USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 725 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 33 SER OG : rot 160:sc= -0.0509 USER MOD Set 1.2: A 35 ASN : amide:sc= -1.24 X(o=-1.3,f=-1.6!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 15:sc= 0.313 USER MOD Single : A 30 ASN : amide:sc= -0.122 K(o=-0.12,f=-2.1!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -163:sc= -0.017 (180deg=-0.26) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 120:sc= -0.0297 USER MOD Single : A 58 SER OG : rot 180:sc= -0.563 USER MOD Single : A 59 HIS :FLIP no HE2:sc= -7.56! C(o=-9.3!,f=-7.6!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= -0.152 USER MOD Single : A 67 SER OG : rot 21:sc= 1.07 USER MOD Single : A 68 LYS NZ :NH3+ -154:sc= -0.54 (180deg=-1.52!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.443 X(o=-0.44,f=-0.3) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.0202 K(o=-0.02,f=-1.7!) USER MOD Single : A 88 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-1.7!) USER MOD Single : A 89 ASN : amide:sc= -0.108 K(o=-0.11,f=-2.2!) USER MOD Single : A 91 THR OG1 : rot 48:sc= 0.0551 USER MOD Single : A 92 CYS SG : rot 48:sc= 0.519 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -49:sc= 0.23 USER MOD Single : A 108 SER OG : rot -120:sc= -0.139 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 199 N ALA A 17 -14.201 6.354 9.907 1.00 0.00 N ATOM 200 CA ALA A 17 -13.092 5.891 9.081 1.00 0.00 C ATOM 201 C ALA A 17 -11.847 6.742 9.308 1.00 0.00 C ATOM 202 O ALA A 17 -11.921 7.890 9.745 1.00 0.00 O ATOM 203 CB ALA A 17 -13.485 5.908 7.612 1.00 0.00 C ATOM 0 HA ALA A 17 -12.858 4.867 9.371 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.648 5.560 7.007 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.342 5.252 7.457 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -13.748 6.924 7.317 1.00 0.00 H new ATOM 209 N PRO A 18 -10.674 6.166 9.006 1.00 0.00 N ATOM 210 CA PRO A 18 -9.390 6.854 9.169 1.00 0.00 C ATOM 211 C PRO A 18 -9.206 7.985 8.162 1.00 0.00 C ATOM 212 O PRO A 18 -8.693 7.774 7.063 1.00 0.00 O ATOM 213 CB PRO A 18 -8.361 5.748 8.923 1.00 0.00 C ATOM 214 CG PRO A 18 -9.067 4.758 8.062 1.00 0.00 C ATOM 215 CD PRO A 18 -10.510 4.800 8.481 1.00 0.00 C ATOM 0 HA PRO A 18 -9.303 7.327 10.147 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.471 6.138 8.429 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.034 5.296 9.859 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.959 5.011 7.007 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.651 3.759 8.194 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.178 4.610 7.641 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.730 4.049 9.240 1.00 0.00 H new ATOM 223 N SER A 19 -9.627 9.186 8.545 1.00 0.00 N ATOM 224 CA SER A 19 -9.512 10.350 7.675 1.00 0.00 C ATOM 225 C SER A 19 -8.090 10.902 7.691 1.00 0.00 C ATOM 226 O SER A 19 -7.883 12.114 7.757 1.00 0.00 O ATOM 227 CB SER A 19 -10.498 11.437 8.107 1.00 0.00 C ATOM 228 OG SER A 19 -10.928 12.207 6.998 1.00 0.00 O ATOM 0 H SER A 19 -10.051 9.378 9.453 1.00 0.00 H new ATOM 0 HA SER A 19 -9.751 10.037 6.658 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.360 10.978 8.591 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.027 12.087 8.844 1.00 0.00 H new ATOM 0 HG SER A 19 -11.558 12.893 7.301 1.00 0.00 H new ATOM 234 N VAL A 20 -7.112 10.003 7.630 1.00 0.00 N ATOM 235 CA VAL A 20 -5.709 10.399 7.637 1.00 0.00 C ATOM 236 C VAL A 20 -4.824 9.292 7.075 1.00 0.00 C ATOM 237 O VAL A 20 -5.148 8.110 7.181 1.00 0.00 O ATOM 238 CB VAL A 20 -5.232 10.750 9.059 1.00 0.00 C ATOM 239 CG1 VAL A 20 -6.065 11.884 9.637 1.00 0.00 C ATOM 240 CG2 VAL A 20 -5.288 9.524 9.958 1.00 0.00 C ATOM 0 H VAL A 20 -7.266 8.996 7.575 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.626 11.283 7.005 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.196 11.084 9.004 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.714 12.118 10.642 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.968 12.766 9.004 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.111 11.582 9.680 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.947 9.791 10.959 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.313 9.157 10.009 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.644 8.745 9.551 1.00 0.00 H new ATOM 250 N ALA A 21 -3.704 9.685 6.476 1.00 0.00 N ATOM 251 CA ALA A 21 -2.770 8.726 5.899 1.00 0.00 C ATOM 252 C ALA A 21 -1.462 8.694 6.683 1.00 0.00 C ATOM 253 O ALA A 21 -1.197 9.547 7.530 1.00 0.00 O ATOM 254 CB ALA A 21 -2.504 9.062 4.439 1.00 0.00 C ATOM 0 H ALA A 21 -3.422 10.660 6.378 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.222 7.736 5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.805 8.338 4.021 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.440 9.027 3.881 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.076 10.062 4.368 1.00 0.00 H new ATOM 260 N PRO A 22 -0.624 7.686 6.396 1.00 0.00 N ATOM 261 CA PRO A 22 0.670 7.519 7.064 1.00 0.00 C ATOM 262 C PRO A 22 1.673 8.596 6.664 1.00 0.00 C ATOM 263 O PRO A 22 1.759 8.975 5.495 1.00 0.00 O ATOM 264 CB PRO A 22 1.142 6.144 6.583 1.00 0.00 C ATOM 265 CG PRO A 22 0.455 5.944 5.277 1.00 0.00 C ATOM 266 CD PRO A 22 -0.876 6.633 5.398 1.00 0.00 C ATOM 0 HA PRO A 22 0.583 7.601 8.147 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.226 6.115 6.469 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.875 5.363 7.295 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.040 6.366 4.460 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.327 4.883 5.062 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.200 7.051 4.445 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.656 5.946 5.726 1.00 0.00 H new ATOM 274 N LEU A 23 2.428 9.086 7.640 1.00 0.00 N ATOM 275 CA LEU A 23 3.426 10.121 7.389 1.00 0.00 C ATOM 276 C LEU A 23 4.810 9.508 7.199 1.00 0.00 C ATOM 277 O LEU A 23 5.007 8.314 7.422 1.00 0.00 O ATOM 278 CB LEU A 23 3.454 11.122 8.546 1.00 0.00 C ATOM 279 CG LEU A 23 2.954 10.603 9.895 1.00 0.00 C ATOM 280 CD1 LEU A 23 3.368 11.544 11.015 1.00 0.00 C ATOM 281 CD2 LEU A 23 1.443 10.429 9.873 1.00 0.00 C ATOM 0 H LEU A 23 2.369 8.784 8.612 1.00 0.00 H new ATOM 0 HA LEU A 23 3.150 10.642 6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.478 11.473 8.671 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.852 11.987 8.266 1.00 0.00 H new ATOM 0 HG LEU A 23 3.409 9.630 10.079 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.004 11.159 11.967 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.455 11.617 11.045 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.943 12.532 10.836 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.105 10.059 10.841 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.969 11.389 9.666 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.170 9.715 9.096 1.00 0.00 H new ATOM 293 N ASN A 24 5.766 10.334 6.788 1.00 0.00 N ATOM 294 CA ASN A 24 7.132 9.874 6.570 1.00 0.00 C ATOM 295 C ASN A 24 7.161 8.690 5.607 1.00 0.00 C ATOM 296 O ASN A 24 7.993 7.792 5.734 1.00 0.00 O ATOM 297 CB ASN A 24 7.778 9.479 7.900 1.00 0.00 C ATOM 298 CG ASN A 24 8.270 10.681 8.683 1.00 0.00 C ATOM 299 OD1 ASN A 24 9.396 11.141 8.494 1.00 0.00 O ATOM 300 ND2 ASN A 24 7.424 11.196 9.568 1.00 0.00 N ATOM 0 H ASN A 24 5.620 11.326 6.599 1.00 0.00 H new ATOM 0 HA ASN A 24 7.698 10.694 6.128 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.056 8.927 8.502 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.614 8.806 7.709 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.698 12.006 10.124 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.500 10.782 9.691 1.00 0.00 H new ATOM 307 N VAL A 25 6.245 8.697 4.644 1.00 0.00 N ATOM 308 CA VAL A 25 6.165 7.625 3.658 1.00 0.00 C ATOM 309 C VAL A 25 7.391 7.620 2.751 1.00 0.00 C ATOM 310 O VAL A 25 7.683 8.609 2.077 1.00 0.00 O ATOM 311 CB VAL A 25 4.899 7.754 2.790 1.00 0.00 C ATOM 312 CG1 VAL A 25 4.873 6.673 1.720 1.00 0.00 C ATOM 313 CG2 VAL A 25 3.651 7.688 3.657 1.00 0.00 C ATOM 0 H VAL A 25 5.548 9.432 4.525 1.00 0.00 H new ATOM 0 HA VAL A 25 6.123 6.688 4.212 1.00 0.00 H new ATOM 0 HB VAL A 25 4.917 8.724 2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.972 6.780 1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.751 6.772 1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.878 5.692 2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.766 7.781 3.028 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.624 6.734 4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.668 8.502 4.382 1.00 0.00 H new ATOM 323 N THR A 26 8.107 6.500 2.739 1.00 0.00 N ATOM 324 CA THR A 26 9.302 6.366 1.916 1.00 0.00 C ATOM 325 C THR A 26 9.314 5.032 1.177 1.00 0.00 C ATOM 326 O THR A 26 8.607 4.097 1.553 1.00 0.00 O ATOM 327 CB THR A 26 10.583 6.482 2.762 1.00 0.00 C ATOM 328 OG1 THR A 26 10.381 5.875 4.043 1.00 0.00 O ATOM 329 CG2 THR A 26 10.981 7.939 2.944 1.00 0.00 C ATOM 0 H THR A 26 7.880 5.672 3.290 1.00 0.00 H new ATOM 0 HA THR A 26 9.279 7.180 1.191 1.00 0.00 H new ATOM 0 HB THR A 26 11.386 5.965 2.237 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.577 5.315 4.017 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.889 7.996 3.545 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.162 8.391 1.969 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.177 8.475 3.449 1.00 0.00 H new ATOM 337 N VAL A 27 10.121 4.951 0.124 1.00 0.00 N ATOM 338 CA VAL A 27 10.227 3.731 -0.666 1.00 0.00 C ATOM 339 C VAL A 27 11.673 3.454 -1.061 1.00 0.00 C ATOM 340 O VAL A 27 12.321 4.280 -1.704 1.00 0.00 O ATOM 341 CB VAL A 27 9.365 3.811 -1.940 1.00 0.00 C ATOM 342 CG1 VAL A 27 9.499 2.535 -2.757 1.00 0.00 C ATOM 343 CG2 VAL A 27 7.910 4.076 -1.583 1.00 0.00 C ATOM 0 H VAL A 27 10.711 5.717 -0.202 1.00 0.00 H new ATOM 0 HA VAL A 27 9.863 2.917 -0.040 1.00 0.00 H new ATOM 0 HB VAL A 27 9.723 4.642 -2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.883 2.610 -3.653 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.541 2.394 -3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.169 1.685 -2.160 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.316 4.129 -2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.537 3.268 -0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.834 5.021 -1.044 1.00 0.00 H new ATOM 353 N PHE A 28 12.174 2.287 -0.671 1.00 0.00 N ATOM 354 CA PHE A 28 13.545 1.901 -0.983 1.00 0.00 C ATOM 355 C PHE A 28 13.572 0.685 -1.905 1.00 0.00 C ATOM 356 O PHE A 28 12.973 -0.349 -1.605 1.00 0.00 O ATOM 357 CB PHE A 28 14.318 1.598 0.302 1.00 0.00 C ATOM 358 CG PHE A 28 14.779 2.828 1.029 1.00 0.00 C ATOM 359 CD1 PHE A 28 13.886 3.591 1.764 1.00 0.00 C ATOM 360 CD2 PHE A 28 16.107 3.223 0.977 1.00 0.00 C ATOM 361 CE1 PHE A 28 14.308 4.724 2.434 1.00 0.00 C ATOM 362 CE2 PHE A 28 16.534 4.354 1.645 1.00 0.00 C ATOM 363 CZ PHE A 28 15.633 5.107 2.374 1.00 0.00 C ATOM 0 H PHE A 28 11.651 1.592 -0.138 1.00 0.00 H new ATOM 0 HA PHE A 28 14.022 2.735 -1.497 1.00 0.00 H new ATOM 0 HB2 PHE A 28 13.686 1.009 0.966 1.00 0.00 H new ATOM 0 HB3 PHE A 28 15.185 0.983 0.059 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.848 3.297 1.814 1.00 0.00 H new ATOM 0 HD2 PHE A 28 16.816 2.640 0.408 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.602 5.309 3.004 1.00 0.00 H new ATOM 0 HE2 PHE A 28 17.572 4.650 1.598 1.00 0.00 H new ATOM 0 HZ PHE A 28 15.965 5.993 2.895 1.00 0.00 H new ATOM 373 N LEU A 29 14.269 0.817 -3.028 1.00 0.00 N ATOM 374 CA LEU A 29 14.374 -0.271 -3.995 1.00 0.00 C ATOM 375 C LEU A 29 15.752 -0.922 -3.935 1.00 0.00 C ATOM 376 O LEU A 29 16.770 -0.265 -4.147 1.00 0.00 O ATOM 377 CB LEU A 29 14.105 0.250 -5.408 1.00 0.00 C ATOM 378 CG LEU A 29 14.577 -0.645 -6.554 1.00 0.00 C ATOM 379 CD1 LEU A 29 13.711 -1.891 -6.651 1.00 0.00 C ATOM 380 CD2 LEU A 29 14.562 0.120 -7.869 1.00 0.00 C ATOM 0 H LEU A 29 14.770 1.666 -3.292 1.00 0.00 H new ATOM 0 HA LEU A 29 13.626 -1.023 -3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.032 0.410 -5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 29 14.585 1.223 -5.512 1.00 0.00 H new ATOM 0 HG LEU A 29 15.601 -0.955 -6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.063 -2.515 -7.472 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.773 -2.451 -5.718 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.676 -1.601 -6.833 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.901 -0.533 -8.674 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.548 0.460 -8.080 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.226 0.981 -7.796 1.00 0.00 H new ATOM 392 N ASN A 30 15.775 -2.219 -3.645 1.00 0.00 N ATOM 393 CA ASN A 30 17.028 -2.960 -3.559 1.00 0.00 C ATOM 394 C ASN A 30 17.424 -3.521 -4.921 1.00 0.00 C ATOM 395 O ASN A 30 16.614 -4.149 -5.603 1.00 0.00 O ATOM 396 CB ASN A 30 16.903 -4.098 -2.543 1.00 0.00 C ATOM 397 CG ASN A 30 18.233 -4.453 -1.906 1.00 0.00 C ATOM 398 OD1 ASN A 30 19.245 -3.796 -2.149 1.00 0.00 O ATOM 399 ND2 ASN A 30 18.235 -5.498 -1.086 1.00 0.00 N ATOM 0 H ASN A 30 14.941 -2.778 -3.466 1.00 0.00 H new ATOM 0 HA ASN A 30 17.806 -2.271 -3.230 1.00 0.00 H new ATOM 0 HB2 ASN A 30 16.196 -3.811 -1.765 1.00 0.00 H new ATOM 0 HB3 ASN A 30 16.493 -4.979 -3.037 1.00 0.00 H new ATOM 0 HD21 ASN A 30 19.100 -5.785 -0.628 1.00 0.00 H new ATOM 0 HD22 ASN A 30 17.372 -6.013 -0.914 1.00 0.00 H new ATOM 406 N GLU A 31 18.674 -3.291 -5.310 1.00 0.00 N ATOM 407 CA GLU A 31 19.176 -3.774 -6.591 1.00 0.00 C ATOM 408 C GLU A 31 19.691 -5.205 -6.469 1.00 0.00 C ATOM 409 O GLU A 31 19.646 -5.976 -7.427 1.00 0.00 O ATOM 410 CB GLU A 31 20.292 -2.860 -7.104 1.00 0.00 C ATOM 411 CG GLU A 31 19.786 -1.552 -7.688 1.00 0.00 C ATOM 412 CD GLU A 31 19.500 -1.649 -9.174 1.00 0.00 C ATOM 413 OE1 GLU A 31 20.342 -2.212 -9.905 1.00 0.00 O ATOM 414 OE2 GLU A 31 18.434 -1.162 -9.606 1.00 0.00 O ATOM 0 H GLU A 31 19.357 -2.774 -4.757 1.00 0.00 H new ATOM 0 HA GLU A 31 18.351 -3.763 -7.303 1.00 0.00 H new ATOM 0 HB2 GLU A 31 20.977 -2.642 -6.285 1.00 0.00 H new ATOM 0 HB3 GLU A 31 20.864 -3.391 -7.865 1.00 0.00 H new ATOM 0 HG2 GLU A 31 18.877 -1.253 -7.166 1.00 0.00 H new ATOM 0 HG3 GLU A 31 20.526 -0.771 -7.514 1.00 0.00 H new ATOM 421 N SER A 32 20.182 -5.552 -5.284 1.00 0.00 N ATOM 422 CA SER A 32 20.711 -6.888 -5.037 1.00 0.00 C ATOM 423 C SER A 32 19.608 -7.937 -5.145 1.00 0.00 C ATOM 424 O SER A 32 19.858 -9.080 -5.528 1.00 0.00 O ATOM 425 CB SER A 32 21.360 -6.955 -3.653 1.00 0.00 C ATOM 426 OG SER A 32 22.157 -8.119 -3.520 1.00 0.00 O ATOM 0 H SER A 32 20.225 -4.926 -4.480 1.00 0.00 H new ATOM 0 HA SER A 32 21.466 -7.099 -5.795 1.00 0.00 H new ATOM 0 HB2 SER A 32 21.975 -6.069 -3.493 1.00 0.00 H new ATOM 0 HB3 SER A 32 20.587 -6.950 -2.885 1.00 0.00 H new ATOM 0 HG SER A 32 22.562 -8.138 -2.628 1.00 0.00 H new ATOM 432 N SER A 33 18.386 -7.539 -4.804 1.00 0.00 N ATOM 433 CA SER A 33 17.245 -8.444 -4.858 1.00 0.00 C ATOM 434 C SER A 33 16.108 -7.837 -5.675 1.00 0.00 C ATOM 435 O SER A 33 15.976 -6.616 -5.764 1.00 0.00 O ATOM 436 CB SER A 33 16.756 -8.768 -3.445 1.00 0.00 C ATOM 437 OG SER A 33 15.726 -9.741 -3.472 1.00 0.00 O ATOM 0 H SER A 33 18.162 -6.596 -4.488 1.00 0.00 H new ATOM 0 HA SER A 33 17.567 -9.365 -5.344 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.589 -9.132 -2.843 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.390 -7.860 -2.966 1.00 0.00 H new ATOM 0 HG SER A 33 15.652 -10.163 -2.591 1.00 0.00 H new ATOM 443 N ASP A 34 15.290 -8.699 -6.270 1.00 0.00 N ATOM 444 CA ASP A 34 14.163 -8.249 -7.079 1.00 0.00 C ATOM 445 C ASP A 34 12.955 -7.935 -6.202 1.00 0.00 C ATOM 446 O ASP A 34 11.843 -8.381 -6.478 1.00 0.00 O ATOM 447 CB ASP A 34 13.795 -9.313 -8.114 1.00 0.00 C ATOM 448 CG ASP A 34 13.666 -10.694 -7.504 1.00 0.00 C ATOM 449 OD1 ASP A 34 12.562 -11.033 -7.029 1.00 0.00 O ATOM 450 OD2 ASP A 34 14.670 -11.438 -7.503 1.00 0.00 O ATOM 0 H ASP A 34 15.386 -9.713 -6.207 1.00 0.00 H new ATOM 0 HA ASP A 34 14.460 -7.337 -7.596 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.854 -9.041 -8.592 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.555 -9.334 -8.895 1.00 0.00 H new ATOM 455 N ASN A 35 13.183 -7.164 -5.144 1.00 0.00 N ATOM 456 CA ASN A 35 12.114 -6.791 -4.225 1.00 0.00 C ATOM 457 C ASN A 35 12.142 -5.293 -3.936 1.00 0.00 C ATOM 458 O ASN A 35 13.099 -4.601 -4.283 1.00 0.00 O ATOM 459 CB ASN A 35 12.239 -7.577 -2.918 1.00 0.00 C ATOM 460 CG ASN A 35 12.452 -9.060 -3.153 1.00 0.00 C ATOM 461 OD1 ASN A 35 12.010 -9.610 -4.162 1.00 0.00 O ATOM 462 ND2 ASN A 35 13.133 -9.714 -2.219 1.00 0.00 N ATOM 0 H ASN A 35 14.099 -6.785 -4.902 1.00 0.00 H new ATOM 0 HA ASN A 35 11.162 -7.034 -4.697 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.072 -7.181 -2.337 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.338 -7.432 -2.322 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.309 -10.714 -2.322 1.00 0.00 H new ATOM 0 HD22 ASN A 35 13.480 -9.217 -1.399 1.00 0.00 H new ATOM 469 N VAL A 36 11.086 -4.800 -3.297 1.00 0.00 N ATOM 470 CA VAL A 36 10.990 -3.384 -2.960 1.00 0.00 C ATOM 471 C VAL A 36 10.668 -3.193 -1.482 1.00 0.00 C ATOM 472 O VAL A 36 9.689 -3.739 -0.973 1.00 0.00 O ATOM 473 CB VAL A 36 9.912 -2.678 -3.803 1.00 0.00 C ATOM 474 CG1 VAL A 36 9.754 -1.230 -3.365 1.00 0.00 C ATOM 475 CG2 VAL A 36 10.255 -2.761 -5.283 1.00 0.00 C ATOM 0 H VAL A 36 10.285 -5.359 -3.002 1.00 0.00 H new ATOM 0 HA VAL A 36 11.961 -2.940 -3.179 1.00 0.00 H new ATOM 0 HB VAL A 36 8.961 -3.186 -3.644 1.00 0.00 H new ATOM 0 HG11 VAL A 36 8.988 -0.748 -3.972 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.460 -1.197 -2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.701 -0.706 -3.492 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.483 -2.257 -5.864 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.216 -2.279 -5.461 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.312 -3.807 -5.585 1.00 0.00 H new ATOM 485 N ASP A 37 11.499 -2.414 -0.798 1.00 0.00 N ATOM 486 CA ASP A 37 11.303 -2.148 0.623 1.00 0.00 C ATOM 487 C ASP A 37 10.404 -0.933 0.829 1.00 0.00 C ATOM 488 O ASP A 37 10.397 -0.009 0.016 1.00 0.00 O ATOM 489 CB ASP A 37 12.650 -1.924 1.312 1.00 0.00 C ATOM 490 CG ASP A 37 13.579 -3.114 1.168 1.00 0.00 C ATOM 491 OD1 ASP A 37 13.090 -4.210 0.823 1.00 0.00 O ATOM 492 OD2 ASP A 37 14.795 -2.950 1.402 1.00 0.00 O ATOM 0 H ASP A 37 12.315 -1.956 -1.204 1.00 0.00 H new ATOM 0 HA ASP A 37 10.817 -3.017 1.067 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.128 -1.040 0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.484 -1.722 2.370 1.00 0.00 H new ATOM 497 N ILE A 38 9.646 -0.943 1.921 1.00 0.00 N ATOM 498 CA ILE A 38 8.744 0.158 2.234 1.00 0.00 C ATOM 499 C ILE A 38 8.766 0.480 3.724 1.00 0.00 C ATOM 500 O ILE A 38 8.769 -0.419 4.564 1.00 0.00 O ATOM 501 CB ILE A 38 7.298 -0.162 1.811 1.00 0.00 C ATOM 502 CG1 ILE A 38 7.244 -0.510 0.322 1.00 0.00 C ATOM 503 CG2 ILE A 38 6.383 1.014 2.118 1.00 0.00 C ATOM 504 CD1 ILE A 38 7.481 -1.977 0.035 1.00 0.00 C ATOM 0 H ILE A 38 9.639 -1.701 2.603 1.00 0.00 H new ATOM 0 HA ILE A 38 9.096 1.024 1.672 1.00 0.00 H new ATOM 0 HB ILE A 38 6.952 -1.025 2.380 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.270 -0.223 -0.075 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.991 0.081 -0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.365 0.772 1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.402 1.220 3.188 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.726 1.894 1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.428 -2.151 -1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.466 -2.265 0.401 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.719 -2.574 0.537 1.00 0.00 H new ATOM 516 N ARG A 39 8.780 1.770 4.044 1.00 0.00 N ATOM 517 CA ARG A 39 8.801 2.212 5.433 1.00 0.00 C ATOM 518 C ARG A 39 7.938 3.456 5.621 1.00 0.00 C ATOM 519 O ARG A 39 8.085 4.440 4.896 1.00 0.00 O ATOM 520 CB ARG A 39 10.236 2.501 5.877 1.00 0.00 C ATOM 521 CG ARG A 39 10.435 2.427 7.382 1.00 0.00 C ATOM 522 CD ARG A 39 10.090 3.746 8.056 1.00 0.00 C ATOM 523 NE ARG A 39 10.272 3.685 9.503 1.00 0.00 N ATOM 524 CZ ARG A 39 10.348 4.760 10.280 1.00 0.00 C ATOM 525 NH1 ARG A 39 10.259 5.972 9.751 1.00 0.00 N ATOM 526 NH2 ARG A 39 10.514 4.623 11.590 1.00 0.00 N ATOM 0 H ARG A 39 8.777 2.527 3.360 1.00 0.00 H new ATOM 0 HA ARG A 39 8.392 1.411 6.049 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.907 1.790 5.395 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.522 3.494 5.530 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.812 1.633 7.794 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.470 2.165 7.601 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.716 4.538 7.645 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.056 4.008 7.831 1.00 0.00 H new ATOM 0 HE ARG A 39 10.345 2.767 9.942 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.132 6.081 8.745 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.318 6.795 10.350 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.583 3.692 12.001 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.572 5.449 12.186 1.00 0.00 H new ATOM 540 N TRP A 40 7.040 3.405 6.598 1.00 0.00 N ATOM 541 CA TRP A 40 6.153 4.528 6.880 1.00 0.00 C ATOM 542 C TRP A 40 6.040 4.768 8.381 1.00 0.00 C ATOM 543 O TRP A 40 6.561 3.994 9.184 1.00 0.00 O ATOM 544 CB TRP A 40 4.767 4.272 6.286 1.00 0.00 C ATOM 545 CG TRP A 40 4.108 3.039 6.826 1.00 0.00 C ATOM 546 CD1 TRP A 40 3.213 2.972 7.855 1.00 0.00 C ATOM 547 CD2 TRP A 40 4.294 1.696 6.365 1.00 0.00 C ATOM 548 NE1 TRP A 40 2.831 1.668 8.062 1.00 0.00 N ATOM 549 CE2 TRP A 40 3.479 0.867 7.160 1.00 0.00 C ATOM 550 CE3 TRP A 40 5.067 1.115 5.357 1.00 0.00 C ATOM 551 CZ2 TRP A 40 3.419 -0.512 6.978 1.00 0.00 C ATOM 552 CZ3 TRP A 40 5.007 -0.254 5.178 1.00 0.00 C ATOM 553 CH2 TRP A 40 4.187 -1.055 5.984 1.00 0.00 C ATOM 0 H TRP A 40 6.907 2.599 7.208 1.00 0.00 H new ATOM 0 HA TRP A 40 6.578 5.420 6.419 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.129 5.133 6.486 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.854 4.184 5.203 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.857 3.819 8.423 1.00 0.00 H new ATOM 0 HE1 TRP A 40 2.172 1.349 8.772 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.700 1.724 4.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 2.789 -1.131 7.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.602 -0.715 4.404 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.161 -2.122 5.817 1.00 0.00 H new ATOM 564 N MET A 41 5.356 5.845 8.754 1.00 0.00 N ATOM 565 CA MET A 41 5.173 6.184 10.161 1.00 0.00 C ATOM 566 C MET A 41 3.707 6.065 10.563 1.00 0.00 C ATOM 567 O MET A 41 2.819 6.026 9.711 1.00 0.00 O ATOM 568 CB MET A 41 5.676 7.603 10.434 1.00 0.00 C ATOM 569 CG MET A 41 7.147 7.666 10.811 1.00 0.00 C ATOM 570 SD MET A 41 7.445 7.190 12.525 1.00 0.00 S ATOM 571 CE MET A 41 6.829 8.633 13.388 1.00 0.00 C ATOM 0 H MET A 41 4.920 6.497 8.102 1.00 0.00 H new ATOM 0 HA MET A 41 5.752 5.479 10.758 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.510 8.215 9.547 1.00 0.00 H new ATOM 0 HB3 MET A 41 5.085 8.041 11.238 1.00 0.00 H new ATOM 0 HG2 MET A 41 7.716 7.010 10.152 1.00 0.00 H new ATOM 0 HG3 MET A 41 7.517 8.679 10.650 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.207 8.635 14.410 1.00 0.00 H new ATOM 0 HE2 MET A 41 7.165 9.534 12.875 1.00 0.00 H new ATOM 0 HE3 MET A 41 5.739 8.610 13.404 1.00 0.00 H new ATOM 581 N LYS A 42 3.459 6.007 11.867 1.00 0.00 N ATOM 582 CA LYS A 42 2.100 5.893 12.384 1.00 0.00 C ATOM 583 C LYS A 42 1.439 7.264 12.482 1.00 0.00 C ATOM 584 O LYS A 42 2.006 8.216 13.018 1.00 0.00 O ATOM 585 CB LYS A 42 2.110 5.220 13.758 1.00 0.00 C ATOM 586 CG LYS A 42 0.752 4.691 14.186 1.00 0.00 C ATOM 587 CD LYS A 42 0.767 4.217 15.630 1.00 0.00 C ATOM 588 CE LYS A 42 1.505 2.895 15.775 1.00 0.00 C ATOM 589 NZ LYS A 42 1.762 2.557 17.202 1.00 0.00 N ATOM 0 H LYS A 42 4.182 6.037 12.586 1.00 0.00 H new ATOM 0 HA LYS A 42 1.524 5.280 11.691 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.824 4.396 13.745 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.463 5.935 14.501 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.002 5.473 14.067 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.460 3.867 13.535 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.243 4.971 16.257 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.256 4.105 15.988 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.920 2.100 15.313 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.452 2.947 15.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.267 1.649 17.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.342 3.303 17.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.857 2.482 17.709 1.00 0.00 H new ATOM 603 N PRO A 43 0.210 7.368 11.955 1.00 0.00 N ATOM 604 CA PRO A 43 -0.556 8.618 11.974 1.00 0.00 C ATOM 605 C PRO A 43 -1.019 8.994 13.377 1.00 0.00 C ATOM 606 O PRO A 43 -1.055 8.165 14.287 1.00 0.00 O ATOM 607 CB PRO A 43 -1.758 8.311 11.078 1.00 0.00 C ATOM 608 CG PRO A 43 -1.916 6.831 11.149 1.00 0.00 C ATOM 609 CD PRO A 43 -0.527 6.274 11.301 1.00 0.00 C ATOM 0 HA PRO A 43 0.040 9.466 11.636 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.654 8.822 11.429 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.583 8.642 10.054 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.545 6.546 11.992 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.395 6.446 10.249 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.522 5.368 11.907 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.090 6.016 10.336 1.00 0.00 H new ATOM 617 N PRO A 44 -1.384 10.272 13.559 1.00 0.00 N ATOM 618 CA PRO A 44 -1.853 10.785 14.849 1.00 0.00 C ATOM 619 C PRO A 44 -3.225 10.238 15.227 1.00 0.00 C ATOM 620 O PRO A 44 -3.809 10.638 16.234 1.00 0.00 O ATOM 621 CB PRO A 44 -1.923 12.298 14.625 1.00 0.00 C ATOM 622 CG PRO A 44 -2.111 12.454 13.155 1.00 0.00 C ATOM 623 CD PRO A 44 -1.366 11.314 12.519 1.00 0.00 C ATOM 0 HA PRO A 44 -1.196 10.491 15.667 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.749 12.743 15.179 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.011 12.791 14.962 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.168 12.425 12.892 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.724 13.413 12.812 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -1.853 10.977 11.604 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.348 11.598 12.253 1.00 0.00 H new ATOM 735 N LEU A 52 -5.968 2.400 15.006 1.00 0.00 N ATOM 736 CA LEU A 52 -5.581 1.757 13.755 1.00 0.00 C ATOM 737 C LEU A 52 -5.340 0.265 13.961 1.00 0.00 C ATOM 738 O LEU A 52 -4.853 -0.157 15.010 1.00 0.00 O ATOM 739 CB LEU A 52 -4.322 2.415 13.189 1.00 0.00 C ATOM 740 CG LEU A 52 -3.455 1.538 12.284 1.00 0.00 C ATOM 741 CD1 LEU A 52 -2.739 2.387 11.245 1.00 0.00 C ATOM 742 CD2 LEU A 52 -2.453 0.746 13.111 1.00 0.00 C ATOM 0 HA LEU A 52 -6.398 1.879 13.044 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.620 3.300 12.626 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.710 2.759 14.023 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.103 0.834 11.763 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.127 1.746 10.610 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.474 2.909 10.632 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.102 3.115 11.747 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.845 0.128 12.451 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.809 1.434 13.659 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.986 0.108 13.816 1.00 0.00 H new ATOM 754 N VAL A 53 -5.683 -0.529 12.952 1.00 0.00 N ATOM 755 CA VAL A 53 -5.501 -1.974 13.020 1.00 0.00 C ATOM 756 C VAL A 53 -4.446 -2.443 12.025 1.00 0.00 C ATOM 757 O VAL A 53 -3.874 -3.523 12.173 1.00 0.00 O ATOM 758 CB VAL A 53 -6.820 -2.720 12.742 1.00 0.00 C ATOM 759 CG1 VAL A 53 -7.902 -2.270 13.712 1.00 0.00 C ATOM 760 CG2 VAL A 53 -7.260 -2.504 11.302 1.00 0.00 C ATOM 0 H VAL A 53 -6.089 -0.196 12.077 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.169 -2.203 14.033 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.653 -3.787 12.891 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.826 -2.807 13.501 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.585 -2.480 14.734 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.071 -1.199 13.598 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.193 -3.038 11.123 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.411 -1.439 11.123 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.492 -2.880 10.626 1.00 0.00 H new ATOM 770 N GLY A 54 -4.190 -1.622 11.011 1.00 0.00 N ATOM 771 CA GLY A 54 -3.203 -1.970 10.006 1.00 0.00 C ATOM 772 C GLY A 54 -3.091 -0.923 8.916 1.00 0.00 C ATOM 773 O GLY A 54 -3.431 0.242 9.128 1.00 0.00 O ATOM 0 H GLY A 54 -4.649 -0.722 10.868 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.232 -2.098 10.484 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.467 -2.929 9.559 1.00 0.00 H new ATOM 777 N TYR A 55 -2.611 -1.335 7.748 1.00 0.00 N ATOM 778 CA TYR A 55 -2.451 -0.423 6.622 1.00 0.00 C ATOM 779 C TYR A 55 -2.802 -1.112 5.308 1.00 0.00 C ATOM 780 O TYR A 55 -3.042 -2.319 5.272 1.00 0.00 O ATOM 781 CB TYR A 55 -1.016 0.105 6.567 1.00 0.00 C ATOM 782 CG TYR A 55 -0.571 0.784 7.843 1.00 0.00 C ATOM 783 CD1 TYR A 55 -0.242 0.041 8.970 1.00 0.00 C ATOM 784 CD2 TYR A 55 -0.481 2.168 7.922 1.00 0.00 C ATOM 785 CE1 TYR A 55 0.164 0.657 10.138 1.00 0.00 C ATOM 786 CE2 TYR A 55 -0.074 2.792 9.085 1.00 0.00 C ATOM 787 CZ TYR A 55 0.247 2.032 10.190 1.00 0.00 C ATOM 788 OH TYR A 55 0.652 2.650 11.351 1.00 0.00 O ATOM 0 H TYR A 55 -2.326 -2.295 7.556 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.134 0.414 6.765 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.341 -0.723 6.352 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.929 0.810 5.741 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.305 -1.037 8.932 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.734 2.766 7.059 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.415 0.065 11.005 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.008 3.869 9.129 1.00 0.00 H new ATOM 0 HH TYR A 55 1.463 3.172 11.178 1.00 0.00 H new ATOM 798 N ARG A 56 -2.829 -0.337 4.229 1.00 0.00 N ATOM 799 CA ARG A 56 -3.151 -0.871 2.911 1.00 0.00 C ATOM 800 C ARG A 56 -2.131 -0.412 1.874 1.00 0.00 C ATOM 801 O ARG A 56 -2.153 0.738 1.434 1.00 0.00 O ATOM 802 CB ARG A 56 -4.555 -0.435 2.489 1.00 0.00 C ATOM 803 CG ARG A 56 -5.645 -1.412 2.897 1.00 0.00 C ATOM 804 CD ARG A 56 -6.843 -1.331 1.964 1.00 0.00 C ATOM 805 NE ARG A 56 -8.028 -1.964 2.538 1.00 0.00 N ATOM 806 CZ ARG A 56 -8.156 -3.276 2.698 1.00 0.00 C ATOM 807 NH1 ARG A 56 -7.177 -4.091 2.329 1.00 0.00 N ATOM 808 NH2 ARG A 56 -9.265 -3.776 3.228 1.00 0.00 N ATOM 0 H ARG A 56 -2.632 0.664 4.242 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.119 -1.959 2.970 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.770 0.540 2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.577 -0.310 1.406 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.246 -2.426 2.892 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.962 -1.199 3.918 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.061 -0.286 1.744 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.598 -1.812 1.017 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.800 -1.365 2.832 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.323 -3.710 1.921 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.278 -5.098 2.453 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.020 -3.152 3.513 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.362 -4.784 3.350 1.00 0.00 H new ATOM 822 N ILE A 57 -1.237 -1.317 1.489 1.00 0.00 N ATOM 823 CA ILE A 57 -0.210 -1.005 0.503 1.00 0.00 C ATOM 824 C ILE A 57 -0.636 -1.443 -0.894 1.00 0.00 C ATOM 825 O ILE A 57 -0.694 -2.636 -1.190 1.00 0.00 O ATOM 826 CB ILE A 57 1.130 -1.679 0.854 1.00 0.00 C ATOM 827 CG1 ILE A 57 1.514 -1.375 2.304 1.00 0.00 C ATOM 828 CG2 ILE A 57 2.222 -1.213 -0.097 1.00 0.00 C ATOM 829 CD1 ILE A 57 2.555 -2.320 2.863 1.00 0.00 C ATOM 0 H ILE A 57 -1.203 -2.272 1.845 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.078 0.077 0.517 1.00 0.00 H new ATOM 0 HB ILE A 57 1.017 -2.758 0.746 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.891 -0.354 2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.620 -1.423 2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.163 -1.698 0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.950 -1.475 -1.120 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.337 -0.132 -0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.779 -2.046 3.894 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.173 -3.340 2.834 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.464 -2.255 2.265 1.00 0.00 H new ATOM 841 N SER A 58 -0.933 -0.469 -1.748 1.00 0.00 N ATOM 842 CA SER A 58 -1.356 -0.754 -3.115 1.00 0.00 C ATOM 843 C SER A 58 -0.224 -0.487 -4.101 1.00 0.00 C ATOM 844 O SER A 58 0.162 0.661 -4.324 1.00 0.00 O ATOM 845 CB SER A 58 -2.577 0.092 -3.480 1.00 0.00 C ATOM 846 OG SER A 58 -3.041 -0.218 -4.782 1.00 0.00 O ATOM 0 H SER A 58 -0.889 0.524 -1.518 1.00 0.00 H new ATOM 0 HA SER A 58 -1.623 -1.809 -3.174 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.373 -0.081 -2.756 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.320 1.150 -3.424 1.00 0.00 H new ATOM 0 HG SER A 58 -3.823 0.335 -4.991 1.00 0.00 H new ATOM 852 N HIS A 59 0.305 -1.555 -4.689 1.00 0.00 N ATOM 853 CA HIS A 59 1.394 -1.437 -5.653 1.00 0.00 C ATOM 854 C HIS A 59 0.935 -1.859 -7.045 1.00 0.00 C ATOM 855 O HIS A 59 0.705 -3.041 -7.303 1.00 0.00 O ATOM 856 CB HIS A 59 2.585 -2.290 -5.216 1.00 0.00 C ATOM 857 CG HIS A 59 2.200 -3.654 -4.734 1.00 0.00 C ATOM 858 ND1 HIS A 59 1.473 -4.042 -3.661 1.00 0.00 N flip ATOM 859 CD2 HIS A 59 2.572 -4.814 -5.382 1.00 0.00 C flip ATOM 860 CE1 HIS A 59 1.418 -5.414 -3.680 1.00 0.00 C flip ATOM 861 NE2 HIS A 59 2.089 -5.855 -4.728 1.00 0.00 N flip ATOM 0 H HIS A 59 -0.002 -2.512 -4.515 1.00 0.00 H new ATOM 0 HA HIS A 59 1.700 -0.392 -5.692 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.276 -2.391 -6.053 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.121 -1.771 -4.422 1.00 0.00 H new ATOM 0 HD1 HIS A 59 1.045 -3.429 -2.967 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.165 -4.863 -6.283 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.909 -6.032 -2.955 1.00 0.00 H new ATOM 870 N VAL A 60 0.802 -0.885 -7.940 1.00 0.00 N ATOM 871 CA VAL A 60 0.371 -1.155 -9.306 1.00 0.00 C ATOM 872 C VAL A 60 1.560 -1.205 -10.259 1.00 0.00 C ATOM 873 O VAL A 60 2.593 -0.583 -10.010 1.00 0.00 O ATOM 874 CB VAL A 60 -0.625 -0.090 -9.802 1.00 0.00 C ATOM 875 CG1 VAL A 60 0.016 1.289 -9.786 1.00 0.00 C ATOM 876 CG2 VAL A 60 -1.127 -0.437 -11.195 1.00 0.00 C ATOM 0 H VAL A 60 0.987 0.099 -7.743 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.123 -2.127 -9.295 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.480 -0.075 -9.126 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.703 2.028 -10.140 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.321 1.537 -8.769 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.890 1.292 -10.438 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.830 0.326 -11.529 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.284 -0.481 -11.885 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.627 -1.405 -11.171 1.00 0.00 H new ATOM 886 N TRP A 61 1.407 -1.948 -11.349 1.00 0.00 N ATOM 887 CA TRP A 61 2.470 -2.078 -12.340 1.00 0.00 C ATOM 888 C TRP A 61 1.961 -1.727 -13.733 1.00 0.00 C ATOM 889 O TRP A 61 1.059 -2.381 -14.257 1.00 0.00 O ATOM 890 CB TRP A 61 3.030 -3.501 -12.332 1.00 0.00 C ATOM 891 CG TRP A 61 3.545 -3.930 -10.991 1.00 0.00 C ATOM 892 CD1 TRP A 61 2.805 -4.367 -9.930 1.00 0.00 C ATOM 893 CD2 TRP A 61 4.913 -3.959 -10.568 1.00 0.00 C ATOM 894 NE1 TRP A 61 3.630 -4.667 -8.873 1.00 0.00 N ATOM 895 CE2 TRP A 61 4.928 -4.426 -9.239 1.00 0.00 C ATOM 896 CE3 TRP A 61 6.126 -3.639 -11.183 1.00 0.00 C ATOM 897 CZ2 TRP A 61 6.108 -4.578 -8.517 1.00 0.00 C ATOM 898 CZ3 TRP A 61 7.297 -3.790 -10.465 1.00 0.00 C ATOM 899 CH2 TRP A 61 7.282 -4.256 -9.144 1.00 0.00 C ATOM 0 H TRP A 61 0.558 -2.469 -11.569 1.00 0.00 H new ATOM 0 HA TRP A 61 3.265 -1.380 -12.078 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.250 -4.192 -12.652 1.00 0.00 H new ATOM 0 HB3 TRP A 61 3.836 -3.570 -13.062 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.729 -4.463 -9.923 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.325 -5.013 -7.963 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.148 -3.280 -12.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 6.098 -4.937 -7.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 8.240 -3.544 -10.930 1.00 0.00 H new ATOM 0 HH2 TRP A 61 8.214 -4.363 -8.610 1.00 0.00 H new ATOM 910 N GLN A 62 2.543 -0.691 -14.328 1.00 0.00 N ATOM 911 CA GLN A 62 2.147 -0.253 -15.661 1.00 0.00 C ATOM 912 C GLN A 62 3.323 -0.324 -16.629 1.00 0.00 C ATOM 913 O GLN A 62 4.302 0.409 -16.486 1.00 0.00 O ATOM 914 CB GLN A 62 1.597 1.174 -15.610 1.00 0.00 C ATOM 915 CG GLN A 62 0.104 1.241 -15.335 1.00 0.00 C ATOM 916 CD GLN A 62 -0.541 2.485 -15.915 1.00 0.00 C ATOM 917 OE1 GLN A 62 -0.127 3.607 -15.621 1.00 0.00 O ATOM 918 NE2 GLN A 62 -1.561 2.292 -16.743 1.00 0.00 N ATOM 0 H GLN A 62 3.291 -0.139 -13.908 1.00 0.00 H new ATOM 0 HA GLN A 62 1.365 -0.923 -16.019 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.126 1.731 -14.836 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.806 1.669 -16.558 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.379 0.358 -15.753 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.065 1.217 -14.258 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.871 1.344 -16.959 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.035 3.091 -17.164 1.00 0.00 H new ATOM 927 N SER A 63 3.219 -1.210 -17.614 1.00 0.00 N ATOM 928 CA SER A 63 4.277 -1.379 -18.604 1.00 0.00 C ATOM 929 C SER A 63 3.719 -1.263 -20.020 1.00 0.00 C ATOM 930 O SER A 63 2.516 -1.403 -20.238 1.00 0.00 O ATOM 931 CB SER A 63 4.961 -2.736 -18.423 1.00 0.00 C ATOM 932 OG SER A 63 5.444 -3.232 -19.660 1.00 0.00 O ATOM 0 H SER A 63 2.414 -1.822 -17.748 1.00 0.00 H new ATOM 0 HA SER A 63 5.011 -0.587 -18.455 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.787 -2.639 -17.719 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.256 -3.448 -17.992 1.00 0.00 H new ATOM 0 HG SER A 63 5.878 -4.099 -19.518 1.00 0.00 H new ATOM 938 N ALA A 64 4.604 -1.006 -20.978 1.00 0.00 N ATOM 939 CA ALA A 64 4.202 -0.873 -22.372 1.00 0.00 C ATOM 940 C ALA A 64 3.610 -2.175 -22.900 1.00 0.00 C ATOM 941 O ALA A 64 4.328 -3.148 -23.128 1.00 0.00 O ATOM 942 CB ALA A 64 5.388 -0.446 -23.225 1.00 0.00 C ATOM 0 H ALA A 64 5.603 -0.886 -20.814 1.00 0.00 H new ATOM 0 HA ALA A 64 3.431 -0.105 -22.430 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.073 -0.351 -24.264 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.765 0.513 -22.870 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.177 -1.195 -23.152 1.00 0.00 H new ATOM 948 N GLY A 65 2.294 -2.187 -23.092 1.00 0.00 N ATOM 949 CA GLY A 65 1.627 -3.375 -23.590 1.00 0.00 C ATOM 950 C GLY A 65 1.081 -4.245 -22.475 1.00 0.00 C ATOM 951 O GLY A 65 0.168 -5.042 -22.691 1.00 0.00 O ATOM 0 H GLY A 65 1.678 -1.394 -22.911 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.811 -3.080 -24.249 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.327 -3.956 -24.190 1.00 0.00 H new ATOM 955 N ILE A 66 1.642 -4.093 -21.280 1.00 0.00 N ATOM 956 CA ILE A 66 1.206 -4.871 -20.127 1.00 0.00 C ATOM 957 C ILE A 66 0.911 -3.969 -18.934 1.00 0.00 C ATOM 958 O ILE A 66 1.804 -3.304 -18.410 1.00 0.00 O ATOM 959 CB ILE A 66 2.264 -5.913 -19.719 1.00 0.00 C ATOM 960 CG1 ILE A 66 2.276 -7.076 -20.713 1.00 0.00 C ATOM 961 CG2 ILE A 66 1.994 -6.418 -18.309 1.00 0.00 C ATOM 962 CD1 ILE A 66 0.922 -7.724 -20.903 1.00 0.00 C ATOM 0 H ILE A 66 2.399 -3.438 -21.085 1.00 0.00 H new ATOM 0 HA ILE A 66 0.293 -5.388 -20.422 1.00 0.00 H new ATOM 0 HB ILE A 66 3.245 -5.437 -19.733 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.636 -6.716 -21.677 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.985 -7.829 -20.370 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.750 -7.154 -18.035 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.031 -5.582 -17.610 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.008 -6.880 -18.271 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.007 -8.540 -21.621 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.569 -8.115 -19.949 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.214 -6.984 -21.276 1.00 0.00 H new ATOM 974 N SER A 67 -0.349 -3.952 -18.509 1.00 0.00 N ATOM 975 CA SER A 67 -0.763 -3.129 -17.379 1.00 0.00 C ATOM 976 C SER A 67 -1.470 -3.974 -16.323 1.00 0.00 C ATOM 977 O SER A 67 -2.613 -4.392 -16.507 1.00 0.00 O ATOM 978 CB SER A 67 -1.687 -2.005 -17.851 1.00 0.00 C ATOM 979 OG SER A 67 -2.931 -2.518 -18.293 1.00 0.00 O ATOM 0 H SER A 67 -1.100 -4.499 -18.930 1.00 0.00 H new ATOM 0 HA SER A 67 0.130 -2.692 -16.932 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.850 -1.299 -17.037 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.209 -1.454 -18.661 1.00 0.00 H new ATOM 0 HG SER A 67 -3.072 -3.409 -17.911 1.00 0.00 H new ATOM 985 N LYS A 68 -0.780 -4.222 -15.214 1.00 0.00 N ATOM 986 CA LYS A 68 -1.339 -5.015 -14.126 1.00 0.00 C ATOM 987 C LYS A 68 -1.420 -4.197 -12.842 1.00 0.00 C ATOM 988 O LYS A 68 -0.719 -3.197 -12.688 1.00 0.00 O ATOM 989 CB LYS A 68 -0.492 -6.268 -13.893 1.00 0.00 C ATOM 990 CG LYS A 68 -0.125 -7.000 -15.172 1.00 0.00 C ATOM 991 CD LYS A 68 0.477 -8.365 -14.880 1.00 0.00 C ATOM 992 CE LYS A 68 -0.593 -9.443 -14.814 1.00 0.00 C ATOM 993 NZ LYS A 68 -1.359 -9.387 -13.538 1.00 0.00 N ATOM 0 H LYS A 68 0.168 -3.885 -15.046 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.348 -5.314 -14.409 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.422 -5.986 -13.370 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.037 -6.948 -13.238 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.013 -7.118 -15.792 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.586 -6.403 -15.743 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.202 -8.617 -15.654 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.019 -8.330 -13.935 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.278 -9.327 -15.654 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.128 -10.423 -14.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.742 -10.329 -13.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.729 -9.084 -12.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.142 -8.709 -13.632 1.00 0.00 H new ATOM 1007 N GLU A 69 -2.277 -4.629 -11.922 1.00 0.00 N ATOM 1008 CA GLU A 69 -2.446 -3.935 -10.651 1.00 0.00 C ATOM 1009 C GLU A 69 -2.420 -4.921 -9.486 1.00 0.00 C ATOM 1010 O GLU A 69 -3.187 -5.884 -9.455 1.00 0.00 O ATOM 1011 CB GLU A 69 -3.762 -3.154 -10.642 1.00 0.00 C ATOM 1012 CG GLU A 69 -3.748 -1.949 -9.716 1.00 0.00 C ATOM 1013 CD GLU A 69 -4.713 -0.865 -10.155 1.00 0.00 C ATOM 1014 OE1 GLU A 69 -5.769 -1.208 -10.727 1.00 0.00 O ATOM 1015 OE2 GLU A 69 -4.413 0.325 -9.927 1.00 0.00 O ATOM 0 H GLU A 69 -2.864 -5.455 -12.033 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.617 -3.237 -10.534 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.984 -2.820 -11.656 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.569 -3.822 -10.343 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.002 -2.269 -8.705 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.739 -1.538 -9.676 1.00 0.00 H new ATOM 1022 N LEU A 70 -1.533 -4.672 -8.529 1.00 0.00 N ATOM 1023 CA LEU A 70 -1.405 -5.537 -7.361 1.00 0.00 C ATOM 1024 C LEU A 70 -1.870 -4.819 -6.098 1.00 0.00 C ATOM 1025 O LEU A 70 -1.933 -3.589 -6.058 1.00 0.00 O ATOM 1026 CB LEU A 70 0.046 -5.994 -7.196 1.00 0.00 C ATOM 1027 CG LEU A 70 0.423 -7.297 -7.903 1.00 0.00 C ATOM 1028 CD1 LEU A 70 0.902 -7.016 -9.319 1.00 0.00 C ATOM 1029 CD2 LEU A 70 1.490 -8.042 -7.115 1.00 0.00 C ATOM 0 H LEU A 70 -0.892 -3.879 -8.539 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.039 -6.410 -7.515 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.699 -5.202 -7.563 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.251 -6.109 -6.132 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.464 -7.927 -7.960 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.166 -7.954 -9.807 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.107 -6.526 -9.881 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.777 -6.366 -9.285 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.746 -8.966 -7.633 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.379 -7.418 -7.026 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.111 -8.276 -6.120 1.00 0.00 H new ATOM 1041 N LEU A 71 -2.192 -5.593 -5.068 1.00 0.00 N ATOM 1042 CA LEU A 71 -2.649 -5.031 -3.802 1.00 0.00 C ATOM 1043 C LEU A 71 -2.167 -5.875 -2.626 1.00 0.00 C ATOM 1044 O LEU A 71 -2.507 -7.052 -2.515 1.00 0.00 O ATOM 1045 CB LEU A 71 -4.176 -4.936 -3.785 1.00 0.00 C ATOM 1046 CG LEU A 71 -4.770 -3.820 -2.924 1.00 0.00 C ATOM 1047 CD1 LEU A 71 -4.015 -3.702 -1.609 1.00 0.00 C ATOM 1048 CD2 LEU A 71 -4.746 -2.498 -3.676 1.00 0.00 C ATOM 0 H LEU A 71 -2.145 -6.612 -5.084 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.228 -4.030 -3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.523 -4.801 -4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.575 -5.888 -3.436 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.807 -4.070 -2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.451 -2.903 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.084 -4.644 -1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.968 -3.475 -1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.172 -1.715 -3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.717 -2.241 -3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.332 -2.589 -4.591 1.00 0.00 H new ATOM 1060 N GLU A 72 -1.376 -5.263 -1.750 1.00 0.00 N ATOM 1061 CA GLU A 72 -0.849 -5.959 -0.582 1.00 0.00 C ATOM 1062 C GLU A 72 -1.688 -5.655 0.656 1.00 0.00 C ATOM 1063 O GLU A 72 -2.423 -4.670 0.693 1.00 0.00 O ATOM 1064 CB GLU A 72 0.607 -5.558 -0.336 1.00 0.00 C ATOM 1065 CG GLU A 72 1.433 -6.645 0.331 1.00 0.00 C ATOM 1066 CD GLU A 72 1.514 -7.910 -0.500 1.00 0.00 C ATOM 1067 OE1 GLU A 72 1.800 -7.806 -1.712 1.00 0.00 O ATOM 1068 OE2 GLU A 72 1.291 -9.004 0.059 1.00 0.00 O ATOM 0 H GLU A 72 -1.086 -4.288 -1.827 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.895 -7.030 -0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.068 -5.295 -1.288 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.629 -4.663 0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.440 -6.270 0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.999 -6.881 1.303 1.00 0.00 H new ATOM 1075 N GLU A 73 -1.571 -6.511 1.667 1.00 0.00 N ATOM 1076 CA GLU A 73 -2.320 -6.335 2.906 1.00 0.00 C ATOM 1077 C GLU A 73 -1.420 -6.544 4.120 1.00 0.00 C ATOM 1078 O GLU A 73 -0.796 -7.595 4.270 1.00 0.00 O ATOM 1079 CB GLU A 73 -3.499 -7.308 2.958 1.00 0.00 C ATOM 1080 CG GLU A 73 -4.424 -7.209 1.756 1.00 0.00 C ATOM 1081 CD GLU A 73 -3.761 -7.667 0.471 1.00 0.00 C ATOM 1082 OE1 GLU A 73 -2.887 -8.556 0.539 1.00 0.00 O ATOM 1083 OE2 GLU A 73 -4.116 -7.136 -0.602 1.00 0.00 O ATOM 0 H GLU A 73 -0.966 -7.332 1.652 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.700 -5.314 2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.116 -8.326 3.028 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.074 -7.121 3.865 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.314 -7.812 1.936 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.756 -6.177 1.642 1.00 0.00 H new ATOM 1090 N VAL A 74 -1.357 -5.536 4.984 1.00 0.00 N ATOM 1091 CA VAL A 74 -0.534 -5.608 6.185 1.00 0.00 C ATOM 1092 C VAL A 74 -1.331 -5.210 7.422 1.00 0.00 C ATOM 1093 O VAL A 74 -2.318 -4.482 7.330 1.00 0.00 O ATOM 1094 CB VAL A 74 0.705 -4.700 6.072 1.00 0.00 C ATOM 1095 CG1 VAL A 74 1.853 -5.444 5.407 1.00 0.00 C ATOM 1096 CG2 VAL A 74 0.366 -3.430 5.307 1.00 0.00 C ATOM 0 H VAL A 74 -1.867 -4.659 4.874 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.208 -6.644 6.284 1.00 0.00 H new ATOM 0 HB VAL A 74 1.021 -4.418 7.076 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.720 -4.787 5.336 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.111 -6.321 6.001 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.553 -5.758 4.407 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.253 -2.800 5.237 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.024 -3.689 4.305 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.422 -2.889 5.831 1.00 0.00 H new ATOM 1106 N GLY A 75 -0.895 -5.694 8.582 1.00 0.00 N ATOM 1107 CA GLY A 75 -1.579 -5.378 9.822 1.00 0.00 C ATOM 1108 C GLY A 75 -0.904 -4.257 10.587 1.00 0.00 C ATOM 1109 O GLY A 75 0.024 -3.625 10.083 1.00 0.00 O ATOM 0 H GLY A 75 -0.080 -6.299 8.684 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.609 -5.096 9.604 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.619 -6.269 10.449 1.00 0.00 H new ATOM 1113 N GLN A 76 -1.372 -4.009 11.806 1.00 0.00 N ATOM 1114 CA GLN A 76 -0.808 -2.955 12.640 1.00 0.00 C ATOM 1115 C GLN A 76 0.639 -3.266 13.007 1.00 0.00 C ATOM 1116 O GLN A 76 1.405 -2.372 13.365 1.00 0.00 O ATOM 1117 CB GLN A 76 -1.642 -2.779 13.911 1.00 0.00 C ATOM 1118 CG GLN A 76 -1.791 -4.056 14.722 1.00 0.00 C ATOM 1119 CD GLN A 76 -2.205 -3.792 16.156 1.00 0.00 C ATOM 1120 OE1 GLN A 76 -1.373 -3.478 17.007 1.00 0.00 O ATOM 1121 NE2 GLN A 76 -3.498 -3.917 16.431 1.00 0.00 N ATOM 0 H GLN A 76 -2.140 -4.523 12.238 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.827 -2.026 12.069 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.181 -2.014 14.535 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.632 -2.414 13.638 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.532 -4.699 14.247 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.846 -4.599 14.715 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.153 -4.179 15.694 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.836 -3.751 17.379 1.00 0.00 H new ATOM 1130 N ASN A 77 1.006 -4.540 12.917 1.00 0.00 N ATOM 1131 CA ASN A 77 2.362 -4.970 13.240 1.00 0.00 C ATOM 1132 C ASN A 77 3.197 -5.134 11.974 1.00 0.00 C ATOM 1133 O ASN A 77 3.720 -6.213 11.698 1.00 0.00 O ATOM 1134 CB ASN A 77 2.330 -6.287 14.018 1.00 0.00 C ATOM 1135 CG ASN A 77 1.248 -7.226 13.520 1.00 0.00 C ATOM 1136 OD1 ASN A 77 0.407 -7.687 14.292 1.00 0.00 O ATOM 1137 ND2 ASN A 77 1.265 -7.514 12.224 1.00 0.00 N ATOM 0 H ASN A 77 0.384 -5.293 12.623 1.00 0.00 H new ATOM 0 HA ASN A 77 2.822 -4.201 13.860 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.300 -6.778 13.936 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.167 -6.078 15.075 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.562 -8.140 11.831 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.981 -7.109 11.621 1.00 0.00 H new ATOM 1144 N GLY A 78 3.318 -4.055 11.207 1.00 0.00 N ATOM 1145 CA GLY A 78 4.091 -4.100 9.979 1.00 0.00 C ATOM 1146 C GLY A 78 4.721 -2.763 9.642 1.00 0.00 C ATOM 1147 O GLY A 78 4.521 -2.233 8.549 1.00 0.00 O ATOM 0 H GLY A 78 2.895 -3.150 11.414 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.873 -4.853 10.073 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.445 -4.411 9.158 1.00 0.00 H new ATOM 1151 N SER A 79 5.485 -2.216 10.583 1.00 0.00 N ATOM 1152 CA SER A 79 6.142 -0.930 10.382 1.00 0.00 C ATOM 1153 C SER A 79 6.646 -0.796 8.948 1.00 0.00 C ATOM 1154 O SER A 79 6.529 0.265 8.334 1.00 0.00 O ATOM 1155 CB SER A 79 7.307 -0.771 11.361 1.00 0.00 C ATOM 1156 OG SER A 79 6.846 -0.388 12.645 1.00 0.00 O ATOM 0 H SER A 79 5.664 -2.644 11.492 1.00 0.00 H new ATOM 0 HA SER A 79 5.411 -0.143 10.567 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.856 -1.710 11.433 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.004 -0.023 10.983 1.00 0.00 H new ATOM 0 HG SER A 79 7.609 -0.295 13.252 1.00 0.00 H new ATOM 1162 N ARG A 80 7.206 -1.879 8.420 1.00 0.00 N ATOM 1163 CA ARG A 80 7.729 -1.883 7.060 1.00 0.00 C ATOM 1164 C ARG A 80 7.069 -2.978 6.227 1.00 0.00 C ATOM 1165 O ARG A 80 6.345 -3.822 6.754 1.00 0.00 O ATOM 1166 CB ARG A 80 9.246 -2.083 7.074 1.00 0.00 C ATOM 1167 CG ARG A 80 9.667 -3.536 7.218 1.00 0.00 C ATOM 1168 CD ARG A 80 11.181 -3.681 7.203 1.00 0.00 C ATOM 1169 NE ARG A 80 11.714 -3.716 5.844 1.00 0.00 N ATOM 1170 CZ ARG A 80 13.008 -3.823 5.564 1.00 0.00 C ATOM 1171 NH1 ARG A 80 13.897 -3.907 6.545 1.00 0.00 N ATOM 1172 NH2 ARG A 80 13.416 -3.848 4.302 1.00 0.00 N ATOM 0 H ARG A 80 7.309 -2.765 8.914 1.00 0.00 H new ATOM 0 HA ARG A 80 7.501 -0.918 6.607 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.665 -1.682 6.151 1.00 0.00 H new ATOM 0 HB3 ARG A 80 9.672 -1.507 7.895 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.271 -3.940 8.150 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.236 -4.123 6.407 1.00 0.00 H new ATOM 0 HD2 ARG A 80 11.630 -2.850 7.747 1.00 0.00 H new ATOM 0 HD3 ARG A 80 11.463 -4.595 7.727 1.00 0.00 H new ATOM 0 HE ARG A 80 11.056 -3.655 5.067 1.00 0.00 H new ATOM 0 HH11 ARG A 80 13.587 -3.890 7.517 1.00 0.00 H new ATOM 0 HH12 ARG A 80 14.890 -3.989 6.328 1.00 0.00 H new ATOM 0 HH21 ARG A 80 12.736 -3.785 3.545 1.00 0.00 H new ATOM 0 HH22 ARG A 80 14.410 -3.930 4.089 1.00 0.00 H new ATOM 1186 N ALA A 81 7.324 -2.957 4.923 1.00 0.00 N ATOM 1187 CA ALA A 81 6.756 -3.949 4.017 1.00 0.00 C ATOM 1188 C ALA A 81 7.707 -4.246 2.863 1.00 0.00 C ATOM 1189 O ALA A 81 8.617 -3.467 2.579 1.00 0.00 O ATOM 1190 CB ALA A 81 5.413 -3.470 3.487 1.00 0.00 C ATOM 0 H ALA A 81 7.920 -2.264 4.470 1.00 0.00 H new ATOM 0 HA ALA A 81 6.606 -4.873 4.576 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.000 -4.220 2.812 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.727 -3.315 4.320 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.548 -2.532 2.949 1.00 0.00 H new ATOM 1196 N ARG A 82 7.491 -5.379 2.201 1.00 0.00 N ATOM 1197 CA ARG A 82 8.331 -5.780 1.079 1.00 0.00 C ATOM 1198 C ARG A 82 7.494 -6.419 -0.025 1.00 0.00 C ATOM 1199 O ARG A 82 6.511 -7.108 0.248 1.00 0.00 O ATOM 1200 CB ARG A 82 9.410 -6.758 1.546 1.00 0.00 C ATOM 1201 CG ARG A 82 10.654 -6.756 0.672 1.00 0.00 C ATOM 1202 CD ARG A 82 11.838 -7.387 1.387 1.00 0.00 C ATOM 1203 NE ARG A 82 13.114 -6.924 0.846 1.00 0.00 N ATOM 1204 CZ ARG A 82 14.291 -7.412 1.221 1.00 0.00 C ATOM 1205 NH1 ARG A 82 14.355 -8.372 2.134 1.00 0.00 N ATOM 1206 NH2 ARG A 82 15.408 -6.939 0.683 1.00 0.00 N ATOM 0 H ARG A 82 6.742 -6.035 2.423 1.00 0.00 H new ATOM 0 HA ARG A 82 8.809 -4.886 0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.695 -6.511 2.569 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.992 -7.764 1.566 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.453 -7.300 -0.251 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.901 -5.732 0.391 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.788 -7.151 2.450 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.779 -8.472 1.299 1.00 0.00 H new ATOM 0 HE ARG A 82 13.100 -6.186 0.142 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.499 -8.738 2.550 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.261 -8.745 2.420 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.363 -6.200 -0.019 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.312 -7.314 0.971 1.00 0.00 H new ATOM 1220 N ILE A 83 7.890 -6.185 -1.271 1.00 0.00 N ATOM 1221 CA ILE A 83 7.176 -6.738 -2.416 1.00 0.00 C ATOM 1222 C ILE A 83 8.145 -7.329 -3.434 1.00 0.00 C ATOM 1223 O ILE A 83 9.180 -6.736 -3.739 1.00 0.00 O ATOM 1224 CB ILE A 83 6.310 -5.669 -3.109 1.00 0.00 C ATOM 1225 CG1 ILE A 83 5.836 -4.628 -2.093 1.00 0.00 C ATOM 1226 CG2 ILE A 83 5.122 -6.319 -3.802 1.00 0.00 C ATOM 1227 CD1 ILE A 83 5.206 -3.408 -2.727 1.00 0.00 C ATOM 0 H ILE A 83 8.701 -5.616 -1.514 1.00 0.00 H new ATOM 0 HA ILE A 83 6.528 -7.527 -2.034 1.00 0.00 H new ATOM 0 HB ILE A 83 6.915 -5.165 -3.862 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.114 -5.091 -1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.684 -4.314 -1.484 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.519 -5.551 -4.287 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.480 -7.026 -4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.515 -6.846 -3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.894 -2.713 -1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.932 -2.921 -3.378 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.338 -3.710 -3.313 1.00 0.00 H new ATOM 1239 N SER A 84 7.801 -8.501 -3.959 1.00 0.00 N ATOM 1240 CA SER A 84 8.642 -9.174 -4.942 1.00 0.00 C ATOM 1241 C SER A 84 8.359 -8.652 -6.347 1.00 0.00 C ATOM 1242 O SER A 84 7.365 -9.023 -6.972 1.00 0.00 O ATOM 1243 CB SER A 84 8.411 -10.686 -4.892 1.00 0.00 C ATOM 1244 OG SER A 84 8.485 -11.169 -3.562 1.00 0.00 O ATOM 0 H SER A 84 6.946 -9.004 -3.720 1.00 0.00 H new ATOM 0 HA SER A 84 9.683 -8.964 -4.698 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.434 -10.922 -5.314 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.155 -11.191 -5.508 1.00 0.00 H new ATOM 0 HG SER A 84 8.332 -12.137 -3.557 1.00 0.00 H new ATOM 1250 N VAL A 85 9.241 -7.787 -6.838 1.00 0.00 N ATOM 1251 CA VAL A 85 9.088 -7.212 -8.170 1.00 0.00 C ATOM 1252 C VAL A 85 8.435 -8.205 -9.125 1.00 0.00 C ATOM 1253 O VAL A 85 9.037 -9.212 -9.495 1.00 0.00 O ATOM 1254 CB VAL A 85 10.446 -6.775 -8.751 1.00 0.00 C ATOM 1255 CG1 VAL A 85 10.289 -6.328 -10.197 1.00 0.00 C ATOM 1256 CG2 VAL A 85 11.055 -5.667 -7.905 1.00 0.00 C ATOM 0 H VAL A 85 10.069 -7.469 -6.334 1.00 0.00 H new ATOM 0 HA VAL A 85 8.447 -6.337 -8.066 1.00 0.00 H new ATOM 0 HB VAL A 85 11.122 -7.630 -8.731 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.258 -6.023 -10.591 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.899 -7.153 -10.793 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.597 -5.487 -10.245 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.014 -5.370 -8.330 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.383 -4.809 -7.891 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.205 -6.027 -6.887 1.00 0.00 H new ATOM 1266 N GLN A 86 7.200 -7.913 -9.520 1.00 0.00 N ATOM 1267 CA GLN A 86 6.465 -8.780 -10.432 1.00 0.00 C ATOM 1268 C GLN A 86 6.773 -8.430 -11.884 1.00 0.00 C ATOM 1269 O GLN A 86 6.891 -9.311 -12.735 1.00 0.00 O ATOM 1270 CB GLN A 86 4.961 -8.668 -10.176 1.00 0.00 C ATOM 1271 CG GLN A 86 4.567 -8.948 -8.735 1.00 0.00 C ATOM 1272 CD GLN A 86 4.478 -10.431 -8.432 1.00 0.00 C ATOM 1273 OE1 GLN A 86 4.583 -11.267 -9.330 1.00 0.00 O ATOM 1274 NE2 GLN A 86 4.285 -10.765 -7.161 1.00 0.00 N ATOM 0 H GLN A 86 6.688 -7.083 -9.223 1.00 0.00 H new ATOM 0 HA GLN A 86 6.782 -9.807 -10.250 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.628 -7.666 -10.447 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.437 -9.365 -10.829 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.295 -8.488 -8.067 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.604 -8.480 -8.528 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.204 -10.039 -6.450 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.218 -11.748 -6.896 1.00 0.00 H new ATOM 1283 N VAL A 87 6.902 -7.136 -12.161 1.00 0.00 N ATOM 1284 CA VAL A 87 7.197 -6.668 -13.510 1.00 0.00 C ATOM 1285 C VAL A 87 8.413 -5.749 -13.519 1.00 0.00 C ATOM 1286 O VAL A 87 8.560 -4.887 -12.651 1.00 0.00 O ATOM 1287 CB VAL A 87 5.996 -5.920 -14.119 1.00 0.00 C ATOM 1288 CG1 VAL A 87 6.441 -5.067 -15.297 1.00 0.00 C ATOM 1289 CG2 VAL A 87 4.915 -6.903 -14.541 1.00 0.00 C ATOM 0 H VAL A 87 6.807 -6.393 -11.469 1.00 0.00 H new ATOM 0 HA VAL A 87 7.409 -7.551 -14.113 1.00 0.00 H new ATOM 0 HB VAL A 87 5.578 -5.259 -13.359 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.580 -4.546 -15.715 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.178 -4.338 -14.960 1.00 0.00 H new ATOM 0 HG13 VAL A 87 6.885 -5.705 -16.061 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.074 -6.357 -14.969 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.318 -7.590 -15.285 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.577 -7.467 -13.672 1.00 0.00 H new ATOM 1299 N HIS A 88 9.283 -5.937 -14.506 1.00 0.00 N ATOM 1300 CA HIS A 88 10.487 -5.123 -14.629 1.00 0.00 C ATOM 1301 C HIS A 88 10.363 -4.143 -15.792 1.00 0.00 C ATOM 1302 O HIS A 88 9.608 -4.375 -16.734 1.00 0.00 O ATOM 1303 CB HIS A 88 11.713 -6.015 -14.828 1.00 0.00 C ATOM 1304 CG HIS A 88 12.361 -6.436 -13.545 1.00 0.00 C ATOM 1305 ND1 HIS A 88 12.423 -7.748 -13.127 1.00 0.00 N ATOM 1306 CD2 HIS A 88 12.981 -5.708 -12.586 1.00 0.00 C ATOM 1307 CE1 HIS A 88 13.051 -7.810 -11.966 1.00 0.00 C ATOM 1308 NE2 HIS A 88 13.400 -6.585 -11.616 1.00 0.00 N ATOM 0 H HIS A 88 9.177 -6.646 -15.232 1.00 0.00 H new ATOM 0 HA HIS A 88 10.607 -4.554 -13.707 1.00 0.00 H new ATOM 0 HB2 HIS A 88 11.419 -6.904 -15.386 1.00 0.00 H new ATOM 0 HB3 HIS A 88 12.444 -5.484 -15.438 1.00 0.00 H new ATOM 0 HD2 HIS A 88 13.120 -4.637 -12.584 1.00 0.00 H new ATOM 0 HE1 HIS A 88 13.246 -8.709 -11.400 1.00 0.00 H new ATOM 0 HE2 HIS A 88 13.900 -6.332 -10.764 1.00 0.00 H new ATOM 1317 N ASN A 89 11.111 -3.046 -15.717 1.00 0.00 N ATOM 1318 CA ASN A 89 11.083 -2.030 -16.762 1.00 0.00 C ATOM 1319 C ASN A 89 9.684 -1.441 -16.913 1.00 0.00 C ATOM 1320 O ASN A 89 9.176 -1.299 -18.024 1.00 0.00 O ATOM 1321 CB ASN A 89 11.544 -2.626 -18.094 1.00 0.00 C ATOM 1322 CG ASN A 89 11.944 -1.560 -19.097 1.00 0.00 C ATOM 1323 OD1 ASN A 89 11.656 -0.378 -18.911 1.00 0.00 O ATOM 1324 ND2 ASN A 89 12.613 -1.976 -20.166 1.00 0.00 N ATOM 0 H ASN A 89 11.743 -2.839 -14.944 1.00 0.00 H new ATOM 0 HA ASN A 89 11.765 -1.230 -16.473 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.389 -3.291 -17.918 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.742 -3.234 -18.514 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.910 -1.305 -20.875 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.830 -2.966 -20.278 1.00 0.00 H new ATOM 1331 N ALA A 90 9.067 -1.101 -15.786 1.00 0.00 N ATOM 1332 CA ALA A 90 7.727 -0.526 -15.792 1.00 0.00 C ATOM 1333 C ALA A 90 7.578 0.528 -14.701 1.00 0.00 C ATOM 1334 O ALA A 90 8.410 0.626 -13.799 1.00 0.00 O ATOM 1335 CB ALA A 90 6.683 -1.619 -15.620 1.00 0.00 C ATOM 0 H ALA A 90 9.474 -1.214 -14.857 1.00 0.00 H new ATOM 0 HA ALA A 90 7.571 -0.039 -16.755 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.687 -1.175 -15.626 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.767 -2.334 -16.438 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.846 -2.132 -14.672 1.00 0.00 H new ATOM 1341 N THR A 91 6.511 1.317 -14.788 1.00 0.00 N ATOM 1342 CA THR A 91 6.253 2.365 -13.809 1.00 0.00 C ATOM 1343 C THR A 91 5.268 1.894 -12.745 1.00 0.00 C ATOM 1344 O THR A 91 4.086 1.690 -13.027 1.00 0.00 O ATOM 1345 CB THR A 91 5.698 3.636 -14.479 1.00 0.00 C ATOM 1346 OG1 THR A 91 4.742 3.281 -15.485 1.00 0.00 O ATOM 1347 CG2 THR A 91 6.819 4.452 -15.104 1.00 0.00 C ATOM 0 H THR A 91 5.811 1.249 -15.527 1.00 0.00 H new ATOM 0 HA THR A 91 7.208 2.599 -13.338 1.00 0.00 H new ATOM 0 HB THR A 91 5.213 4.241 -13.714 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.111 2.626 -15.120 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.403 5.345 -15.571 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.530 4.745 -14.332 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.329 3.852 -15.858 1.00 0.00 H new ATOM 1355 N CYS A 92 5.761 1.723 -11.524 1.00 0.00 N ATOM 1356 CA CYS A 92 4.923 1.275 -10.417 1.00 0.00 C ATOM 1357 C CYS A 92 4.569 2.439 -9.497 1.00 0.00 C ATOM 1358 O CYS A 92 5.370 3.354 -9.299 1.00 0.00 O ATOM 1359 CB CYS A 92 5.634 0.179 -9.622 1.00 0.00 C ATOM 1360 SG CYS A 92 4.719 -0.393 -8.172 1.00 0.00 S ATOM 0 H CYS A 92 6.736 1.888 -11.275 1.00 0.00 H new ATOM 0 HA CYS A 92 4.000 0.871 -10.833 1.00 0.00 H new ATOM 0 HB2 CYS A 92 5.819 -0.670 -10.280 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.607 0.551 -9.301 1.00 0.00 H new ATOM 0 HG CYS A 92 3.487 -0.638 -8.505 1.00 0.00 H new ATOM 1366 N THR A 93 3.364 2.400 -8.937 1.00 0.00 N ATOM 1367 CA THR A 93 2.903 3.452 -8.040 1.00 0.00 C ATOM 1368 C THR A 93 2.632 2.905 -6.644 1.00 0.00 C ATOM 1369 O THR A 93 1.755 2.060 -6.457 1.00 0.00 O ATOM 1370 CB THR A 93 1.624 4.125 -8.573 1.00 0.00 C ATOM 1371 OG1 THR A 93 1.736 4.340 -9.985 1.00 0.00 O ATOM 1372 CG2 THR A 93 1.376 5.451 -7.870 1.00 0.00 C ATOM 0 H THR A 93 2.689 1.650 -9.089 1.00 0.00 H new ATOM 0 HA THR A 93 3.700 4.194 -7.988 1.00 0.00 H new ATOM 0 HB THR A 93 0.781 3.464 -8.372 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.918 4.767 -10.317 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.468 5.907 -8.263 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.262 5.280 -6.800 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.221 6.118 -8.043 1.00 0.00 H new ATOM 1380 N VAL A 94 3.388 3.391 -5.665 1.00 0.00 N ATOM 1381 CA VAL A 94 3.227 2.951 -4.284 1.00 0.00 C ATOM 1382 C VAL A 94 2.292 3.879 -3.517 1.00 0.00 C ATOM 1383 O VAL A 94 2.398 5.102 -3.614 1.00 0.00 O ATOM 1384 CB VAL A 94 4.582 2.887 -3.554 1.00 0.00 C ATOM 1385 CG1 VAL A 94 4.401 2.366 -2.137 1.00 0.00 C ATOM 1386 CG2 VAL A 94 5.564 2.021 -4.329 1.00 0.00 C ATOM 0 H VAL A 94 4.118 4.090 -5.802 1.00 0.00 H new ATOM 0 HA VAL A 94 2.794 1.951 -4.319 1.00 0.00 H new ATOM 0 HB VAL A 94 4.991 3.895 -3.494 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.369 2.328 -1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.735 3.031 -1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.970 1.366 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.516 1.987 -3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.164 1.011 -4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.717 2.444 -5.322 1.00 0.00 H new ATOM 1396 N ARG A 95 1.378 3.290 -2.754 1.00 0.00 N ATOM 1397 CA ARG A 95 0.423 4.064 -1.970 1.00 0.00 C ATOM 1398 C ARG A 95 -0.014 3.292 -0.728 1.00 0.00 C ATOM 1399 O ARG A 95 -0.529 2.178 -0.828 1.00 0.00 O ATOM 1400 CB ARG A 95 -0.799 4.419 -2.820 1.00 0.00 C ATOM 1401 CG ARG A 95 -0.449 5.070 -4.147 1.00 0.00 C ATOM 1402 CD ARG A 95 -1.691 5.577 -4.864 1.00 0.00 C ATOM 1403 NE ARG A 95 -2.423 6.555 -4.063 1.00 0.00 N ATOM 1404 CZ ARG A 95 -3.641 6.990 -4.368 1.00 0.00 C ATOM 1405 NH1 ARG A 95 -4.260 6.535 -5.449 1.00 0.00 N ATOM 1406 NH2 ARG A 95 -4.242 7.881 -3.590 1.00 0.00 N ATOM 0 H ARG A 95 1.278 2.279 -2.662 1.00 0.00 H new ATOM 0 HA ARG A 95 0.914 4.983 -1.651 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.374 3.513 -3.010 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.442 5.092 -2.253 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.238 5.899 -3.977 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.070 4.351 -4.781 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.403 6.028 -5.813 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.345 4.736 -5.096 1.00 0.00 H new ATOM 0 HE ARG A 95 -1.975 6.924 -3.224 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.801 5.849 -6.049 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.195 6.871 -5.681 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.769 8.232 -2.757 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -5.177 8.215 -3.825 1.00 0.00 H new ATOM 1420 N ILE A 96 0.195 3.892 0.439 1.00 0.00 N ATOM 1421 CA ILE A 96 -0.178 3.261 1.699 1.00 0.00 C ATOM 1422 C ILE A 96 -1.301 4.029 2.387 1.00 0.00 C ATOM 1423 O ILE A 96 -1.381 5.253 2.288 1.00 0.00 O ATOM 1424 CB ILE A 96 1.024 3.163 2.657 1.00 0.00 C ATOM 1425 CG1 ILE A 96 2.239 2.586 1.928 1.00 0.00 C ATOM 1426 CG2 ILE A 96 0.670 2.309 3.865 1.00 0.00 C ATOM 1427 CD1 ILE A 96 3.435 2.366 2.827 1.00 0.00 C ATOM 0 H ILE A 96 0.620 4.814 0.538 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.523 2.255 1.458 1.00 0.00 H new ATOM 0 HB ILE A 96 1.275 4.165 3.006 1.00 0.00 H new ATOM 0 HG12 ILE A 96 1.960 1.637 1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.522 3.260 1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.529 2.249 4.533 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -0.170 2.758 4.394 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.397 1.307 3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 96 4.259 1.955 2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.740 3.316 3.266 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.170 1.668 3.621 1.00 0.00 H new ATOM 1439 N ALA A 97 -2.166 3.301 3.087 1.00 0.00 N ATOM 1440 CA ALA A 97 -3.282 3.914 3.795 1.00 0.00 C ATOM 1441 C ALA A 97 -3.501 3.253 5.152 1.00 0.00 C ATOM 1442 O ALA A 97 -3.158 2.088 5.347 1.00 0.00 O ATOM 1443 CB ALA A 97 -4.549 3.833 2.956 1.00 0.00 C ATOM 0 H ALA A 97 -2.115 2.286 3.178 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.039 4.963 3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.374 4.295 3.498 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.395 4.358 2.013 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.786 2.788 2.755 1.00 0.00 H new ATOM 1449 N ALA A 98 -4.073 4.006 6.086 1.00 0.00 N ATOM 1450 CA ALA A 98 -4.338 3.492 7.424 1.00 0.00 C ATOM 1451 C ALA A 98 -5.656 2.725 7.467 1.00 0.00 C ATOM 1452 O ALA A 98 -6.678 3.199 6.970 1.00 0.00 O ATOM 1453 CB ALA A 98 -4.355 4.630 8.433 1.00 0.00 C ATOM 0 H ALA A 98 -4.362 4.973 5.941 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.537 2.801 7.686 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.554 4.231 9.428 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -3.388 5.133 8.430 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.135 5.342 8.165 1.00 0.00 H new ATOM 1459 N VAL A 99 -5.625 1.537 8.062 1.00 0.00 N ATOM 1460 CA VAL A 99 -6.818 0.705 8.170 1.00 0.00 C ATOM 1461 C VAL A 99 -7.326 0.656 9.606 1.00 0.00 C ATOM 1462 O VAL A 99 -6.541 0.642 10.555 1.00 0.00 O ATOM 1463 CB VAL A 99 -6.546 -0.731 7.684 1.00 0.00 C ATOM 1464 CG1 VAL A 99 -7.802 -1.581 7.799 1.00 0.00 C ATOM 1465 CG2 VAL A 99 -6.029 -0.720 6.253 1.00 0.00 C ATOM 0 H VAL A 99 -4.787 1.129 8.477 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.579 1.158 7.534 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.779 -1.172 8.320 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.590 -2.592 7.451 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -8.124 -1.615 8.840 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.593 -1.146 7.189 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.842 -1.743 5.926 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.772 -0.261 5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.102 -0.149 6.205 1.00 0.00 H new ATOM 1475 N THR A 100 -8.646 0.629 9.760 1.00 0.00 N ATOM 1476 CA THR A 100 -9.261 0.582 11.081 1.00 0.00 C ATOM 1477 C THR A 100 -10.263 -0.562 11.181 1.00 0.00 C ATOM 1478 O THR A 100 -10.445 -1.324 10.232 1.00 0.00 O ATOM 1479 CB THR A 100 -9.975 1.905 11.416 1.00 0.00 C ATOM 1480 OG1 THR A 100 -10.983 2.179 10.436 1.00 0.00 O ATOM 1481 CG2 THR A 100 -8.983 3.058 11.467 1.00 0.00 C ATOM 0 H THR A 100 -9.310 0.639 8.986 1.00 0.00 H new ATOM 0 HA THR A 100 -8.456 0.420 11.798 1.00 0.00 H new ATOM 0 HB THR A 100 -10.440 1.803 12.397 1.00 0.00 H new ATOM 0 HG1 THR A 100 -10.603 2.078 9.538 1.00 0.00 H new ATOM 0 HG21 THR A 100 -9.511 3.982 11.705 1.00 0.00 H new ATOM 0 HG22 THR A 100 -8.234 2.860 12.234 1.00 0.00 H new ATOM 0 HG23 THR A 100 -8.493 3.159 10.499 1.00 0.00 H new ATOM 1489 N ARG A 101 -10.909 -0.677 12.336 1.00 0.00 N ATOM 1490 CA ARG A 101 -11.893 -1.730 12.560 1.00 0.00 C ATOM 1491 C ARG A 101 -13.270 -1.303 12.059 1.00 0.00 C ATOM 1492 O ARG A 101 -14.270 -1.973 12.314 1.00 0.00 O ATOM 1493 CB ARG A 101 -11.966 -2.081 14.047 1.00 0.00 C ATOM 1494 CG ARG A 101 -11.014 -3.193 14.457 1.00 0.00 C ATOM 1495 CD ARG A 101 -11.669 -4.560 14.339 1.00 0.00 C ATOM 1496 NE ARG A 101 -12.440 -4.903 15.531 1.00 0.00 N ATOM 1497 CZ ARG A 101 -13.354 -5.866 15.563 1.00 0.00 C ATOM 1498 NH1 ARG A 101 -13.610 -6.578 14.475 1.00 0.00 N ATOM 1499 NH2 ARG A 101 -14.014 -6.118 16.686 1.00 0.00 N ATOM 0 H ARG A 101 -10.769 -0.054 13.132 1.00 0.00 H new ATOM 0 HA ARG A 101 -11.579 -2.611 12.001 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -11.744 -1.189 14.634 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -12.986 -2.378 14.292 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.123 -3.160 13.830 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -10.687 -3.033 15.484 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -12.324 -4.574 13.468 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -10.902 -5.316 14.174 1.00 0.00 H new ATOM 0 HE ARG A 101 -12.267 -4.374 16.386 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -13.104 -6.387 13.610 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -14.313 -7.317 14.503 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -13.820 -5.572 17.525 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -14.716 -6.858 16.710 1.00 0.00 H new ATOM 1513 N GLY A 102 -13.313 -0.183 11.344 1.00 0.00 N ATOM 1514 CA GLY A 102 -14.571 0.315 10.819 1.00 0.00 C ATOM 1515 C GLY A 102 -14.536 0.510 9.316 1.00 0.00 C ATOM 1516 O GLY A 102 -15.521 0.252 8.626 1.00 0.00 O ATOM 0 H GLY A 102 -12.499 0.389 11.119 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.369 -0.383 11.073 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.812 1.263 11.300 1.00 0.00 H new ATOM 1520 N GLY A 103 -13.396 0.969 8.807 1.00 0.00 N ATOM 1521 CA GLY A 103 -13.258 1.193 7.380 1.00 0.00 C ATOM 1522 C GLY A 103 -11.914 1.789 7.014 1.00 0.00 C ATOM 1523 O GLY A 103 -11.216 2.336 7.867 1.00 0.00 O ATOM 0 H GLY A 103 -12.566 1.189 9.358 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -13.389 0.248 6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -14.052 1.859 7.042 1.00 0.00 H new ATOM 1527 N VAL A 104 -11.547 1.681 5.740 1.00 0.00 N ATOM 1528 CA VAL A 104 -10.277 2.213 5.263 1.00 0.00 C ATOM 1529 C VAL A 104 -10.393 3.696 4.926 1.00 0.00 C ATOM 1530 O VAL A 104 -11.489 4.208 4.702 1.00 0.00 O ATOM 1531 CB VAL A 104 -9.782 1.453 4.018 1.00 0.00 C ATOM 1532 CG1 VAL A 104 -10.770 1.606 2.871 1.00 0.00 C ATOM 1533 CG2 VAL A 104 -8.400 1.940 3.611 1.00 0.00 C ATOM 0 H VAL A 104 -12.112 1.230 5.021 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.557 2.082 6.070 1.00 0.00 H new ATOM 0 HB VAL A 104 -9.710 0.394 4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.404 1.062 2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.738 1.204 3.169 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.877 2.662 2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.066 1.392 2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -8.442 3.005 3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.700 1.773 4.429 1.00 0.00 H new ATOM 1543 N GLY A 105 -9.254 4.381 4.892 1.00 0.00 N ATOM 1544 CA GLY A 105 -9.250 5.798 4.582 1.00 0.00 C ATOM 1545 C GLY A 105 -8.469 6.114 3.322 1.00 0.00 C ATOM 1546 O GLY A 105 -8.060 5.221 2.580 1.00 0.00 O ATOM 0 H GLY A 105 -8.334 3.979 5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.277 6.144 4.465 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.821 6.349 5.419 1.00 0.00 H new ATOM 1550 N PRO A 106 -8.253 7.412 3.065 1.00 0.00 N ATOM 1551 CA PRO A 106 -7.515 7.873 1.885 1.00 0.00 C ATOM 1552 C PRO A 106 -6.029 7.541 1.964 1.00 0.00 C ATOM 1553 O PRO A 106 -5.435 7.558 3.042 1.00 0.00 O ATOM 1554 CB PRO A 106 -7.726 9.389 1.905 1.00 0.00 C ATOM 1555 CG PRO A 106 -7.985 9.717 3.334 1.00 0.00 C ATOM 1556 CD PRO A 106 -8.712 8.530 3.906 1.00 0.00 C ATOM 0 HA PRO A 106 -7.865 7.392 0.972 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -6.848 9.916 1.531 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.565 9.680 1.274 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -7.052 9.898 3.868 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.585 10.623 3.424 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -8.462 8.373 4.955 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -9.793 8.656 3.852 1.00 0.00 H new ATOM 1564 N PHE A 107 -5.433 7.239 0.815 1.00 0.00 N ATOM 1565 CA PHE A 107 -4.016 6.902 0.755 1.00 0.00 C ATOM 1566 C PHE A 107 -3.155 8.162 0.780 1.00 0.00 C ATOM 1567 O PHE A 107 -3.658 9.273 0.612 1.00 0.00 O ATOM 1568 CB PHE A 107 -3.716 6.091 -0.508 1.00 0.00 C ATOM 1569 CG PHE A 107 -4.287 4.702 -0.478 1.00 0.00 C ATOM 1570 CD1 PHE A 107 -5.656 4.504 -0.390 1.00 0.00 C ATOM 1571 CD2 PHE A 107 -3.456 3.595 -0.540 1.00 0.00 C ATOM 1572 CE1 PHE A 107 -6.184 3.227 -0.362 1.00 0.00 C ATOM 1573 CE2 PHE A 107 -3.979 2.316 -0.513 1.00 0.00 C ATOM 1574 CZ PHE A 107 -5.345 2.132 -0.425 1.00 0.00 C ATOM 0 H PHE A 107 -5.909 7.221 -0.087 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.774 6.301 1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.115 6.620 -1.373 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.636 6.029 -0.642 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -6.317 5.357 -0.343 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.387 3.733 -0.610 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -7.252 3.086 -0.291 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.320 1.461 -0.561 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.756 1.134 -0.405 1.00 0.00 H new ATOM 1584 N SER A 108 -1.856 7.980 0.992 1.00 0.00 N ATOM 1585 CA SER A 108 -0.925 9.101 1.043 1.00 0.00 C ATOM 1586 C SER A 108 -0.483 9.505 -0.360 1.00 0.00 C ATOM 1587 O SER A 108 -0.965 8.964 -1.355 1.00 0.00 O ATOM 1588 CB SER A 108 0.296 8.740 1.891 1.00 0.00 C ATOM 1589 OG SER A 108 1.059 7.716 1.276 1.00 0.00 O ATOM 0 H SER A 108 -1.424 7.067 1.131 1.00 0.00 H new ATOM 0 HA SER A 108 -1.439 9.947 1.501 1.00 0.00 H new ATOM 0 HB2 SER A 108 0.917 9.624 2.035 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.027 8.413 2.879 1.00 0.00 H new ATOM 0 HG SER A 108 1.105 6.939 1.872 1.00 0.00 H new ATOM 1595 N ASP A 109 0.439 10.459 -0.430 1.00 0.00 N ATOM 1596 CA ASP A 109 0.949 10.937 -1.711 1.00 0.00 C ATOM 1597 C ASP A 109 1.602 9.801 -2.493 1.00 0.00 C ATOM 1598 O ASP A 109 2.535 9.148 -2.024 1.00 0.00 O ATOM 1599 CB ASP A 109 1.955 12.068 -1.494 1.00 0.00 C ATOM 1600 CG ASP A 109 3.063 11.681 -0.534 1.00 0.00 C ATOM 1601 OD1 ASP A 109 2.757 11.059 0.505 1.00 0.00 O ATOM 1602 OD2 ASP A 109 4.235 12.002 -0.820 1.00 0.00 O ATOM 0 H ASP A 109 0.849 10.917 0.384 1.00 0.00 H new ATOM 0 HA ASP A 109 0.108 11.317 -2.291 1.00 0.00 H new ATOM 0 HB2 ASP A 109 2.391 12.351 -2.452 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.434 12.945 -1.109 1.00 0.00 H new ATOM 1607 N PRO A 110 1.102 9.558 -3.713 1.00 0.00 N ATOM 1608 CA PRO A 110 1.621 8.501 -4.586 1.00 0.00 C ATOM 1609 C PRO A 110 3.016 8.819 -5.113 1.00 0.00 C ATOM 1610 O PRO A 110 3.331 9.971 -5.410 1.00 0.00 O ATOM 1611 CB PRO A 110 0.611 8.461 -5.735 1.00 0.00 C ATOM 1612 CG PRO A 110 0.016 9.827 -5.763 1.00 0.00 C ATOM 1613 CD PRO A 110 -0.009 10.297 -4.336 1.00 0.00 C ATOM 0 HA PRO A 110 1.725 7.552 -4.060 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.097 8.221 -6.681 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.151 7.700 -5.566 1.00 0.00 H new ATOM 0 HG2 PRO A 110 0.609 10.498 -6.385 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.989 9.806 -6.185 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.136 11.375 -4.266 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.961 10.071 -3.855 1.00 0.00 H new ATOM 1621 N VAL A 111 3.849 7.789 -5.228 1.00 0.00 N ATOM 1622 CA VAL A 111 5.211 7.959 -5.722 1.00 0.00 C ATOM 1623 C VAL A 111 5.497 7.009 -6.880 1.00 0.00 C ATOM 1624 O VAL A 111 5.495 5.789 -6.712 1.00 0.00 O ATOM 1625 CB VAL A 111 6.246 7.719 -4.607 1.00 0.00 C ATOM 1626 CG1 VAL A 111 6.465 6.229 -4.393 1.00 0.00 C ATOM 1627 CG2 VAL A 111 7.556 8.416 -4.939 1.00 0.00 C ATOM 0 H VAL A 111 3.605 6.829 -4.986 1.00 0.00 H new ATOM 0 HA VAL A 111 5.296 8.988 -6.071 1.00 0.00 H new ATOM 0 HB VAL A 111 5.860 8.142 -3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 111 7.199 6.079 -3.602 1.00 0.00 H new ATOM 0 HG12 VAL A 111 5.523 5.760 -4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 111 6.830 5.779 -5.316 1.00 0.00 H new ATOM 0 HG21 VAL A 111 8.276 8.236 -4.141 1.00 0.00 H new ATOM 0 HG22 VAL A 111 7.949 8.024 -5.877 1.00 0.00 H new ATOM 0 HG23 VAL A 111 7.383 9.488 -5.037 1.00 0.00 H new ATOM 1637 N LYS A 112 5.745 7.576 -8.056 1.00 0.00 N ATOM 1638 CA LYS A 112 6.036 6.781 -9.243 1.00 0.00 C ATOM 1639 C LYS A 112 7.500 6.355 -9.267 1.00 0.00 C ATOM 1640 O LYS A 112 8.390 7.172 -9.504 1.00 0.00 O ATOM 1641 CB LYS A 112 5.705 7.577 -10.508 1.00 0.00 C ATOM 1642 CG LYS A 112 6.211 6.927 -11.784 1.00 0.00 C ATOM 1643 CD LYS A 112 6.152 7.889 -12.960 1.00 0.00 C ATOM 1644 CE LYS A 112 4.719 8.138 -13.405 1.00 0.00 C ATOM 1645 NZ LYS A 112 4.280 7.157 -14.435 1.00 0.00 N ATOM 0 H LYS A 112 5.750 8.584 -8.212 1.00 0.00 H new ATOM 0 HA LYS A 112 5.416 5.885 -9.211 1.00 0.00 H new ATOM 0 HB2 LYS A 112 4.624 7.701 -10.577 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.136 8.575 -10.423 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.237 6.590 -11.640 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.613 6.043 -12.005 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.617 8.835 -12.682 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.727 7.484 -13.792 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.056 8.080 -12.542 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.633 9.148 -13.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.298 7.360 -14.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.897 7.230 -15.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.337 6.195 -14.045 1.00 0.00 H new ATOM 1659 N ILE A 113 7.742 5.072 -9.021 1.00 0.00 N ATOM 1660 CA ILE A 113 9.098 4.538 -9.017 1.00 0.00 C ATOM 1661 C ILE A 113 9.388 3.763 -10.298 1.00 0.00 C ATOM 1662 O ILE A 113 8.607 2.902 -10.706 1.00 0.00 O ATOM 1663 CB ILE A 113 9.336 3.615 -7.807 1.00 0.00 C ATOM 1664 CG1 ILE A 113 10.661 2.865 -7.963 1.00 0.00 C ATOM 1665 CG2 ILE A 113 8.182 2.635 -7.653 1.00 0.00 C ATOM 1666 CD1 ILE A 113 11.241 2.384 -6.651 1.00 0.00 C ATOM 0 H ILE A 113 7.017 4.383 -8.822 1.00 0.00 H new ATOM 0 HA ILE A 113 9.773 5.392 -8.951 1.00 0.00 H new ATOM 0 HB ILE A 113 9.390 4.227 -6.907 1.00 0.00 H new ATOM 0 HG12 ILE A 113 10.509 2.008 -8.620 1.00 0.00 H new ATOM 0 HG13 ILE A 113 11.383 3.518 -8.453 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.365 1.990 -6.794 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.254 3.186 -7.502 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.099 2.026 -8.553 1.00 0.00 H new ATOM 0 HD11 ILE A 113 12.179 1.861 -6.838 1.00 0.00 H new ATOM 0 HD12 ILE A 113 11.425 3.238 -6.000 1.00 0.00 H new ATOM 0 HD13 ILE A 113 10.537 1.705 -6.169 1.00 0.00 H new ATOM 1678 N PHE A 114 10.516 4.072 -10.928 1.00 0.00 N ATOM 1679 CA PHE A 114 10.909 3.404 -12.164 1.00 0.00 C ATOM 1680 C PHE A 114 11.620 2.087 -11.867 1.00 0.00 C ATOM 1681 O PHE A 114 12.684 2.069 -11.248 1.00 0.00 O ATOM 1682 CB PHE A 114 11.821 4.313 -12.991 1.00 0.00 C ATOM 1683 CG PHE A 114 12.683 3.567 -13.969 1.00 0.00 C ATOM 1684 CD1 PHE A 114 13.890 3.017 -13.570 1.00 0.00 C ATOM 1685 CD2 PHE A 114 12.286 3.417 -15.288 1.00 0.00 C ATOM 1686 CE1 PHE A 114 14.685 2.329 -14.467 1.00 0.00 C ATOM 1687 CE2 PHE A 114 13.077 2.730 -16.190 1.00 0.00 C ATOM 1688 CZ PHE A 114 14.279 2.186 -15.779 1.00 0.00 C ATOM 0 H PHE A 114 11.174 4.780 -10.604 1.00 0.00 H new ATOM 0 HA PHE A 114 10.006 3.189 -12.735 1.00 0.00 H new ATOM 0 HB2 PHE A 114 11.208 5.032 -13.534 1.00 0.00 H new ATOM 0 HB3 PHE A 114 12.460 4.883 -12.317 1.00 0.00 H new ATOM 0 HD1 PHE A 114 14.214 3.127 -12.546 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.348 3.841 -15.615 1.00 0.00 H new ATOM 0 HE1 PHE A 114 15.623 1.904 -14.142 1.00 0.00 H new ATOM 0 HE2 PHE A 114 12.756 2.619 -17.215 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.899 1.650 -16.482 1.00 0.00 H new ATOM 1698 N ILE A 115 11.023 0.987 -12.312 1.00 0.00 N ATOM 1699 CA ILE A 115 11.598 -0.335 -12.095 1.00 0.00 C ATOM 1700 C ILE A 115 12.629 -0.669 -13.168 1.00 0.00 C ATOM 1701 O ILE A 115 12.301 -0.875 -14.337 1.00 0.00 O ATOM 1702 CB ILE A 115 10.512 -1.427 -12.085 1.00 0.00 C ATOM 1703 CG1 ILE A 115 9.270 -0.935 -11.339 1.00 0.00 C ATOM 1704 CG2 ILE A 115 11.048 -2.701 -11.450 1.00 0.00 C ATOM 1705 CD1 ILE A 115 9.481 -0.785 -9.849 1.00 0.00 C ATOM 0 H ILE A 115 10.141 0.985 -12.825 1.00 0.00 H new ATOM 0 HA ILE A 115 12.086 -0.311 -11.121 1.00 0.00 H new ATOM 0 HB ILE A 115 10.230 -1.648 -13.115 1.00 0.00 H new ATOM 0 HG12 ILE A 115 8.964 0.026 -11.753 1.00 0.00 H new ATOM 0 HG13 ILE A 115 8.451 -1.633 -11.514 1.00 0.00 H new ATOM 0 HG21 ILE A 115 10.269 -3.463 -11.450 1.00 0.00 H new ATOM 0 HG22 ILE A 115 11.906 -3.059 -12.020 1.00 0.00 H new ATOM 0 HG23 ILE A 115 11.354 -2.495 -10.424 1.00 0.00 H new ATOM 0 HD11 ILE A 115 8.560 -0.433 -9.385 1.00 0.00 H new ATOM 0 HD12 ILE A 115 9.757 -1.749 -9.422 1.00 0.00 H new ATOM 0 HD13 ILE A 115 10.278 -0.065 -9.665 1.00 0.00 H new ATOM 1717 N PRO A 116 13.907 -0.725 -12.764 1.00 0.00 N ATOM 1718 CA PRO A 116 15.012 -1.036 -13.675 1.00 0.00 C ATOM 1719 C PRO A 116 14.992 -2.490 -14.136 1.00 0.00 C ATOM 1720 O PRO A 116 14.903 -3.408 -13.322 1.00 0.00 O ATOM 1721 CB PRO A 116 16.258 -0.762 -12.828 1.00 0.00 C ATOM 1722 CG PRO A 116 15.805 -0.939 -11.420 1.00 0.00 C ATOM 1723 CD PRO A 116 14.370 -0.490 -11.386 1.00 0.00 C ATOM 0 HA PRO A 116 14.963 -0.446 -14.590 1.00 0.00 H new ATOM 0 HB2 PRO A 116 17.064 -1.453 -13.074 1.00 0.00 H new ATOM 0 HB3 PRO A 116 16.639 0.245 -12.998 1.00 0.00 H new ATOM 0 HG2 PRO A 116 15.896 -1.980 -11.109 1.00 0.00 H new ATOM 0 HG3 PRO A 116 16.415 -0.348 -10.737 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.787 -1.061 -10.663 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.284 0.560 -11.107 1.00 0.00 H new ATOM 1731 N ALA A 117 15.075 -2.690 -15.447 1.00 0.00 N ATOM 1732 CA ALA A 117 15.068 -4.032 -16.016 1.00 0.00 C ATOM 1733 C ALA A 117 16.020 -4.954 -15.261 1.00 0.00 C ATOM 1734 O ALA A 117 16.836 -4.497 -14.459 1.00 0.00 O ATOM 1735 CB ALA A 117 15.438 -3.982 -17.491 1.00 0.00 C ATOM 0 H ALA A 117 15.148 -1.940 -16.135 1.00 0.00 H new ATOM 0 HA ALA A 117 14.060 -4.435 -15.919 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.429 -4.991 -17.903 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.716 -3.365 -18.026 1.00 0.00 H new ATOM 0 HB3 ALA A 117 16.434 -3.554 -17.602 1.00 0.00 H new