A 62 -18.414 -9.726 -5.050 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.235 -8.885 -3.972 1.00 0.00 C ATOM 962 OH TYR A 62 -19.280 -8.650 -3.108 1.00 0.00 O ATOM 0 H TYR A 62 -16.412 -9.831 -8.686 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.095 -7.621 -7.455 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.059 -10.628 -7.065 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -14.039 -9.567 -6.114 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -15.016 -8.043 -4.453 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.507 -10.618 -6.761 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -16.879 -7.622 -2.911 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -19.370 -10.199 -5.216 1.00 0.00 H new ATOM 0 HH TYR A 62 -20.068 -9.152 -3.404 1.00 0.00 H new ATOM 972 N THR A 63 -13.426 -9.297 -9.637 1.00 0.00 N ATOM 973 CA THR A 63 -12.148 -9.384 -10.335 1.00 0.00 C ATOM 974 C THR A 63 -11.772 -8.047 -10.984 1.00 0.00 C ATOM 975 O THR A 63 -10.676 -7.537 -10.752 1.00 0.00 O ATOM 976 CB THR A 63 -12.152 -10.498 -11.403 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.436 -11.761 -10.792 1.00 0.00 O ATOM 978 CG2 THR A 63 -10.811 -10.570 -12.120 1.00 0.00 C ATOM 0 H THR A 63 -14.202 -9.761 -10.110 1.00 0.00 H new ATOM 0 HA THR A 63 -11.400 -9.632 -9.582 1.00 0.00 H new ATOM 0 HB THR A 63 -12.925 -10.263 -12.134 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.438 -12.462 -11.476 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.840 -11.363 -12.867 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.608 -9.617 -12.609 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.023 -10.781 -11.397 1.00 0.00 H new ATOM 986 N PRO A 64 -12.666 -7.449 -11.807 1.00 0.00 N ATOM 987 CA PRO A 64 -12.388 -6.161 -12.448 1.00 0.00 C ATOM 988 C PRO A 64 -12.229 -5.039 -11.427 1.00 0.00 C ATOM 989 O PRO A 64 -11.341 -4.195 -11.554 1.00 0.00 O ATOM 990 CB PRO A 64 -13.613 -5.912 -13.333 1.00 0.00 C ATOM 991 CG PRO A 64 -14.684 -6.778 -12.767 1.00 0.00 C ATOM 992 CD PRO A 64 -13.986 -7.980 -12.198 1.00 0.00 C ATOM 0 HA PRO A 64 -11.452 -6.181 -13.007 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -13.905 -4.862 -13.315 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.407 -6.168 -14.372 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.245 -6.251 -11.995 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.398 -7.070 -13.537 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.524 -8.391 -11.344 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -13.897 -8.780 -12.933 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.094 -5.036 -10.414 1.00 0.00 N ATOM 1001 CA ILE A 65 -13.038 -4.017 -9.370 1.00 0.00 C ATOM 1002 C ILE A 65 -11.685 -4.038 -8.670 1.00 0.00 C ATOM 1003 O ILE A 65 -11.091 -2.991 -8.410 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.153 -4.214 -8.322 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.528 -4.112 -8.986 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -14.021 -3.189 -7.204 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.668 -4.516 -8.078 1.00 0.00 C ATOM 0 H ILE A 65 -13.838 -5.724 -10.295 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.184 -3.053 -9.857 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.051 -5.209 -7.888 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.686 -3.087 -9.320 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.541 -4.743 -9.875 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.816 -3.343 -6.474 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -13.053 -3.305 -6.717 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -14.100 -2.185 -7.620 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.612 -4.419 -8.614 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.534 -5.551 -7.764 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.681 -3.869 -7.201 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.203 -5.240 -8.367 1.00 0.00 N ATOM 1020 CA PHE A 66 -9.915 -5.401 -7.708 1.00 0.00 C ATOM 1021 C PHE A 66 -8.794 -4.856 -8.589 1.00 0.00 C ATOM 1022 O PHE A 66 -7.876 -4.194 -8.104 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.664 -6.877 -7.390 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.379 -7.129 -6.654 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.251 -6.784 -5.319 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.300 -7.711 -7.299 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.070 -7.015 -4.639 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.117 -7.945 -6.626 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.002 -7.596 -5.294 1.00 0.00 C ATOM 0 H PHE A 66 -11.686 -6.115 -8.568 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.930 -4.837 -6.775 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.494 -7.257 -6.794 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.655 -7.443 -8.321 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.084 -6.329 -4.803 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.385 -7.985 -8.340 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.983 -6.742 -3.598 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.283 -8.400 -7.140 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.078 -7.777 -4.766 1.00 0.00 H new ATOM 1039 N ASN A 67 -8.882 -5.133 -9.888 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.881 -4.671 -10.842 1.00 0.00 C ATOM 1041 C ASN A 67 -7.837 -3.148 -10.886 1.00 0.00 C ATOM 1042 O ASN A 67 -6.805 -2.555 -11.200 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.179 -5.223 -12.237 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.134 -6.739 -12.284 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.389 -7.374 -11.538 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -8.936 -7.328 -13.164 1.00 0.00 N ATOM 0 H ASN A 67 -9.639 -5.677 -10.303 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.908 -5.038 -10.515 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.164 -4.882 -12.556 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.456 -4.819 -12.946 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.950 -8.345 -13.240 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.538 -6.763 -13.763 1.00 0.00 H new ATOM 1053 N GLU A 68 -8.966 -2.518 -10.573 1.00 0.00 N ATOM 1054 CA GLU A 68 -9.053 -1.064 -10.575 1.00 0.00 C ATOM 1055 C GLU A 68 -8.315 -0.476 -9.377 1.00 0.00 C ATOM 1056 O GLU A 68 -7.603 0.520 -9.505 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.515 -0.617 -10.559 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.686 0.893 -10.582 1.00 0.00 C ATOM 1059 CD GLU A 68 -10.108 1.526 -11.832 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -10.838 1.627 -12.840 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -8.922 1.923 -11.803 1.00 0.00 O ATOM 0 H GLU A 68 -9.831 -2.992 -10.315 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.581 -0.698 -11.487 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.028 -1.046 -11.420 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.999 -1.016 -9.668 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.746 1.136 -10.513 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.203 1.323 -9.705 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.494 -1.096 -8.215 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.840 -0.636 -6.993 1.00 0.00 C ATOM 1070 C TYR A 69 -6.323 -0.714 -7.136 1.00 0.00 C ATOM 1071 O TYR A 69 -5.591 0.133 -6.623 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.298 -1.478 -5.800 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.744 -1.009 -4.473 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.318 0.062 -3.800 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.650 -1.639 -3.894 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -7.816 0.493 -2.586 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -6.142 -1.215 -2.681 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.727 -0.149 -2.031 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.224 0.276 -0.823 1.00 0.00 O ATOM 0 H TYR A 69 -9.086 -1.918 -8.093 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.120 0.403 -6.822 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.387 -1.464 -5.754 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.999 -2.514 -5.962 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.170 0.566 -4.232 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.189 -2.474 -4.400 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.273 1.327 -2.075 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.291 -1.716 -2.244 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.459 -0.283 -0.572 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.859 -1.740 -7.838 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.433 -1.934 -8.055 1.00 0.00 C ATOM 1091 C ILE A 70 -3.892 -0.932 -9.071 1.00 0.00 C ATOM 1092 O ILE A 70 -2.912 -0.235 -8.813 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.136 -3.368 -8.542 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.740 -4.394 -7.576 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.636 -3.584 -8.690 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.122 -4.374 -6.192 1.00 0.00 C ATOM 0 H ILE A 70 -6.451 -2.451 -8.267 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.935 -1.774 -7.098 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.596 -3.504 -9.521 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.810 -4.209 -7.488 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.623 -5.391 -8.001 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.447 -4.601 -9.034 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.236 -2.875 -9.415 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.150 -3.431 -7.727 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.603 -5.128 -5.568 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.056 -4.590 -6.266 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.262 -3.390 -5.745 1.00 0.00 H new ATOM 1108 N SER A 71 -4.542 -0.852 -10.225 1.00 0.00 N ATOM 1109 CA SER A 71 -4.116 0.061 -11.278 1.00 0.00 C ATOM 1110 C SER A 71 -4.160 1.515 -10.811 1.00 0.00 C ATOM 1111 O SER A 71 -3.375 2.343 -11.271 1.00 0.00 O ATOM 1112 CB SER A 71 -4.993 -0.114 -12.518 1.00 0.00 C ATOM 1113 OG SER A 71 -4.602 0.775 -13.550 1.00 0.00 O ATOM 0 H SER A 71 -5.366 -1.408 -10.456 1.00 0.00 H new ATOM 0 HA SER A 71 -3.083 -0.182 -11.529 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.924 -1.142 -12.874 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.036 0.063 -12.257 1.00 0.00 H new ATOM 0 HG SER A 71 -5.177 0.642 -14.332 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.087 1.825 -9.911 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.226 3.188 -9.406 1.00 0.00 C ATOM 1121 C LEU A 72 -4.368 3.436 -8.162 1.00 0.00 C ATOM 1122 O LEU A 72 -3.444 4.248 -8.189 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.701 3.477 -9.093 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.062 4.943 -8.802 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.646 5.340 -7.391 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -6.428 5.875 -9.825 1.00 0.00 C ATOM 0 H LEU A 72 -5.750 1.157 -9.518 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.872 3.865 -10.184 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.302 3.138 -9.936 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.992 2.876 -8.232 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.145 5.037 -8.878 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.913 6.382 -7.212 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.158 4.705 -6.668 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.568 5.218 -7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.699 6.905 -9.596 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.344 5.769 -9.791 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.786 5.619 -10.822 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.676 2.724 -7.081 1.00 0.00 N ATOM 1139 CA VAL A 73 -3.961 2.894 -5.815 1.00 0.00 C ATOM 1140 C VAL A 73 -2.557 2.293 -5.834 1.00 0.00 C ATOM 1141 O VAL A 73 -1.574 3.002 -5.622 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.752 2.287 -4.640 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.029 2.526 -3.322 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.159 2.864 -4.594 1.00 0.00 C ATOM 0 H VAL A 73 -5.416 2.023 -7.054 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.863 3.971 -5.678 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.825 1.211 -4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.605 2.089 -2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.043 2.063 -3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.920 3.598 -3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.705 2.425 -3.759 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.105 3.945 -4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.677 2.636 -5.526 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.467 0.988 -6.079 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.171 0.307 -6.093 1.00 0.00 C ATOM 1156 C GLU A 74 -0.181 1.023 -7.010 1.00 0.00 C ATOM 1157 O GLU A 74 0.990 1.191 -6.662 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.341 -1.156 -6.523 1.00 0.00 C ATOM 1159 CG GLU A 74 -0.098 -2.009 -6.318 1.00 0.00 C ATOM 1160 CD GLU A 74 0.907 -1.860 -7.445 1.00 0.00 C ATOM 1161 OE1 GLU A 74 0.660 -2.414 -8.537 1.00 0.00 O ATOM 1162 OE2 GLU A 74 1.941 -1.193 -7.235 1.00 0.00 O ATOM 0 H GLU A 74 -3.267 0.384 -6.269 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.767 0.330 -5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.167 -1.595 -5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.619 -1.184 -7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.375 -1.733 -5.376 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.390 -3.056 -6.234 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.653 1.460 -8.175 1.00 0.00 N ATOM 1170 CA LYS A 75 0.204 2.161 -9.124 1.00 0.00 C ATOM 1171 C LYS A 75 0.493 3.584 -8.655 1.00 0.00 C ATOM 1172 O LYS A 75 1.533 4.150 -8.984 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.432 2.191 -10.514 1.00 0.00 C ATOM 1174 CG LYS A 75 -0.486 0.830 -11.189 1.00 0.00 C ATOM 1175 CD LYS A 75 -0.933 0.946 -12.637 1.00 0.00 C ATOM 1176 CE LYS A 75 -0.868 -0.395 -13.350 1.00 0.00 C ATOM 1177 NZ LYS A 75 0.513 -0.950 -13.359 1.00 0.00 N ATOM 0 H LYS A 75 -1.618 1.342 -8.482 1.00 0.00 H new ATOM 0 HA LYS A 75 1.146 1.616 -9.181 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.444 2.587 -10.433 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.129 2.879 -11.146 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.498 0.362 -11.147 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.172 0.180 -10.646 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.952 1.330 -12.674 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.302 1.667 -13.157 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.540 -1.100 -12.860 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.220 -0.279 -14.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.583 -1.696 -14.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.190 -0.192 -13.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.732 -1.350 -12.425 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.432 4.160 -7.893 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.254 5.516 -7.380 1.00 0.00 C ATOM 1193 C TYR A 76 0.990 5.596 -6.504 1.00 0.00 C ATOM 1194 O TYR A 76 1.755 6.557 -6.582 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.484 5.956 -6.584 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.449 7.407 -6.162 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.859 8.412 -7.030 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.007 7.776 -4.897 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.830 9.740 -6.650 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -0.976 9.102 -4.509 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.388 10.079 -5.389 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.360 11.402 -5.009 1.00 0.00 O ATOM 0 H TYR A 76 -1.307 3.713 -7.618 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.129 6.187 -8.229 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.376 5.784 -7.186 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.573 5.331 -5.696 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.206 8.150 -8.019 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.682 7.013 -4.205 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.152 10.508 -7.337 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.631 9.371 -3.522 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.963 11.940 -5.726 1.00 0.00 H new ATOM 1212 N ILE A 77 1.189 4.578 -5.669 1.00 0.00 N ATOM 1213 CA ILE A 77 2.344 4.533 -4.781 1.00 0.00 C ATOM 1214 C ILE A 77 3.621 4.252 -5.564 1.00 0.00 C ATOM 1215 O ILE A 77 4.641 4.912 -5.367 1.00 0.00 O ATOM 1216 CB ILE A 77 2.183 3.451 -3.690 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.886 3.667 -2.905 1.00 0.00 C ATOM 1218 CG2 ILE A 77 3.385 3.463 -2.755 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.593 2.566 -1.906 1.00 0.00 C ATOM 0 H ILE A 77 0.565 3.775 -5.590 1.00 0.00 H new ATOM 0 HA ILE A 77 2.411 5.511 -4.304 1.00 0.00 H new ATOM 0 HB ILE A 77 2.130 2.475 -4.173 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.944 4.619 -2.378 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.055 3.741 -3.606 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.259 2.696 -1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.292 3.262 -3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.466 4.440 -2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.340 2.785 -1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.502 1.614 -2.430 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.406 2.506 -1.182 1.00 0.00 H new ATOM 1231 N GLU A 78 3.553 3.270 -6.459 1.00 0.00 N ATOM 1232 CA GLU A 78 4.705 2.885 -7.270 1.00 0.00 C ATOM 1233 C GLU A 78 5.233 4.055 -8.102 1.00 0.00 C ATOM 1234 O GLU A 78 6.429 4.344 -8.088 1.00 0.00 O ATOM 1235 CB GLU A 78 4.332 1.721 -8.191 1.00 0.00 C ATOM 1236 CG GLU A 78 5.514 1.141 -8.949 1.00 0.00 C ATOM 1237 CD GLU A 78 5.127 -0.051 -9.802 1.00 0.00 C ATOM 1238 OE1 GLU A 78 5.104 -1.181 -9.269 1.00 0.00 O ATOM 1239 OE2 GLU A 78 4.843 0.145 -11.003 1.00 0.00 O ATOM 0 H GLU A 78 2.710 2.725 -6.641 1.00 0.00 H new ATOM 0 HA GLU A 78 5.498 2.576 -6.589 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.870 0.932 -7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.584 2.061 -8.907 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.948 1.913 -9.584 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.285 0.841 -8.239 1.00 0.00 H new ATOM 1246 N GLU A 79 4.337 4.722 -8.822 1.00 0.00 N ATOM 1247 CA GLU A 79 4.716 5.847 -9.674 1.00 0.00 C ATOM 1248 C GLU A 79 5.322 6.994 -8.867 1.00 0.00 C ATOM 1249 O GLU A 79 6.387 7.508 -9.212 1.00 0.00 O ATOM 1250 CB GLU A 79 3.504 6.352 -10.459 1.00 0.00 C ATOM 1251 CG GLU A 79 2.968 5.351 -11.468 1.00 0.00 C ATOM 1252 CD GLU A 79 1.792 5.895 -12.256 1.00 0.00 C ATOM 1253 OE1 GLU A 79 0.653 5.823 -11.750 1.00 0.00 O ATOM 1254 OE2 GLU A 79 2.011 6.396 -13.379 1.00 0.00 O ATOM 0 H GLU A 79 3.341 4.503 -8.833 1.00 0.00 H new ATOM 0 HA GLU A 79 5.476 5.486 -10.368 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.710 6.608 -9.758 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.777 7.269 -10.981 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.765 5.072 -12.157 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.664 4.443 -10.948 1.00 0.00 H new ATOM 1261 N GLN A 80 4.643 7.392 -7.795 1.00 0.00 N ATOM 1262 CA GLN A 80 5.115 8.491 -6.956 1.00 0.00 C ATOM 1263 C GLN A 80 6.508 8.210 -6.404 1.00 0.00 C ATOM 1264 O GLN A 80 7.300 9.132 -6.201 1.00 0.00 O ATOM 1265 CB GLN A 80 4.141 8.740 -5.803 1.00 0.00 C ATOM 1266 CG GLN A 80 2.827 9.368 -6.239 1.00 0.00 C ATOM 1267 CD GLN A 80 3.012 10.747 -6.840 1.00 0.00 C ATOM 1268 OE1 GLN A 80 2.998 11.753 -6.131 1.00 0.00 O ATOM 1269 NE2 GLN A 80 3.184 10.800 -8.156 1.00 0.00 N ATOM 0 H GLN A 80 3.766 6.972 -7.487 1.00 0.00 H new ATOM 0 HA GLN A 80 5.168 9.383 -7.580 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.933 7.794 -5.304 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.618 9.390 -5.069 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.343 8.719 -6.969 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.159 9.436 -5.381 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.189 9.940 -8.705 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.311 11.700 -8.618 1.00 0.00 H new ATOM 1278 N LEU A 81 6.804 6.938 -6.162 1.00 0.00 N ATOM 1279 CA LEU A 81 8.106 6.548 -5.635 1.00 0.00 C ATOM 1280 C LEU A 81 9.170 6.579 -6.729 1.00 0.00 C ATOM 1281 O LEU A 81 10.324 6.919 -6.473 1.00 0.00 O ATOM 1282 CB LEU A 81 8.034 5.153 -5.012 1.00 0.00 C ATOM 1283 CG LEU A 81 7.246 5.066 -3.703 1.00 0.00 C ATOM 1284 CD1 LEU A 81 7.085 3.616 -3.275 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.936 5.870 -2.611 1.00 0.00 C ATOM 0 H LEU A 81 6.162 6.162 -6.322 1.00 0.00 H new ATOM 0 HA LEU A 81 8.386 7.266 -4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.584 4.472 -5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.049 4.800 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 81 6.255 5.489 -3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.522 3.572 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.549 3.066 -4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.068 3.169 -3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.362 5.797 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.939 5.475 -2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.002 6.915 -2.915 1.00 0.00 H new ATOM 1297 N LEU A 82 8.772 6.224 -7.946 1.00 0.00 N ATOM 1298 CA LEU A 82 9.694 6.208 -9.078 1.00 0.00 C ATOM 1299 C LEU A 82 10.124 7.622 -9.460 1.00 0.00 C ATOM 1300 O LEU A 82 11.191 7.815 -10.046 1.00 0.00 O ATOM 1301 CB LEU A 82 9.050 5.516 -10.281 1.00 0.00 C ATOM 1302 CG LEU A 82 8.823 4.010 -10.123 1.00 0.00 C ATOM 1303 CD1 LEU A 82 8.011 3.469 -11.289 1.00 0.00 C ATOM 1304 CD2 LEU A 82 10.152 3.276 -10.014 1.00 0.00 C ATOM 0 H LEU A 82 7.818 5.944 -8.175 1.00 0.00 H new ATOM 0 HA LEU A 82 10.581 5.650 -8.777 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.091 5.992 -10.483 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.679 5.683 -11.155 1.00 0.00 H new ATOM 0 HG LEU A 82 8.262 3.842 -9.204 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.859 2.397 -11.160 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.044 3.971 -11.323 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.547 3.650 -12.221 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.969 2.207 -9.902 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.740 3.451 -10.915 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.700 3.643 -9.146 1.00 0.00 H new ATOM 1316 N GLN A 83 9.292 8.607 -9.130 1.00 0.00 N ATOM 1317 CA GLN A 83 9.597 10.000 -9.443 1.00 0.00 C ATOM 1318 C GLN A 83 10.908 10.434 -8.794 1.00 0.00 C ATOM 1319 O GLN A 83 11.537 11.398 -9.232 1.00 0.00 O ATOM 1320 CB GLN A 83 8.461 10.914 -8.978 1.00 0.00 C ATOM 1321 CG GLN A 83 7.140 10.658 -9.686 1.00 0.00 C ATOM 1322 CD GLN A 83 7.214 10.910 -11.181 1.00 0.00 C ATOM 1323 OE1 GLN A 83 6.508 10.274 -11.964 1.00 0.00 O ATOM 1324 NE2 GLN A 83 8.067 11.844 -11.586 1.00 0.00 N ATOM 0 H GLN A 83 8.404 8.467 -8.648 1.00 0.00 H new ATOM 0 HA GLN A 83 9.702 10.083 -10.525 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.319 10.785 -7.905 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.753 11.952 -9.138 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.833 9.627 -9.511 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.371 11.297 -9.252 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.634 12.348 -10.904 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.156 12.058 -12.579 1.00 0.00 H new ATOM 1333 N ARG A 84 11.314 9.719 -7.749 1.00 0.00 N ATOM 1334 CA ARG A 84 12.551 10.032 -7.042 1.00 0.00 C ATOM 1335 C ARG A 84 13.548 8.886 -7.160 1.00 0.00 C ATOM 1336 O ARG A 84 14.761 9.100 -7.146 1.00 0.00 O ATOM 1337 CB ARG A 84 12.262 10.327 -5.569 1.00 0.00 C ATOM 1338 CG ARG A 84 11.370 11.538 -5.358 1.00 0.00 C ATOM 1339 CD ARG A 84 11.142 11.813 -3.881 1.00 0.00 C ATOM 1340 NE ARG A 84 10.309 12.994 -3.668 1.00 0.00 N ATOM 1341 CZ ARG A 84 10.159 13.591 -2.490 1.00 0.00 C ATOM 1342 NH1 ARG A 84 10.778 13.117 -1.417 1.00 0.00 N ATOM 1343 NH2 ARG A 84 9.387 14.664 -2.383 1.00 0.00 N ATOM 0 H ARG A 84 10.804 8.919 -7.373 1.00 0.00 H new ATOM 0 HA ARG A 84 12.989 10.918 -7.501 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.790 9.454 -5.118 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.205 10.485 -5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.824 12.411 -5.826 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.411 11.375 -5.851 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.668 10.947 -3.420 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.103 11.952 -3.385 1.00 0.00 H new ATOM 0 HE ARG A 84 9.814 13.383 -4.470 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.372 12.291 -1.494 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.660 13.578 -0.515 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.908 15.032 -3.205 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.272 15.122 -1.479 1.00 0.00 H new ATOM 1357 N ILE A 85 13.030 7.669 -7.277 1.00 0.00 N ATOM 1358 CA ILE A 85 13.872 6.486 -7.398 1.00 0.00 C ATOM 1359 C ILE A 85 13.478 5.663 -8.626 1.00 0.00 C ATOM 1360 O ILE A 85 12.630 4.775 -8.537 1.00 0.00 O ATOM 1361 CB ILE A 85 13.778 5.600 -6.139 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.974 6.447 -4.878 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.812 4.484 -6.200 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.636 5.718 -3.595 1.00 0.00 C ATOM 0 H ILE A 85 12.029 7.476 -7.291 1.00 0.00 H new ATOM 0 HA ILE A 85 14.900 6.831 -7.509 1.00 0.00 H new ATOM 0 HB ILE A 85 12.786 5.149 -6.101 1.00 0.00 H new ATOM 0 HG12 ILE A 85 15.011 6.781 -4.833 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.354 7.341 -4.952 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.734 3.867 -5.305 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.632 3.869 -7.082 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.811 4.916 -6.257 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.799 6.381 -2.746 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.591 5.408 -3.617 1.00 0.00 H new ATOM 0 HD13 ILE A 85 14.274 4.839 -3.497 1.00 0.00 H new ATOM 1376 N PRO A 86 14.085 5.955 -9.792 1.00 0.00 N ATOM 1377 CA PRO A 86 13.787 5.240 -11.041 1.00 0.00 C ATOM 1378 C PRO A 86 14.258 3.791 -11.007 1.00 0.00 C ATOM 1379 O PRO A 86 14.008 3.024 -11.938 1.00 0.00 O ATOM 1380 CB PRO A 86 14.561 6.032 -12.099 1.00 0.00 C ATOM 1381 CG PRO A 86 15.669 6.680 -11.346 1.00 0.00 C ATOM 1382 CD PRO A 86 15.109 7.000 -9.989 1.00 0.00 C ATOM 0 HA PRO A 86 12.715 5.184 -11.232 1.00 0.00 H new ATOM 0 HB2 PRO A 86 14.944 5.378 -12.883 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.925 6.772 -12.584 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.529 6.015 -11.267 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.009 7.584 -11.852 1.00 0.00 H new ATOM 0 HD2 PRO A 86 15.877 6.961 -9.217 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.676 8.000 -9.958 1.00 0.00 H new ATOM 1390 N GLU A 87 14.938 3.424 -9.928 1.00 0.00 N ATOM 1391 CA GLU A 87 15.443 2.068 -9.764 1.00 0.00 C ATOM 1392 C GLU A 87 14.705 1.349 -8.641 1.00 0.00 C ATOM 1393 O GLU A 87 15.099 0.261 -8.221 1.00 0.00 O ATOM 1394 CB GLU A 87 16.944 2.093 -9.470 1.00 0.00 C ATOM 1395 CG GLU A 87 17.781 2.608 -10.630 1.00 0.00 C ATOM 1396 CD GLU A 87 19.267 2.572 -10.336 1.00 0.00 C ATOM 1397 OE1 GLU A 87 19.895 1.519 -10.578 1.00 0.00 O ATOM 1398 OE2 GLU A 87 19.805 3.595 -9.862 1.00 0.00 O ATOM 0 H GLU A 87 15.153 4.049 -9.151 1.00 0.00 H new ATOM 0 HA GLU A 87 15.272 1.526 -10.694 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.125 2.719 -8.596 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.273 1.086 -9.214 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.575 2.008 -11.517 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.485 3.631 -10.861 1.00 0.00 H new ATOM 1405 N PHE A 88 13.630 1.966 -8.162 1.00 0.00 N ATOM 1406 CA PHE A 88 12.833 1.392 -7.088 1.00 0.00 C ATOM 1407 C PHE A 88 12.027 0.198 -7.587 1.00 0.00 C ATOM 1408 O PHE A 88 11.483 0.222 -8.692 1.00 0.00 O ATOM 1409 CB PHE A 88 11.892 2.450 -6.506 1.00 0.00 C ATOM 1410 CG PHE A 88 11.153 1.991 -5.282 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.730 2.103 -4.028 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.881 1.450 -5.386 1.00 0.00 C ATOM 1413 CE1 PHE A 88 11.053 1.683 -2.899 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.199 1.028 -4.261 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.786 1.145 -3.015 1.00 0.00 C ATOM 0 H PHE A 88 13.291 2.866 -8.503 1.00 0.00 H new ATOM 0 HA PHE A 88 13.512 1.048 -6.308 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.469 3.341 -6.259 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.169 2.740 -7.269 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.720 2.523 -3.931 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.418 1.357 -6.357 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.514 1.775 -1.927 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.209 0.607 -4.355 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.255 0.816 -2.134 1.00 0.00 H new ATOM 1425 N ASN A 89 11.955 -0.843 -6.765 1.00 0.00 N ATOM 1426 CA ASN A 89 11.212 -2.047 -7.114 1.00 0.00 C ATOM 1427 C ASN A 89 10.190 -2.370 -6.029 1.00 0.00 C ATOM 1428 O ASN A 89 10.508 -3.024 -5.035 1.00 0.00 O ATOM 1429 CB ASN A 89 12.172 -3.223 -7.307 1.00 0.00 C ATOM 1430 CG ASN A 89 11.527 -4.383 -8.039 1.00 0.00 C ATOM 1431 OD1 ASN A 89 10.965 -5.286 -7.422 1.00 0.00 O ATOM 1432 ND2 ASN A 89 11.606 -4.362 -9.365 1.00 0.00 N ATOM 0 H ASN A 89 12.404 -0.877 -5.850 1.00 0.00 H new ATOM 0 HA ASN A 89 10.682 -1.872 -8.050 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.046 -2.887 -7.864 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.526 -3.563 -6.334 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.190 -5.116 -9.913 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.082 -3.592 -9.835 1.00 0.00 H new ATOM 1439 N MET A 90 8.961 -1.900 -6.226 1.00 0.00 N ATOM 1440 CA MET A 90 7.888 -2.117 -5.260 1.00 0.00 C ATOM 1441 C MET A 90 7.631 -3.604 -5.023 1.00 0.00 C ATOM 1442 O MET A 90 7.138 -3.991 -3.966 1.00 0.00 O ATOM 1443 CB MET A 90 6.604 -1.432 -5.735 1.00 0.00 C ATOM 1444 CG MET A 90 5.536 -1.322 -4.658 1.00 0.00 C ATOM 1445 SD MET A 90 4.117 -0.342 -5.184 1.00 0.00 S ATOM 1446 CE MET A 90 3.205 -0.210 -3.647 1.00 0.00 C ATOM 0 H MET A 90 8.683 -1.365 -7.049 1.00 0.00 H new ATOM 0 HA MET A 90 8.203 -1.679 -4.313 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.848 -0.433 -6.096 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.198 -1.986 -6.581 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.200 -2.321 -4.382 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.971 -0.874 -3.765 1.00 0.00 H new ATOM 0 HE1 MET A 90 2.195 0.146 -3.852 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.155 -1.188 -3.169 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.710 0.493 -2.984 1.00 0.00 H new ATOM 1456 N ALA A 91 7.963 -4.432 -6.007 1.00 0.00 N ATOM 1457 CA ALA A 91 7.763 -5.872 -5.884 1.00 0.00 C ATOM 1458 C ALA A 91 8.625 -6.456 -4.768 1.00 0.00 C ATOM 1459 O ALA A 91 8.113 -7.078 -3.835 1.00 0.00 O ATOM 1460 CB ALA A 91 8.065 -6.564 -7.206 1.00 0.00 C ATOM 0 H ALA A 91 8.369 -4.134 -6.894 1.00 0.00 H new ATOM 0 HA ALA A 91 6.718 -6.046 -5.627 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.911 -7.638 -7.098 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.400 -6.178 -7.979 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.100 -6.372 -7.489 1.00 0.00 H new ATOM 1466 N ALA A 92 9.934 -6.246 -4.866 1.00 0.00 N ATOM 1467 CA ALA A 92 10.870 -6.754 -3.869 1.00 0.00 C ATOM 1468 C ALA A 92 10.749 -5.992 -2.553 1.00 0.00 C ATOM 1469 O ALA A 92 11.017 -6.539 -1.483 1.00 0.00 O ATOM 1470 CB ALA A 92 12.294 -6.674 -4.396 1.00 0.00 C ATOM 0 H ALA A 92 10.371 -5.727 -5.627 1.00 0.00 H new ATOM 0 HA ALA A 92 10.620 -7.797 -3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.983 -7.056 -3.643 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.380 -7.272 -5.303 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.541 -5.636 -4.621 1.00 0.00 H new ATOM 1476 N PHE A 93 10.345 -4.729 -2.640 1.00 0.00 N ATOM 1477 CA PHE A 93 10.196 -3.892 -1.457 1.00 0.00 C ATOM 1478 C PHE A 93 9.055 -4.387 -0.572 1.00 0.00 C ATOM 1479 O PHE A 93 9.220 -4.543 0.638 1.00 0.00 O ATOM 1480 CB PHE A 93 9.948 -2.437 -1.866 1.00 0.00 C ATOM 1481 CG PHE A 93 9.611 -1.537 -0.711 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.599 -1.108 0.161 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.307 -1.122 -0.497 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.290 -0.282 1.227 1.00 0.00 C ATOM 1485 CE2 PHE A 93 7.992 -0.296 0.565 1.00 0.00 C ATOM 1486 CZ PHE A 93 8.986 0.124 1.428 1.00 0.00 C ATOM 0 H PHE A 93 10.115 -4.263 -3.518 1.00 0.00 H new ATOM 0 HA PHE A 93 11.122 -3.951 -0.884 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.836 -2.053 -2.368 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.134 -2.406 -2.590 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.621 -1.422 0.007 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.527 -1.448 -1.169 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.068 0.045 1.901 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.971 0.021 0.720 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.743 0.769 2.259 1.00 0.00 H new ATOM 1496 N THR A 94 7.899 -4.631 -1.183 1.00 0.00 N ATOM 1497 CA THR A 94 6.728 -5.103 -0.452 1.00 0.00 C ATOM 1498 C THR A 94 6.976 -6.467 0.184 1.00 0.00 C ATOM 1499 O THR A 94 6.700 -6.667 1.368 1.00 0.00 O ATOM 1500 CB THR A 94 5.492 -5.192 -1.366 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.797 -5.965 -2.534 1.00 0.00 O ATOM 1502 CG2 THR A 94 5.017 -3.807 -1.777 1.00 0.00 C ATOM 0 H THR A 94 7.748 -4.509 -2.184 1.00 0.00 H new ATOM 0 HA THR A 94 6.539 -4.373 0.335 1.00 0.00 H new ATOM 0 HB THR A 94 4.693 -5.680 -0.808 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.273 -5.405 -3.182 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.143 -3.899 -2.422 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.753 -3.234 -0.888 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.814 -3.294 -2.316 1.00 0.00 H new ATOM 1510 N THR A 95 7.494 -7.404 -0.607 1.00 0.00 N ATOM 1511 CA THR A 95 7.774 -8.749 -0.113 1.00 0.00 C ATOM 1512 C THR A 95 8.682 -8.707 1.114 1.00 0.00 C ATOM 1513 O THR A 95 8.498 -9.471 2.062 1.00 0.00 O ATOM 1514 CB THR A 95 8.431 -9.623 -1.198 1.00 0.00 C ATOM 1515 OG1 THR A 95 7.603 -9.654 -2.368 1.00 0.00 O ATOM 1516 CG2 THR A 95 8.653 -11.041 -0.693 1.00 0.00 C ATOM 0 H THR A 95 7.727 -7.257 -1.589 1.00 0.00 H new ATOM 0 HA THR A 95 6.816 -9.190 0.163 1.00 0.00 H new ATOM 0 HB THR A 95 9.399 -9.187 -1.446 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.733 -8.830 -2.882 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.118 -11.638 -1.478 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.305 -11.018 0.180 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.695 -11.484 -0.419 1.00 0.00 H new ATOM 1524 N THR A 96 9.660 -7.806 1.088 1.00 0.00 N ATOM 1525 CA THR A 96 10.596 -7.661 2.197 1.00 0.00 C ATOM 1526 C THR A 96 9.951 -6.919 3.365 1.00 0.00 C ATOM 1527 O THR A 96 10.287 -7.154 4.526 1.00 0.00 O ATOM 1528 CB THR A 96 11.869 -6.909 1.757 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.478 -7.583 0.648 1.00 0.00 O ATOM 1530 CG2 THR A 96 12.868 -6.807 2.900 1.00 0.00 C ATOM 0 H THR A 96 9.824 -7.166 0.311 1.00 0.00 H new ATOM 0 HA THR A 96 10.871 -8.665 2.519 1.00 0.00 H new ATOM 0 HB THR A 96 11.579 -5.901 1.460 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.045 -7.300 -0.184 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.755 -6.272 2.561 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.415 -6.268 3.732 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.150 -7.808 3.227 1.00 0.00 H new ATOM 1538 N LEU A 97 9.020 -6.023 3.046 1.00 0.00 N ATOM 1539 CA LEU A 97 8.322 -5.242 4.063 1.00 0.00 C ATOM 1540 C LEU A 97 7.563 -6.153 5.024 1.00 0.00 C ATOM 1541 O LEU A 97 7.491 -5.882 6.222 1.00 0.00 O ATOM 1542 CB LEU A 97 7.349 -4.260 3.401 1.00 0.00 C ATOM 1543 CG LEU A 97 7.235 -2.890 4.076 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.293 -1.988 3.294 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.760 -3.034 5.515 1.00 0.00 C ATOM 0 H LEU A 97 8.731 -5.820 2.089 1.00 0.00 H new ATOM 0 HA LEU A 97 9.066 -4.683 4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.658 -4.111 2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.360 -4.717 3.376 1.00 0.00 H new ATOM 0 HG LEU A 97 8.224 -2.433 4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.224 -1.019 3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.675 -1.853 2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.304 -2.445 3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.687 -2.048 5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.782 -3.515 5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.471 -3.642 6.074 1.00 0.00 H new ATOM 1557 N GLN A 98 6.999 -7.232 4.487 1.00 0.00 N ATOM 1558 CA GLN A 98 6.234 -8.181 5.292 1.00 0.00 C ATOM 1559 C GLN A 98 7.019 -8.627 6.521 1.00 0.00 C ATOM 1560 O GLN A 98 6.471 -8.713 7.619 1.00 0.00 O ATOM 1561 CB GLN A 98 5.847 -9.399 4.450 1.00 0.00 C ATOM 1562 CG GLN A 98 4.955 -9.063 3.266 1.00 0.00 C ATOM 1563 CD GLN A 98 4.648 -10.274 2.406 1.00 0.00 C ATOM 1564 OE1 GLN A 98 5.453 -11.201 2.308 1.00 0.00 O ATOM 1565 NE2 GLN A 98 3.480 -10.271 1.774 1.00 0.00 N ATOM 0 H GLN A 98 7.057 -7.471 3.497 1.00 0.00 H new ATOM 0 HA GLN A 98 5.330 -7.676 5.632 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.754 -9.881 4.085 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.336 -10.122 5.086 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.021 -8.634 3.629 1.00 0.00 H new ATOM 0 HG3 GLN A 98 5.440 -8.301 2.655 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.843 -9.482 1.884 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.220 -11.058 1.179 1.00 0.00 H new ATOM 1574 N HIS A 99 8.301 -8.911 6.332 1.00 0.00 N ATOM 1575 CA HIS A 99 9.155 -9.338 7.433 1.00 0.00 C ATOM 1576 C HIS A 99 9.531 -8.146 8.306 1.00 0.00 C ATOM 1577 O HIS A 99 9.521 -8.228 9.536 1.00 0.00 O ATOM 1578 CB HIS A 99 10.418 -10.013 6.896 1.00 0.00 C ATOM 1579 CG HIS A 99 10.140 -11.221 6.053 1.00 0.00 C ATOM 1580 ND1 HIS A 99 10.354 -12.512 6.493 1.00 0.00 N ATOM 1581 CD2 HIS A 99 9.667 -11.331 4.789 1.00 0.00 C ATOM 1582 CE1 HIS A 99 10.024 -13.361 5.536 1.00 0.00 C ATOM 1583 NE2 HIS A 99 9.604 -12.670 4.493 1.00 0.00 N ATOM 0 H HIS A 99 8.772 -8.854 5.429 1.00 0.00 H new ATOM 0 HA HIS A 99 8.603 -10.057 8.039 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.983 -9.291 6.307 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.050 -10.303 7.735 1.00 0.00 H new ATOM 0 HD2 HIS A 99 9.391 -10.517 4.135 1.00 0.00 H new ATOM 0 HE1 HIS A 99 10.087 -14.437 5.597 1.00 0.00 H new ATOM 0 HE2 HIS A 99 9.284 -13.067 3.609 1.00 0.00 H new ATOM 1592 N HIS A 100 9.840 -7.029 7.656 1.00 0.00 N ATOM 1593 CA HIS A 100 10.223 -5.813 8.363 1.00 0.00 C ATOM 1594 C HIS A 100 9.027 -5.204 9.084 1.00 0.00 C ATOM 1595 O HIS A 100 9.151 -4.184 9.761 1.00 0.00 O ATOM 1596 CB HIS A 100 10.828 -4.801 7.392 1.00 0.00 C ATOM 1597 CG HIS A 100 12.214 -5.157 6.948 1.00 0.00 C ATOM 1598 ND1 HIS A 100 13.271 -4.272 6.995 1.00 0.00 N ATOM 1599 CD2 HIS A 100 12.716 -6.313 6.452 1.00 0.00 C ATOM 1600 CE1 HIS A 100 14.361 -4.868 6.545 1.00 0.00 C ATOM 1601 NE2 HIS A 100 14.052 -6.107 6.210 1.00 0.00 N ATOM 0 H HIS A 100 9.833 -6.941 6.640 1.00 0.00 H new ATOM 0 HA HIS A 100 10.973 -6.076 9.109 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.184 -4.719 6.516 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.847 -3.820 7.867 1.00 0.00 H new ATOM 0 HD1 HIS A 100 13.219 -3.308 7.325 1.00 0.00 H new ATOM 0 HD2 HIS A 100 12.167 -7.227 6.279 1.00 0.00 H new ATOM 0 HE1 HIS A 100 15.339 -4.418 6.465 1.00 0.00 H new ATOM 1610 N LYS A 101 7.868 -5.836 8.930 1.00 0.00 N ATOM 1611 CA LYS A 101 6.649 -5.365 9.576 1.00 0.00 C ATOM 1612 C LYS A 101 6.784 -5.455 11.090 1.00 0.00 C ATOM 1613 O LYS A 101 6.055 -4.797 11.832 1.00 0.00 O ATOM 1614 CB LYS A 101 5.447 -6.186 9.101 1.00 0.00 C ATOM 1615 CG LYS A 101 4.120 -5.725 9.685 1.00 0.00 C ATOM 1616 CD LYS A 101 2.953 -6.528 9.128 1.00 0.00 C ATOM 1617 CE LYS A 101 3.004 -7.979 9.581 1.00 0.00 C ATOM 1618 NZ LYS A 101 2.909 -8.103 11.061 1.00 0.00 N ATOM 0 H LYS A 101 7.748 -6.676 8.363 1.00 0.00 H new ATOM 0 HA LYS A 101 6.490 -4.322 9.302 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.392 -6.136 8.014 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.606 -7.232 9.365 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.145 -5.824 10.770 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.973 -4.668 9.465 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.014 -6.078 9.451 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.968 -6.486 8.039 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.188 -8.533 9.117 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.933 -8.434 9.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.693 -9.088 11.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.814 -7.826 11.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.153 -7.481 11.414 1.00 0.00 H new ATOM 1632 N ASP A 102 7.729 -6.277 11.544 1.00 0.00 N ATOM 1633 CA ASP A 102 7.967 -6.453 12.971 1.00 0.00 C ATOM 1634 C ASP A 102 8.767 -5.283 13.538 1.00 0.00 C ATOM 1635 O ASP A 102 8.827 -5.090 14.754 1.00 0.00 O ATOM 1636 CB ASP A 102 8.709 -7.766 13.224 1.00 0.00 C ATOM 1637 CG ASP A 102 8.950 -8.021 14.698 1.00 0.00 C ATOM 1638 OD1 ASP A 102 8.070 -8.626 15.347 1.00 0.00 O ATOM 1639 OD2 ASP A 102 10.018 -7.619 15.204 1.00 0.00 O ATOM 0 H ASP A 102 8.340 -6.830 10.943 1.00 0.00 H new ATOM 0 HA ASP A 102 7.001 -6.486 13.476 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.134 -8.591 12.805 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.665 -7.746 12.701 1.00 0.00 H new ATOM 1644 N GLU A 103 9.377 -4.502 12.650 1.00 0.00 N ATOM 1645 CA GLU A 103 10.174 -3.351 13.062 1.00 0.00 C ATOM 1646 C GLU A 103 9.409 -2.049 12.841 1.00 0.00 C ATOM 1647 O GLU A 103 9.158 -1.300 13.786 1.00 0.00 O ATOM 1648 CB GLU A 103 11.495 -3.318 12.290 1.00 0.00 C ATOM 1649 CG GLU A 103 12.402 -4.503 12.585 1.00 0.00 C ATOM 1650 CD GLU A 103 12.797 -4.587 14.046 1.00 0.00 C ATOM 1651 OE1 GLU A 103 13.817 -3.972 14.421 1.00 0.00 O ATOM 1652 OE2 GLU A 103 12.084 -5.265 14.816 1.00 0.00 O ATOM 0 H GLU A 103 9.334 -4.646 11.641 1.00 0.00 H new ATOM 0 HA GLU A 103 10.385 -3.449 14.127 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.281 -3.292 11.221 1.00 0.00 H new ATOM 0 HB3 GLU A 103 12.025 -2.397 12.532 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.895 -5.424 12.296 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.301 -4.428 11.973 1.00 0.00 H new ATOM 1659 N VAL A 104 9.040 -1.786 11.591 1.00 0.00 N ATOM 1660 CA VAL A 104 8.307 -0.574 11.248 1.00 0.00 C ATOM 1661 C VAL A 104 6.935 -0.551 11.915 1.00 0.00 C ATOM 1662 O VAL A 104 6.567 -1.481 12.634 1.00 0.00 O ATOM 1663 CB VAL A 104 8.127 -0.434 9.724 1.00 0.00 C ATOM 1664 CG1 VAL A 104 9.466 -0.558 9.015 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.138 -1.467 9.198 1.00 0.00 C ATOM 0 H VAL A 104 9.237 -2.397 10.799 1.00 0.00 H new ATOM 0 HA VAL A 104 8.900 0.264 11.614 1.00 0.00 H new ATOM 0 HB VAL A 104 7.721 0.556 9.517 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.319 -0.457 7.940 1.00 0.00 H new ATOM 0 HG12 VAL A 104 10.137 0.226 9.365 1.00 0.00 H new ATOM 0 HG13 VAL A 104 9.903 -1.533 9.231 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.027 -1.349 8.120 1.00 0.00 H new ATOM 0 HG22 VAL A 104 7.507 -2.469 9.417 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.171 -1.323 9.680 1.00 0.00 H new ATOM 1675 N ALA A 105 6.181 0.516 11.669 1.00 0.00 N ATOM 1676 CA ALA A 105 4.850 0.662 12.244 1.00 0.00 C ATOM 1677 C ALA A 105 3.855 -0.282 11.581 1.00 0.00 C ATOM 1678 O ALA A 105 3.468 -0.084 10.429 1.00 0.00 O ATOM 1679 CB ALA A 105 4.377 2.103 12.118 1.00 0.00 C ATOM 0 H ALA A 105 6.470 1.293 11.074 1.00 0.00 H new ATOM 0 HA ALA A 105 4.909 0.399 13.300 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.381 2.198 12.551 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.067 2.760 12.647 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.343 2.384 11.065 1.00 0.00 H new ATOM 1685 N GLY A 106 3.446 -1.312 12.314 1.00 0.00 N ATOM 1686 CA GLY A 106 2.497 -2.272 11.784 1.00 0.00 C ATOM 1687 C GLY A 106 1.148 -1.645 11.492 1.00 0.00 C ATOM 1688 O GLY A 106 0.439 -2.077 10.582 1.00 0.00 O ATOM 0 H GLY A 106 3.756 -1.499 13.268 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.898 -2.709 10.869 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.370 -3.086 12.497 1.00 0.00 H new ATOM 1692 N ASP A 107 0.795 -0.626 12.268 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.479 0.065 12.097 1.00 0.00 C ATOM 1694 C ASP A 107 -0.549 0.772 10.746 1.00 0.00 C ATOM 1695 O ASP A 107 -1.607 0.820 10.118 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.688 1.080 13.224 1.00 0.00 C ATOM 1697 CG ASP A 107 0.412 2.121 13.275 1.00 0.00 C ATOM 1698 OD1 ASP A 107 1.437 1.869 13.942 1.00 0.00 O ATOM 1699 OD2 ASP A 107 0.249 3.189 12.649 1.00 0.00 O ATOM 0 H ASP A 107 1.374 -0.259 13.023 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.271 -0.683 12.133 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.649 1.577 13.088 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.732 0.555 14.178 1.00 0.00 H new ATOM 1704 N ILE A 108 0.580 1.317 10.302 1.00 0.00 N ATOM 1705 CA ILE A 108 0.632 2.025 9.027 1.00 0.00 C ATOM 1706 C ILE A 108 0.570 1.056 7.851 1.00 0.00 C ATOM 1707 O ILE A 108 -0.236 1.232 6.936 1.00 0.00 O ATOM 1708 CB ILE A 108 1.907 2.885 8.909 1.00 0.00 C ATOM 1709 CG1 ILE A 108 1.951 3.919 10.041 1.00 0.00 C ATOM 1710 CG2 ILE A 108 1.962 3.568 7.547 1.00 0.00 C ATOM 1711 CD1 ILE A 108 3.208 4.764 10.047 1.00 0.00 C ATOM 0 H ILE A 108 1.467 1.282 10.804 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.240 2.679 8.997 1.00 0.00 H new ATOM 0 HB ILE A 108 2.780 2.238 8.999 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.084 4.574 9.956 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.867 3.402 10.997 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.867 4.171 7.479 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.969 2.813 6.761 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.089 4.209 7.426 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.167 5.472 10.875 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.079 4.119 10.163 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.284 5.310 9.107 1.00 0.00 H new ATOM 1723 N PHE A 109 1.411 0.029 7.882 1.00 0.00 N ATOM 1724 CA PHE A 109 1.434 -0.957 6.810 1.00 0.00 C ATOM 1725 C PHE A 109 0.123 -1.733 6.760 1.00 0.00 C ATOM 1726 O PHE A 109 -0.282 -2.200 5.697 1.00 0.00 O ATOM 1727 CB PHE A 109 2.608 -1.928 6.959 1.00 0.00 C ATOM 1728 CG PHE A 109 2.618 -2.992 5.893 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.636 -2.642 4.550 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.589 -4.334 6.231 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.626 -3.611 3.565 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.577 -5.309 5.251 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.596 -4.948 3.916 1.00 0.00 C ATOM 0 H PHE A 109 2.081 -0.142 8.632 1.00 0.00 H new ATOM 0 HA PHE A 109 1.561 -0.412 5.875 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.544 -1.370 6.919 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.561 -2.402 7.940 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.658 -1.599 4.271 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.576 -4.623 7.272 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.642 -3.325 2.524 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.553 -6.353 5.528 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.587 -5.709 3.149 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.535 -1.863 7.911 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.797 -2.597 7.995 1.00 0.00 C ATOM 1745 C ASP A 110 -2.753 -2.170 6.885 1.00 0.00 C ATOM 1746 O ASP A 110 -3.586 -2.957 6.434 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.451 -2.372 9.359 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.742 -3.152 9.519 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -4.809 -2.617 9.151 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -3.685 -4.297 10.013 1.00 0.00 O ATOM 0 H ASP A 110 -0.216 -1.470 8.797 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.579 -3.658 7.873 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.754 -2.663 10.145 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.654 -1.309 9.490 1.00 0.00 H new ATOM 1755 N MET A 111 -2.627 -0.922 6.444 1.00 0.00 N ATOM 1756 CA MET A 111 -3.467 -0.408 5.369 1.00 0.00 C ATOM 1757 C MET A 111 -3.045 -1.032 4.045 1.00 0.00 C ATOM 1758 O MET A 111 -3.865 -1.591 3.313 1.00 0.00 O ATOM 1759 CB MET A 111 -3.351 1.117 5.288 1.00 0.00 C ATOM 1760 CG MET A 111 -4.157 1.731 4.155 1.00 0.00 C ATOM 1761 SD MET A 111 -3.785 3.479 3.908 1.00 0.00 S ATOM 1762 CE MET A 111 -2.067 3.397 3.409 1.00 0.00 C ATOM 0 H MET A 111 -1.954 -0.251 6.813 1.00 0.00 H new ATOM 0 HA MET A 111 -4.505 -0.669 5.575 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.682 1.548 6.233 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.302 1.387 5.164 1.00 0.00 H new ATOM 0 HG2 MET A 111 -3.954 1.186 3.233 1.00 0.00 H new ATOM 0 HG3 MET A 111 -5.220 1.616 4.366 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.913 4.022 2.529 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.435 3.753 4.222 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.806 2.366 3.172 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.752 -0.941 3.757 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.187 -1.492 2.533 1.00 0.00 C ATOM 1774 C LEU A 112 -1.295 -3.014 2.531 1.00 0.00 C ATOM 1775 O LEU A 112 -1.269 -3.646 1.480 1.00 0.00 O ATOM 1776 CB LEU A 112 0.278 -1.069 2.391 1.00 0.00 C ATOM 1777 CG LEU A 112 0.527 0.442 2.395 1.00 0.00 C ATOM 1778 CD1 LEU A 112 2.018 0.736 2.360 1.00 0.00 C ATOM 1779 CD2 LEU A 112 -0.173 1.103 1.215 1.00 0.00 C ATOM 0 H LEU A 112 -1.069 -0.485 4.363 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.752 -1.103 1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.849 -1.517 3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.670 -1.483 1.462 1.00 0.00 H new ATOM 0 HG LEU A 112 0.115 0.855 3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.176 1.814 2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.496 0.296 3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.452 0.308 1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.016 2.176 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.210 0.685 0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.246 0.922 1.280 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.412 -3.589 3.723 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.512 -5.036 3.884 1.00 0.00 C ATOM 1793 C LEU A 113 -2.598 -5.623 2.979 1.00 0.00 C ATOM 1794 O LEU A 113 -2.522 -6.786 2.567 1.00 0.00 O ATOM 1795 CB LEU A 113 -1.803 -5.372 5.349 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.775 -6.859 5.689 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -0.361 -7.408 5.612 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -2.378 -7.113 7.062 1.00 0.00 C ATOM 0 H LEU A 113 -1.440 -3.069 4.600 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.561 -5.481 3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.074 -4.858 5.975 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.784 -4.974 5.609 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.381 -7.383 4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.369 -8.470 5.859 1.00 0.00 H new ATOM 0 HD12 LEU A 113 0.027 -7.273 4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.275 -6.876 6.319 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.347 -8.180 7.281 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.808 -6.571 7.816 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.413 -6.770 7.074 1.00 0.00 H new ATOM 1810 N THR A 114 -3.607 -4.813 2.675 1.00 0.00 N ATOM 1811 CA THR A 114 -4.706 -5.249 1.818 1.00 0.00 C ATOM 1812 C THR A 114 -4.213 -5.607 0.415 1.00 0.00 C ATOM 1813 O THR A 114 -4.990 -6.057 -0.428 1.00 0.00 O ATOM 1814 CB THR A 114 -5.790 -4.162 1.706 1.00 0.00 C ATOM 1815 OG1 THR A 114 -5.244 -2.986 1.097 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.351 -3.815 3.078 1.00 0.00 C ATOM 0 H THR A 114 -3.687 -3.852 3.008 1.00 0.00 H new ATOM 0 HA THR A 114 -5.133 -6.138 2.283 1.00 0.00 H new ATOM 0 HB THR A 114 -6.599 -4.549 1.087 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.766 -2.460 1.772 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.115 -3.045 2.974 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.791 -4.705 3.527 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.548 -3.446 3.717 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.920 -5.405 0.172 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.323 -5.710 -1.125 1.00 0.00 C ATOM 1826 C PHE A 115 -2.325 -7.212 -1.389 1.00 0.00 C ATOM 1827 O PHE A 115 -2.333 -7.647 -2.541 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.882 -5.183 -1.197 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.765 -3.710 -1.493 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -1.612 -3.098 -2.405 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.202 -2.938 -0.861 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -1.500 -1.748 -2.680 1.00 0.00 C ATOM 1833 CE2 PHE A 115 0.317 -1.589 -1.134 1.00 0.00 C ATOM 1834 CZ PHE A 115 -0.534 -0.993 -2.043 1.00 0.00 C ATOM 0 H PHE A 115 -2.265 -5.031 0.858 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.925 -5.216 -1.888 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.386 -5.390 -0.249 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.344 -5.738 -1.966 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.368 -3.683 -2.906 1.00 0.00 H new ATOM 0 HD2 PHE A 115 0.871 -3.398 -0.149 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -2.167 -1.284 -3.392 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.073 -1.000 -0.636 1.00 0.00 H new ATOM 0 HZ PHE A 115 -0.445 0.062 -2.256 1.00 0.00 H new ATOM 1844 N THR A 116 -2.319 -8.001 -0.318 1.00 0.00 N ATOM 1845 CA THR A 116 -2.302 -9.454 -0.447 1.00 0.00 C ATOM 1846 C THR A 116 -3.500 -10.104 0.237 1.00 0.00 C ATOM 1847 O THR A 116 -4.144 -10.985 -0.334 1.00 0.00 O ATOM 1848 CB THR A 116 -1.010 -10.050 0.144 1.00 0.00 C ATOM 1849 OG1 THR A 116 -0.919 -9.737 1.539 1.00 0.00 O ATOM 1850 CG2 THR A 116 0.213 -9.515 -0.583 1.00 0.00 C ATOM 0 H THR A 116 -2.326 -7.661 0.644 1.00 0.00 H new ATOM 0 HA THR A 116 -2.350 -9.666 -1.515 1.00 0.00 H new ATOM 0 HB THR A 116 -1.043 -11.132 0.018 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.096 -10.121 1.907 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.113 -9.949 -0.149 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.154 -9.781 -1.638 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.250 -8.430 -0.484 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.798 -9.670 1.458 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.914 -10.237 2.210 1.00 0.00 C ATOM 1860 C ASP A 117 -6.239 -9.588 1.825 1.00 0.00 C ATOM 1861 O ASP A 117 -6.635 -8.565 2.389 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.662 -10.092 3.710 1.00 0.00 C ATOM 1863 CG ASP A 117 -3.773 -8.917 4.018 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -2.539 -9.068 3.894 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -4.307 -7.847 4.376 1.00 0.00 O ATOM 0 H ASP A 117 -3.287 -8.934 1.945 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.984 -11.296 1.960 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -5.613 -9.973 4.228 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.203 -11.004 4.091 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.920 -10.196 0.859 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.206 -9.694 0.391 1.00 0.00 C ATOM 1872 C PHE A 118 -9.226 -9.708 1.522 1.00 0.00 C ATOM 1873 O PHE A 118 -10.129 -8.873 1.566 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.710 -10.537 -0.781 1.00 0.00 C ATOM 1875 CG PHE A 118 -9.929 -9.972 -1.455 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -9.805 -9.023 -2.457 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.199 -10.392 -1.089 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -10.923 -8.503 -3.081 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.321 -9.876 -1.710 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.182 -8.930 -2.708 1.00 0.00 C ATOM 0 H PHE A 118 -6.601 -11.040 0.384 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.073 -8.666 0.053 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.912 -10.634 -1.517 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.937 -11.541 -0.423 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -8.823 -8.686 -2.754 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -11.313 -11.131 -0.310 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -10.812 -7.763 -3.860 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.305 -10.211 -1.416 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.057 -8.525 -3.195 1.00 0.00 H new ATOM 1890 N LEU A 119 -9.077 -10.663 2.436 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.983 -10.779 3.574 1.00 0.00 C ATOM 1892 C LEU A 119 -9.957 -9.502 4.405 1.00 0.00 C ATOM 1893 O LEU A 119 -10.986 -9.061 4.917 1.00 0.00 O ATOM 1894 CB LEU A 119 -9.607 -11.978 4.448 1.00 0.00 C ATOM 1895 CG LEU A 119 -10.015 -13.344 3.892 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -9.189 -13.695 2.664 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -9.868 -14.417 4.961 1.00 0.00 C ATOM 0 H LEU A 119 -8.339 -11.366 2.411 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.992 -10.932 3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.527 -11.973 4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -10.066 -11.851 5.428 1.00 0.00 H new ATOM 0 HG LEU A 119 -11.062 -13.294 3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -9.496 -14.670 2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.345 -12.941 1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.133 -13.726 2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -10.162 -15.383 4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.830 -14.463 5.290 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.507 -14.174 5.810 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.772 -8.913 4.534 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.611 -7.680 5.291 1.00 0.00 C ATOM 1911 C ALA A 120 -9.158 -6.497 4.499 1.00 0.00 C ATOM 1912 O ALA A 120 -9.672 -5.535 5.070 1.00 0.00 O ATOM 1913 CB ALA A 120 -7.146 -7.460 5.641 1.00 0.00 C ATOM 0 H ALA A 120 -7.910 -9.271 4.123 1.00 0.00 H new ATOM 0 HA ALA A 120 -9.176 -7.764 6.219 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -7.042 -6.534 6.207 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.786 -8.295 6.242 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.559 -7.393 4.725 1.00 0.00 H new ATOM 1919 N PHE A 121 -9.041 -6.583 3.177 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.527 -5.532 2.287 1.00 0.00 C ATOM 1921 C PHE A 121 -11.044 -5.389 2.410 1.00 0.00 C ATOM 1922 O PHE A 121 -11.562 -4.300 2.677 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.141 -5.865 0.843 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.332 -4.734 -0.131 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -8.885 -3.456 0.166 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -9.947 -4.956 -1.353 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.050 -2.422 -0.736 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.116 -3.926 -2.258 1.00 0.00 C ATOM 1929 CZ PHE A 121 -9.666 -2.658 -1.950 1.00 0.00 C ATOM 0 H PHE A 121 -8.612 -7.374 2.696 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.069 -4.584 2.571 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.096 -6.173 0.822 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.732 -6.718 0.510 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.402 -3.266 1.113 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.299 -5.947 -1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.698 -1.431 -0.492 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -10.600 -4.113 -3.205 1.00 0.00 H new ATOM 0 HZ PHE A 121 -9.795 -1.852 -2.657 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.750 -6.499 2.221 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.204 -6.509 2.315 1.00 0.00 C ATOM 1941 C LYS A 122 -13.648 -6.139 3.724 1.00 0.00 C ATOM 1942 O LYS A 122 -14.561 -5.335 3.909 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.751 -7.887 1.936 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.268 -7.958 1.906 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.752 -9.354 1.548 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.268 -9.414 1.451 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.792 -8.524 0.380 1.00 0.00 N ATOM 0 H LYS A 122 -11.337 -7.405 2.001 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.600 -5.770 1.619 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.364 -8.164 0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.376 -8.624 2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.666 -7.672 2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.653 -7.241 1.181 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.314 -9.659 0.598 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.407 -10.063 2.300 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.579 -10.440 1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.704 -9.127 2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.780 -8.775 0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.745 -7.535 0.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.218 -8.640 -0.479 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.989 -6.731 4.716 1.00 0.00 N ATOM 1962 CA GLU A 123 -13.306 -6.463 6.113 1.00 0.00 C ATOM 1963 C GLU A 123 -13.126 -4.982 6.429 1.00 0.00 C ATOM 1964 O GLU A 123 -13.816 -4.433 7.288 1.00 0.00 O ATOM 1965 CB GLU A 123 -12.414 -7.305 7.028 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.718 -7.131 8.507 1.00 0.00 C ATOM 1967 CD GLU A 123 -11.852 -8.010 9.387 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -10.716 -7.600 9.701 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -12.310 -9.112 9.760 1.00 0.00 O ATOM 0 H GLU A 123 -12.232 -7.400 4.577 1.00 0.00 H new ATOM 0 HA GLU A 123 -14.348 -6.732 6.287 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -12.528 -8.356 6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -11.372 -7.042 6.847 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -12.570 -6.087 8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -13.767 -7.363 8.688 1.00 0.00 H new ATOM 1976 N MET A 124 -12.194 -4.343 5.726 1.00 0.00 N ATOM 1977 CA MET A 124 -11.927 -2.924 5.925 1.00 0.00 C ATOM 1978 C MET A 124 -13.131 -2.089 5.503 1.00 0.00 C ATOM 1979 O MET A 124 -13.534 -1.166 6.208 1.00 0.00 O ATOM 1980 CB MET A 124 -10.689 -2.495 5.132 1.00 0.00 C ATOM 1981 CG MET A 124 -10.310 -1.035 5.331 1.00 0.00 C ATOM 1982 SD MET A 124 -8.842 -0.563 4.397 1.00 0.00 S ATOM 1983 CE MET A 124 -9.410 -0.825 2.717 1.00 0.00 C ATOM 0 H MET A 124 -11.613 -4.786 5.015 1.00 0.00 H new ATOM 0 HA MET A 124 -11.740 -2.758 6.986 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.847 -3.123 5.423 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.868 -2.673 4.072 1.00 0.00 H new ATOM 0 HG2 MET A 124 -11.146 -0.403 5.030 1.00 0.00 H new ATOM 0 HG3 MET A 124 -10.136 -0.850 6.391 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.749 -0.305 2.024 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.404 -1.892 2.493 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.423 -0.438 2.611 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.701 -2.421 4.347 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.864 -1.697 3.837 1.00 0.00 C ATOM 1995 C PHE A 125 -16.063 -1.852 4.770 1.00 0.00 C ATOM 1996 O PHE A 125 -16.779 -0.885 5.033 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.234 -2.187 2.436 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.228 -1.815 1.387 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.907 -0.486 1.158 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.606 -2.792 0.629 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -12.982 -0.140 0.192 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.682 -2.452 -0.338 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.368 -1.124 -0.557 1.00 0.00 C ATOM 0 H PHE A 125 -13.379 -3.182 3.748 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.598 -0.641 3.786 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.342 -3.271 2.456 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.204 -1.775 2.160 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.385 0.287 1.741 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.846 -3.832 0.796 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.739 0.899 0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.204 -3.224 -0.924 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.644 -0.857 -1.312 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.282 -3.068 5.261 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.400 -3.339 6.163 1.00 0.00 C ATOM 2015 C LEU A 126 -17.319 -2.470 7.414 1.00 0.00 C ATOM 2016 O LEU A 126 -18.333 -1.967 7.897 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.429 -4.818 6.555 1.00 0.00 C ATOM 2018 CG LEU A 126 -18.231 -5.726 5.619 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.664 -5.683 4.207 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -18.242 -7.152 6.146 1.00 0.00 C ATOM 0 H LEU A 126 -15.702 -3.881 5.051 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.321 -3.095 5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.404 -5.185 6.601 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.843 -4.903 7.560 1.00 0.00 H new ATOM 0 HG LEU A 126 -19.257 -5.361 5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.250 -6.336 3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.708 -4.662 3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.628 -6.021 4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.816 -7.785 5.470 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -17.219 -7.524 6.211 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.698 -7.171 7.136 1.00 0.00 H new ATOM 2032 N ASP A 127 -16.110 -2.302 7.938 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.904 -1.489 9.131 1.00 0.00 C ATOM 2034 C ASP A 127 -16.134 -0.013 8.821 1.00 0.00 C ATOM 2035 O ASP A 127 -16.863 0.677 9.536 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.491 -1.695 9.679 1.00 0.00 C ATOM 2037 CG ASP A 127 -14.228 -0.870 10.922 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -13.762 0.280 10.785 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -14.489 -1.375 12.035 1.00 0.00 O ATOM 0 H ASP A 127 -15.260 -2.717 7.557 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.624 -1.803 9.887 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -14.344 -2.750 9.909 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.764 -1.431 8.911 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.507 0.463 7.748 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.639 1.857 7.335 1.00 0.00 C ATOM 2046 C TYR A 128 -17.109 2.236 7.172 1.00 0.00 C ATOM 2047 O TYR A 128 -17.545 3.289 7.639 1.00 0.00 O ATOM 2048 CB TYR A 128 -14.887 2.094 6.022 1.00 0.00 C ATOM 2049 CG TYR A 128 -14.912 3.533 5.558 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -13.945 4.435 5.983 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -15.902 3.992 4.697 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -13.964 5.752 5.565 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -15.927 5.306 4.274 1.00 0.00 C ATOM 2054 CZ TYR A 128 -14.956 6.183 4.711 1.00 0.00 C ATOM 2055 OH TYR A 128 -14.978 7.493 4.292 1.00 0.00 O ATOM 0 H TYR A 128 -14.902 -0.097 7.148 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.204 2.486 8.112 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -13.851 1.779 6.145 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.321 1.464 5.246 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -13.165 4.101 6.651 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -16.665 3.309 4.353 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -13.205 6.440 5.906 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -16.703 5.646 3.604 1.00 0.00 H new ATOM 0 HH TYR A 128 -15.741 7.632 3.693 1.00 0.00 H new ATOM 2065 N ARG A 129 -17.865 1.368 6.508 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.286 1.604 6.280 1.00 0.00 C ATOM 2067 C ARG A 129 -20.061 1.560 7.591 1.00 0.00 C ATOM 2068 O ARG A 129 -20.938 2.389 7.833 1.00 0.00 O ATOM 2069 CB ARG A 129 -19.847 0.563 5.312 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.307 0.788 4.957 1.00 0.00 C ATOM 2071 CD ARG A 129 -21.824 -0.292 4.021 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.224 -0.083 3.660 1.00 0.00 N ATOM 2073 CZ ARG A 129 -24.043 -1.063 3.288 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.608 -2.315 3.252 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -25.298 -0.793 2.958 1.00 0.00 N ATOM 0 H ARG A 129 -17.516 0.493 6.117 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.398 2.596 5.844 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.254 0.572 4.398 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.737 -0.428 5.753 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -21.906 0.800 5.867 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.422 1.765 4.487 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -21.216 -0.309 3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.715 -1.266 4.497 1.00 0.00 H new ATOM 0 HE ARG A 129 -23.594 0.867 3.695 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -22.644 -2.528 3.510 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -24.237 -3.065 2.967 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -25.638 0.168 2.989 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -25.924 -1.546 2.673 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.731 0.583 8.431 1.00 0.00 N ATOM 2090 CA ALA A 130 -20.394 0.423 9.721 1.00 0.00 C ATOM 2091 C ALA A 130 -20.382 1.729 10.511 1.00 0.00 C ATOM 2092 O ALA A 130 -21.314 2.018 11.261 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.730 -0.688 10.521 1.00 0.00 C ATOM 0 H ALA A 130 -19.008 -0.110 8.241 1.00 0.00 H new ATOM 0 HA ALA A 130 -21.433 0.151 9.537 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -20.235 -0.797 11.481 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.797 -1.625 9.968 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.682 -0.440 10.688 1.00 0.00 H new ATOM 2099 N GLU A 131 -19.319 2.510 10.339 1.00 0.00 N ATOM 2100 CA GLU A 131 -19.192 3.789 11.030 1.00 0.00 C ATOM 2101 C GLU A 131 -20.356 4.716 10.686 1.00 0.00 C ATOM 2102 O GLU A 131 -20.975 5.304 11.572 1.00 0.00 O ATOM 2103 CB GLU A 131 -17.867 4.462 10.666 1.00 0.00 C ATOM 2104 CG GLU A 131 -16.643 3.655 11.065 1.00 0.00 C ATOM 2105 CD GLU A 131 -16.576 3.394 12.558 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -16.150 4.304 13.300 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -16.950 2.281 12.984 1.00 0.00 O ATOM 0 H GLU A 131 -18.535 2.280 9.728 1.00 0.00 H new ATOM 0 HA GLU A 131 -19.211 3.594 12.102 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -17.842 4.636 9.590 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.821 5.438 11.148 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -16.651 2.703 10.534 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -15.744 4.187 10.752 1.00 0.00 H new