USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=27 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 41 GLN : amide:sc= -0.693 K(o=0.024,f=-4.2!) USER MOD Set 1.2: A 69 TYR OH : rot 155:sc= 0.155 USER MOD Set 1.3: A 114 THR OG1 : rot -83:sc= 0.562 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 159:sc= -0.133 (180deg=-0.737) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0.042) USER MOD Single : A 45 MET CE :methyl 153:sc= -0.538 (180deg=-3.15!) USER MOD Single : A 47 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0685) USER MOD Single : A 48 TYR OH : rot 130:sc= -0.16 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -61:sc= 0.0438 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 164:sc= -0.0463 (180deg=-0.294) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -170:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -6.3! C(o=-6.3!,f=-13!) USER MOD Single : A 71 SER OG : rot -84:sc= 0.455 USER MOD Single : A 75 LYS NZ :NH3+ -168:sc= -0.0241 (180deg=-0.231) USER MOD Single : A 76 TYR OH : rot 5:sc= 0.415 USER MOD Single : A 80 GLN : amide:sc= -0.16 K(o=-0.16,f=-0.69) USER MOD Single : A 83 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.057) USER MOD Single : A 89 ASN :FLIP amide:sc= -0.2 F(o=-5.4!,f=-0.2) USER MOD Single : A 90 MET CE :methyl 166:sc= 0 (180deg=-0.157) USER MOD Single : A 94 THR OG1 : rot -80:sc= 0.755 USER MOD Single : A 95 THR OG1 : rot -82:sc= 0.0662 USER MOD Single : A 96 THR OG1 : rot 83:sc= 0.644 USER MOD Single : A 98 GLN : amide:sc= -0.58 K(o=-0.58,f=-4.1!) USER MOD Single : A 99 HIS : no HE2:sc= -2.18 K(o=-2.2,f=-4.9!) USER MOD Single : A 100 HIS : no HD1:sc= -0.356 K(o=-0.36,f=-1.6) USER MOD Single : A 101 LYS NZ :NH3+ 163:sc= -0.0711 (180deg=-0.418) USER MOD Single : A 111 MET CE :methyl 155:sc= -0.315 (180deg=-1.07) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -174:sc= -0.765 (180deg=-0.958) USER MOD Single : A 124 MET CE :methyl -146:sc= -0.232 (180deg=-2.05) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 19.939 2.194 6.190 1.00 0.00 N ATOM 243 CA ALA A 19 19.163 3.429 6.186 1.00 0.00 C ATOM 244 C ALA A 19 18.339 3.563 4.909 1.00 0.00 C ATOM 245 O ALA A 19 17.338 4.281 4.877 1.00 0.00 O ATOM 246 CB ALA A 19 20.083 4.629 6.348 1.00 0.00 C ATOM 0 HA ALA A 19 18.472 3.394 7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.491 5.544 6.343 1.00 0.00 H new ATOM 0 HB2 ALA A 19 20.621 4.550 7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.797 4.654 5.524 1.00 0.00 H new ATOM 252 N GLU A 20 18.767 2.870 3.858 1.00 0.00 N ATOM 253 CA GLU A 20 18.078 2.917 2.571 1.00 0.00 C ATOM 254 C GLU A 20 16.607 2.538 2.717 1.00 0.00 C ATOM 255 O GLU A 20 15.734 3.186 2.140 1.00 0.00 O ATOM 256 CB GLU A 20 18.760 1.981 1.571 1.00 0.00 C ATOM 257 CG GLU A 20 18.109 1.974 0.197 1.00 0.00 C ATOM 258 CD GLU A 20 18.135 3.335 -0.469 1.00 0.00 C ATOM 259 OE1 GLU A 20 17.182 4.115 -0.263 1.00 0.00 O ATOM 260 OE2 GLU A 20 19.108 3.621 -1.198 1.00 0.00 O ATOM 0 H GLU A 20 19.590 2.267 3.872 1.00 0.00 H new ATOM 0 HA GLU A 20 18.131 3.941 2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.805 2.274 1.467 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.752 0.967 1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 20 18.621 1.253 -0.440 1.00 0.00 H new ATOM 0 HG3 GLU A 20 17.076 1.639 0.291 1.00 0.00 H new ATOM 267 N PHE A 21 16.335 1.489 3.488 1.00 0.00 N ATOM 268 CA PHE A 21 14.962 1.042 3.703 1.00 0.00 C ATOM 269 C PHE A 21 14.137 2.138 4.369 1.00 0.00 C ATOM 270 O PHE A 21 13.029 2.445 3.932 1.00 0.00 O ATOM 271 CB PHE A 21 14.932 -0.225 4.564 1.00 0.00 C ATOM 272 CG PHE A 21 13.555 -0.809 4.731 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.664 -0.275 5.650 1.00 0.00 C ATOM 274 CD2 PHE A 21 13.150 -1.893 3.967 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.399 -0.808 5.804 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.885 -2.431 4.117 1.00 0.00 C ATOM 277 CZ PHE A 21 11.009 -1.888 5.036 1.00 0.00 C ATOM 0 H PHE A 21 17.042 0.935 3.972 1.00 0.00 H new ATOM 0 HA PHE A 21 14.528 0.816 2.729 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.583 -0.975 4.115 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.342 0.005 5.548 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.963 0.569 6.253 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.830 -2.322 3.246 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.716 -0.381 6.524 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.582 -3.275 3.516 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.021 -2.307 5.154 1.00 0.00 H new ATOM 287 N ASP A 22 14.687 2.724 5.429 1.00 0.00 N ATOM 288 CA ASP A 22 13.998 3.780 6.162 1.00 0.00 C ATOM 289 C ASP A 22 13.747 4.994 5.275 1.00 0.00 C ATOM 290 O ASP A 22 12.788 5.739 5.483 1.00 0.00 O ATOM 291 CB ASP A 22 14.810 4.192 7.392 1.00 0.00 C ATOM 292 CG ASP A 22 14.107 5.246 8.224 1.00 0.00 C ATOM 293 OD1 ASP A 22 13.341 4.869 9.137 1.00 0.00 O ATOM 294 OD2 ASP A 22 14.322 6.448 7.964 1.00 0.00 O ATOM 0 H ASP A 22 15.607 2.485 5.799 1.00 0.00 H new ATOM 0 HA ASP A 22 13.034 3.387 6.485 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.000 3.314 8.009 1.00 0.00 H new ATOM 0 HB3 ASP A 22 15.780 4.573 7.072 1.00 0.00 H new ATOM 299 N ALA A 23 14.615 5.197 4.290 1.00 0.00 N ATOM 300 CA ALA A 23 14.471 6.320 3.373 1.00 0.00 C ATOM 301 C ALA A 23 13.216 6.157 2.523 1.00 0.00 C ATOM 302 O ALA A 23 12.419 7.086 2.385 1.00 0.00 O ATOM 303 CB ALA A 23 15.702 6.441 2.488 1.00 0.00 C ATOM 0 H ALA A 23 15.422 4.601 4.107 1.00 0.00 H new ATOM 0 HA ALA A 23 14.374 7.235 3.958 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.580 7.284 1.808 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.583 6.601 3.110 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.827 5.525 1.911 1.00 0.00 H new ATOM 309 N VAL A 24 13.046 4.963 1.963 1.00 0.00 N ATOM 310 CA VAL A 24 11.891 4.667 1.129 1.00 0.00 C ATOM 311 C VAL A 24 10.606 4.692 1.949 1.00 0.00 C ATOM 312 O VAL A 24 9.640 5.362 1.584 1.00 0.00 O ATOM 313 CB VAL A 24 12.030 3.290 0.452 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.840 3.013 -0.454 1.00 0.00 C ATOM 315 CG2 VAL A 24 13.333 3.210 -0.328 1.00 0.00 C ATOM 0 H VAL A 24 13.696 4.185 2.073 1.00 0.00 H new ATOM 0 HA VAL A 24 11.844 5.438 0.360 1.00 0.00 H new ATOM 0 HB VAL A 24 12.048 2.525 1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.959 2.036 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.923 3.024 0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.784 3.780 -1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 24 13.415 2.231 -0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.346 3.985 -1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 24 14.173 3.357 0.351 1.00 0.00 H new ATOM 325 N VAL A 25 10.601 3.954 3.056 1.00 0.00 N ATOM 326 CA VAL A 25 9.437 3.893 3.930 1.00 0.00 C ATOM 327 C VAL A 25 9.032 5.294 4.380 1.00 0.00 C ATOM 328 O VAL A 25 7.847 5.581 4.566 1.00 0.00 O ATOM 329 CB VAL A 25 9.696 2.999 5.160 1.00 0.00 C ATOM 330 CG1 VAL A 25 10.523 3.730 6.193 1.00 0.00 C ATOM 331 CG2 VAL A 25 8.383 2.519 5.756 1.00 0.00 C ATOM 0 H VAL A 25 11.392 3.390 3.368 1.00 0.00 H new ATOM 0 HA VAL A 25 8.621 3.451 3.358 1.00 0.00 H new ATOM 0 HB VAL A 25 10.262 2.126 4.835 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.692 3.079 7.051 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.481 4.013 5.758 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.993 4.626 6.516 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.585 1.890 6.623 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.787 3.378 6.063 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.834 1.944 5.011 1.00 0.00 H new ATOM 341 N GLY A 26 10.026 6.164 4.548 1.00 0.00 N ATOM 342 CA GLY A 26 9.759 7.527 4.963 1.00 0.00 C ATOM 343 C GLY A 26 8.960 8.284 3.922 1.00 0.00 C ATOM 344 O GLY A 26 7.997 8.976 4.252 1.00 0.00 O ATOM 0 H GLY A 26 11.012 5.946 4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.213 7.520 5.906 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.702 8.043 5.144 1.00 0.00 H new ATOM 348 N TYR A 27 9.363 8.152 2.659 1.00 0.00 N ATOM 349 CA TYR A 27 8.668 8.819 1.564 1.00 0.00 C ATOM 350 C TYR A 27 7.205 8.395 1.526 1.00 0.00 C ATOM 351 O TYR A 27 6.322 9.202 1.236 1.00 0.00 O ATOM 352 CB TYR A 27 9.338 8.506 0.221 1.00 0.00 C ATOM 353 CG TYR A 27 10.704 9.136 0.053 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.900 10.494 0.280 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.798 8.374 -0.340 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.146 11.073 0.123 1.00 0.00 C ATOM 357 CE2 TYR A 27 13.046 8.945 -0.499 1.00 0.00 C ATOM 358 CZ TYR A 27 13.215 10.293 -0.267 1.00 0.00 C ATOM 359 OH TYR A 27 14.459 10.865 -0.424 1.00 0.00 O ATOM 0 H TYR A 27 10.165 7.591 2.371 1.00 0.00 H new ATOM 0 HA TYR A 27 8.721 9.894 1.736 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.432 7.425 0.117 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.690 8.848 -0.585 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.065 11.107 0.584 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.670 7.318 -0.524 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.281 12.129 0.305 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.885 8.338 -0.804 1.00 0.00 H new ATOM 0 HH TYR A 27 15.102 10.179 -0.701 1.00 0.00 H new ATOM 369 N LEU A 28 6.956 7.121 1.821 1.00 0.00 N ATOM 370 CA LEU A 28 5.598 6.589 1.827 1.00 0.00 C ATOM 371 C LEU A 28 4.730 7.339 2.829 1.00 0.00 C ATOM 372 O LEU A 28 3.622 7.766 2.506 1.00 0.00 O ATOM 373 CB LEU A 28 5.609 5.095 2.162 1.00 0.00 C ATOM 374 CG LEU A 28 6.070 4.175 1.030 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.150 2.735 1.514 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.132 4.283 -0.163 1.00 0.00 C ATOM 0 H LEU A 28 7.677 6.440 2.059 1.00 0.00 H new ATOM 0 HA LEU A 28 5.177 6.724 0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.258 4.937 3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.604 4.799 2.462 1.00 0.00 H new ATOM 0 HG LEU A 28 7.065 4.490 0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.479 2.094 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.861 2.667 2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.167 2.411 1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.476 3.621 -0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.125 3.994 0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.121 5.311 -0.526 1.00 0.00 H new ATOM 388 N GLU A 29 5.245 7.500 4.045 1.00 0.00 N ATOM 389 CA GLU A 29 4.519 8.204 5.096 1.00 0.00 C ATOM 390 C GLU A 29 4.116 9.602 4.638 1.00 0.00 C ATOM 391 O GLU A 29 2.993 10.046 4.880 1.00 0.00 O ATOM 392 CB GLU A 29 5.376 8.297 6.361 1.00 0.00 C ATOM 393 CG GLU A 29 5.742 6.942 6.947 1.00 0.00 C ATOM 394 CD GLU A 29 6.622 7.057 8.176 1.00 0.00 C ATOM 395 OE1 GLU A 29 6.073 7.186 9.290 1.00 0.00 O ATOM 396 OE2 GLU A 29 7.861 7.018 8.025 1.00 0.00 O ATOM 0 H GLU A 29 6.162 7.152 4.326 1.00 0.00 H new ATOM 0 HA GLU A 29 3.613 7.639 5.318 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.291 8.844 6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.839 8.876 7.112 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.830 6.404 7.207 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.257 6.350 6.190 1.00 0.00 H new ATOM 403 N ASP A 30 5.040 10.290 3.974 1.00 0.00 N ATOM 404 CA ASP A 30 4.782 11.637 3.478 1.00 0.00 C ATOM 405 C ASP A 30 3.617 11.639 2.495 1.00 0.00 C ATOM 406 O ASP A 30 2.805 12.565 2.481 1.00 0.00 O ATOM 407 CB ASP A 30 6.034 12.203 2.806 1.00 0.00 C ATOM 408 CG ASP A 30 5.801 13.581 2.218 1.00 0.00 C ATOM 409 OD1 ASP A 30 5.925 14.575 2.965 1.00 0.00 O ATOM 410 OD2 ASP A 30 5.496 13.667 1.010 1.00 0.00 O ATOM 0 H ASP A 30 5.974 9.936 3.767 1.00 0.00 H new ATOM 0 HA ASP A 30 4.518 12.267 4.327 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.843 12.254 3.535 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.358 11.524 2.017 1.00 0.00 H new ATOM 415 N ILE A 31 3.542 10.598 1.672 1.00 0.00 N ATOM 416 CA ILE A 31 2.477 10.475 0.685 1.00 0.00 C ATOM 417 C ILE A 31 1.142 10.163 1.356 1.00 0.00 C ATOM 418 O ILE A 31 0.088 10.592 0.890 1.00 0.00 O ATOM 419 CB ILE A 31 2.797 9.378 -0.350 1.00 0.00 C ATOM 420 CG1 ILE A 31 4.143 9.662 -1.022 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.688 9.287 -1.389 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.665 8.508 -1.851 1.00 0.00 C ATOM 0 H ILE A 31 4.208 9.826 1.670 1.00 0.00 H new ATOM 0 HA ILE A 31 2.403 11.434 0.171 1.00 0.00 H new ATOM 0 HB ILE A 31 2.862 8.420 0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.042 10.540 -1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.877 9.908 -0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.930 8.508 -2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.746 9.045 -0.896 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.593 10.243 -1.904 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.621 8.783 -2.296 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.799 7.634 -1.214 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.951 8.275 -2.641 1.00 0.00 H new ATOM 434 N ILE A 32 1.197 9.413 2.454 1.00 0.00 N ATOM 435 CA ILE A 32 -0.009 9.047 3.190 1.00 0.00 C ATOM 436 C ILE A 32 -0.690 10.282 3.769 1.00 0.00 C ATOM 437 O ILE A 32 -1.917 10.354 3.834 1.00 0.00 O ATOM 438 CB ILE A 32 0.309 8.056 4.330 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.890 6.762 3.758 1.00 0.00 C ATOM 440 CG2 ILE A 32 -0.941 7.766 5.152 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.436 5.823 4.812 1.00 0.00 C ATOM 0 H ILE A 32 2.062 9.048 2.852 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.684 8.565 2.483 1.00 0.00 H new ATOM 0 HB ILE A 32 1.051 8.509 4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.116 6.246 3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.687 7.010 3.057 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.697 7.066 5.951 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.315 8.694 5.585 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.706 7.331 4.509 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.831 4.928 4.332 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.233 6.320 5.364 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.638 5.544 5.500 1.00 0.00 H new ATOM 453 N MET A 33 0.116 11.250 4.187 1.00 0.00 N ATOM 454 CA MET A 33 -0.407 12.483 4.762 1.00 0.00 C ATOM 455 C MET A 33 -0.690 13.521 3.681 1.00 0.00 C ATOM 456 O MET A 33 -1.104 14.641 3.978 1.00 0.00 O ATOM 457 CB MET A 33 0.584 13.053 5.778 1.00 0.00 C ATOM 458 CG MET A 33 0.863 12.122 6.946 1.00 0.00 C ATOM 459 SD MET A 33 2.048 12.813 8.116 1.00 0.00 S ATOM 460 CE MET A 33 1.174 14.281 8.653 1.00 0.00 C ATOM 0 H MET A 33 1.134 11.205 4.139 1.00 0.00 H new ATOM 0 HA MET A 33 -1.345 12.246 5.264 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.522 13.277 5.271 1.00 0.00 H new ATOM 0 HB3 MET A 33 0.196 13.997 6.161 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.071 11.906 7.465 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.243 11.173 6.567 1.00 0.00 H new ATOM 0 HE1 MET A 33 1.572 14.610 9.613 1.00 0.00 H new ATOM 0 HE2 MET A 33 1.305 15.073 7.915 1.00 0.00 H new ATOM 0 HE3 MET A 33 0.113 14.055 8.758 1.00 0.00 H new ATOM 470 N ASP A 34 -0.464 13.144 2.426 1.00 0.00 N ATOM 471 CA ASP A 34 -0.696 14.049 1.305 1.00 0.00 C ATOM 472 C ASP A 34 -2.189 14.271 1.092 1.00 0.00 C ATOM 473 O ASP A 34 -2.983 13.334 1.161 1.00 0.00 O ATOM 474 CB ASP A 34 -0.059 13.494 0.030 1.00 0.00 C ATOM 475 CG ASP A 34 -0.091 14.490 -1.112 1.00 0.00 C ATOM 476 OD1 ASP A 34 -1.084 14.493 -1.868 1.00 0.00 O ATOM 477 OD2 ASP A 34 0.876 15.268 -1.250 1.00 0.00 O ATOM 0 H ASP A 34 -0.121 12.221 2.160 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.234 15.008 1.540 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.974 13.214 0.235 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.582 12.586 -0.269 1.00 0.00 H new ATOM 482 N ASP A 35 -2.563 15.520 0.830 1.00 0.00 N ATOM 483 CA ASP A 35 -3.963 15.873 0.612 1.00 0.00 C ATOM 484 C ASP A 35 -4.542 15.119 -0.582 1.00 0.00 C ATOM 485 O ASP A 35 -5.646 14.577 -0.508 1.00 0.00 O ATOM 486 CB ASP A 35 -4.101 17.380 0.394 1.00 0.00 C ATOM 487 CG ASP A 35 -3.496 18.185 1.528 1.00 0.00 C ATOM 488 OD1 ASP A 35 -4.206 18.430 2.526 1.00 0.00 O ATOM 489 OD2 ASP A 35 -2.313 18.570 1.417 1.00 0.00 O ATOM 0 H ASP A 35 -1.916 16.306 0.763 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.524 15.586 1.502 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.616 17.655 -0.543 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.156 17.635 0.293 1.00 0.00 H new ATOM 494 N GLU A 36 -3.794 15.089 -1.681 1.00 0.00 N ATOM 495 CA GLU A 36 -4.240 14.405 -2.890 1.00 0.00 C ATOM 496 C GLU A 36 -4.420 12.909 -2.642 1.00 0.00 C ATOM 497 O GLU A 36 -5.177 12.243 -3.348 1.00 0.00 O ATOM 498 CB GLU A 36 -3.242 14.629 -4.028 1.00 0.00 C ATOM 499 CG GLU A 36 -3.690 14.039 -5.355 1.00 0.00 C ATOM 500 CD GLU A 36 -2.698 14.295 -6.472 1.00 0.00 C ATOM 501 OE1 GLU A 36 -2.821 15.338 -7.148 1.00 0.00 O ATOM 502 OE2 GLU A 36 -1.797 13.453 -6.671 1.00 0.00 O ATOM 0 H GLU A 36 -2.877 15.530 -1.759 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.205 14.824 -3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.080 15.700 -4.152 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.283 14.191 -3.751 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.833 12.965 -5.241 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.657 14.462 -5.629 1.00 0.00 H new ATOM 509 N PHE A 37 -3.724 12.388 -1.638 1.00 0.00 N ATOM 510 CA PHE A 37 -3.815 10.969 -1.306 1.00 0.00 C ATOM 511 C PHE A 37 -5.119 10.665 -0.576 1.00 0.00 C ATOM 512 O PHE A 37 -5.832 9.727 -0.929 1.00 0.00 O ATOM 513 CB PHE A 37 -2.623 10.542 -0.449 1.00 0.00 C ATOM 514 CG PHE A 37 -2.649 9.089 -0.061 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.347 8.104 -0.989 1.00 0.00 C ATOM 516 CD2 PHE A 37 -2.979 8.710 1.231 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.372 6.767 -0.634 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.007 7.376 1.591 1.00 0.00 C ATOM 519 CZ PHE A 37 -2.703 6.403 0.658 1.00 0.00 C ATOM 0 H PHE A 37 -3.093 12.923 -1.041 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.800 10.403 -2.237 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.702 10.747 -0.995 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.600 11.150 0.455 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.089 8.383 -2.000 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.217 9.466 1.965 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.133 6.009 -1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.266 7.094 2.601 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.724 5.360 0.938 1.00 0.00 H new ATOM 529 N GLN A 38 -5.424 11.463 0.444 1.00 0.00 N ATOM 530 CA GLN A 38 -6.644 11.277 1.222 1.00 0.00 C ATOM 531 C GLN A 38 -7.877 11.376 0.329 1.00 0.00 C ATOM 532 O GLN A 38 -8.807 10.579 0.451 1.00 0.00 O ATOM 533 CB GLN A 38 -6.725 12.315 2.343 1.00 0.00 C ATOM 534 CG GLN A 38 -5.553 12.259 3.309 1.00 0.00 C ATOM 535 CD GLN A 38 -5.675 13.269 4.433 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.777 13.627 4.845 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.537 13.733 4.937 1.00 0.00 N ATOM 0 H GLN A 38 -4.843 12.244 0.750 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.616 10.281 1.663 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.775 13.311 1.902 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.651 12.166 2.899 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.483 11.257 3.732 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.627 12.439 2.762 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.645 13.408 4.565 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.556 14.414 5.696 1.00 0.00 H new ATOM 546 N LEU A 39 -7.876 12.358 -0.567 1.00 0.00 N ATOM 547 CA LEU A 39 -8.993 12.560 -1.483 1.00 0.00 C ATOM 548 C LEU A 39 -9.115 11.379 -2.444 1.00 0.00 C ATOM 549 O LEU A 39 -10.216 10.917 -2.736 1.00 0.00 O ATOM 550 CB LEU A 39 -8.798 13.864 -2.271 1.00 0.00 C ATOM 551 CG LEU A 39 -10.083 14.585 -2.703 1.00 0.00 C ATOM 552 CD1 LEU A 39 -10.905 13.721 -3.647 1.00 0.00 C ATOM 553 CD2 LEU A 39 -10.909 14.983 -1.488 1.00 0.00 C ATOM 0 H LEU A 39 -7.114 13.027 -0.678 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.912 12.631 -0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.207 14.549 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.211 13.643 -3.163 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.796 15.490 -3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.809 14.257 -3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.318 13.493 -4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.178 12.793 -3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.815 15.493 -1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.178 14.091 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.326 15.651 -0.855 1.00 0.00 H new ATOM 565 N LEU A 40 -7.974 10.892 -2.922 1.00 0.00 N ATOM 566 CA LEU A 40 -7.944 9.768 -3.856 1.00 0.00 C ATOM 567 C LEU A 40 -8.558 8.512 -3.238 1.00 0.00 C ATOM 568 O LEU A 40 -9.448 7.892 -3.821 1.00 0.00 O ATOM 569 CB LEU A 40 -6.500 9.484 -4.283 1.00 0.00 C ATOM 570 CG LEU A 40 -6.305 8.247 -5.166 1.00 0.00 C ATOM 571 CD1 LEU A 40 -6.814 8.504 -6.577 1.00 0.00 C ATOM 572 CD2 LEU A 40 -4.841 7.838 -5.196 1.00 0.00 C ATOM 0 H LEU A 40 -7.054 11.259 -2.678 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.538 10.040 -4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.120 10.354 -4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.890 9.369 -3.387 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.885 7.429 -4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.665 7.612 -7.186 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.876 8.746 -6.542 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.266 9.338 -7.015 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.722 6.958 -5.828 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.243 8.656 -5.597 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.507 7.606 -4.185 1.00 0.00 H new ATOM 584 N GLN A 41 -8.077 8.146 -2.055 1.00 0.00 N ATOM 585 CA GLN A 41 -8.562 6.958 -1.359 1.00 0.00 C ATOM 586 C GLN A 41 -10.052 7.062 -1.046 1.00 0.00 C ATOM 587 O GLN A 41 -10.820 6.147 -1.342 1.00 0.00 O ATOM 588 CB GLN A 41 -7.770 6.750 -0.065 1.00 0.00 C ATOM 589 CG GLN A 41 -8.107 5.456 0.660 1.00 0.00 C ATOM 590 CD GLN A 41 -7.545 4.227 -0.031 1.00 0.00 C ATOM 591 OE1 GLN A 41 -7.391 4.199 -1.251 1.00 0.00 O ATOM 592 NE2 GLN A 41 -7.234 3.200 0.753 1.00 0.00 N ATOM 0 H GLN A 41 -7.349 8.657 -1.556 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.416 6.101 -2.017 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.705 6.759 -0.297 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.958 7.590 0.604 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.719 5.504 1.677 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.190 5.360 0.737 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.378 3.266 1.761 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.851 2.346 0.347 1.00 0.00 H new ATOM 601 N ARG A 42 -10.455 8.178 -0.448 1.00 0.00 N ATOM 602 CA ARG A 42 -11.854 8.394 -0.086 1.00 0.00 C ATOM 603 C ARG A 42 -12.752 8.471 -1.318 1.00 0.00 C ATOM 604 O ARG A 42 -13.911 8.058 -1.277 1.00 0.00 O ATOM 605 CB ARG A 42 -11.992 9.679 0.733 1.00 0.00 C ATOM 606 CG ARG A 42 -11.243 9.641 2.053 1.00 0.00 C ATOM 607 CD ARG A 42 -11.344 10.967 2.790 1.00 0.00 C ATOM 608 NE ARG A 42 -10.647 10.932 4.072 1.00 0.00 N ATOM 609 CZ ARG A 42 -10.409 12.009 4.813 1.00 0.00 C ATOM 610 NH1 ARG A 42 -10.810 13.205 4.403 1.00 0.00 N ATOM 611 NH2 ARG A 42 -9.768 11.892 5.968 1.00 0.00 N ATOM 0 H ARG A 42 -9.833 8.949 -0.203 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.175 7.540 0.511 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.626 10.518 0.141 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.048 9.863 0.929 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.646 8.844 2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.195 9.404 1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.925 11.760 2.170 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.393 11.212 2.954 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.324 10.029 4.419 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.303 13.301 3.515 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.625 14.029 4.975 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.457 10.975 6.288 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.586 12.719 6.536 1.00 0.00 H new ATOM 625 N ASN A 43 -12.211 8.996 -2.412 1.00 0.00 N ATOM 626 CA ASN A 43 -12.972 9.136 -3.650 1.00 0.00 C ATOM 627 C ASN A 43 -13.441 7.782 -4.175 1.00 0.00 C ATOM 628 O ASN A 43 -14.614 7.611 -4.508 1.00 0.00 O ATOM 629 CB ASN A 43 -12.127 9.841 -4.715 1.00 0.00 C ATOM 630 CG ASN A 43 -12.853 9.972 -6.040 1.00 0.00 C ATOM 631 OD1 ASN A 43 -12.759 9.098 -6.901 1.00 0.00 O ATOM 632 ND2 ASN A 43 -13.582 11.069 -6.210 1.00 0.00 N ATOM 0 H ASN A 43 -11.249 9.332 -2.468 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.854 9.738 -3.430 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.850 10.832 -4.357 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.201 9.286 -4.865 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.092 11.212 -7.082 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.632 11.768 -5.469 1.00 0.00 H new ATOM 639 N PHE A 44 -12.523 6.824 -4.248 1.00 0.00 N ATOM 640 CA PHE A 44 -12.852 5.491 -4.744 1.00 0.00 C ATOM 641 C PHE A 44 -13.552 4.646 -3.682 1.00 0.00 C ATOM 642 O PHE A 44 -14.509 3.935 -3.984 1.00 0.00 O ATOM 643 CB PHE A 44 -11.593 4.788 -5.249 1.00 0.00 C ATOM 644 CG PHE A 44 -11.149 5.288 -6.594 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.387 6.439 -6.701 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.503 4.612 -7.751 1.00 0.00 C ATOM 647 CE1 PHE A 44 -9.987 6.910 -7.938 1.00 0.00 C ATOM 648 CE2 PHE A 44 -11.105 5.075 -8.989 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.347 6.227 -9.083 1.00 0.00 C ATOM 0 H PHE A 44 -11.549 6.944 -3.971 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.548 5.609 -5.574 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.788 4.932 -4.529 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.780 3.716 -5.308 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.102 6.975 -5.808 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -12.097 3.713 -7.683 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.394 7.810 -8.009 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.385 4.538 -9.883 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.037 6.593 -10.051 1.00 0.00 H new ATOM 659 N MET A 45 -13.078 4.722 -2.441 1.00 0.00 N ATOM 660 CA MET A 45 -13.677 3.957 -1.349 1.00 0.00 C ATOM 661 C MET A 45 -15.152 4.309 -1.184 1.00 0.00 C ATOM 662 O MET A 45 -15.936 3.511 -0.671 1.00 0.00 O ATOM 663 CB MET A 45 -12.933 4.210 -0.037 1.00 0.00 C ATOM 664 CG MET A 45 -11.586 3.513 0.044 1.00 0.00 C ATOM 665 SD MET A 45 -10.834 3.636 1.679 1.00 0.00 S ATOM 666 CE MET A 45 -12.064 2.809 2.686 1.00 0.00 C ATOM 0 H MET A 45 -12.285 5.302 -2.167 1.00 0.00 H new ATOM 0 HA MET A 45 -13.596 2.900 -1.601 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.785 5.283 0.086 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.555 3.877 0.794 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.710 2.462 -0.216 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.912 3.947 -0.695 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.585 2.380 3.566 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.821 3.528 2.999 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.535 2.015 2.106 1.00 0.00 H new ATOM 676 N ASP A 46 -15.521 5.509 -1.621 1.00 0.00 N ATOM 677 CA ASP A 46 -16.900 5.970 -1.525 1.00 0.00 C ATOM 678 C ASP A 46 -17.837 5.062 -2.318 1.00 0.00 C ATOM 679 O ASP A 46 -19.001 4.891 -1.960 1.00 0.00 O ATOM 680 CB ASP A 46 -17.014 7.409 -2.031 1.00 0.00 C ATOM 681 CG ASP A 46 -18.414 7.969 -1.874 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.248 7.743 -2.776 1.00 0.00 O ATOM 683 OD2 ASP A 46 -18.675 8.635 -0.851 1.00 0.00 O ATOM 0 H ASP A 46 -14.882 6.181 -2.046 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.195 5.936 -0.476 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.311 8.039 -1.487 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.727 7.445 -3.082 1.00 0.00 H new ATOM 688 N LYS A 47 -17.319 4.484 -3.399 1.00 0.00 N ATOM 689 CA LYS A 47 -18.109 3.595 -4.246 1.00 0.00 C ATOM 690 C LYS A 47 -17.813 2.134 -3.927 1.00 0.00 C ATOM 691 O LYS A 47 -18.719 1.302 -3.871 1.00 0.00 O ATOM 692 CB LYS A 47 -17.809 3.866 -5.719 1.00 0.00 C ATOM 693 CG LYS A 47 -18.858 3.305 -6.667 1.00 0.00 C ATOM 694 CD LYS A 47 -20.189 4.028 -6.519 1.00 0.00 C ATOM 695 CE LYS A 47 -21.285 3.350 -7.325 1.00 0.00 C ATOM 696 NZ LYS A 47 -20.956 3.293 -8.776 1.00 0.00 N ATOM 0 H LYS A 47 -16.356 4.615 -3.709 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.163 3.790 -4.048 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.730 4.942 -5.873 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.839 3.436 -5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -18.506 3.395 -7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.997 2.242 -6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.474 4.056 -5.467 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -20.081 5.062 -6.848 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -21.439 2.339 -6.948 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -22.223 3.888 -7.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -21.770 2.916 -9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -20.734 4.249 -9.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -20.133 2.673 -8.921 1.00 0.00 H new ATOM 710 N TYR A 48 -16.537 1.832 -3.732 1.00 0.00 N ATOM 711 CA TYR A 48 -16.106 0.472 -3.419 1.00 0.00 C ATOM 712 C TYR A 48 -16.850 -0.087 -2.208 1.00 0.00 C ATOM 713 O TYR A 48 -17.374 -1.200 -2.252 1.00 0.00 O ATOM 714 CB TYR A 48 -14.599 0.439 -3.154 1.00 0.00 C ATOM 715 CG TYR A 48 -13.747 0.423 -4.407 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.967 1.328 -5.438 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.715 -0.498 -4.551 1.00 0.00 C ATOM 718 CE1 TYR A 48 -13.183 1.315 -6.577 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.928 -0.515 -5.687 1.00 0.00 C ATOM 720 CZ TYR A 48 -12.165 0.392 -6.696 1.00 0.00 C ATOM 721 OH TYR A 48 -11.383 0.377 -7.827 1.00 0.00 O ATOM 0 H TYR A 48 -15.778 2.511 -3.785 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.338 -0.152 -4.282 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.328 1.308 -2.555 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.366 -0.444 -2.558 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.763 2.053 -5.348 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.526 -1.211 -3.763 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.367 2.025 -7.370 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.130 -1.237 -5.783 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.437 0.375 -7.571 1.00 0.00 H new ATOM 731 N TYR A 49 -16.898 0.691 -1.130 1.00 0.00 N ATOM 732 CA TYR A 49 -17.565 0.256 0.095 1.00 0.00 C ATOM 733 C TYR A 49 -19.057 0.012 -0.135 1.00 0.00 C ATOM 734 O TYR A 49 -19.711 -0.665 0.659 1.00 0.00 O ATOM 735 CB TYR A 49 -17.347 1.286 1.215 1.00 0.00 C ATOM 736 CG TYR A 49 -18.529 2.198 1.474 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.772 3.306 0.670 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.397 1.952 2.531 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.846 4.141 0.913 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.474 2.783 2.779 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.693 3.875 1.967 1.00 0.00 C ATOM 742 OH TYR A 49 -21.764 4.705 2.211 1.00 0.00 O ATOM 0 H TYR A 49 -16.485 1.622 -1.079 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.122 -0.692 0.400 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.106 0.756 2.136 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.481 1.898 0.964 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -18.111 3.517 -0.157 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.228 1.098 3.169 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -20.021 4.998 0.280 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.140 2.578 3.604 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.262 4.377 2.989 1.00 0.00 H new ATOM 752 N LEU A 50 -19.590 0.562 -1.224 1.00 0.00 N ATOM 753 CA LEU A 50 -21.005 0.393 -1.546 1.00 0.00 C ATOM 754 C LEU A 50 -21.267 -0.971 -2.177 1.00 0.00 C ATOM 755 O LEU A 50 -22.164 -1.698 -1.752 1.00 0.00 O ATOM 756 CB LEU A 50 -21.479 1.503 -2.489 1.00 0.00 C ATOM 757 CG LEU A 50 -21.621 2.885 -1.849 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.966 3.926 -2.902 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.680 2.859 -0.756 1.00 0.00 C ATOM 0 H LEU A 50 -19.067 1.125 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.567 0.455 -0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.778 1.576 -3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.442 1.214 -2.909 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.667 3.156 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -22.063 4.903 -2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -21.175 3.962 -3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.908 3.660 -3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.768 3.850 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.639 2.567 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.393 2.141 0.012 1.00 0.00 H new ATOM 771 N GLU A 51 -20.479 -1.310 -3.191 1.00 0.00 N ATOM 772 CA GLU A 51 -20.629 -2.586 -3.881 1.00 0.00 C ATOM 773 C GLU A 51 -20.283 -3.750 -2.956 1.00 0.00 C ATOM 774 O GLU A 51 -20.778 -4.864 -3.132 1.00 0.00 O ATOM 775 CB GLU A 51 -19.738 -2.624 -5.124 1.00 0.00 C ATOM 776 CG GLU A 51 -20.022 -1.503 -6.112 1.00 0.00 C ATOM 777 CD GLU A 51 -21.449 -1.523 -6.624 1.00 0.00 C ATOM 778 OE1 GLU A 51 -22.318 -0.893 -5.985 1.00 0.00 O ATOM 779 OE2 GLU A 51 -21.698 -2.169 -7.663 1.00 0.00 O ATOM 0 H GLU A 51 -19.730 -0.720 -3.553 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.671 -2.686 -4.186 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.694 -2.568 -4.814 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.871 -3.582 -5.627 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.825 -0.544 -5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -19.336 -1.585 -6.955 1.00 0.00 H new ATOM 786 N PHE A 52 -19.434 -3.483 -1.970 1.00 0.00 N ATOM 787 CA PHE A 52 -19.024 -4.511 -1.020 1.00 0.00 C ATOM 788 C PHE A 52 -20.085 -4.716 0.055 1.00 0.00 C ATOM 789 O PHE A 52 -20.029 -4.109 1.125 1.00 0.00 O ATOM 790 CB PHE A 52 -17.684 -4.143 -0.378 1.00 0.00 C ATOM 791 CG PHE A 52 -16.491 -4.627 -1.154 1.00 0.00 C ATOM 792 CD1 PHE A 52 -16.139 -4.032 -2.355 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.719 -5.676 -0.679 1.00 0.00 C ATOM 794 CE1 PHE A 52 -15.041 -4.473 -3.068 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.619 -6.122 -1.389 1.00 0.00 C ATOM 796 CZ PHE A 52 -14.280 -5.520 -2.584 1.00 0.00 C ATOM 0 H PHE A 52 -19.017 -2.566 -1.808 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.907 -5.447 -1.566 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.625 -3.059 -0.276 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.646 -4.560 0.628 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.730 -3.214 -2.738 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.979 -6.150 0.256 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.778 -4.000 -4.003 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -14.026 -6.941 -1.009 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.421 -5.867 -3.140 1.00 0.00 H new ATOM 806 N GLU A 53 -21.057 -5.570 -0.246 1.00 0.00 N ATOM 807 CA GLU A 53 -22.137 -5.865 0.689 1.00 0.00 C ATOM 808 C GLU A 53 -21.883 -7.185 1.411 1.00 0.00 C ATOM 809 O GLU A 53 -21.407 -8.149 0.811 1.00 0.00 O ATOM 810 CB GLU A 53 -23.474 -5.923 -0.052 1.00 0.00 C ATOM 811 CG GLU A 53 -23.490 -6.921 -1.199 1.00 0.00 C ATOM 812 CD GLU A 53 -24.813 -6.939 -1.937 1.00 0.00 C ATOM 813 OE1 GLU A 53 -24.996 -6.107 -2.851 1.00 0.00 O ATOM 814 OE2 GLU A 53 -25.668 -7.786 -1.603 1.00 0.00 O ATOM 0 H GLU A 53 -21.119 -6.071 -1.132 1.00 0.00 H new ATOM 0 HA GLU A 53 -22.174 -5.068 1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -24.261 -6.182 0.656 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.708 -4.932 -0.440 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -22.691 -6.677 -1.899 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.281 -7.918 -0.811 1.00 0.00 H new ATOM 821 N ASP A 54 -22.204 -7.222 2.702 1.00 0.00 N ATOM 822 CA ASP A 54 -22.007 -8.426 3.505 1.00 0.00 C ATOM 823 C ASP A 54 -22.882 -9.568 2.996 1.00 0.00 C ATOM 824 O ASP A 54 -24.039 -9.700 3.395 1.00 0.00 O ATOM 825 CB ASP A 54 -22.320 -8.142 4.975 1.00 0.00 C ATOM 826 CG ASP A 54 -22.173 -9.374 5.847 1.00 0.00 C ATOM 827 OD1 ASP A 54 -21.032 -9.683 6.252 1.00 0.00 O ATOM 828 OD2 ASP A 54 -23.199 -10.030 6.127 1.00 0.00 O ATOM 0 H ASP A 54 -22.601 -6.434 3.214 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.963 -8.725 3.416 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.654 -7.360 5.341 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -23.337 -7.760 5.060 1.00 0.00 H new ATOM 833 N THR A 55 -22.321 -10.387 2.110 1.00 0.00 N ATOM 834 CA THR A 55 -23.047 -11.520 1.543 1.00 0.00 C ATOM 835 C THR A 55 -22.118 -12.706 1.303 1.00 0.00 C ATOM 836 O THR A 55 -20.910 -12.615 1.524 1.00 0.00 O ATOM 837 CB THR A 55 -23.727 -11.145 0.211 1.00 0.00 C ATOM 838 OG1 THR A 55 -22.748 -10.684 -0.727 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.781 -10.067 0.421 1.00 0.00 C ATOM 0 H THR A 55 -21.365 -10.287 1.769 1.00 0.00 H new ATOM 0 HA THR A 55 -23.811 -11.797 2.270 1.00 0.00 H new ATOM 0 HB THR A 55 -24.217 -12.036 -0.182 1.00 0.00 H new ATOM 0 HG1 THR A 55 -22.301 -9.888 -0.369 1.00 0.00 H new ATOM 0 HG21 THR A 55 -25.245 -9.821 -0.534 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.542 -10.432 1.111 1.00 0.00 H new ATOM 0 HG23 THR A 55 -24.312 -9.175 0.837 1.00 0.00 H new ATOM 847 N GLU A 56 -22.691 -13.817 0.848 1.00 0.00 N ATOM 848 CA GLU A 56 -21.916 -15.024 0.572 1.00 0.00 C ATOM 849 C GLU A 56 -22.009 -15.405 -0.902 1.00 0.00 C ATOM 850 O GLU A 56 -21.546 -16.471 -1.309 1.00 0.00 O ATOM 851 CB GLU A 56 -22.412 -16.183 1.440 1.00 0.00 C ATOM 852 CG GLU A 56 -22.280 -15.930 2.934 1.00 0.00 C ATOM 853 CD GLU A 56 -20.841 -15.747 3.369 1.00 0.00 C ATOM 854 OE1 GLU A 56 -20.337 -14.605 3.295 1.00 0.00 O ATOM 855 OE2 GLU A 56 -20.215 -16.744 3.786 1.00 0.00 O ATOM 0 H GLU A 56 -23.690 -13.907 0.662 1.00 0.00 H new ATOM 0 HA GLU A 56 -20.873 -14.818 0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -23.458 -16.379 1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -21.853 -17.083 1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -22.852 -15.041 3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -22.717 -16.766 3.480 1.00 0.00 H new ATOM 862 N GLU A 57 -22.610 -14.526 -1.700 1.00 0.00 N ATOM 863 CA GLU A 57 -22.766 -14.772 -3.130 1.00 0.00 C ATOM 864 C GLU A 57 -21.624 -14.140 -3.920 1.00 0.00 C ATOM 865 O GLU A 57 -21.427 -12.925 -3.880 1.00 0.00 O ATOM 866 CB GLU A 57 -24.104 -14.218 -3.619 1.00 0.00 C ATOM 867 CG GLU A 57 -24.395 -14.526 -5.078 1.00 0.00 C ATOM 868 CD GLU A 57 -25.708 -13.934 -5.549 1.00 0.00 C ATOM 869 OE1 GLU A 57 -26.758 -14.576 -5.339 1.00 0.00 O ATOM 870 OE2 GLU A 57 -25.687 -12.828 -6.128 1.00 0.00 O ATOM 0 H GLU A 57 -22.997 -13.638 -1.380 1.00 0.00 H new ATOM 0 HA GLU A 57 -22.743 -15.850 -3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -24.904 -14.629 -3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -24.114 -13.138 -3.476 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -23.584 -14.139 -5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -24.416 -15.607 -5.220 1.00 0.00 H new ATOM 877 N ASN A 58 -20.876 -14.971 -4.639 1.00 0.00 N ATOM 878 CA ASN A 58 -19.756 -14.490 -5.441 1.00 0.00 C ATOM 879 C ASN A 58 -20.252 -13.849 -6.734 1.00 0.00 C ATOM 880 O ASN A 58 -21.097 -14.410 -7.431 1.00 0.00 O ATOM 881 CB ASN A 58 -18.797 -15.639 -5.761 1.00 0.00 C ATOM 882 CG ASN A 58 -18.220 -16.280 -4.514 1.00 0.00 C ATOM 883 OD1 ASN A 58 -18.785 -17.229 -3.971 1.00 0.00 O ATOM 884 ND2 ASN A 58 -17.085 -15.766 -4.055 1.00 0.00 N ATOM 0 H ASN A 58 -21.025 -15.979 -4.683 1.00 0.00 H new ATOM 0 HA ASN A 58 -19.224 -13.735 -4.862 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -19.323 -16.395 -6.344 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.983 -15.266 -6.383 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.648 -16.158 -3.221 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -16.650 -14.979 -4.536 1.00 0.00 H new ATOM 891 N LYS A 59 -19.722 -12.670 -7.047 1.00 0.00 N ATOM 892 CA LYS A 59 -20.114 -11.951 -8.255 1.00 0.00 C ATOM 893 C LYS A 59 -18.903 -11.660 -9.137 1.00 0.00 C ATOM 894 O LYS A 59 -17.770 -11.606 -8.657 1.00 0.00 O ATOM 895 CB LYS A 59 -20.825 -10.649 -7.887 1.00 0.00 C ATOM 896 CG LYS A 59 -22.093 -10.861 -7.075 1.00 0.00 C ATOM 897 CD LYS A 59 -22.736 -9.541 -6.676 1.00 0.00 C ATOM 898 CE LYS A 59 -23.244 -8.772 -7.886 1.00 0.00 C ATOM 899 NZ LYS A 59 -24.265 -9.543 -8.647 1.00 0.00 N ATOM 0 H LYS A 59 -19.020 -12.193 -6.481 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.800 -12.583 -8.819 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -20.141 -10.018 -7.320 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -21.074 -10.109 -8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.803 -11.450 -7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.859 -11.437 -6.179 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -23.564 -9.732 -5.993 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -22.011 -8.932 -6.136 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -23.674 -7.825 -7.560 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -22.407 -8.533 -8.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -24.777 -8.903 -9.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.796 -10.286 -9.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.936 -9.979 -7.983 1.00 0.00 H new ATOM 913 N LEU A 60 -19.152 -11.471 -10.430 1.00 0.00 N ATOM 914 CA LEU A 60 -18.086 -11.192 -11.387 1.00 0.00 C ATOM 915 C LEU A 60 -17.649 -9.732 -11.315 1.00 0.00 C ATOM 916 O LEU A 60 -16.586 -9.369 -11.819 1.00 0.00 O ATOM 917 CB LEU A 60 -18.552 -11.530 -12.807 1.00 0.00 C ATOM 918 CG LEU A 60 -17.505 -11.326 -13.907 1.00 0.00 C ATOM 919 CD1 LEU A 60 -16.310 -12.242 -13.688 1.00 0.00 C ATOM 920 CD2 LEU A 60 -18.119 -11.567 -15.278 1.00 0.00 C ATOM 0 H LEU A 60 -20.085 -11.506 -10.840 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.230 -11.816 -11.131 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -18.877 -12.570 -12.827 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -19.424 -10.919 -13.040 1.00 0.00 H new ATOM 0 HG LEU A 60 -17.157 -10.294 -13.862 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.578 -12.081 -14.480 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.854 -12.021 -12.723 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -16.640 -13.281 -13.704 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.361 -11.418 -16.047 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -18.496 -12.588 -15.333 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -18.940 -10.868 -15.437 1.00 0.00 H new ATOM 932 N ILE A 61 -18.470 -8.900 -10.682 1.00 0.00 N ATOM 933 CA ILE A 61 -18.170 -7.479 -10.550 1.00 0.00 C ATOM 934 C ILE A 61 -16.925 -7.254 -9.693 1.00 0.00 C ATOM 935 O ILE A 61 -16.283 -6.205 -9.771 1.00 0.00 O ATOM 936 CB ILE A 61 -19.359 -6.712 -9.933 1.00 0.00 C ATOM 937 CG1 ILE A 61 -19.163 -5.203 -10.093 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.530 -7.076 -8.463 1.00 0.00 C ATOM 939 CD1 ILE A 61 -19.241 -4.731 -11.530 1.00 0.00 C ATOM 0 H ILE A 61 -19.349 -9.186 -10.252 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.984 -7.098 -11.554 1.00 0.00 H new ATOM 0 HB ILE A 61 -20.266 -7.001 -10.464 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.920 -4.682 -9.507 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -18.193 -4.925 -9.680 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.373 -6.524 -8.047 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.716 -8.146 -8.372 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.623 -6.818 -7.916 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -19.093 -3.652 -11.567 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -18.466 -5.224 -12.117 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -20.220 -4.977 -11.941 1.00 0.00 H new ATOM 951 N TYR A 62 -16.584 -8.251 -8.883 1.00 0.00 N ATOM 952 CA TYR A 62 -15.419 -8.163 -8.009 1.00 0.00 C ATOM 953 C TYR A 62 -14.117 -8.262 -8.799 1.00 0.00 C ATOM 954 O TYR A 62 -13.066 -7.828 -8.328 1.00 0.00 O ATOM 955 CB TYR A 62 -15.469 -9.264 -6.948 1.00 0.00 C ATOM 956 CG TYR A 62 -16.514 -9.027 -5.882 1.00 0.00 C ATOM 957 CD1 TYR A 62 -17.836 -9.404 -6.080 1.00 0.00 C ATOM 958 CD2 TYR A 62 -16.177 -8.425 -4.677 1.00 0.00 C ATOM 959 CE1 TYR A 62 -18.793 -9.186 -5.108 1.00 0.00 C ATOM 960 CE2 TYR A 62 -17.127 -8.205 -3.700 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.433 -8.587 -3.919 1.00 0.00 C ATOM 962 OH TYR A 62 -19.382 -8.367 -2.947 1.00 0.00 O ATOM 0 H TYR A 62 -17.098 -9.129 -8.813 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.444 -7.189 -7.521 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.668 -10.218 -7.435 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -14.491 -9.346 -6.475 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -18.120 -9.875 -7.009 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -15.155 -8.124 -4.501 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -19.817 -9.483 -5.278 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -16.848 -7.736 -2.768 1.00 0.00 H new ATOM 0 HH TYR A 62 -18.963 -7.938 -2.172 1.00 0.00 H new ATOM 972 N THR A 63 -14.187 -8.828 -10.001 1.00 0.00 N ATOM 973 CA THR A 63 -13.000 -8.977 -10.836 1.00 0.00 C ATOM 974 C THR A 63 -12.477 -7.621 -11.322 1.00 0.00 C ATOM 975 O THR A 63 -11.297 -7.317 -11.147 1.00 0.00 O ATOM 976 CB THR A 63 -13.263 -9.893 -12.052 1.00 0.00 C ATOM 977 OG1 THR A 63 -13.614 -11.208 -11.607 1.00 0.00 O ATOM 978 CG2 THR A 63 -12.037 -9.969 -12.950 1.00 0.00 C ATOM 0 H THR A 63 -15.046 -9.188 -10.416 1.00 0.00 H new ATOM 0 HA THR A 63 -12.241 -9.443 -10.208 1.00 0.00 H new ATOM 0 HB THR A 63 -14.088 -9.469 -12.625 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.625 -11.820 -12.372 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.247 -10.620 -13.799 1.00 0.00 H new ATOM 0 HG22 THR A 63 -11.788 -8.971 -13.311 1.00 0.00 H new ATOM 0 HG23 THR A 63 -11.196 -10.371 -12.385 1.00 0.00 H new ATOM 986 N PRO A 64 -13.336 -6.780 -11.942 1.00 0.00 N ATOM 987 CA PRO A 64 -12.917 -5.461 -12.428 1.00 0.00 C ATOM 988 C PRO A 64 -12.643 -4.479 -11.293 1.00 0.00 C ATOM 989 O PRO A 64 -11.672 -3.727 -11.340 1.00 0.00 O ATOM 990 CB PRO A 64 -14.107 -4.991 -13.267 1.00 0.00 C ATOM 991 CG PRO A 64 -15.277 -5.710 -12.694 1.00 0.00 C ATOM 992 CD PRO A 64 -14.757 -7.047 -12.244 1.00 0.00 C ATOM 0 HA PRO A 64 -11.982 -5.516 -12.985 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.235 -3.910 -13.203 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.970 -5.234 -14.321 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.706 -5.156 -11.859 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.066 -5.827 -13.437 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.292 -7.411 -11.367 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.867 -7.803 -13.022 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.501 -4.485 -10.276 1.00 0.00 N ATOM 1001 CA ILE A 65 -13.325 -3.584 -9.141 1.00 0.00 C ATOM 1002 C ILE A 65 -11.974 -3.818 -8.470 1.00 0.00 C ATOM 1003 O ILE A 65 -11.328 -2.877 -8.006 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.453 -3.751 -8.101 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.807 -3.406 -8.727 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -14.190 -2.877 -6.883 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.985 -3.666 -7.811 1.00 0.00 C ATOM 0 H ILE A 65 -14.316 -5.096 -10.214 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.364 -2.567 -9.530 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.475 -4.792 -7.777 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.807 -2.355 -9.015 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.933 -3.987 -9.641 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.996 -3.008 -6.161 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -13.243 -3.165 -6.426 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -14.143 -1.832 -7.189 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.910 -3.398 -8.322 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -17.011 -4.722 -7.543 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.883 -3.065 -6.907 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.549 -5.077 -8.429 1.00 0.00 N ATOM 1020 CA PHE A 66 -10.276 -5.433 -7.815 1.00 0.00 C ATOM 1021 C PHE A 66 -9.101 -4.970 -8.674 1.00 0.00 C ATOM 1022 O PHE A 66 -8.192 -4.299 -8.184 1.00 0.00 O ATOM 1023 CB PHE A 66 -10.202 -6.946 -7.593 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.924 -7.399 -6.944 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.667 -7.111 -5.612 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.981 -8.113 -7.665 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.493 -7.528 -5.013 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.806 -8.532 -7.070 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.561 -8.240 -5.743 1.00 0.00 C ATOM 0 H PHE A 66 -12.068 -5.867 -8.814 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.212 -4.927 -6.852 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -11.044 -7.255 -6.973 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.311 -7.451 -8.553 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.392 -6.555 -5.036 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -8.166 -8.345 -8.703 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.305 -7.297 -3.975 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.079 -9.088 -7.643 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.643 -8.567 -5.277 1.00 0.00 H new ATOM 1039 N ASN A 67 -9.125 -5.324 -9.958 1.00 0.00 N ATOM 1040 CA ASN A 67 -8.054 -4.937 -10.870 1.00 0.00 C ATOM 1041 C ASN A 67 -7.946 -3.419 -10.954 1.00 0.00 C ATOM 1042 O ASN A 67 -6.895 -2.876 -11.295 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.267 -5.552 -12.263 1.00 0.00 C ATOM 1044 CG ASN A 67 -9.406 -4.923 -13.048 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -9.665 -3.724 -12.958 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -10.090 -5.741 -13.840 1.00 0.00 N ATOM 0 H ASN A 67 -9.869 -5.874 -10.386 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.114 -5.325 -10.476 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.346 -5.454 -12.837 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.461 -6.619 -12.152 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -10.861 -5.380 -14.402 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.844 -6.730 -13.887 1.00 0.00 H new ATOM 1053 N GLU A 68 -9.046 -2.740 -10.640 1.00 0.00 N ATOM 1054 CA GLU A 68 -9.085 -1.284 -10.673 1.00 0.00 C ATOM 1055 C GLU A 68 -8.331 -0.700 -9.484 1.00 0.00 C ATOM 1056 O GLU A 68 -7.580 0.262 -9.627 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.532 -0.790 -10.660 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.659 0.723 -10.754 1.00 0.00 C ATOM 1059 CD GLU A 68 -10.068 1.280 -12.034 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -8.862 1.607 -12.039 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -10.810 1.389 -13.032 1.00 0.00 O ATOM 0 H GLU A 68 -9.924 -3.178 -10.359 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.603 -0.952 -11.593 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.070 -1.244 -11.492 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.015 -1.131 -9.744 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.712 1.000 -10.694 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.160 1.179 -9.899 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.545 -1.287 -8.311 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.881 -0.831 -7.095 1.00 0.00 C ATOM 1070 C TYR A 69 -6.367 -0.960 -7.229 1.00 0.00 C ATOM 1071 O TYR A 69 -5.612 -0.140 -6.707 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.369 -1.640 -5.893 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.814 -1.165 -4.570 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.402 -0.106 -3.892 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.707 -1.778 -3.997 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -7.901 0.331 -2.680 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -6.200 -1.348 -2.786 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.799 -0.293 -2.132 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.298 0.140 -0.925 1.00 0.00 O ATOM 0 H TYR A 69 -9.173 -2.079 -8.177 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.128 0.219 -6.942 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.458 -1.597 -5.856 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.096 -2.686 -6.036 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.265 0.384 -4.318 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.235 -2.605 -4.507 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.370 1.156 -2.165 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.339 -1.836 -2.354 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.824 -0.596 -0.484 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.932 -1.997 -7.933 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.511 -2.243 -8.137 1.00 0.00 C ATOM 1091 C ILE A 70 -3.913 -1.253 -9.135 1.00 0.00 C ATOM 1092 O ILE A 70 -2.911 -0.599 -8.851 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.263 -3.679 -8.639 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.945 -4.694 -7.713 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.769 -3.958 -8.741 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.366 -4.740 -6.313 1.00 0.00 C ATOM 0 H ILE A 70 -6.545 -2.683 -8.373 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.024 -2.111 -7.171 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.696 -3.779 -9.634 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.006 -4.455 -7.648 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.869 -5.686 -8.159 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.612 -4.976 -9.097 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.315 -3.256 -9.440 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.309 -3.842 -7.759 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.903 -5.482 -5.721 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.311 -5.011 -6.364 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.467 -3.761 -5.845 1.00 0.00 H new ATOM 1108 N SER A 71 -4.535 -1.141 -10.302 1.00 0.00 N ATOM 1109 CA SER A 71 -4.049 -0.240 -11.342 1.00 0.00 C ATOM 1110 C SER A 71 -4.170 1.226 -10.926 1.00 0.00 C ATOM 1111 O SER A 71 -3.416 2.073 -11.403 1.00 0.00 O ATOM 1112 CB SER A 71 -4.817 -0.471 -12.644 1.00 0.00 C ATOM 1113 OG SER A 71 -6.208 -0.263 -12.462 1.00 0.00 O ATOM 0 H SER A 71 -5.376 -1.661 -10.553 1.00 0.00 H new ATOM 0 HA SER A 71 -2.993 -0.460 -11.496 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.443 0.204 -13.414 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.642 -1.487 -12.998 1.00 0.00 H new ATOM 0 HG SER A 71 -6.618 -1.082 -12.113 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.130 1.527 -10.059 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.339 2.901 -9.606 1.00 0.00 C ATOM 1121 C LEU A 72 -4.529 3.225 -8.349 1.00 0.00 C ATOM 1122 O LEU A 72 -3.644 4.080 -8.373 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.834 3.137 -9.345 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.262 4.589 -9.074 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.942 4.999 -7.644 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -6.606 5.545 -10.062 1.00 0.00 C ATOM 0 H LEU A 72 -5.773 0.845 -9.657 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.990 3.567 -10.396 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.393 2.772 -10.207 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.132 2.528 -8.491 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.342 4.644 -9.209 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.256 6.030 -7.482 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.472 4.345 -6.951 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.869 4.915 -7.473 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.926 6.565 -9.848 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.522 5.477 -9.969 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.900 5.278 -11.077 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.834 2.530 -7.256 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.164 2.769 -5.979 1.00 0.00 C ATOM 1140 C VAL A 73 -2.739 2.221 -5.937 1.00 0.00 C ATOM 1141 O VAL A 73 -1.787 2.980 -5.759 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.968 2.173 -4.808 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.305 2.503 -3.479 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.401 2.679 -4.838 1.00 0.00 C ATOM 0 H VAL A 73 -5.542 1.796 -7.228 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.108 3.853 -5.877 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.985 1.089 -4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.888 2.073 -2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.297 2.088 -3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.254 3.585 -3.357 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.956 2.249 -4.004 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.405 3.766 -4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.871 2.386 -5.777 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.593 0.906 -6.092 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.272 0.279 -6.042 1.00 0.00 C ATOM 1156 C GLU A 74 -0.297 0.960 -6.997 1.00 0.00 C ATOM 1157 O GLU A 74 0.875 1.151 -6.670 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.362 -1.216 -6.359 1.00 0.00 C ATOM 1159 CG GLU A 74 -0.036 -1.948 -6.211 1.00 0.00 C ATOM 1160 CD GLU A 74 -0.152 -3.432 -6.500 1.00 0.00 C ATOM 1161 OE1 GLU A 74 -0.520 -4.189 -5.577 1.00 0.00 O ATOM 1162 OE2 GLU A 74 0.126 -3.837 -7.648 1.00 0.00 O ATOM 0 H GLU A 74 -3.365 0.259 -6.252 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.894 0.398 -5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.098 -1.676 -5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.726 -1.342 -7.379 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.696 -1.506 -6.887 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.341 -1.808 -5.198 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.785 1.330 -8.177 1.00 0.00 N ATOM 1170 CA LYS A 75 0.052 1.993 -9.168 1.00 0.00 C ATOM 1171 C LYS A 75 0.406 3.405 -8.711 1.00 0.00 C ATOM 1172 O LYS A 75 1.514 3.883 -8.951 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.656 2.044 -10.522 1.00 0.00 C ATOM 1174 CG LYS A 75 0.202 2.616 -11.639 1.00 0.00 C ATOM 1175 CD LYS A 75 1.387 1.717 -11.951 1.00 0.00 C ATOM 1176 CE LYS A 75 2.248 2.296 -13.061 1.00 0.00 C ATOM 1177 NZ LYS A 75 1.484 2.464 -14.327 1.00 0.00 N ATOM 0 H LYS A 75 -1.751 1.182 -8.468 1.00 0.00 H new ATOM 0 HA LYS A 75 0.972 1.418 -9.275 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.970 1.037 -10.796 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.561 2.645 -10.427 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.405 2.743 -12.536 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.560 3.605 -11.353 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.990 1.584 -11.053 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.029 0.730 -12.244 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.645 3.261 -12.746 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.102 1.642 -13.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.143 2.665 -15.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.959 1.590 -14.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.815 3.254 -14.227 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.545 4.068 -8.055 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.327 5.421 -7.558 1.00 0.00 C ATOM 1193 C TYR A 76 0.869 5.463 -6.609 1.00 0.00 C ATOM 1194 O TYR A 76 1.647 6.417 -6.617 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.583 5.931 -6.846 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.449 7.336 -6.305 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.683 8.440 -7.115 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.088 7.557 -4.982 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.561 9.725 -6.622 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -0.965 8.839 -4.481 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.202 9.919 -5.305 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.079 11.196 -4.810 1.00 0.00 O ATOM 0 H TYR A 76 -1.471 3.689 -7.857 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.114 6.069 -8.409 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.422 5.898 -7.541 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.823 5.256 -6.024 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.965 8.292 -8.147 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.900 6.713 -4.334 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.746 10.573 -7.265 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.685 8.994 -3.450 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.353 11.840 -5.496 1.00 0.00 H new ATOM 1212 N ILE A 77 1.011 4.419 -5.796 1.00 0.00 N ATOM 1213 CA ILE A 77 2.110 4.335 -4.841 1.00 0.00 C ATOM 1214 C ILE A 77 3.440 4.104 -5.554 1.00 0.00 C ATOM 1215 O ILE A 77 4.439 4.755 -5.252 1.00 0.00 O ATOM 1216 CB ILE A 77 1.890 3.199 -3.819 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.553 3.380 -3.092 1.00 0.00 C ATOM 1218 CG2 ILE A 77 3.040 3.154 -2.821 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.211 2.239 -2.155 1.00 0.00 C ATOM 0 H ILE A 77 0.378 3.620 -5.780 1.00 0.00 H new ATOM 0 HA ILE A 77 2.139 5.288 -4.313 1.00 0.00 H new ATOM 0 HB ILE A 77 1.861 2.251 -4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.581 4.310 -2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.242 3.482 -3.831 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.871 2.348 -2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.976 2.978 -3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.098 4.104 -2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.748 2.436 -1.676 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.150 1.309 -2.721 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.985 2.149 -1.393 1.00 0.00 H new ATOM 1231 N GLU A 78 3.442 3.171 -6.502 1.00 0.00 N ATOM 1232 CA GLU A 78 4.648 2.844 -7.255 1.00 0.00 C ATOM 1233 C GLU A 78 5.183 4.063 -8.005 1.00 0.00 C ATOM 1234 O GLU A 78 6.386 4.325 -8.002 1.00 0.00 O ATOM 1235 CB GLU A 78 4.365 1.708 -8.242 1.00 0.00 C ATOM 1236 CG GLU A 78 5.601 1.213 -8.976 1.00 0.00 C ATOM 1237 CD GLU A 78 5.287 0.111 -9.970 1.00 0.00 C ATOM 1238 OE1 GLU A 78 5.107 -1.048 -9.536 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.221 0.404 -11.182 1.00 0.00 O ATOM 0 H GLU A 78 2.620 2.628 -6.767 1.00 0.00 H new ATOM 0 HA GLU A 78 5.408 2.522 -6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.915 0.874 -7.703 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.631 2.048 -8.973 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.067 2.048 -9.500 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.327 0.847 -8.251 1.00 0.00 H new ATOM 1246 N GLU A 79 4.284 4.807 -8.641 1.00 0.00 N ATOM 1247 CA GLU A 79 4.668 5.990 -9.404 1.00 0.00 C ATOM 1248 C GLU A 79 5.310 7.053 -8.517 1.00 0.00 C ATOM 1249 O GLU A 79 6.380 7.572 -8.835 1.00 0.00 O ATOM 1250 CB GLU A 79 3.449 6.578 -10.118 1.00 0.00 C ATOM 1251 CG GLU A 79 2.886 5.679 -11.206 1.00 0.00 C ATOM 1252 CD GLU A 79 3.872 5.442 -12.332 1.00 0.00 C ATOM 1253 OE1 GLU A 79 4.672 4.487 -12.232 1.00 0.00 O ATOM 1254 OE2 GLU A 79 3.845 6.212 -13.316 1.00 0.00 O ATOM 0 H GLU A 79 3.283 4.612 -8.643 1.00 0.00 H new ATOM 0 HA GLU A 79 5.407 5.678 -10.141 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.669 6.776 -9.383 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.724 7.537 -10.557 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.601 4.722 -10.770 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.979 6.128 -11.610 1.00 0.00 H new ATOM 1261 N GLN A 80 4.653 7.373 -7.405 1.00 0.00 N ATOM 1262 CA GLN A 80 5.155 8.387 -6.482 1.00 0.00 C ATOM 1263 C GLN A 80 6.545 8.036 -5.958 1.00 0.00 C ATOM 1264 O GLN A 80 7.383 8.917 -5.766 1.00 0.00 O ATOM 1265 CB GLN A 80 4.184 8.570 -5.315 1.00 0.00 C ATOM 1266 CG GLN A 80 2.862 9.202 -5.721 1.00 0.00 C ATOM 1267 CD GLN A 80 3.034 10.603 -6.275 1.00 0.00 C ATOM 1268 OE1 GLN A 80 3.939 11.335 -5.874 1.00 0.00 O ATOM 1269 NE2 GLN A 80 2.165 10.984 -7.205 1.00 0.00 N ATOM 0 H GLN A 80 3.772 6.945 -7.121 1.00 0.00 H new ATOM 0 HA GLN A 80 5.234 9.324 -7.034 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.989 7.599 -4.859 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.656 9.191 -4.554 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.378 8.575 -6.470 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.198 9.235 -4.857 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.430 10.345 -7.508 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.233 11.915 -7.616 1.00 0.00 H new ATOM 1278 N LEU A 81 6.787 6.749 -5.726 1.00 0.00 N ATOM 1279 CA LEU A 81 8.082 6.298 -5.227 1.00 0.00 C ATOM 1280 C LEU A 81 9.153 6.402 -6.308 1.00 0.00 C ATOM 1281 O LEU A 81 10.298 6.754 -6.027 1.00 0.00 O ATOM 1282 CB LEU A 81 7.991 4.857 -4.717 1.00 0.00 C ATOM 1283 CG LEU A 81 7.293 4.685 -3.366 1.00 0.00 C ATOM 1284 CD1 LEU A 81 7.124 3.210 -3.039 1.00 0.00 C ATOM 1285 CD2 LEU A 81 8.081 5.387 -2.269 1.00 0.00 C ATOM 0 H LEU A 81 6.107 6.003 -5.875 1.00 0.00 H new ATOM 0 HA LEU A 81 8.364 6.948 -4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.463 4.259 -5.459 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.000 4.452 -4.641 1.00 0.00 H new ATOM 0 HG LEU A 81 6.304 5.140 -3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.626 3.106 -2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.522 2.733 -3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.103 2.733 -2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.572 5.256 -1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.081 4.959 -2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.155 6.450 -2.497 1.00 0.00 H new ATOM 1297 N LEU A 82 8.772 6.099 -7.546 1.00 0.00 N ATOM 1298 CA LEU A 82 9.703 6.158 -8.668 1.00 0.00 C ATOM 1299 C LEU A 82 10.121 7.597 -8.960 1.00 0.00 C ATOM 1300 O LEU A 82 11.182 7.838 -9.535 1.00 0.00 O ATOM 1301 CB LEU A 82 9.078 5.527 -9.914 1.00 0.00 C ATOM 1302 CG LEU A 82 8.872 4.010 -9.842 1.00 0.00 C ATOM 1303 CD1 LEU A 82 8.113 3.516 -11.064 1.00 0.00 C ATOM 1304 CD2 LEU A 82 10.210 3.292 -9.723 1.00 0.00 C ATOM 0 H LEU A 82 7.826 5.811 -7.797 1.00 0.00 H new ATOM 0 HA LEU A 82 10.594 5.593 -8.395 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.113 6.001 -10.097 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.711 5.752 -10.772 1.00 0.00 H new ATOM 0 HG LEU A 82 8.281 3.787 -8.954 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.976 2.437 -10.996 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.139 4.003 -11.109 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.679 3.753 -11.965 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.042 2.216 -9.673 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.826 3.523 -10.592 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.721 3.622 -8.818 1.00 0.00 H new ATOM 1316 N GLN A 83 9.282 8.551 -8.559 1.00 0.00 N ATOM 1317 CA GLN A 83 9.573 9.967 -8.776 1.00 0.00 C ATOM 1318 C GLN A 83 10.906 10.356 -8.143 1.00 0.00 C ATOM 1319 O GLN A 83 11.527 11.342 -8.540 1.00 0.00 O ATOM 1320 CB GLN A 83 8.454 10.837 -8.198 1.00 0.00 C ATOM 1321 CG GLN A 83 7.141 10.732 -8.957 1.00 0.00 C ATOM 1322 CD GLN A 83 7.223 11.333 -10.347 1.00 0.00 C ATOM 1323 OE1 GLN A 83 6.987 12.527 -10.534 1.00 0.00 O ATOM 1324 NE2 GLN A 83 7.554 10.506 -11.331 1.00 0.00 N ATOM 0 H GLN A 83 8.398 8.370 -8.084 1.00 0.00 H new ATOM 0 HA GLN A 83 9.638 10.133 -9.851 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.286 10.553 -7.159 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.780 11.877 -8.196 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.853 9.684 -9.035 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.357 11.237 -8.392 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.741 9.524 -11.130 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.621 10.853 -12.288 1.00 0.00 H new ATOM 1333 N ARG A 84 11.339 9.576 -7.157 1.00 0.00 N ATOM 1334 CA ARG A 84 12.596 9.840 -6.466 1.00 0.00 C ATOM 1335 C ARG A 84 13.655 8.804 -6.836 1.00 0.00 C ATOM 1336 O ARG A 84 14.844 9.115 -6.901 1.00 0.00 O ATOM 1337 CB ARG A 84 12.373 9.847 -4.950 1.00 0.00 C ATOM 1338 CG ARG A 84 13.643 10.063 -4.140 1.00 0.00 C ATOM 1339 CD ARG A 84 14.216 11.455 -4.350 1.00 0.00 C ATOM 1340 NE ARG A 84 15.445 11.658 -3.586 1.00 0.00 N ATOM 1341 CZ ARG A 84 15.980 12.854 -3.349 1.00 0.00 C ATOM 1342 NH1 ARG A 84 15.397 13.949 -3.816 1.00 0.00 N ATOM 1343 NH2 ARG A 84 17.098 12.953 -2.644 1.00 0.00 N ATOM 0 H ARG A 84 10.837 8.755 -6.819 1.00 0.00 H new ATOM 0 HA ARG A 84 12.956 10.820 -6.779 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.658 10.631 -4.702 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.922 8.899 -4.655 1.00 0.00 H new ATOM 0 HG2 ARG A 84 13.429 9.914 -3.082 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.386 9.317 -4.423 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.418 11.609 -5.410 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.477 12.200 -4.055 1.00 0.00 H new ATOM 0 HE ARG A 84 15.920 10.836 -3.213 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.536 13.877 -4.358 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.809 14.864 -3.633 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.549 12.113 -2.283 1.00 0.00 H new ATOM 0 HH22 ARG A 84 17.507 13.870 -2.463 1.00 0.00 H new ATOM 1357 N ILE A 85 13.215 7.571 -7.077 1.00 0.00 N ATOM 1358 CA ILE A 85 14.128 6.490 -7.440 1.00 0.00 C ATOM 1359 C ILE A 85 13.626 5.738 -8.675 1.00 0.00 C ATOM 1360 O ILE A 85 12.725 4.906 -8.574 1.00 0.00 O ATOM 1361 CB ILE A 85 14.301 5.481 -6.285 1.00 0.00 C ATOM 1362 CG1 ILE A 85 14.592 6.209 -4.969 1.00 0.00 C ATOM 1363 CG2 ILE A 85 15.416 4.496 -6.606 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.346 6.572 -4.187 1.00 0.00 C ATOM 0 H ILE A 85 12.234 7.296 -7.028 1.00 0.00 H new ATOM 0 HA ILE A 85 15.090 6.954 -7.657 1.00 0.00 H new ATOM 0 HB ILE A 85 13.369 4.927 -6.170 1.00 0.00 H new ATOM 0 HG12 ILE A 85 15.229 5.579 -4.348 1.00 0.00 H new ATOM 0 HG13 ILE A 85 15.154 7.118 -5.183 1.00 0.00 H new ATOM 0 HG21 ILE A 85 15.527 3.791 -5.782 1.00 0.00 H new ATOM 0 HG22 ILE A 85 15.170 3.953 -7.519 1.00 0.00 H new ATOM 0 HG23 ILE A 85 16.351 5.038 -6.747 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.630 7.084 -3.268 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.717 7.228 -4.789 1.00 0.00 H new ATOM 0 HD13 ILE A 85 12.794 5.665 -3.941 1.00 0.00 H new ATOM 1376 N PRO A 86 14.199 6.021 -9.864 1.00 0.00 N ATOM 1377 CA PRO A 86 13.794 5.360 -11.111 1.00 0.00 C ATOM 1378 C PRO A 86 14.258 3.909 -11.188 1.00 0.00 C ATOM 1379 O PRO A 86 13.893 3.178 -12.110 1.00 0.00 O ATOM 1380 CB PRO A 86 14.475 6.198 -12.193 1.00 0.00 C ATOM 1381 CG PRO A 86 15.670 6.781 -11.522 1.00 0.00 C ATOM 1382 CD PRO A 86 15.273 7.009 -10.090 1.00 0.00 C ATOM 0 HA PRO A 86 12.709 5.310 -11.207 1.00 0.00 H new ATOM 0 HB2 PRO A 86 14.760 5.585 -13.048 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.811 6.977 -12.567 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.522 6.105 -11.587 1.00 0.00 H new ATOM 0 HG3 PRO A 86 15.967 7.716 -11.998 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.112 6.851 -9.412 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.920 8.028 -9.929 1.00 0.00 H new ATOM 1390 N GLU A 87 15.062 3.499 -10.216 1.00 0.00 N ATOM 1391 CA GLU A 87 15.578 2.134 -10.170 1.00 0.00 C ATOM 1392 C GLU A 87 15.016 1.383 -8.968 1.00 0.00 C ATOM 1393 O GLU A 87 15.540 0.344 -8.569 1.00 0.00 O ATOM 1394 CB GLU A 87 17.107 2.146 -10.108 1.00 0.00 C ATOM 1395 CG GLU A 87 17.760 2.838 -11.294 1.00 0.00 C ATOM 1396 CD GLU A 87 17.401 2.191 -12.618 1.00 0.00 C ATOM 1397 OE1 GLU A 87 17.996 1.144 -12.950 1.00 0.00 O ATOM 1398 OE2 GLU A 87 16.525 2.734 -13.325 1.00 0.00 O ATOM 0 H GLU A 87 15.372 4.092 -9.447 1.00 0.00 H new ATOM 0 HA GLU A 87 15.262 1.621 -11.078 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.421 2.643 -9.190 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.468 1.119 -10.054 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.456 3.885 -11.311 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.843 2.822 -11.168 1.00 0.00 H new ATOM 1405 N PHE A 88 13.941 1.918 -8.399 1.00 0.00 N ATOM 1406 CA PHE A 88 13.304 1.312 -7.236 1.00 0.00 C ATOM 1407 C PHE A 88 12.507 0.069 -7.623 1.00 0.00 C ATOM 1408 O PHE A 88 11.930 0.000 -8.708 1.00 0.00 O ATOM 1409 CB PHE A 88 12.387 2.328 -6.553 1.00 0.00 C ATOM 1410 CG PHE A 88 11.665 1.779 -5.356 1.00 0.00 C ATOM 1411 CD1 PHE A 88 12.356 1.473 -4.195 1.00 0.00 C ATOM 1412 CD2 PHE A 88 10.297 1.568 -5.395 1.00 0.00 C ATOM 1413 CE1 PHE A 88 11.694 0.968 -3.094 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.630 1.064 -4.296 1.00 0.00 C ATOM 1415 CZ PHE A 88 10.328 0.763 -3.144 1.00 0.00 C ATOM 0 H PHE A 88 13.491 2.773 -8.726 1.00 0.00 H new ATOM 0 HA PHE A 88 14.089 1.008 -6.543 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.979 3.190 -6.246 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.654 2.686 -7.276 1.00 0.00 H new ATOM 0 HD1 PHE A 88 13.423 1.631 -4.151 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.746 1.800 -6.294 1.00 0.00 H new ATOM 0 HE1 PHE A 88 12.243 0.733 -2.194 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.563 0.905 -4.338 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.808 0.368 -2.284 1.00 0.00 H new ATOM 1425 N ASN A 89 12.482 -0.912 -6.724 1.00 0.00 N ATOM 1426 CA ASN A 89 11.751 -2.151 -6.955 1.00 0.00 C ATOM 1427 C ASN A 89 10.615 -2.291 -5.942 1.00 0.00 C ATOM 1428 O ASN A 89 10.835 -2.693 -4.800 1.00 0.00 O ATOM 1429 CB ASN A 89 12.694 -3.354 -6.857 1.00 0.00 C ATOM 1430 CG ASN A 89 12.153 -4.587 -7.560 1.00 0.00 C ATOM 1431 OD1 ASN A 89 10.833 -4.719 -7.611 1.00 0.00 O flip ATOM 1432 ND2 ASN A 89 12.920 -5.415 -8.054 1.00 0.00 N flip ATOM 0 H ASN A 89 12.963 -0.870 -5.825 1.00 0.00 H new ATOM 0 HA ASN A 89 11.327 -2.121 -7.959 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.659 -3.089 -7.289 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.869 -3.588 -5.807 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.929 -5.276 -7.993 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.546 -6.240 -8.524 1.00 0.00 H new ATOM 1439 N MET A 90 9.405 -1.949 -6.372 1.00 0.00 N ATOM 1440 CA MET A 90 8.231 -2.023 -5.509 1.00 0.00 C ATOM 1441 C MET A 90 7.978 -3.450 -5.030 1.00 0.00 C ATOM 1442 O MET A 90 7.512 -3.663 -3.911 1.00 0.00 O ATOM 1443 CB MET A 90 7.000 -1.499 -6.254 1.00 0.00 C ATOM 1444 CG MET A 90 5.747 -1.427 -5.396 1.00 0.00 C ATOM 1445 SD MET A 90 5.938 -0.335 -3.975 1.00 0.00 S ATOM 1446 CE MET A 90 4.307 -0.446 -3.244 1.00 0.00 C ATOM 0 H MET A 90 9.211 -1.617 -7.317 1.00 0.00 H new ATOM 0 HA MET A 90 8.420 -1.402 -4.633 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.219 -0.505 -6.644 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.805 -2.143 -7.112 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.913 -1.080 -6.006 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.492 -2.428 -5.048 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.332 -0.034 -2.235 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.598 0.119 -3.849 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.997 -1.490 -3.202 1.00 0.00 H new ATOM 1456 N ALA A 91 8.291 -4.423 -5.878 1.00 0.00 N ATOM 1457 CA ALA A 91 8.083 -5.828 -5.540 1.00 0.00 C ATOM 1458 C ALA A 91 9.027 -6.290 -4.430 1.00 0.00 C ATOM 1459 O ALA A 91 8.610 -6.979 -3.500 1.00 0.00 O ATOM 1460 CB ALA A 91 8.252 -6.696 -6.778 1.00 0.00 C ATOM 0 H ALA A 91 8.689 -4.266 -6.804 1.00 0.00 H new ATOM 0 HA ALA A 91 7.064 -5.933 -5.167 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.095 -7.742 -6.513 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.524 -6.399 -7.533 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.259 -6.570 -7.176 1.00 0.00 H new ATOM 1466 N ALA A 92 10.298 -5.908 -4.531 1.00 0.00 N ATOM 1467 CA ALA A 92 11.293 -6.299 -3.535 1.00 0.00 C ATOM 1468 C ALA A 92 11.048 -5.613 -2.194 1.00 0.00 C ATOM 1469 O ALA A 92 11.247 -6.214 -1.137 1.00 0.00 O ATOM 1470 CB ALA A 92 12.694 -5.982 -4.035 1.00 0.00 C ATOM 0 H ALA A 92 10.662 -5.331 -5.289 1.00 0.00 H new ATOM 0 HA ALA A 92 11.201 -7.374 -3.382 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.425 -6.279 -3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.883 -6.528 -4.959 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.780 -4.912 -4.222 1.00 0.00 H new ATOM 1476 N PHE A 93 10.617 -4.357 -2.242 1.00 0.00 N ATOM 1477 CA PHE A 93 10.357 -3.592 -1.027 1.00 0.00 C ATOM 1478 C PHE A 93 9.138 -4.130 -0.282 1.00 0.00 C ATOM 1479 O PHE A 93 9.174 -4.307 0.935 1.00 0.00 O ATOM 1480 CB PHE A 93 10.153 -2.115 -1.363 1.00 0.00 C ATOM 1481 CG PHE A 93 10.098 -1.224 -0.153 1.00 0.00 C ATOM 1482 CD1 PHE A 93 11.259 -0.880 0.522 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.888 -0.734 0.308 1.00 0.00 C ATOM 1484 CE1 PHE A 93 11.213 -0.064 1.635 1.00 0.00 C ATOM 1485 CE2 PHE A 93 8.835 0.084 1.421 1.00 0.00 C ATOM 1486 CZ PHE A 93 10.000 0.420 2.086 1.00 0.00 C ATOM 0 H PHE A 93 10.440 -3.847 -3.108 1.00 0.00 H new ATOM 0 HA PHE A 93 11.226 -3.695 -0.377 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.964 -1.783 -2.011 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.227 -2.004 -1.928 1.00 0.00 H new ATOM 0 HD1 PHE A 93 12.210 -1.254 0.173 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.975 -0.994 -0.208 1.00 0.00 H new ATOM 0 HE1 PHE A 93 12.125 0.196 2.153 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.885 0.460 1.771 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.962 1.059 2.956 1.00 0.00 H new ATOM 1496 N THR A 94 8.062 -4.388 -1.020 1.00 0.00 N ATOM 1497 CA THR A 94 6.830 -4.901 -0.428 1.00 0.00 C ATOM 1498 C THR A 94 7.069 -6.211 0.317 1.00 0.00 C ATOM 1499 O THR A 94 6.682 -6.354 1.477 1.00 0.00 O ATOM 1500 CB THR A 94 5.744 -5.128 -1.497 1.00 0.00 C ATOM 1501 OG1 THR A 94 6.287 -5.864 -2.599 1.00 0.00 O ATOM 1502 CG2 THR A 94 5.182 -3.802 -1.987 1.00 0.00 C ATOM 0 H THR A 94 8.018 -4.250 -2.030 1.00 0.00 H new ATOM 0 HA THR A 94 6.488 -4.144 0.278 1.00 0.00 H new ATOM 0 HB THR A 94 4.934 -5.701 -1.046 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.782 -5.256 -3.186 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.417 -3.987 -2.741 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.742 -3.261 -1.149 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.984 -3.206 -2.423 1.00 0.00 H new ATOM 1510 N THR A 95 7.707 -7.164 -0.356 1.00 0.00 N ATOM 1511 CA THR A 95 7.990 -8.465 0.241 1.00 0.00 C ATOM 1512 C THR A 95 8.796 -8.324 1.531 1.00 0.00 C ATOM 1513 O THR A 95 8.427 -8.880 2.566 1.00 0.00 O ATOM 1514 CB THR A 95 8.757 -9.379 -0.733 1.00 0.00 C ATOM 1515 OG1 THR A 95 9.941 -8.721 -1.196 1.00 0.00 O ATOM 1516 CG2 THR A 95 7.886 -9.760 -1.921 1.00 0.00 C ATOM 0 H THR A 95 8.038 -7.060 -1.315 1.00 0.00 H new ATOM 0 HA THR A 95 7.025 -8.918 0.470 1.00 0.00 H new ATOM 0 HB THR A 95 9.033 -10.288 -0.199 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.713 -8.121 -1.936 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.451 -10.405 -2.594 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.001 -10.289 -1.568 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.582 -8.859 -2.453 1.00 0.00 H new ATOM 1524 N THR A 96 9.895 -7.580 1.462 1.00 0.00 N ATOM 1525 CA THR A 96 10.754 -7.372 2.623 1.00 0.00 C ATOM 1526 C THR A 96 10.011 -6.644 3.740 1.00 0.00 C ATOM 1527 O THR A 96 10.294 -6.846 4.921 1.00 0.00 O ATOM 1528 CB THR A 96 12.015 -6.569 2.247 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.711 -7.223 1.178 1.00 0.00 O ATOM 1530 CG2 THR A 96 12.944 -6.423 3.444 1.00 0.00 C ATOM 0 H THR A 96 10.212 -7.111 0.614 1.00 0.00 H new ATOM 0 HA THR A 96 11.051 -8.359 2.978 1.00 0.00 H new ATOM 0 HB THR A 96 11.702 -5.575 1.926 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.300 -6.979 0.322 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.826 -5.853 3.153 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.423 -5.901 4.247 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.249 -7.410 3.791 1.00 0.00 H new ATOM 1538 N LEU A 97 9.063 -5.796 3.359 1.00 0.00 N ATOM 1539 CA LEU A 97 8.279 -5.033 4.326 1.00 0.00 C ATOM 1540 C LEU A 97 7.380 -5.947 5.157 1.00 0.00 C ATOM 1541 O LEU A 97 7.172 -5.710 6.347 1.00 0.00 O ATOM 1542 CB LEU A 97 7.432 -3.978 3.607 1.00 0.00 C ATOM 1543 CG LEU A 97 7.429 -2.589 4.255 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.564 -1.630 3.452 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.937 -2.670 5.693 1.00 0.00 C ATOM 0 H LEU A 97 8.817 -5.618 2.385 1.00 0.00 H new ATOM 0 HA LEU A 97 8.974 -4.536 5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.793 -3.882 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.404 -4.337 3.551 1.00 0.00 H new ATOM 0 HG LEU A 97 8.451 -2.211 4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.573 -0.648 3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.957 -1.547 2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.542 -2.006 3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.942 -1.674 6.136 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.923 -3.069 5.709 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.593 -3.325 6.266 1.00 0.00 H new ATOM 1557 N GLN A 98 6.854 -6.993 4.521 1.00 0.00 N ATOM 1558 CA GLN A 98 5.958 -7.935 5.192 1.00 0.00 C ATOM 1559 C GLN A 98 6.549 -8.439 6.506 1.00 0.00 C ATOM 1560 O GLN A 98 5.859 -8.479 7.525 1.00 0.00 O ATOM 1561 CB GLN A 98 5.652 -9.125 4.279 1.00 0.00 C ATOM 1562 CG GLN A 98 4.947 -8.741 2.988 1.00 0.00 C ATOM 1563 CD GLN A 98 4.609 -9.944 2.129 1.00 0.00 C ATOM 1564 OE1 GLN A 98 5.402 -10.361 1.284 1.00 0.00 O ATOM 1565 NE2 GLN A 98 3.426 -10.508 2.340 1.00 0.00 N ATOM 0 H GLN A 98 7.033 -7.210 3.541 1.00 0.00 H new ATOM 0 HA GLN A 98 5.035 -7.400 5.416 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.585 -9.634 4.035 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.032 -9.838 4.822 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.031 -8.200 3.225 1.00 0.00 H new ATOM 0 HG3 GLN A 98 5.581 -8.060 2.420 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.800 -10.129 3.051 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.143 -11.320 1.791 1.00 0.00 H new ATOM 1574 N HIS A 99 7.821 -8.820 6.484 1.00 0.00 N ATOM 1575 CA HIS A 99 8.477 -9.316 7.689 1.00 0.00 C ATOM 1576 C HIS A 99 9.106 -8.169 8.473 1.00 0.00 C ATOM 1577 O HIS A 99 9.178 -8.211 9.702 1.00 0.00 O ATOM 1578 CB HIS A 99 9.539 -10.363 7.337 1.00 0.00 C ATOM 1579 CG HIS A 99 10.665 -9.833 6.506 1.00 0.00 C ATOM 1580 ND1 HIS A 99 11.775 -9.217 7.047 1.00 0.00 N ATOM 1581 CD2 HIS A 99 10.855 -9.837 5.164 1.00 0.00 C ATOM 1582 CE1 HIS A 99 12.598 -8.865 6.074 1.00 0.00 C ATOM 1583 NE2 HIS A 99 12.063 -9.230 4.924 1.00 0.00 N ATOM 0 H HIS A 99 8.414 -8.796 5.654 1.00 0.00 H new ATOM 0 HA HIS A 99 7.719 -9.788 8.315 1.00 0.00 H new ATOM 0 HB2 HIS A 99 9.946 -10.777 8.260 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.062 -11.184 6.802 1.00 0.00 H new ATOM 0 HD1 HIS A 99 11.935 -9.058 8.042 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.182 -10.242 4.422 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.547 -8.364 6.199 1.00 0.00 H new ATOM 1592 N HIS A 100 9.547 -7.138 7.758 1.00 0.00 N ATOM 1593 CA HIS A 100 10.169 -5.983 8.392 1.00 0.00 C ATOM 1594 C HIS A 100 9.146 -5.205 9.211 1.00 0.00 C ATOM 1595 O HIS A 100 9.491 -4.262 9.924 1.00 0.00 O ATOM 1596 CB HIS A 100 10.802 -5.069 7.342 1.00 0.00 C ATOM 1597 CG HIS A 100 11.723 -4.043 7.926 1.00 0.00 C ATOM 1598 ND1 HIS A 100 11.292 -2.819 8.391 1.00 0.00 N ATOM 1599 CD2 HIS A 100 13.062 -4.069 8.126 1.00 0.00 C ATOM 1600 CE1 HIS A 100 12.325 -2.137 8.852 1.00 0.00 C ATOM 1601 NE2 HIS A 100 13.410 -2.872 8.703 1.00 0.00 N ATOM 0 H HIS A 100 9.485 -7.080 6.742 1.00 0.00 H new ATOM 0 HA HIS A 100 10.951 -6.344 9.060 1.00 0.00 H new ATOM 0 HB2 HIS A 100 11.355 -5.678 6.627 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.012 -4.564 6.787 1.00 0.00 H new ATOM 0 HD2 HIS A 100 13.731 -4.880 7.878 1.00 0.00 H new ATOM 0 HE1 HIS A 100 12.288 -1.146 9.279 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.354 -2.596 8.973 1.00 0.00 H new ATOM 1610 N LYS A 101 7.882 -5.606 9.099 1.00 0.00 N ATOM 1611 CA LYS A 101 6.804 -4.953 9.832 1.00 0.00 C ATOM 1612 C LYS A 101 7.059 -5.011 11.335 1.00 0.00 C ATOM 1613 O LYS A 101 6.479 -4.245 12.104 1.00 0.00 O ATOM 1614 CB LYS A 101 5.464 -5.616 9.503 1.00 0.00 C ATOM 1615 CG LYS A 101 4.263 -4.883 10.081 1.00 0.00 C ATOM 1616 CD LYS A 101 2.964 -5.614 9.783 1.00 0.00 C ATOM 1617 CE LYS A 101 2.886 -6.943 10.518 1.00 0.00 C ATOM 1618 NZ LYS A 101 2.971 -6.766 11.993 1.00 0.00 N ATOM 0 H LYS A 101 7.581 -6.380 8.507 1.00 0.00 H new ATOM 0 HA LYS A 101 6.769 -3.907 9.527 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.355 -5.677 8.420 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.472 -6.638 9.881 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.384 -4.780 11.159 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.217 -3.876 9.667 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.120 -4.988 10.072 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.881 -5.786 8.710 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.951 -7.443 10.265 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.695 -7.592 10.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.632 -7.628 12.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.959 -6.587 12.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.381 -5.959 12.280 1.00 0.00 H new ATOM 1632 N ASP A 102 7.936 -5.924 11.747 1.00 0.00 N ATOM 1633 CA ASP A 102 8.270 -6.084 13.160 1.00 0.00 C ATOM 1634 C ASP A 102 8.958 -4.839 13.716 1.00 0.00 C ATOM 1635 O ASP A 102 9.213 -4.746 14.916 1.00 0.00 O ATOM 1636 CB ASP A 102 9.176 -7.302 13.354 1.00 0.00 C ATOM 1637 CG ASP A 102 10.565 -7.087 12.787 1.00 0.00 C ATOM 1638 OD1 ASP A 102 10.741 -7.259 11.563 1.00 0.00 O ATOM 1639 OD2 ASP A 102 11.479 -6.744 13.566 1.00 0.00 O ATOM 0 H ASP A 102 8.428 -6.564 11.123 1.00 0.00 H new ATOM 0 HA ASP A 102 7.338 -6.232 13.706 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.252 -7.529 14.417 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.721 -8.169 12.875 1.00 0.00 H new ATOM 1644 N GLU A 103 9.260 -3.884 12.839 1.00 0.00 N ATOM 1645 CA GLU A 103 9.919 -2.650 13.252 1.00 0.00 C ATOM 1646 C GLU A 103 9.018 -1.440 13.025 1.00 0.00 C ATOM 1647 O GLU A 103 8.671 -0.728 13.968 1.00 0.00 O ATOM 1648 CB GLU A 103 11.235 -2.473 12.488 1.00 0.00 C ATOM 1649 CG GLU A 103 12.013 -1.230 12.893 1.00 0.00 C ATOM 1650 CD GLU A 103 12.334 -1.199 14.374 1.00 0.00 C ATOM 1651 OE1 GLU A 103 13.330 -1.834 14.779 1.00 0.00 O ATOM 1652 OE2 GLU A 103 11.587 -0.541 15.129 1.00 0.00 O ATOM 0 H GLU A 103 9.059 -3.942 11.841 1.00 0.00 H new ATOM 0 HA GLU A 103 10.129 -2.722 14.319 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.860 -3.351 12.650 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.022 -2.426 11.420 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.941 -1.185 12.323 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.435 -0.343 12.632 1.00 0.00 H new ATOM 1659 N VAL A 104 8.640 -1.213 11.770 1.00 0.00 N ATOM 1660 CA VAL A 104 7.782 -0.086 11.421 1.00 0.00 C ATOM 1661 C VAL A 104 6.409 -0.212 12.073 1.00 0.00 C ATOM 1662 O VAL A 104 6.119 -1.199 12.749 1.00 0.00 O ATOM 1663 CB VAL A 104 7.606 0.034 9.895 1.00 0.00 C ATOM 1664 CG1 VAL A 104 8.959 0.143 9.207 1.00 0.00 C ATOM 1665 CG2 VAL A 104 6.815 -1.146 9.349 1.00 0.00 C ATOM 0 H VAL A 104 8.915 -1.795 10.978 1.00 0.00 H new ATOM 0 HA VAL A 104 8.274 0.812 11.795 1.00 0.00 H new ATOM 0 HB VAL A 104 7.043 0.944 9.686 1.00 0.00 H new ATOM 0 HG11 VAL A 104 8.814 0.227 8.130 1.00 0.00 H new ATOM 0 HG12 VAL A 104 9.483 1.026 9.572 1.00 0.00 H new ATOM 0 HG13 VAL A 104 9.551 -0.746 9.425 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.703 -1.041 8.270 1.00 0.00 H new ATOM 0 HG22 VAL A 104 7.345 -2.073 9.570 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.830 -1.171 9.816 1.00 0.00 H new ATOM 1675 N ALA A 105 5.566 0.795 11.864 1.00 0.00 N ATOM 1676 CA ALA A 105 4.224 0.798 12.434 1.00 0.00 C ATOM 1677 C ALA A 105 3.309 -0.176 11.697 1.00 0.00 C ATOM 1678 O ALA A 105 2.904 0.073 10.560 1.00 0.00 O ATOM 1679 CB ALA A 105 3.640 2.202 12.401 1.00 0.00 C ATOM 0 H ALA A 105 5.789 1.618 11.305 1.00 0.00 H new ATOM 0 HA ALA A 105 4.297 0.470 13.471 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.638 2.189 12.830 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.274 2.873 12.980 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.589 2.551 11.370 1.00 0.00 H new ATOM 1685 N GLY A 106 2.989 -1.288 12.354 1.00 0.00 N ATOM 1686 CA GLY A 106 2.122 -2.284 11.753 1.00 0.00 C ATOM 1687 C GLY A 106 0.761 -1.722 11.389 1.00 0.00 C ATOM 1688 O GLY A 106 0.132 -2.171 10.432 1.00 0.00 O ATOM 0 H GLY A 106 3.316 -1.516 13.293 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.598 -2.684 10.858 1.00 0.00 H new ATOM 0 HA3 GLY A 106 1.995 -3.116 12.445 1.00 0.00 H new ATOM 1692 N ASP A 107 0.306 -0.738 12.160 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.986 -0.110 11.915 1.00 0.00 C ATOM 1694 C ASP A 107 -1.008 0.585 10.557 1.00 0.00 C ATOM 1695 O ASP A 107 -2.037 0.612 9.880 1.00 0.00 O ATOM 1696 CB ASP A 107 -1.308 0.897 13.022 1.00 0.00 C ATOM 1697 CG ASP A 107 -0.234 1.956 13.174 1.00 0.00 C ATOM 1698 OD1 ASP A 107 -0.324 2.995 12.488 1.00 0.00 O ATOM 1699 OD2 ASP A 107 0.697 1.745 13.980 1.00 0.00 O ATOM 0 H ASP A 107 0.814 -0.359 12.959 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.745 -0.892 11.914 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.261 1.379 12.804 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.428 0.367 13.967 1.00 0.00 H new ATOM 1704 N ILE A 108 0.132 1.147 10.164 1.00 0.00 N ATOM 1705 CA ILE A 108 0.237 1.840 8.887 1.00 0.00 C ATOM 1706 C ILE A 108 0.246 0.853 7.723 1.00 0.00 C ATOM 1707 O ILE A 108 -0.499 1.015 6.756 1.00 0.00 O ATOM 1708 CB ILE A 108 1.501 2.721 8.820 1.00 0.00 C ATOM 1709 CG1 ILE A 108 1.483 3.756 9.950 1.00 0.00 C ATOM 1710 CG2 ILE A 108 1.596 3.405 7.461 1.00 0.00 C ATOM 1711 CD1 ILE A 108 2.704 4.649 9.984 1.00 0.00 C ATOM 0 H ILE A 108 0.993 1.135 10.711 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.640 2.482 8.805 1.00 0.00 H new ATOM 0 HB ILE A 108 2.380 2.089 8.947 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.594 4.377 9.846 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.399 3.236 10.904 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.493 4.024 7.427 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.646 2.650 6.676 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.717 4.031 7.306 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.616 5.354 10.811 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.597 4.039 10.120 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.779 5.198 9.046 1.00 0.00 H new ATOM 1723 N PHE A 109 1.089 -0.173 7.821 1.00 0.00 N ATOM 1724 CA PHE A 109 1.182 -1.182 6.770 1.00 0.00 C ATOM 1725 C PHE A 109 -0.134 -1.940 6.630 1.00 0.00 C ATOM 1726 O PHE A 109 -0.465 -2.428 5.550 1.00 0.00 O ATOM 1727 CB PHE A 109 2.326 -2.165 7.041 1.00 0.00 C ATOM 1728 CG PHE A 109 2.555 -3.141 5.913 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.625 -2.700 4.599 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.694 -4.496 6.168 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.828 -3.591 3.560 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.900 -5.393 5.133 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.966 -4.939 3.828 1.00 0.00 C ATOM 0 H PHE A 109 1.714 -0.327 8.613 1.00 0.00 H new ATOM 0 HA PHE A 109 1.391 -0.662 5.835 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.243 -1.604 7.218 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.110 -2.720 7.954 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.520 -1.647 4.384 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.641 -4.856 7.185 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.878 -3.233 2.542 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.009 -6.446 5.345 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.125 -5.638 3.020 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.876 -2.040 7.732 1.00 0.00 N ATOM 1744 CA ASP A 110 -2.156 -2.744 7.736 1.00 0.00 C ATOM 1745 C ASP A 110 -3.033 -2.292 6.572 1.00 0.00 C ATOM 1746 O ASP A 110 -3.808 -3.077 6.025 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.886 -2.509 9.059 1.00 0.00 C ATOM 1748 CG ASP A 110 -4.234 -3.203 9.105 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -4.269 -4.411 9.417 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -5.253 -2.536 8.829 1.00 0.00 O ATOM 0 H ASP A 110 -0.612 -1.642 8.633 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.955 -3.809 7.622 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.267 -2.868 9.881 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.026 -1.438 9.209 1.00 0.00 H new ATOM 1755 N MET A 111 -2.908 -1.024 6.203 1.00 0.00 N ATOM 1756 CA MET A 111 -3.675 -0.473 5.092 1.00 0.00 C ATOM 1757 C MET A 111 -3.137 -1.014 3.771 1.00 0.00 C ATOM 1758 O MET A 111 -3.895 -1.451 2.904 1.00 0.00 O ATOM 1759 CB MET A 111 -3.597 1.055 5.105 1.00 0.00 C ATOM 1760 CG MET A 111 -4.241 1.712 3.894 1.00 0.00 C ATOM 1761 SD MET A 111 -3.861 3.471 3.775 1.00 0.00 S ATOM 1762 CE MET A 111 -2.081 3.419 3.575 1.00 0.00 C ATOM 0 H MET A 111 -2.283 -0.357 6.656 1.00 0.00 H new ATOM 0 HA MET A 111 -4.718 -0.772 5.199 1.00 0.00 H new ATOM 0 HB2 MET A 111 -4.080 1.427 6.008 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.551 1.356 5.157 1.00 0.00 H new ATOM 0 HG2 MET A 111 -3.901 1.209 2.989 1.00 0.00 H new ATOM 0 HG3 MET A 111 -5.322 1.580 3.946 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.746 4.320 3.061 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.606 3.363 4.555 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.806 2.543 2.988 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.816 -0.982 3.640 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.137 -1.460 2.442 1.00 0.00 C ATOM 1774 C LEU A 112 -1.345 -2.960 2.246 1.00 0.00 C ATOM 1775 O LEU A 112 -1.233 -3.466 1.132 1.00 0.00 O ATOM 1776 CB LEU A 112 0.355 -1.143 2.531 1.00 0.00 C ATOM 1777 CG LEU A 112 0.701 0.347 2.483 1.00 0.00 C ATOM 1778 CD1 LEU A 112 2.112 0.586 2.997 1.00 0.00 C ATOM 1779 CD2 LEU A 112 0.554 0.880 1.066 1.00 0.00 C ATOM 0 H LEU A 112 -1.187 -0.625 4.359 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.566 -0.948 1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.746 -1.562 3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.868 -1.647 1.712 1.00 0.00 H new ATOM 0 HG LEU A 112 0.005 0.883 3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.339 1.651 2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.187 0.239 4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.822 0.039 2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.804 1.941 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.227 0.338 0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.474 0.744 0.731 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.650 -3.663 3.334 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.865 -5.109 3.283 1.00 0.00 C ATOM 1793 C LEU A 113 -2.844 -5.484 2.176 1.00 0.00 C ATOM 1794 O LEU A 113 -2.797 -6.594 1.646 1.00 0.00 O ATOM 1795 CB LEU A 113 -2.382 -5.626 4.628 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.316 -5.822 5.709 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -1.956 -6.271 7.013 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -0.273 -6.836 5.254 1.00 0.00 C ATOM 0 H LEU A 113 -1.754 -3.255 4.263 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.904 -5.576 3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.131 -4.929 5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.887 -6.578 4.463 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.819 -4.867 5.878 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.183 -6.405 7.770 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.666 -5.515 7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.478 -7.215 6.856 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.477 -6.962 6.035 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.757 -7.793 5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.208 -6.479 4.344 1.00 0.00 H new ATOM 1810 N THR A 114 -3.736 -4.555 1.836 1.00 0.00 N ATOM 1811 CA THR A 114 -4.729 -4.786 0.791 1.00 0.00 C ATOM 1812 C THR A 114 -4.081 -5.130 -0.553 1.00 0.00 C ATOM 1813 O THR A 114 -4.780 -5.357 -1.541 1.00 0.00 O ATOM 1814 CB THR A 114 -5.636 -3.557 0.603 1.00 0.00 C ATOM 1815 OG1 THR A 114 -4.852 -2.422 0.220 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.396 -3.246 1.883 1.00 0.00 C ATOM 0 H THR A 114 -3.790 -3.634 2.271 1.00 0.00 H new ATOM 0 HA THR A 114 -5.326 -5.636 1.121 1.00 0.00 H new ATOM 0 HB THR A 114 -6.356 -3.782 -0.184 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.461 -2.010 1.019 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.031 -2.374 1.727 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.015 -4.101 2.155 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.688 -3.040 2.686 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.749 -5.165 -0.591 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.029 -5.487 -1.820 1.00 0.00 C ATOM 1826 C PHE A 115 -2.316 -6.919 -2.261 1.00 0.00 C ATOM 1827 O PHE A 115 -2.379 -7.209 -3.457 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.517 -5.305 -1.632 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.053 -3.872 -1.665 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -0.595 -2.969 -2.567 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.937 -3.431 -0.798 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.162 -1.656 -2.602 1.00 0.00 C ATOM 1833 CE2 PHE A 115 1.372 -2.120 -0.829 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.822 -1.232 -1.732 1.00 0.00 C ATOM 0 H PHE A 115 -2.150 -4.975 0.212 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.377 -4.801 -2.592 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.226 -5.746 -0.679 1.00 0.00 H new ATOM 0 HB3 PHE A 115 0.003 -5.861 -2.412 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.365 -3.295 -3.251 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.373 -4.121 -0.091 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -0.593 -0.963 -3.309 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.142 -1.790 -0.147 1.00 0.00 H new ATOM 0 HZ PHE A 115 1.161 -0.207 -1.758 1.00 0.00 H new ATOM 1844 N THR A 116 -2.491 -7.813 -1.291 1.00 0.00 N ATOM 1845 CA THR A 116 -2.763 -9.217 -1.585 1.00 0.00 C ATOM 1846 C THR A 116 -3.778 -9.809 -0.611 1.00 0.00 C ATOM 1847 O THR A 116 -4.554 -10.694 -0.973 1.00 0.00 O ATOM 1848 CB THR A 116 -1.477 -10.063 -1.532 1.00 0.00 C ATOM 1849 OG1 THR A 116 -0.848 -9.917 -0.252 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.505 -9.650 -2.628 1.00 0.00 C ATOM 0 H THR A 116 -2.449 -7.591 -0.296 1.00 0.00 H new ATOM 0 HA THR A 116 -3.174 -9.245 -2.594 1.00 0.00 H new ATOM 0 HB THR A 116 -1.751 -11.106 -1.688 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.032 -10.459 -0.225 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.394 -10.263 -2.567 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.974 -9.789 -3.602 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.238 -8.601 -2.501 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.766 -9.317 0.623 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.681 -9.809 1.648 1.00 0.00 C ATOM 1860 C ASP A 117 -6.123 -9.431 1.323 1.00 0.00 C ATOM 1861 O ASP A 117 -6.610 -8.379 1.743 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.291 -9.258 3.021 1.00 0.00 C ATOM 1863 CG ASP A 117 -4.791 -10.130 4.157 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -4.079 -11.088 4.526 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -5.892 -9.856 4.677 1.00 0.00 O ATOM 0 H ASP A 117 -3.135 -8.580 0.938 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.608 -10.896 1.669 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -3.206 -9.174 3.081 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.695 -8.252 3.134 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.802 -10.293 0.571 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.189 -10.049 0.193 1.00 0.00 C ATOM 1872 C PHE A 118 -9.077 -9.974 1.432 1.00 0.00 C ATOM 1873 O PHE A 118 -10.140 -9.354 1.407 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.688 -11.150 -0.747 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.032 -10.861 -1.355 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.148 -9.990 -2.428 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.177 -11.462 -0.857 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.382 -9.725 -2.992 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.413 -11.199 -1.417 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.516 -10.330 -2.486 1.00 0.00 C ATOM 0 H PHE A 118 -6.414 -11.165 0.212 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.239 -9.093 -0.329 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.960 -11.291 -1.546 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.742 -12.089 -0.196 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.265 -9.514 -2.827 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -11.103 -12.143 -0.022 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.459 -9.045 -3.828 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.298 -11.673 -1.019 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.481 -10.124 -2.925 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.631 -10.609 2.513 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.381 -10.609 3.765 1.00 0.00 C ATOM 1892 C LEU A 119 -9.369 -9.224 4.399 1.00 0.00 C ATOM 1893 O LEU A 119 -10.365 -8.786 4.976 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.798 -11.634 4.748 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.094 -13.104 4.430 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -10.594 -13.345 4.342 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -8.406 -13.529 3.141 1.00 0.00 C ATOM 0 H LEU A 119 -7.755 -11.130 2.547 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.411 -10.885 3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.717 -11.500 4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.181 -11.413 5.744 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.697 -13.712 5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.781 -14.395 4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.060 -13.091 5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -11.017 -12.723 3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.631 -14.576 2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.765 -12.913 2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.328 -13.403 3.245 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.236 -8.537 4.288 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.089 -7.201 4.851 1.00 0.00 C ATOM 1911 C ALA A 120 -8.806 -6.165 3.993 1.00 0.00 C ATOM 1912 O ALA A 120 -9.233 -5.124 4.486 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.616 -6.847 4.988 1.00 0.00 C ATOM 0 H ALA A 120 -7.404 -8.886 3.811 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.546 -7.196 5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.520 -5.846 5.410 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.129 -7.566 5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.142 -6.874 4.007 1.00 0.00 H new ATOM 1919 N PHE A 121 -8.931 -6.463 2.706 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.591 -5.563 1.768 1.00 0.00 C ATOM 1921 C PHE A 121 -11.092 -5.492 2.045 1.00 0.00 C ATOM 1922 O PHE A 121 -11.649 -4.409 2.253 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.340 -6.042 0.335 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.621 -5.010 -0.723 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -9.115 -3.725 -0.612 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.384 -5.332 -1.834 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.366 -2.780 -1.588 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.636 -4.390 -2.815 1.00 0.00 C ATOM 1929 CZ PHE A 121 -10.127 -3.113 -2.691 1.00 0.00 C ATOM 0 H PHE A 121 -8.582 -7.325 2.286 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.177 -4.563 1.894 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.301 -6.360 0.248 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.959 -6.918 0.144 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.517 -3.459 0.247 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.786 -6.329 -1.935 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.967 -1.781 -1.488 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.231 -4.653 -3.677 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.324 -2.376 -3.455 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.738 -6.654 2.063 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.173 -6.728 2.311 1.00 0.00 C ATOM 1941 C LYS A 122 -13.510 -6.253 3.720 1.00 0.00 C ATOM 1942 O LYS A 122 -14.409 -5.433 3.911 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.673 -8.161 2.115 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.187 -8.285 2.122 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.630 -9.731 1.967 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.140 -9.840 1.824 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.854 -9.226 2.977 1.00 0.00 N ATOM 0 H LYS A 122 -11.290 -7.557 1.909 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.671 -6.073 1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.290 -8.544 1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.262 -8.791 2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.582 -7.881 3.054 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.606 -7.687 1.313 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.148 -10.168 1.092 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.303 -10.307 2.832 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.453 -9.351 0.901 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.422 -10.890 1.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.874 -9.410 2.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.501 -9.639 3.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.687 -8.200 2.982 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.782 -6.772 4.704 1.00 0.00 N ATOM 1962 CA GLU A 123 -13.006 -6.406 6.098 1.00 0.00 C ATOM 1963 C GLU A 123 -12.830 -4.906 6.301 1.00 0.00 C ATOM 1964 O GLU A 123 -13.467 -4.309 7.169 1.00 0.00 O ATOM 1965 CB GLU A 123 -12.045 -7.173 7.009 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.297 -6.948 8.492 1.00 0.00 C ATOM 1967 CD GLU A 123 -13.670 -7.421 8.929 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -13.800 -8.607 9.297 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -14.614 -6.603 8.904 1.00 0.00 O ATOM 0 H GLU A 123 -12.031 -7.448 4.561 1.00 0.00 H new ATOM 0 HA GLU A 123 -14.031 -6.671 6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -12.126 -8.238 6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -11.022 -6.878 6.774 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -11.536 -7.472 9.070 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -12.194 -5.887 8.717 1.00 0.00 H new ATOM 1976 N MET A 124 -11.959 -4.302 5.498 1.00 0.00 N ATOM 1977 CA MET A 124 -11.706 -2.870 5.591 1.00 0.00 C ATOM 1978 C MET A 124 -12.949 -2.077 5.207 1.00 0.00 C ATOM 1979 O MET A 124 -13.325 -1.127 5.893 1.00 0.00 O ATOM 1980 CB MET A 124 -10.527 -2.475 4.697 1.00 0.00 C ATOM 1981 CG MET A 124 -10.396 -0.977 4.473 1.00 0.00 C ATOM 1982 SD MET A 124 -11.180 -0.434 2.946 1.00 0.00 S ATOM 1983 CE MET A 124 -10.147 -1.258 1.741 1.00 0.00 C ATOM 0 H MET A 124 -11.418 -4.781 4.778 1.00 0.00 H new ATOM 0 HA MET A 124 -11.454 -2.635 6.625 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.605 -2.847 5.144 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.635 -2.968 3.731 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.842 -0.447 5.315 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.340 -0.708 4.451 1.00 0.00 H new ATOM 0 HE1 MET A 124 -10.057 -0.634 0.851 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.158 -1.429 2.166 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.595 -2.214 1.470 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.582 -2.470 4.105 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.787 -1.790 3.641 1.00 0.00 C ATOM 1995 C PHE A 125 -15.934 -1.957 4.633 1.00 0.00 C ATOM 1996 O PHE A 125 -16.697 -1.021 4.873 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.208 -2.320 2.270 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.264 -1.948 1.163 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.960 -0.619 0.910 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.681 -2.927 0.376 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -13.092 -0.276 -0.107 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.814 -2.588 -0.643 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.518 -1.261 -0.885 1.00 0.00 C ATOM 0 H PHE A 125 -13.283 -3.250 3.520 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.555 -0.728 3.559 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.287 -3.406 2.319 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.201 -1.939 2.032 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.407 0.156 1.515 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.907 -3.967 0.562 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.862 0.763 -0.294 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.367 -3.361 -1.251 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.839 -0.995 -1.681 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.051 -3.150 5.207 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.112 -3.435 6.167 1.00 0.00 C ATOM 2015 C LEU A 126 -16.968 -2.573 7.416 1.00 0.00 C ATOM 2016 O LEU A 126 -17.935 -1.966 7.877 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.102 -4.917 6.551 1.00 0.00 C ATOM 2018 CG LEU A 126 -17.286 -5.895 5.387 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.231 -7.331 5.885 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -18.601 -5.632 4.668 1.00 0.00 C ATOM 0 H LEU A 126 -15.425 -3.934 5.025 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.064 -3.197 5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.157 -5.141 7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.893 -5.092 7.280 1.00 0.00 H new ATOM 0 HG LEU A 126 -16.471 -5.742 4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -17.364 -8.013 5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -16.265 -7.517 6.354 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -18.025 -7.494 6.613 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.713 -6.337 3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -19.429 -5.756 5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.605 -4.614 4.277 1.00 0.00 H new ATOM 2032 N ASP A 127 -15.757 -2.525 7.962 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.489 -1.736 9.159 1.00 0.00 C ATOM 2034 C ASP A 127 -15.732 -0.253 8.895 1.00 0.00 C ATOM 2035 O ASP A 127 -16.314 0.449 9.724 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.051 -1.955 9.630 1.00 0.00 C ATOM 2037 CG ASP A 127 -13.714 -1.128 10.855 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -13.247 0.019 10.688 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -13.917 -1.626 11.983 1.00 0.00 O ATOM 0 H ASP A 127 -14.946 -3.023 7.595 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.172 -2.065 9.942 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -13.902 -3.011 9.855 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.364 -1.701 8.823 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.281 0.217 7.736 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.449 1.616 7.360 1.00 0.00 C ATOM 2046 C TYR A 128 -16.927 1.982 7.305 1.00 0.00 C ATOM 2047 O TYR A 128 -17.324 3.071 7.723 1.00 0.00 O ATOM 2048 CB TYR A 128 -14.790 1.886 6.007 1.00 0.00 C ATOM 2049 CG TYR A 128 -14.854 3.335 5.579 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.040 4.289 6.177 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -15.726 3.748 4.580 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -14.095 5.614 5.791 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -15.785 5.073 4.189 1.00 0.00 C ATOM 2054 CZ TYR A 128 -14.968 6.001 4.797 1.00 0.00 C ATOM 2055 OH TYR A 128 -15.024 7.321 4.412 1.00 0.00 O ATOM 0 H TYR A 128 -14.796 -0.351 7.041 1.00 0.00 H new ATOM 0 HA TYR A 128 -14.966 2.235 8.116 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -13.746 1.575 6.053 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.273 1.270 5.248 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -13.354 3.990 6.956 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -16.368 3.023 4.101 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -13.456 6.344 6.266 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -16.468 5.379 3.411 1.00 0.00 H new ATOM 0 HH TYR A 128 -15.689 7.426 3.700 1.00 0.00 H new ATOM 2065 N ARG A 129 -17.737 1.065 6.785 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.173 1.287 6.682 1.00 0.00 C ATOM 2067 C ARG A 129 -19.804 1.369 8.067 1.00 0.00 C ATOM 2068 O ARG A 129 -20.749 2.126 8.286 1.00 0.00 O ATOM 2069 CB ARG A 129 -19.828 0.165 5.873 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.327 0.335 5.696 1.00 0.00 C ATOM 2071 CD ARG A 129 -21.919 -0.786 4.858 1.00 0.00 C ATOM 2072 NE ARG A 129 -21.663 -2.098 5.443 1.00 0.00 N ATOM 2073 CZ ARG A 129 -22.038 -3.241 4.878 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -22.676 -3.231 3.715 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -21.777 -4.396 5.474 1.00 0.00 N ATOM 0 H ARG A 129 -17.423 0.162 6.429 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.337 2.234 6.168 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.358 0.116 4.891 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.635 -0.787 6.367 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -21.810 0.354 6.673 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.532 1.294 5.220 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -22.994 -0.636 4.759 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.499 -0.749 3.853 1.00 0.00 H new ATOM 0 HE ARG A 129 -21.169 -2.140 6.334 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -22.880 -2.345 3.253 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -22.963 -4.109 3.283 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -21.287 -4.409 6.369 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -22.066 -5.272 5.038 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.273 0.585 9.000 1.00 0.00 N ATOM 2090 CA ALA A 130 -19.782 0.568 10.366 1.00 0.00 C ATOM 2091 C ALA A 130 -19.540 1.905 11.056 1.00 0.00 C ATOM 2092 O ALA A 130 -20.331 2.333 11.899 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.135 -0.561 11.156 1.00 0.00 C ATOM 0 H ALA A 130 -18.490 -0.047 8.834 1.00 0.00 H new ATOM 0 HA ALA A 130 -20.858 0.398 10.326 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -19.524 -0.562 12.174 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.362 -1.515 10.680 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.055 -0.416 11.180 1.00 0.00 H new ATOM 2099 N GLU A 131 -18.442 2.561 10.695 1.00 0.00 N ATOM 2100 CA GLU A 131 -18.094 3.852 11.279 1.00 0.00 C ATOM 2101 C GLU A 131 -19.056 4.945 10.818 1.00 0.00 C ATOM 2102 O GLU A 131 -19.148 6.004 11.438 1.00 0.00 O ATOM 2103 CB GLU A 131 -16.658 4.228 10.910 1.00 0.00 C ATOM 2104 CG GLU A 131 -15.624 3.248 11.439 1.00 0.00 C ATOM 2105 CD GLU A 131 -14.205 3.636 11.070 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -13.583 4.404 11.834 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -13.716 3.169 10.021 1.00 0.00 O ATOM 0 H GLU A 131 -17.777 2.220 10.000 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.175 3.764 12.362 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.572 4.285 9.825 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -16.439 5.222 11.300 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -15.709 3.187 12.524 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -15.838 2.254 11.047 1.00 0.00 H new