USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=17 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 32 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 33 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 30 ASN : amide:sc= 0.462 K(o=-2.2,f=-3.3) USER MOD Set 2.2: A 35 ASN : amide:sc= -2.66! C(o=-2.2!,f=-5!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.695 X(o=-0.7,f=-0.59) USER MOD Single : A 26 THR OG1 : rot 30:sc= 0.276 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 130:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS :FLIP no HD1:sc= -10.8! C(o=-13!,f=-11!) USER MOD Single : A 62 GLN : amide:sc= -0.127 K(o=-0.13,f=-1.8!) USER MOD Single : A 63 SER OG : rot 180:sc= -0.199 USER MOD Single : A 67 SER OG : rot 7:sc= 1.03 USER MOD Single : A 68 LYS NZ :NH3+ -160:sc= -0.106 (180deg=-0.532) USER MOD Single : A 76 GLN : amide:sc= -0.0474 X(o=-0.047,f=-0.47) USER MOD Single : A 77 ASN : amide:sc= -0.0482 K(o=-0.048,f=-0.9) USER MOD Single : A 79 SER OG : rot -45:sc= 1.03 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.0853 K(o=-0.085,f=-1.9!) USER MOD Single : A 88 HIS : no HD1:sc= -3.28! C(o=-3.3!,f=-4.4!) USER MOD Single : A 89 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.7!) USER MOD Single : A 91 THR OG1 : rot 48:sc= 0.0279 USER MOD Single : A 92 CYS SG : rot 9:sc= 0.431 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 169:sc= -0.928 USER MOD Single : A 108 SER OG : rot -170:sc= 0.0377 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 199 N ALA A 17 -13.906 6.940 10.311 1.00 0.00 N ATOM 200 CA ALA A 17 -12.851 6.434 9.442 1.00 0.00 C ATOM 201 C ALA A 17 -11.615 7.325 9.503 1.00 0.00 C ATOM 202 O ALA A 17 -11.702 8.534 9.723 1.00 0.00 O ATOM 203 CB ALA A 17 -13.354 6.324 8.011 1.00 0.00 C ATOM 0 HA ALA A 17 -12.569 5.442 9.794 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.556 5.945 7.373 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.203 5.641 7.975 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -13.665 7.307 7.658 1.00 0.00 H new ATOM 209 N PRO A 18 -10.436 6.717 9.306 1.00 0.00 N ATOM 210 CA PRO A 18 -9.160 7.438 9.334 1.00 0.00 C ATOM 211 C PRO A 18 -8.992 8.367 8.137 1.00 0.00 C ATOM 212 O PRO A 18 -8.473 7.966 7.095 1.00 0.00 O ATOM 213 CB PRO A 18 -8.119 6.316 9.290 1.00 0.00 C ATOM 214 CG PRO A 18 -8.815 5.178 8.628 1.00 0.00 C ATOM 215 CD PRO A 18 -10.258 5.280 9.039 1.00 0.00 C ATOM 0 HA PRO A 18 -9.076 8.084 10.208 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.234 6.619 8.730 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.785 6.047 10.292 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.713 5.235 7.544 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.387 4.225 8.939 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.926 4.932 8.251 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.467 4.678 9.923 1.00 0.00 H new ATOM 223 N SER A 19 -9.434 9.611 8.293 1.00 0.00 N ATOM 224 CA SER A 19 -9.336 10.597 7.223 1.00 0.00 C ATOM 225 C SER A 19 -7.919 11.155 7.127 1.00 0.00 C ATOM 226 O SER A 19 -7.724 12.361 6.970 1.00 0.00 O ATOM 227 CB SER A 19 -10.331 11.735 7.457 1.00 0.00 C ATOM 228 OG SER A 19 -11.593 11.435 6.887 1.00 0.00 O ATOM 0 H SER A 19 -9.863 9.960 9.150 1.00 0.00 H new ATOM 0 HA SER A 19 -9.577 10.102 6.282 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.444 11.909 8.527 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.943 12.657 7.023 1.00 0.00 H new ATOM 0 HG SER A 19 -12.211 12.177 7.052 1.00 0.00 H new ATOM 234 N VAL A 20 -6.933 10.270 7.223 1.00 0.00 N ATOM 235 CA VAL A 20 -5.534 10.672 7.147 1.00 0.00 C ATOM 236 C VAL A 20 -4.661 9.531 6.638 1.00 0.00 C ATOM 237 O VAL A 20 -5.037 8.362 6.723 1.00 0.00 O ATOM 238 CB VAL A 20 -5.007 11.135 8.518 1.00 0.00 C ATOM 239 CG1 VAL A 20 -5.559 12.509 8.867 1.00 0.00 C ATOM 240 CG2 VAL A 20 -5.362 10.120 9.595 1.00 0.00 C ATOM 0 H VAL A 20 -7.077 9.269 7.354 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.482 11.505 6.446 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.921 11.210 8.464 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.175 12.819 9.839 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.250 13.229 8.109 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.648 12.465 8.904 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.982 10.463 10.557 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.445 10.012 9.650 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.913 9.157 9.350 1.00 0.00 H new ATOM 250 N ALA A 21 -3.492 9.878 6.109 1.00 0.00 N ATOM 251 CA ALA A 21 -2.563 8.883 5.588 1.00 0.00 C ATOM 252 C ALA A 21 -1.318 8.782 6.463 1.00 0.00 C ATOM 253 O ALA A 21 -1.066 9.626 7.324 1.00 0.00 O ATOM 254 CB ALA A 21 -2.178 9.219 4.155 1.00 0.00 C ATOM 0 H ALA A 21 -3.166 10.841 6.030 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.063 7.914 5.600 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.484 8.467 3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.072 9.232 3.531 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.702 10.199 4.126 1.00 0.00 H new ATOM 260 N PRO A 22 -0.521 7.727 6.240 1.00 0.00 N ATOM 261 CA PRO A 22 0.712 7.492 6.999 1.00 0.00 C ATOM 262 C PRO A 22 1.799 8.508 6.668 1.00 0.00 C ATOM 263 O PRO A 22 1.872 9.012 5.546 1.00 0.00 O ATOM 264 CB PRO A 22 1.138 6.090 6.558 1.00 0.00 C ATOM 265 CG PRO A 22 0.535 5.918 5.206 1.00 0.00 C ATOM 266 CD PRO A 22 -0.760 6.683 5.230 1.00 0.00 C ATOM 0 HA PRO A 22 0.553 7.586 8.073 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.224 5.999 6.522 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.778 5.330 7.252 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.199 6.300 4.431 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.362 4.864 4.987 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.991 7.112 4.255 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.599 6.044 5.504 1.00 0.00 H new ATOM 274 N LEU A 23 2.644 8.805 7.649 1.00 0.00 N ATOM 275 CA LEU A 23 3.729 9.762 7.462 1.00 0.00 C ATOM 276 C LEU A 23 5.041 9.044 7.162 1.00 0.00 C ATOM 277 O LEU A 23 5.073 7.823 7.018 1.00 0.00 O ATOM 278 CB LEU A 23 3.886 10.636 8.707 1.00 0.00 C ATOM 279 CG LEU A 23 2.610 10.896 9.509 1.00 0.00 C ATOM 280 CD1 LEU A 23 2.438 9.845 10.595 1.00 0.00 C ATOM 281 CD2 LEU A 23 2.637 12.292 10.115 1.00 0.00 C ATOM 0 H LEU A 23 2.599 8.397 8.583 1.00 0.00 H new ATOM 0 HA LEU A 23 3.479 10.396 6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.616 10.167 9.366 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.302 11.596 8.402 1.00 0.00 H new ATOM 0 HG LEU A 23 1.758 10.831 8.832 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.525 10.047 11.155 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.373 8.857 10.138 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.293 9.877 11.271 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.722 12.460 10.682 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.497 12.384 10.778 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.712 13.033 9.319 1.00 0.00 H new ATOM 293 N ASN A 24 6.122 9.812 7.071 1.00 0.00 N ATOM 294 CA ASN A 24 7.438 9.250 6.790 1.00 0.00 C ATOM 295 C ASN A 24 7.356 8.198 5.687 1.00 0.00 C ATOM 296 O ASN A 24 8.124 7.236 5.674 1.00 0.00 O ATOM 297 CB ASN A 24 8.032 8.631 8.057 1.00 0.00 C ATOM 298 CG ASN A 24 8.825 9.634 8.873 1.00 0.00 C ATOM 299 OD1 ASN A 24 10.003 9.425 9.160 1.00 0.00 O ATOM 300 ND2 ASN A 24 8.179 10.731 9.251 1.00 0.00 N ATOM 0 H ASN A 24 6.112 10.825 7.188 1.00 0.00 H new ATOM 0 HA ASN A 24 8.086 10.058 6.450 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.228 8.222 8.670 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.679 7.798 7.782 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.660 11.442 9.802 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.202 10.863 8.990 1.00 0.00 H new ATOM 307 N VAL A 25 6.419 8.389 4.764 1.00 0.00 N ATOM 308 CA VAL A 25 6.237 7.458 3.656 1.00 0.00 C ATOM 309 C VAL A 25 7.466 7.429 2.755 1.00 0.00 C ATOM 310 O VAL A 25 7.739 8.384 2.027 1.00 0.00 O ATOM 311 CB VAL A 25 5.003 7.826 2.811 1.00 0.00 C ATOM 312 CG1 VAL A 25 4.995 7.042 1.508 1.00 0.00 C ATOM 313 CG2 VAL A 25 3.725 7.579 3.599 1.00 0.00 C ATOM 0 H VAL A 25 5.774 9.179 4.761 1.00 0.00 H new ATOM 0 HA VAL A 25 6.088 6.471 4.093 1.00 0.00 H new ATOM 0 HB VAL A 25 5.054 8.887 2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.116 7.315 0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.895 7.274 0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.968 5.974 1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.863 7.844 2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.665 6.526 3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.731 8.190 4.502 1.00 0.00 H new ATOM 323 N THR A 26 8.206 6.326 2.808 1.00 0.00 N ATOM 324 CA THR A 26 9.408 6.172 1.997 1.00 0.00 C ATOM 325 C THR A 26 9.434 4.814 1.306 1.00 0.00 C ATOM 326 O THR A 26 9.079 3.796 1.901 1.00 0.00 O ATOM 327 CB THR A 26 10.683 6.328 2.847 1.00 0.00 C ATOM 328 OG1 THR A 26 10.507 5.687 4.116 1.00 0.00 O ATOM 329 CG2 THR A 26 11.017 7.797 3.057 1.00 0.00 C ATOM 0 H THR A 26 7.994 5.526 3.404 1.00 0.00 H new ATOM 0 HA THR A 26 9.384 6.959 1.244 1.00 0.00 H new ATOM 0 HB THR A 26 11.509 5.857 2.314 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.888 4.933 4.019 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.921 7.882 3.660 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.179 8.275 2.091 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.191 8.288 3.571 1.00 0.00 H new ATOM 337 N VAL A 27 9.857 4.804 0.046 1.00 0.00 N ATOM 338 CA VAL A 27 9.932 3.569 -0.726 1.00 0.00 C ATOM 339 C VAL A 27 11.285 3.433 -1.415 1.00 0.00 C ATOM 340 O VAL A 27 11.665 4.271 -2.232 1.00 0.00 O ATOM 341 CB VAL A 27 8.818 3.503 -1.788 1.00 0.00 C ATOM 342 CG1 VAL A 27 8.938 2.229 -2.609 1.00 0.00 C ATOM 343 CG2 VAL A 27 7.450 3.597 -1.130 1.00 0.00 C ATOM 0 H VAL A 27 10.153 5.637 -0.462 1.00 0.00 H new ATOM 0 HA VAL A 27 9.802 2.747 -0.022 1.00 0.00 H new ATOM 0 HB VAL A 27 8.931 4.352 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.143 2.200 -3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.906 2.209 -3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.852 1.363 -1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.674 3.549 -1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.324 2.769 -0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.370 4.541 -0.591 1.00 0.00 H new ATOM 353 N PHE A 28 12.009 2.370 -1.080 1.00 0.00 N ATOM 354 CA PHE A 28 13.321 2.123 -1.666 1.00 0.00 C ATOM 355 C PHE A 28 13.269 0.951 -2.641 1.00 0.00 C ATOM 356 O PHE A 28 12.610 -0.057 -2.384 1.00 0.00 O ATOM 357 CB PHE A 28 14.349 1.842 -0.568 1.00 0.00 C ATOM 358 CG PHE A 28 14.919 3.086 0.052 1.00 0.00 C ATOM 359 CD1 PHE A 28 14.133 3.900 0.853 1.00 0.00 C ATOM 360 CD2 PHE A 28 16.240 3.442 -0.166 1.00 0.00 C ATOM 361 CE1 PHE A 28 14.655 5.045 1.425 1.00 0.00 C ATOM 362 CE2 PHE A 28 16.767 4.585 0.404 1.00 0.00 C ATOM 363 CZ PHE A 28 15.973 5.388 1.199 1.00 0.00 C ATOM 0 H PHE A 28 11.709 1.666 -0.406 1.00 0.00 H new ATOM 0 HA PHE A 28 13.620 3.016 -2.214 1.00 0.00 H new ATOM 0 HB2 PHE A 28 13.882 1.239 0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 28 15.162 1.248 -0.986 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.101 3.637 1.032 1.00 0.00 H new ATOM 0 HD2 PHE A 28 16.865 2.819 -0.789 1.00 0.00 H new ATOM 0 HE1 PHE A 28 14.033 5.670 2.048 1.00 0.00 H new ATOM 0 HE2 PHE A 28 17.799 4.850 0.228 1.00 0.00 H new ATOM 0 HZ PHE A 28 16.383 6.283 1.643 1.00 0.00 H new ATOM 373 N LEU A 29 13.968 1.091 -3.763 1.00 0.00 N ATOM 374 CA LEU A 29 14.002 0.045 -4.779 1.00 0.00 C ATOM 375 C LEU A 29 15.416 -0.500 -4.952 1.00 0.00 C ATOM 376 O LEU A 29 16.277 0.155 -5.537 1.00 0.00 O ATOM 377 CB LEU A 29 13.484 0.585 -6.113 1.00 0.00 C ATOM 378 CG LEU A 29 13.938 -0.169 -7.363 1.00 0.00 C ATOM 379 CD1 LEU A 29 13.264 -1.530 -7.439 1.00 0.00 C ATOM 380 CD2 LEU A 29 13.641 0.646 -8.614 1.00 0.00 C ATOM 0 H LEU A 29 14.519 1.919 -3.992 1.00 0.00 H new ATOM 0 HA LEU A 29 13.357 -0.769 -4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.394 0.580 -6.086 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.796 1.625 -6.207 1.00 0.00 H new ATOM 0 HG LEU A 29 15.015 -0.323 -7.301 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.599 -2.052 -8.335 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.526 -2.116 -6.558 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.183 -1.399 -7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 29 13.971 0.094 -9.494 1.00 0.00 H new ATOM 0 HD22 LEU A 29 12.569 0.831 -8.682 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.171 1.597 -8.563 1.00 0.00 H new ATOM 392 N ASN A 30 15.647 -1.705 -4.440 1.00 0.00 N ATOM 393 CA ASN A 30 16.956 -2.339 -4.540 1.00 0.00 C ATOM 394 C ASN A 30 17.217 -2.829 -5.961 1.00 0.00 C ATOM 395 O ASN A 30 16.409 -3.561 -6.533 1.00 0.00 O ATOM 396 CB ASN A 30 17.055 -3.509 -3.558 1.00 0.00 C ATOM 397 CG ASN A 30 17.372 -3.054 -2.147 1.00 0.00 C ATOM 398 OD1 ASN A 30 18.318 -2.298 -1.924 1.00 0.00 O ATOM 399 ND2 ASN A 30 16.581 -3.515 -1.185 1.00 0.00 N ATOM 0 H ASN A 30 14.945 -2.261 -3.952 1.00 0.00 H new ATOM 0 HA ASN A 30 17.712 -1.596 -4.287 1.00 0.00 H new ATOM 0 HB2 ASN A 30 16.114 -4.059 -3.557 1.00 0.00 H new ATOM 0 HB3 ASN A 30 17.828 -4.199 -3.896 1.00 0.00 H new ATOM 0 HD21 ASN A 30 16.746 -3.244 -0.216 1.00 0.00 H new ATOM 0 HD22 ASN A 30 15.808 -4.140 -1.416 1.00 0.00 H new ATOM 406 N GLU A 31 18.350 -2.422 -6.524 1.00 0.00 N ATOM 407 CA GLU A 31 18.716 -2.820 -7.878 1.00 0.00 C ATOM 408 C GLU A 31 19.331 -4.216 -7.887 1.00 0.00 C ATOM 409 O GLU A 31 19.199 -4.958 -8.860 1.00 0.00 O ATOM 410 CB GLU A 31 19.698 -1.813 -8.481 1.00 0.00 C ATOM 411 CG GLU A 31 19.084 -0.451 -8.753 1.00 0.00 C ATOM 412 CD GLU A 31 19.962 0.421 -9.630 1.00 0.00 C ATOM 413 OE1 GLU A 31 21.039 0.841 -9.159 1.00 0.00 O ATOM 414 OE2 GLU A 31 19.571 0.682 -10.787 1.00 0.00 O ATOM 0 H GLU A 31 19.030 -1.817 -6.064 1.00 0.00 H new ATOM 0 HA GLU A 31 17.809 -2.838 -8.482 1.00 0.00 H new ATOM 0 HB2 GLU A 31 20.543 -1.692 -7.803 1.00 0.00 H new ATOM 0 HB3 GLU A 31 20.092 -2.217 -9.413 1.00 0.00 H new ATOM 0 HG2 GLU A 31 18.115 -0.583 -9.233 1.00 0.00 H new ATOM 0 HG3 GLU A 31 18.904 0.058 -7.806 1.00 0.00 H new ATOM 421 N SER A 32 20.005 -4.566 -6.796 1.00 0.00 N ATOM 422 CA SER A 32 20.645 -5.871 -6.679 1.00 0.00 C ATOM 423 C SER A 32 19.647 -6.926 -6.211 1.00 0.00 C ATOM 424 O SER A 32 19.781 -8.108 -6.530 1.00 0.00 O ATOM 425 CB SER A 32 21.823 -5.800 -5.705 1.00 0.00 C ATOM 426 OG SER A 32 21.376 -5.565 -4.381 1.00 0.00 O ATOM 0 H SER A 32 20.122 -3.964 -5.981 1.00 0.00 H new ATOM 0 HA SER A 32 21.014 -6.156 -7.664 1.00 0.00 H new ATOM 0 HB2 SER A 32 22.386 -6.732 -5.742 1.00 0.00 H new ATOM 0 HB3 SER A 32 22.503 -5.004 -6.009 1.00 0.00 H new ATOM 0 HG SER A 32 22.147 -5.526 -3.778 1.00 0.00 H new ATOM 432 N SER A 33 18.647 -6.490 -5.453 1.00 0.00 N ATOM 433 CA SER A 33 17.627 -7.395 -4.937 1.00 0.00 C ATOM 434 C SER A 33 16.270 -7.102 -5.569 1.00 0.00 C ATOM 435 O SER A 33 15.876 -5.944 -5.712 1.00 0.00 O ATOM 436 CB SER A 33 17.531 -7.275 -3.415 1.00 0.00 C ATOM 437 OG SER A 33 18.703 -7.768 -2.789 1.00 0.00 O ATOM 0 H SER A 33 18.521 -5.515 -5.182 1.00 0.00 H new ATOM 0 HA SER A 33 17.916 -8.414 -5.196 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.379 -6.232 -3.138 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.663 -7.830 -3.057 1.00 0.00 H new ATOM 0 HG SER A 33 18.617 -7.678 -1.817 1.00 0.00 H new ATOM 443 N ASP A 34 15.558 -8.159 -5.945 1.00 0.00 N ATOM 444 CA ASP A 34 14.244 -8.016 -6.561 1.00 0.00 C ATOM 445 C ASP A 34 13.171 -7.780 -5.503 1.00 0.00 C ATOM 446 O ASP A 34 12.126 -8.429 -5.509 1.00 0.00 O ATOM 447 CB ASP A 34 13.904 -9.262 -7.381 1.00 0.00 C ATOM 448 CG ASP A 34 13.970 -10.533 -6.558 1.00 0.00 C ATOM 449 OD1 ASP A 34 15.094 -10.981 -6.249 1.00 0.00 O ATOM 450 OD2 ASP A 34 12.899 -11.080 -6.223 1.00 0.00 O ATOM 0 H ASP A 34 15.869 -9.124 -5.834 1.00 0.00 H new ATOM 0 HA ASP A 34 14.272 -7.151 -7.223 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.903 -9.156 -7.800 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.595 -9.340 -8.221 1.00 0.00 H new ATOM 455 N ASN A 35 13.438 -6.847 -4.594 1.00 0.00 N ATOM 456 CA ASN A 35 12.496 -6.526 -3.529 1.00 0.00 C ATOM 457 C ASN A 35 12.384 -5.017 -3.337 1.00 0.00 C ATOM 458 O ASN A 35 13.318 -4.272 -3.635 1.00 0.00 O ATOM 459 CB ASN A 35 12.931 -7.187 -2.219 1.00 0.00 C ATOM 460 CG ASN A 35 14.147 -6.517 -1.610 1.00 0.00 C ATOM 461 OD1 ASN A 35 14.152 -5.308 -1.375 1.00 0.00 O ATOM 462 ND2 ASN A 35 15.187 -7.301 -1.351 1.00 0.00 N ATOM 0 H ASN A 35 14.299 -6.301 -4.574 1.00 0.00 H new ATOM 0 HA ASN A 35 11.517 -6.911 -3.816 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.106 -7.154 -1.507 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.152 -8.239 -2.402 1.00 0.00 H new ATOM 0 HD21 ASN A 35 16.034 -6.906 -0.941 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.139 -8.298 -1.562 1.00 0.00 H new ATOM 469 N VAL A 36 11.235 -4.573 -2.837 1.00 0.00 N ATOM 470 CA VAL A 36 11.002 -3.152 -2.604 1.00 0.00 C ATOM 471 C VAL A 36 10.763 -2.870 -1.125 1.00 0.00 C ATOM 472 O VAL A 36 9.782 -3.335 -0.544 1.00 0.00 O ATOM 473 CB VAL A 36 9.795 -2.642 -3.414 1.00 0.00 C ATOM 474 CG1 VAL A 36 9.599 -1.149 -3.197 1.00 0.00 C ATOM 475 CG2 VAL A 36 9.975 -2.955 -4.892 1.00 0.00 C ATOM 0 H VAL A 36 10.452 -5.176 -2.586 1.00 0.00 H new ATOM 0 HA VAL A 36 11.899 -2.626 -2.931 1.00 0.00 H new ATOM 0 HB VAL A 36 8.900 -3.157 -3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 36 8.742 -0.806 -3.777 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.422 -0.955 -2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.492 -0.614 -3.519 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.113 -2.588 -5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.879 -2.469 -5.259 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.062 -4.033 -5.028 1.00 0.00 H new ATOM 485 N ASP A 37 11.666 -2.106 -0.521 1.00 0.00 N ATOM 486 CA ASP A 37 11.554 -1.759 0.891 1.00 0.00 C ATOM 487 C ASP A 37 10.509 -0.668 1.101 1.00 0.00 C ATOM 488 O ASP A 37 10.527 0.361 0.424 1.00 0.00 O ATOM 489 CB ASP A 37 12.907 -1.299 1.434 1.00 0.00 C ATOM 490 CG ASP A 37 13.074 -1.608 2.909 1.00 0.00 C ATOM 491 OD1 ASP A 37 12.696 -2.723 3.328 1.00 0.00 O ATOM 492 OD2 ASP A 37 13.584 -0.737 3.644 1.00 0.00 O ATOM 0 H ASP A 37 12.484 -1.715 -0.987 1.00 0.00 H new ATOM 0 HA ASP A 37 11.238 -2.649 1.435 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.705 -1.784 0.872 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.013 -0.226 1.276 1.00 0.00 H new ATOM 497 N ILE A 38 9.599 -0.900 2.041 1.00 0.00 N ATOM 498 CA ILE A 38 8.547 0.064 2.340 1.00 0.00 C ATOM 499 C ILE A 38 8.473 0.351 3.836 1.00 0.00 C ATOM 500 O ILE A 38 8.193 -0.541 4.637 1.00 0.00 O ATOM 501 CB ILE A 38 7.173 -0.435 1.856 1.00 0.00 C ATOM 502 CG1 ILE A 38 7.283 -1.005 0.440 1.00 0.00 C ATOM 503 CG2 ILE A 38 6.154 0.693 1.902 1.00 0.00 C ATOM 504 CD1 ILE A 38 6.226 -2.039 0.121 1.00 0.00 C ATOM 0 H ILE A 38 9.569 -1.747 2.609 1.00 0.00 H new ATOM 0 HA ILE A 38 8.799 0.982 1.809 1.00 0.00 H new ATOM 0 HB ILE A 38 6.836 -1.230 2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.209 -0.188 -0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.268 -1.453 0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.188 0.325 1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.059 1.056 2.925 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.483 1.507 1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.365 -2.399 -0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.313 -2.874 0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.237 -1.590 0.215 1.00 0.00 H new ATOM 516 N ARG A 39 8.725 1.602 4.206 1.00 0.00 N ATOM 517 CA ARG A 39 8.687 2.008 5.606 1.00 0.00 C ATOM 518 C ARG A 39 7.912 3.312 5.773 1.00 0.00 C ATOM 519 O ARG A 39 8.187 4.300 5.092 1.00 0.00 O ATOM 520 CB ARG A 39 10.107 2.172 6.151 1.00 0.00 C ATOM 521 CG ARG A 39 10.167 2.303 7.664 1.00 0.00 C ATOM 522 CD ARG A 39 10.023 3.752 8.103 1.00 0.00 C ATOM 523 NE ARG A 39 10.075 3.891 9.556 1.00 0.00 N ATOM 524 CZ ARG A 39 9.915 5.047 10.190 1.00 0.00 C ATOM 525 NH1 ARG A 39 9.694 6.159 9.502 1.00 0.00 N ATOM 526 NH2 ARG A 39 9.976 5.093 11.515 1.00 0.00 N ATOM 0 H ARG A 39 8.958 2.352 3.556 1.00 0.00 H new ATOM 0 HA ARG A 39 8.177 1.228 6.171 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.706 1.314 5.845 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.561 3.055 5.700 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.375 1.705 8.114 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.114 1.904 8.028 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.817 4.348 7.653 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.078 4.150 7.734 1.00 0.00 H new ATOM 0 HE ARG A 39 10.243 3.054 10.114 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.647 6.128 8.484 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.571 7.046 9.991 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.146 4.240 12.048 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.853 5.981 12.001 1.00 0.00 H new ATOM 540 N TRP A 40 6.944 3.306 6.682 1.00 0.00 N ATOM 541 CA TRP A 40 6.130 4.489 6.938 1.00 0.00 C ATOM 542 C TRP A 40 5.964 4.721 8.436 1.00 0.00 C ATOM 543 O TRP A 40 6.490 3.966 9.253 1.00 0.00 O ATOM 544 CB TRP A 40 4.758 4.341 6.277 1.00 0.00 C ATOM 545 CG TRP A 40 4.013 3.119 6.721 1.00 0.00 C ATOM 546 CD1 TRP A 40 3.020 3.059 7.657 1.00 0.00 C ATOM 547 CD2 TRP A 40 4.204 1.780 6.250 1.00 0.00 C ATOM 548 NE1 TRP A 40 2.582 1.764 7.795 1.00 0.00 N ATOM 549 CE2 TRP A 40 3.291 0.961 6.942 1.00 0.00 C ATOM 550 CE3 TRP A 40 5.055 1.195 5.308 1.00 0.00 C ATOM 551 CZ2 TRP A 40 3.209 -0.412 6.722 1.00 0.00 C ATOM 552 CZ3 TRP A 40 4.972 -0.167 5.091 1.00 0.00 C ATOM 553 CH2 TRP A 40 4.054 -0.958 5.795 1.00 0.00 C ATOM 0 H TRP A 40 6.704 2.496 7.254 1.00 0.00 H new ATOM 0 HA TRP A 40 6.641 5.352 6.510 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.159 5.224 6.499 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.886 4.307 5.195 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.636 3.905 8.208 1.00 0.00 H new ATOM 0 HE1 TRP A 40 1.848 1.451 8.430 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.765 1.797 4.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 2.503 -1.024 7.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.626 -0.630 4.367 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.013 -2.020 5.602 1.00 0.00 H new ATOM 564 N MET A 41 5.229 5.771 8.790 1.00 0.00 N ATOM 565 CA MET A 41 4.994 6.101 10.190 1.00 0.00 C ATOM 566 C MET A 41 3.505 6.047 10.518 1.00 0.00 C ATOM 567 O MET A 41 2.659 6.126 9.628 1.00 0.00 O ATOM 568 CB MET A 41 5.548 7.491 10.509 1.00 0.00 C ATOM 569 CG MET A 41 6.998 7.478 10.964 1.00 0.00 C ATOM 570 SD MET A 41 7.171 7.101 12.719 1.00 0.00 S ATOM 571 CE MET A 41 7.329 8.748 13.405 1.00 0.00 C ATOM 0 H MET A 41 4.787 6.407 8.126 1.00 0.00 H new ATOM 0 HA MET A 41 5.511 5.363 10.803 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.459 8.120 9.623 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.936 7.947 11.287 1.00 0.00 H new ATOM 0 HG2 MET A 41 7.551 6.741 10.382 1.00 0.00 H new ATOM 0 HG3 MET A 41 7.448 8.449 10.759 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.444 8.682 14.487 1.00 0.00 H new ATOM 0 HE2 MET A 41 8.203 9.238 12.976 1.00 0.00 H new ATOM 0 HE3 MET A 41 6.436 9.327 13.170 1.00 0.00 H new ATOM 581 N LYS A 42 3.191 5.912 11.803 1.00 0.00 N ATOM 582 CA LYS A 42 1.805 5.848 12.249 1.00 0.00 C ATOM 583 C LYS A 42 1.186 7.241 12.304 1.00 0.00 C ATOM 584 O LYS A 42 1.796 8.199 12.778 1.00 0.00 O ATOM 585 CB LYS A 42 1.722 5.187 13.627 1.00 0.00 C ATOM 586 CG LYS A 42 0.299 4.922 14.090 1.00 0.00 C ATOM 587 CD LYS A 42 0.269 4.324 15.486 1.00 0.00 C ATOM 588 CE LYS A 42 0.657 2.854 15.471 1.00 0.00 C ATOM 589 NZ LYS A 42 1.206 2.411 16.783 1.00 0.00 N ATOM 0 H LYS A 42 3.879 5.845 12.553 1.00 0.00 H new ATOM 0 HA LYS A 42 1.245 5.249 11.530 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.269 4.244 13.602 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.220 5.825 14.357 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.267 5.853 14.080 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.191 4.243 13.392 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.951 4.875 16.134 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.730 4.433 15.908 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.216 2.251 15.220 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.398 2.682 14.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.458 1.403 16.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.054 2.969 17.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.490 2.551 17.524 1.00 0.00 H new ATOM 603 N PRO A 43 -0.055 7.358 11.808 1.00 0.00 N ATOM 604 CA PRO A 43 -0.784 8.629 11.791 1.00 0.00 C ATOM 605 C PRO A 43 -1.194 9.082 13.189 1.00 0.00 C ATOM 606 O PRO A 43 -1.226 8.297 14.137 1.00 0.00 O ATOM 607 CB PRO A 43 -2.022 8.317 10.946 1.00 0.00 C ATOM 608 CG PRO A 43 -2.218 6.848 11.091 1.00 0.00 C ATOM 609 CD PRO A 43 -0.842 6.257 11.228 1.00 0.00 C ATOM 0 HA PRO A 43 -0.175 9.442 11.396 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.892 8.869 11.300 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.870 8.595 9.903 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.829 6.620 11.964 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.735 6.436 10.224 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.844 5.380 11.875 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.442 5.941 10.264 1.00 0.00 H new ATOM 617 N PRO A 44 -1.515 10.377 13.322 1.00 0.00 N ATOM 618 CA PRO A 44 -1.929 10.963 14.600 1.00 0.00 C ATOM 619 C PRO A 44 -3.305 10.475 15.042 1.00 0.00 C ATOM 620 O PRO A 44 -3.846 10.937 16.047 1.00 0.00 O ATOM 621 CB PRO A 44 -1.963 12.465 14.308 1.00 0.00 C ATOM 622 CG PRO A 44 -2.191 12.560 12.839 1.00 0.00 C ATOM 623 CD PRO A 44 -1.499 11.370 12.234 1.00 0.00 C ATOM 0 HA PRO A 44 -1.255 10.688 15.412 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.759 12.959 14.865 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.028 12.945 14.595 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.256 12.551 12.608 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.787 13.491 12.441 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.023 11.006 11.350 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.482 11.611 11.925 1.00 0.00 H new ATOM 735 N LEU A 52 -5.601 2.259 15.281 1.00 0.00 N ATOM 736 CA LEU A 52 -5.153 1.658 14.029 1.00 0.00 C ATOM 737 C LEU A 52 -5.009 0.147 14.172 1.00 0.00 C ATOM 738 O LEU A 52 -4.350 -0.341 15.091 1.00 0.00 O ATOM 739 CB LEU A 52 -3.821 2.271 13.594 1.00 0.00 C ATOM 740 CG LEU A 52 -3.081 1.541 12.473 1.00 0.00 C ATOM 741 CD1 LEU A 52 -2.252 2.520 11.656 1.00 0.00 C ATOM 742 CD2 LEU A 52 -2.200 0.440 13.044 1.00 0.00 C ATOM 0 HA LEU A 52 -5.905 1.862 13.267 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.003 3.297 13.274 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.165 2.320 14.463 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.819 1.083 11.814 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.732 1.983 10.863 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.907 3.273 11.216 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.522 3.007 12.303 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.681 -0.069 12.232 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.469 0.876 13.725 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.818 -0.277 13.585 1.00 0.00 H new ATOM 754 N VAL A 53 -5.627 -0.591 13.255 1.00 0.00 N ATOM 755 CA VAL A 53 -5.564 -2.048 13.276 1.00 0.00 C ATOM 756 C VAL A 53 -4.648 -2.574 12.177 1.00 0.00 C ATOM 757 O VAL A 53 -4.113 -3.678 12.276 1.00 0.00 O ATOM 758 CB VAL A 53 -6.962 -2.672 13.107 1.00 0.00 C ATOM 759 CG1 VAL A 53 -7.875 -2.255 14.249 1.00 0.00 C ATOM 760 CG2 VAL A 53 -7.560 -2.281 11.764 1.00 0.00 C ATOM 0 H VAL A 53 -6.177 -0.204 12.488 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.162 -2.334 14.248 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.862 -3.757 13.132 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.858 -2.706 14.112 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.451 -2.591 15.195 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.972 -1.169 14.260 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.548 -2.730 11.661 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.647 -1.196 11.707 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.914 -2.636 10.961 1.00 0.00 H new ATOM 770 N GLY A 54 -4.469 -1.775 11.129 1.00 0.00 N ATOM 771 CA GLY A 54 -3.617 -2.178 10.026 1.00 0.00 C ATOM 772 C GLY A 54 -3.464 -1.088 8.984 1.00 0.00 C ATOM 773 O GLY A 54 -3.977 0.018 9.152 1.00 0.00 O ATOM 0 H GLY A 54 -4.899 -0.856 11.025 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.634 -2.449 10.411 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.033 -3.070 9.557 1.00 0.00 H new ATOM 777 N TYR A 55 -2.755 -1.400 7.904 1.00 0.00 N ATOM 778 CA TYR A 55 -2.532 -0.437 6.832 1.00 0.00 C ATOM 779 C TYR A 55 -3.019 -0.987 5.495 1.00 0.00 C ATOM 780 O TYR A 55 -3.450 -2.137 5.405 1.00 0.00 O ATOM 781 CB TYR A 55 -1.048 -0.080 6.739 1.00 0.00 C ATOM 782 CG TYR A 55 -0.512 0.611 7.972 1.00 0.00 C ATOM 783 CD1 TYR A 55 -0.124 -0.119 9.089 1.00 0.00 C ATOM 784 CD2 TYR A 55 -0.395 1.995 8.021 1.00 0.00 C ATOM 785 CE1 TYR A 55 0.365 0.509 10.218 1.00 0.00 C ATOM 786 CE2 TYR A 55 0.094 2.631 9.146 1.00 0.00 C ATOM 787 CZ TYR A 55 0.473 1.883 10.242 1.00 0.00 C ATOM 788 OH TYR A 55 0.959 2.513 11.364 1.00 0.00 O ATOM 0 H TYR A 55 -2.325 -2.312 7.748 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.102 0.463 7.063 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.474 -0.990 6.565 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.892 0.565 5.875 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.206 -1.196 9.074 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.691 2.583 7.165 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.661 -0.074 11.078 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.179 3.707 9.167 1.00 0.00 H new ATOM 0 HH TYR A 55 1.665 3.141 11.106 1.00 0.00 H new ATOM 798 N ARG A 56 -2.947 -0.158 4.460 1.00 0.00 N ATOM 799 CA ARG A 56 -3.381 -0.560 3.127 1.00 0.00 C ATOM 800 C ARG A 56 -2.378 -0.108 2.069 1.00 0.00 C ATOM 801 O ARG A 56 -2.239 1.086 1.802 1.00 0.00 O ATOM 802 CB ARG A 56 -4.761 0.023 2.819 1.00 0.00 C ATOM 803 CG ARG A 56 -5.378 -0.515 1.538 1.00 0.00 C ATOM 804 CD ARG A 56 -6.097 -1.833 1.778 1.00 0.00 C ATOM 805 NE ARG A 56 -7.496 -1.635 2.147 1.00 0.00 N ATOM 806 CZ ARG A 56 -8.409 -1.132 1.323 1.00 0.00 C ATOM 807 NH1 ARG A 56 -8.073 -0.780 0.090 1.00 0.00 N ATOM 808 NH2 ARG A 56 -9.663 -0.982 1.733 1.00 0.00 N ATOM 0 H ARG A 56 -2.592 0.797 4.518 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.441 -1.648 3.105 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.430 -0.191 3.652 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.680 1.107 2.745 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.080 0.216 1.136 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.599 -0.655 0.788 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.043 -2.444 0.877 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.588 -2.385 2.569 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.788 -1.897 3.088 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.111 -0.895 -0.229 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.776 -0.394 -0.540 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.926 -1.253 2.681 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.364 -0.596 1.100 1.00 0.00 H new ATOM 822 N ILE A 57 -1.682 -1.070 1.472 1.00 0.00 N ATOM 823 CA ILE A 57 -0.694 -0.770 0.444 1.00 0.00 C ATOM 824 C ILE A 57 -1.187 -1.198 -0.934 1.00 0.00 C ATOM 825 O ILE A 57 -1.649 -2.324 -1.117 1.00 0.00 O ATOM 826 CB ILE A 57 0.649 -1.466 0.735 1.00 0.00 C ATOM 827 CG1 ILE A 57 1.105 -1.165 2.164 1.00 0.00 C ATOM 828 CG2 ILE A 57 1.704 -1.021 -0.267 1.00 0.00 C ATOM 829 CD1 ILE A 57 2.407 -1.840 2.538 1.00 0.00 C ATOM 0 H ILE A 57 -1.784 -2.063 1.683 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.545 0.310 0.455 1.00 0.00 H new ATOM 0 HB ILE A 57 0.512 -2.543 0.636 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.217 -0.087 2.282 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.328 -1.482 2.859 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.647 -1.521 -0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.381 -1.280 -1.275 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.841 0.058 -0.196 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.669 -1.582 3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.294 -2.921 2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.197 -1.504 1.866 1.00 0.00 H new ATOM 841 N SER A 58 -1.084 -0.292 -1.901 1.00 0.00 N ATOM 842 CA SER A 58 -1.521 -0.574 -3.263 1.00 0.00 C ATOM 843 C SER A 58 -0.425 -0.233 -4.268 1.00 0.00 C ATOM 844 O SER A 58 -0.114 0.938 -4.491 1.00 0.00 O ATOM 845 CB SER A 58 -2.790 0.216 -3.588 1.00 0.00 C ATOM 846 OG SER A 58 -3.214 -0.024 -4.919 1.00 0.00 O ATOM 0 H SER A 58 -0.702 0.644 -1.766 1.00 0.00 H new ATOM 0 HA SER A 58 -1.736 -1.640 -3.335 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.583 -0.063 -2.895 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.605 1.281 -3.449 1.00 0.00 H new ATOM 0 HG SER A 58 -4.028 0.491 -5.101 1.00 0.00 H new ATOM 852 N HIS A 59 0.159 -1.264 -4.870 1.00 0.00 N ATOM 853 CA HIS A 59 1.221 -1.074 -5.852 1.00 0.00 C ATOM 854 C HIS A 59 0.820 -1.654 -7.205 1.00 0.00 C ATOM 855 O HIS A 59 0.665 -2.866 -7.352 1.00 0.00 O ATOM 856 CB HIS A 59 2.515 -1.729 -5.367 1.00 0.00 C ATOM 857 CG HIS A 59 2.363 -3.181 -5.034 1.00 0.00 C ATOM 858 ND1 HIS A 59 1.751 -3.791 -3.992 1.00 0.00 N flip ATOM 859 CD2 HIS A 59 2.879 -4.191 -5.818 1.00 0.00 C flip ATOM 860 CE1 HIS A 59 1.905 -5.144 -4.165 1.00 0.00 C flip ATOM 861 NE2 HIS A 59 2.588 -5.360 -5.274 1.00 0.00 N flip ATOM 0 H HIS A 59 -0.085 -2.239 -4.695 1.00 0.00 H new ATOM 0 HA HIS A 59 1.386 -0.003 -5.970 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.279 -1.619 -6.137 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.873 -1.198 -4.485 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.434 -4.049 -6.733 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.528 -5.908 -3.501 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.847 -6.273 -5.647 1.00 0.00 H new ATOM 870 N VAL A 60 0.652 -0.779 -8.192 1.00 0.00 N ATOM 871 CA VAL A 60 0.269 -1.204 -9.533 1.00 0.00 C ATOM 872 C VAL A 60 1.433 -1.064 -10.507 1.00 0.00 C ATOM 873 O VAL A 60 2.200 -0.103 -10.440 1.00 0.00 O ATOM 874 CB VAL A 60 -0.927 -0.389 -10.060 1.00 0.00 C ATOM 875 CG1 VAL A 60 -1.405 -0.943 -11.394 1.00 0.00 C ATOM 876 CG2 VAL A 60 -2.057 -0.383 -9.041 1.00 0.00 C ATOM 0 H VAL A 60 0.775 0.228 -8.088 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.018 -2.253 -9.462 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.603 0.640 -10.216 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.250 -0.354 -11.750 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.594 -0.891 -12.121 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.713 -1.981 -11.268 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.894 0.197 -9.429 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.382 -1.406 -8.852 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.706 0.064 -8.111 1.00 0.00 H new ATOM 886 N TRP A 61 1.559 -2.028 -11.412 1.00 0.00 N ATOM 887 CA TRP A 61 2.631 -2.012 -12.401 1.00 0.00 C ATOM 888 C TRP A 61 2.092 -1.653 -13.782 1.00 0.00 C ATOM 889 O TRP A 61 1.231 -2.348 -14.320 1.00 0.00 O ATOM 890 CB TRP A 61 3.328 -3.372 -12.450 1.00 0.00 C ATOM 891 CG TRP A 61 3.784 -3.855 -11.107 1.00 0.00 C ATOM 892 CD1 TRP A 61 3.000 -4.351 -10.105 1.00 0.00 C ATOM 893 CD2 TRP A 61 5.130 -3.885 -10.618 1.00 0.00 C ATOM 894 NE1 TRP A 61 3.777 -4.688 -9.023 1.00 0.00 N ATOM 895 CE2 TRP A 61 5.087 -4.412 -9.313 1.00 0.00 C ATOM 896 CE3 TRP A 61 6.366 -3.519 -11.157 1.00 0.00 C ATOM 897 CZ2 TRP A 61 6.234 -4.581 -8.541 1.00 0.00 C ATOM 898 CZ3 TRP A 61 7.503 -3.687 -10.390 1.00 0.00 C ATOM 899 CH2 TRP A 61 7.431 -4.214 -9.093 1.00 0.00 C ATOM 0 H TRP A 61 0.933 -2.830 -11.482 1.00 0.00 H new ATOM 0 HA TRP A 61 3.354 -1.252 -12.105 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.646 -4.106 -12.880 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.188 -3.307 -13.116 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.927 -4.462 -10.156 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.434 -5.080 -8.146 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.432 -3.112 -12.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 6.180 -4.987 -7.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 8.464 -3.407 -10.797 1.00 0.00 H new ATOM 0 HH2 TRP A 61 8.338 -4.333 -8.518 1.00 0.00 H new ATOM 910 N GLN A 62 2.604 -0.565 -14.348 1.00 0.00 N ATOM 911 CA GLN A 62 2.173 -0.115 -15.666 1.00 0.00 C ATOM 912 C GLN A 62 3.335 -0.128 -16.653 1.00 0.00 C ATOM 913 O GLN A 62 4.290 0.636 -16.513 1.00 0.00 O ATOM 914 CB GLN A 62 1.578 1.291 -15.579 1.00 0.00 C ATOM 915 CG GLN A 62 0.083 1.303 -15.302 1.00 0.00 C ATOM 916 CD GLN A 62 -0.587 2.581 -15.768 1.00 0.00 C ATOM 917 OE1 GLN A 62 -0.097 3.257 -16.674 1.00 0.00 O ATOM 918 NE2 GLN A 62 -1.713 2.918 -15.152 1.00 0.00 N ATOM 0 H GLN A 62 3.318 0.021 -13.915 1.00 0.00 H new ATOM 0 HA GLN A 62 1.408 -0.804 -16.025 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.089 1.845 -14.792 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.770 1.816 -16.515 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.382 0.452 -15.799 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.085 1.178 -14.232 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.083 2.328 -14.407 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.209 3.767 -15.424 1.00 0.00 H new ATOM 927 N SER A 63 3.248 -1.001 -17.652 1.00 0.00 N ATOM 928 CA SER A 63 4.295 -1.116 -18.660 1.00 0.00 C ATOM 929 C SER A 63 3.711 -1.000 -20.065 1.00 0.00 C ATOM 930 O SER A 63 2.510 -1.179 -20.267 1.00 0.00 O ATOM 931 CB SER A 63 5.032 -2.449 -18.511 1.00 0.00 C ATOM 932 OG SER A 63 5.521 -2.904 -19.761 1.00 0.00 O ATOM 0 H SER A 63 2.463 -1.639 -17.785 1.00 0.00 H new ATOM 0 HA SER A 63 5.001 -0.299 -18.510 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.861 -2.334 -17.813 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.359 -3.195 -18.087 1.00 0.00 H new ATOM 0 HG SER A 63 5.989 -3.756 -19.639 1.00 0.00 H new ATOM 938 N ALA A 64 4.570 -0.698 -21.033 1.00 0.00 N ATOM 939 CA ALA A 64 4.141 -0.559 -22.419 1.00 0.00 C ATOM 940 C ALA A 64 3.624 -1.884 -22.969 1.00 0.00 C ATOM 941 O ALA A 64 4.403 -2.781 -23.289 1.00 0.00 O ATOM 942 CB ALA A 64 5.287 -0.040 -23.276 1.00 0.00 C ATOM 0 H ALA A 64 5.567 -0.545 -20.883 1.00 0.00 H new ATOM 0 HA ALA A 64 3.323 0.161 -22.450 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.953 0.059 -24.309 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.608 0.933 -22.904 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.121 -0.740 -23.230 1.00 0.00 H new ATOM 948 N GLY A 65 2.304 -2.000 -23.076 1.00 0.00 N ATOM 949 CA GLY A 65 1.705 -3.219 -23.587 1.00 0.00 C ATOM 950 C GLY A 65 1.315 -4.181 -22.482 1.00 0.00 C ATOM 951 O GLY A 65 0.589 -5.147 -22.719 1.00 0.00 O ATOM 0 H GLY A 65 1.639 -1.271 -22.818 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.822 -2.968 -24.174 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.407 -3.710 -24.261 1.00 0.00 H new ATOM 955 N ILE A 66 1.800 -3.918 -21.273 1.00 0.00 N ATOM 956 CA ILE A 66 1.497 -4.768 -20.128 1.00 0.00 C ATOM 957 C ILE A 66 1.154 -3.934 -18.899 1.00 0.00 C ATOM 958 O ILE A 66 1.979 -3.163 -18.409 1.00 0.00 O ATOM 959 CB ILE A 66 2.678 -5.698 -19.790 1.00 0.00 C ATOM 960 CG1 ILE A 66 2.762 -6.841 -20.803 1.00 0.00 C ATOM 961 CG2 ILE A 66 2.534 -6.244 -18.377 1.00 0.00 C ATOM 962 CD1 ILE A 66 1.472 -7.619 -20.944 1.00 0.00 C ATOM 0 H ILE A 66 2.404 -3.124 -21.061 1.00 0.00 H new ATOM 0 HA ILE A 66 0.634 -5.374 -20.405 1.00 0.00 H new ATOM 0 HB ILE A 66 3.602 -5.122 -19.844 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.040 -6.434 -21.775 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.558 -7.523 -20.504 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.376 -6.899 -18.153 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.519 -5.417 -17.667 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.604 -6.807 -18.298 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.605 -8.413 -21.678 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.203 -8.055 -19.982 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.677 -6.949 -21.273 1.00 0.00 H new ATOM 974 N SER A 67 -0.070 -4.094 -18.405 1.00 0.00 N ATOM 975 CA SER A 67 -0.524 -3.353 -17.234 1.00 0.00 C ATOM 976 C SER A 67 -1.117 -4.297 -16.191 1.00 0.00 C ATOM 977 O SER A 67 -2.183 -4.876 -16.396 1.00 0.00 O ATOM 978 CB SER A 67 -1.562 -2.305 -17.638 1.00 0.00 C ATOM 979 OG SER A 67 -2.806 -2.910 -17.945 1.00 0.00 O ATOM 0 H SER A 67 -0.764 -4.730 -18.797 1.00 0.00 H new ATOM 0 HA SER A 67 0.338 -2.850 -16.796 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.693 -1.588 -16.828 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.202 -1.747 -18.503 1.00 0.00 H new ATOM 0 HG SER A 67 -2.768 -3.865 -17.728 1.00 0.00 H new ATOM 985 N LYS A 68 -0.417 -4.446 -15.072 1.00 0.00 N ATOM 986 CA LYS A 68 -0.872 -5.317 -13.995 1.00 0.00 C ATOM 987 C LYS A 68 -1.129 -4.518 -12.721 1.00 0.00 C ATOM 988 O LYS A 68 -0.616 -3.412 -12.557 1.00 0.00 O ATOM 989 CB LYS A 68 0.164 -6.410 -13.723 1.00 0.00 C ATOM 990 CG LYS A 68 0.123 -7.549 -14.728 1.00 0.00 C ATOM 991 CD LYS A 68 0.577 -8.858 -14.105 1.00 0.00 C ATOM 992 CE LYS A 68 0.250 -10.044 -14.999 1.00 0.00 C ATOM 993 NZ LYS A 68 -1.218 -10.208 -15.189 1.00 0.00 N ATOM 0 H LYS A 68 0.468 -3.974 -14.887 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.808 -5.781 -14.307 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.159 -5.966 -13.730 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.002 -6.812 -12.723 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.891 -7.660 -15.112 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.762 -7.309 -15.578 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.651 -8.823 -13.924 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.095 -8.988 -13.136 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.729 -9.910 -15.969 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.663 -10.953 -14.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.421 -11.179 -15.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.707 -10.023 -14.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.552 -9.536 -15.909 1.00 0.00 H new ATOM 1007 N GLU A 69 -1.925 -5.087 -11.821 1.00 0.00 N ATOM 1008 CA GLU A 69 -2.248 -4.427 -10.562 1.00 0.00 C ATOM 1009 C GLU A 69 -2.093 -5.390 -9.387 1.00 0.00 C ATOM 1010 O GLU A 69 -2.549 -6.533 -9.442 1.00 0.00 O ATOM 1011 CB GLU A 69 -3.676 -3.878 -10.600 1.00 0.00 C ATOM 1012 CG GLU A 69 -4.170 -3.374 -9.255 1.00 0.00 C ATOM 1013 CD GLU A 69 -5.684 -3.319 -9.172 1.00 0.00 C ATOM 1014 OE1 GLU A 69 -6.319 -4.394 -9.222 1.00 0.00 O ATOM 1015 OE2 GLU A 69 -6.232 -2.204 -9.059 1.00 0.00 O ATOM 0 H GLU A 69 -2.358 -6.003 -11.941 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.551 -3.600 -10.426 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.724 -3.064 -11.324 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.348 -4.660 -10.955 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.790 -4.023 -8.466 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.764 -2.379 -9.072 1.00 0.00 H new ATOM 1022 N LEU A 70 -1.447 -4.920 -8.326 1.00 0.00 N ATOM 1023 CA LEU A 70 -1.230 -5.738 -7.138 1.00 0.00 C ATOM 1024 C LEU A 70 -1.750 -5.032 -5.889 1.00 0.00 C ATOM 1025 O LEU A 70 -1.894 -3.809 -5.869 1.00 0.00 O ATOM 1026 CB LEU A 70 0.257 -6.055 -6.977 1.00 0.00 C ATOM 1027 CG LEU A 70 0.759 -7.307 -7.698 1.00 0.00 C ATOM 1028 CD1 LEU A 70 0.044 -8.544 -7.177 1.00 0.00 C ATOM 1029 CD2 LEU A 70 0.566 -7.170 -9.201 1.00 0.00 C ATOM 0 H LEU A 70 -1.064 -3.977 -8.264 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.782 -6.670 -7.263 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.831 -5.200 -7.334 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.472 -6.162 -5.914 1.00 0.00 H new ATOM 0 HG LEU A 70 1.825 -7.417 -7.498 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.413 -9.426 -7.701 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.233 -8.651 -6.109 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.028 -8.443 -7.347 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.929 -8.070 -9.698 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.493 -7.036 -9.421 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.124 -6.306 -9.562 1.00 0.00 H new ATOM 1041 N LEU A 71 -2.027 -5.810 -4.849 1.00 0.00 N ATOM 1042 CA LEU A 71 -2.529 -5.260 -3.594 1.00 0.00 C ATOM 1043 C LEU A 71 -1.998 -6.050 -2.403 1.00 0.00 C ATOM 1044 O LEU A 71 -2.269 -7.243 -2.267 1.00 0.00 O ATOM 1045 CB LEU A 71 -4.058 -5.268 -3.586 1.00 0.00 C ATOM 1046 CG LEU A 71 -4.730 -4.216 -2.703 1.00 0.00 C ATOM 1047 CD1 LEU A 71 -4.199 -4.295 -1.280 1.00 0.00 C ATOM 1048 CD2 LEU A 71 -4.518 -2.823 -3.277 1.00 0.00 C ATOM 0 H LEU A 71 -1.913 -6.824 -4.849 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.178 -4.232 -3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.407 -5.131 -4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.395 -6.253 -3.263 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.801 -4.419 -2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.689 -3.539 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.404 -5.284 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.123 -4.119 -1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.003 -2.087 -2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.450 -2.610 -3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.948 -2.772 -4.277 1.00 0.00 H new ATOM 1060 N GLU A 72 -1.243 -5.376 -1.541 1.00 0.00 N ATOM 1061 CA GLU A 72 -0.676 -6.016 -0.360 1.00 0.00 C ATOM 1062 C GLU A 72 -1.545 -5.759 0.868 1.00 0.00 C ATOM 1063 O GLU A 72 -2.247 -4.752 0.944 1.00 0.00 O ATOM 1064 CB GLU A 72 0.744 -5.507 -0.108 1.00 0.00 C ATOM 1065 CG GLU A 72 1.593 -6.455 0.722 1.00 0.00 C ATOM 1066 CD GLU A 72 1.250 -6.403 2.199 1.00 0.00 C ATOM 1067 OE1 GLU A 72 0.534 -5.467 2.610 1.00 0.00 O ATOM 1068 OE2 GLU A 72 1.699 -7.301 2.943 1.00 0.00 O ATOM 0 H GLU A 72 -1.010 -4.388 -1.638 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.642 -7.090 -0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.235 -5.337 -1.066 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.691 -4.543 0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.457 -7.473 0.357 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.646 -6.206 0.588 1.00 0.00 H new ATOM 1075 N GLU A 73 -1.492 -6.679 1.827 1.00 0.00 N ATOM 1076 CA GLU A 73 -2.275 -6.552 3.050 1.00 0.00 C ATOM 1077 C GLU A 73 -1.376 -6.620 4.281 1.00 0.00 C ATOM 1078 O GLU A 73 -0.770 -7.654 4.566 1.00 0.00 O ATOM 1079 CB GLU A 73 -3.336 -7.653 3.119 1.00 0.00 C ATOM 1080 CG GLU A 73 -4.201 -7.743 1.874 1.00 0.00 C ATOM 1081 CD GLU A 73 -5.484 -8.517 2.109 1.00 0.00 C ATOM 1082 OE1 GLU A 73 -6.062 -8.386 3.208 1.00 0.00 O ATOM 1083 OE2 GLU A 73 -5.908 -9.254 1.195 1.00 0.00 O ATOM 0 H GLU A 73 -0.916 -7.519 1.780 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.769 -5.581 3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.843 -8.612 3.279 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.976 -7.476 3.984 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.445 -6.737 1.533 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.634 -8.221 1.076 1.00 0.00 H new ATOM 1090 N VAL A 74 -1.293 -5.510 5.008 1.00 0.00 N ATOM 1091 CA VAL A 74 -0.468 -5.442 6.209 1.00 0.00 C ATOM 1092 C VAL A 74 -1.285 -4.980 7.411 1.00 0.00 C ATOM 1093 O VAL A 74 -2.142 -4.106 7.293 1.00 0.00 O ATOM 1094 CB VAL A 74 0.726 -4.489 6.016 1.00 0.00 C ATOM 1095 CG1 VAL A 74 1.921 -5.238 5.446 1.00 0.00 C ATOM 1096 CG2 VAL A 74 0.338 -3.324 5.118 1.00 0.00 C ATOM 0 H VAL A 74 -1.787 -4.646 4.786 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.093 -6.449 6.394 1.00 0.00 H new ATOM 0 HB VAL A 74 1.010 -4.089 6.989 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.755 -4.548 5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.212 -6.034 6.131 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.654 -5.669 4.481 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.194 -2.661 4.993 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.027 -3.703 4.145 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.485 -2.773 5.573 1.00 0.00 H new ATOM 1106 N GLY A 75 -1.012 -5.574 8.568 1.00 0.00 N ATOM 1107 CA GLY A 75 -1.729 -5.210 9.776 1.00 0.00 C ATOM 1108 C GLY A 75 -0.979 -4.192 10.612 1.00 0.00 C ATOM 1109 O GLY A 75 0.080 -3.711 10.211 1.00 0.00 O ATOM 0 H GLY A 75 -0.307 -6.301 8.691 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.705 -4.806 9.507 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.907 -6.105 10.372 1.00 0.00 H new ATOM 1113 N GLN A 76 -1.531 -3.861 11.775 1.00 0.00 N ATOM 1114 CA GLN A 76 -0.908 -2.891 12.667 1.00 0.00 C ATOM 1115 C GLN A 76 0.498 -3.336 13.058 1.00 0.00 C ATOM 1116 O GLN A 76 1.452 -2.566 12.963 1.00 0.00 O ATOM 1117 CB GLN A 76 -1.762 -2.697 13.921 1.00 0.00 C ATOM 1118 CG GLN A 76 -2.019 -3.985 14.687 1.00 0.00 C ATOM 1119 CD GLN A 76 -3.025 -3.807 15.807 1.00 0.00 C ATOM 1120 OE1 GLN A 76 -4.199 -4.148 15.663 1.00 0.00 O ATOM 1121 NE2 GLN A 76 -2.569 -3.270 16.933 1.00 0.00 N ATOM 0 H GLN A 76 -2.408 -4.250 12.121 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.835 -1.942 12.136 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.267 -1.984 14.581 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.717 -2.257 13.635 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.380 -4.748 13.997 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.080 -4.350 15.102 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -1.588 -3.002 17.009 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.200 -3.126 17.721 1.00 0.00 H new ATOM 1130 N ASN A 77 0.617 -4.584 13.500 1.00 0.00 N ATOM 1131 CA ASN A 77 1.906 -5.131 13.907 1.00 0.00 C ATOM 1132 C ASN A 77 2.764 -5.465 12.690 1.00 0.00 C ATOM 1133 O ASN A 77 2.812 -6.611 12.247 1.00 0.00 O ATOM 1134 CB ASN A 77 1.704 -6.384 14.762 1.00 0.00 C ATOM 1135 CG ASN A 77 2.898 -6.675 15.651 1.00 0.00 C ATOM 1136 OD1 ASN A 77 3.512 -5.762 16.204 1.00 0.00 O ATOM 1137 ND2 ASN A 77 3.233 -7.952 15.792 1.00 0.00 N ATOM 0 H ASN A 77 -0.163 -5.235 13.585 1.00 0.00 H new ATOM 0 HA ASN A 77 2.424 -4.375 14.498 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.815 -6.259 15.381 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.522 -7.239 14.111 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.028 -8.209 16.377 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.696 -8.676 15.315 1.00 0.00 H new ATOM 1144 N GLY A 78 3.440 -4.453 12.155 1.00 0.00 N ATOM 1145 CA GLY A 78 4.288 -4.659 10.995 1.00 0.00 C ATOM 1146 C GLY A 78 5.215 -3.488 10.738 1.00 0.00 C ATOM 1147 O GLY A 78 6.435 -3.647 10.711 1.00 0.00 O ATOM 0 H GLY A 78 3.416 -3.495 12.504 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.881 -5.563 11.138 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.663 -4.823 10.117 1.00 0.00 H new ATOM 1151 N SER A 79 4.635 -2.307 10.548 1.00 0.00 N ATOM 1152 CA SER A 79 5.417 -1.104 10.287 1.00 0.00 C ATOM 1153 C SER A 79 6.495 -1.374 9.241 1.00 0.00 C ATOM 1154 O SER A 79 7.546 -0.734 9.238 1.00 0.00 O ATOM 1155 CB SER A 79 6.060 -0.598 11.579 1.00 0.00 C ATOM 1156 OG SER A 79 6.776 0.604 11.355 1.00 0.00 O ATOM 0 H SER A 79 3.626 -2.158 10.570 1.00 0.00 H new ATOM 0 HA SER A 79 4.743 -0.339 9.901 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.289 -0.431 12.331 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.733 -1.358 11.976 1.00 0.00 H new ATOM 0 HG SER A 79 7.316 0.516 10.542 1.00 0.00 H new ATOM 1162 N ARG A 80 6.225 -2.327 8.354 1.00 0.00 N ATOM 1163 CA ARG A 80 7.172 -2.683 7.304 1.00 0.00 C ATOM 1164 C ARG A 80 6.523 -3.610 6.280 1.00 0.00 C ATOM 1165 O ARG A 80 5.765 -4.511 6.636 1.00 0.00 O ATOM 1166 CB ARG A 80 8.406 -3.356 7.907 1.00 0.00 C ATOM 1167 CG ARG A 80 9.214 -4.159 6.902 1.00 0.00 C ATOM 1168 CD ARG A 80 10.609 -4.466 7.425 1.00 0.00 C ATOM 1169 NE ARG A 80 10.636 -5.684 8.230 1.00 0.00 N ATOM 1170 CZ ARG A 80 10.323 -5.720 9.520 1.00 0.00 C ATOM 1171 NH1 ARG A 80 9.962 -4.610 10.149 1.00 0.00 N ATOM 1172 NH2 ARG A 80 10.372 -6.868 10.184 1.00 0.00 N ATOM 0 H ARG A 80 5.359 -2.866 8.342 1.00 0.00 H new ATOM 0 HA ARG A 80 7.478 -1.767 6.798 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.047 -2.592 8.348 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.091 -4.015 8.716 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.695 -5.091 6.678 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.289 -3.604 5.967 1.00 0.00 H new ATOM 0 HD2 ARG A 80 11.296 -4.571 6.585 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.964 -3.628 8.024 1.00 0.00 H new ATOM 0 HE ARG A 80 10.910 -6.555 7.776 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.924 -3.726 9.642 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.722 -4.640 11.140 1.00 0.00 H new ATOM 0 HH21 ARG A 80 10.650 -7.724 9.703 1.00 0.00 H new ATOM 0 HH22 ARG A 80 10.131 -6.895 11.175 1.00 0.00 H new ATOM 1186 N ALA A 81 6.828 -3.381 5.007 1.00 0.00 N ATOM 1187 CA ALA A 81 6.277 -4.196 3.931 1.00 0.00 C ATOM 1188 C ALA A 81 7.297 -4.396 2.816 1.00 0.00 C ATOM 1189 O ALA A 81 8.198 -3.578 2.631 1.00 0.00 O ATOM 1190 CB ALA A 81 5.010 -3.557 3.381 1.00 0.00 C ATOM 0 H ALA A 81 7.454 -2.638 4.696 1.00 0.00 H new ATOM 0 HA ALA A 81 6.029 -5.175 4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.609 -4.176 2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.270 -3.472 4.177 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.242 -2.565 2.993 1.00 0.00 H new ATOM 1196 N ARG A 82 7.150 -5.490 2.075 1.00 0.00 N ATOM 1197 CA ARG A 82 8.061 -5.799 0.979 1.00 0.00 C ATOM 1198 C ARG A 82 7.305 -6.399 -0.202 1.00 0.00 C ATOM 1199 O ARG A 82 6.323 -7.120 -0.022 1.00 0.00 O ATOM 1200 CB ARG A 82 9.148 -6.767 1.449 1.00 0.00 C ATOM 1201 CG ARG A 82 10.304 -6.905 0.472 1.00 0.00 C ATOM 1202 CD ARG A 82 11.586 -7.314 1.181 1.00 0.00 C ATOM 1203 NE ARG A 82 11.682 -8.762 1.346 1.00 0.00 N ATOM 1204 CZ ARG A 82 12.656 -9.362 2.020 1.00 0.00 C ATOM 1205 NH1 ARG A 82 13.613 -8.642 2.590 1.00 0.00 N ATOM 1206 NH2 ARG A 82 12.674 -10.685 2.127 1.00 0.00 N ATOM 0 H ARG A 82 6.409 -6.177 2.214 1.00 0.00 H new ATOM 0 HA ARG A 82 8.529 -4.870 0.654 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.534 -6.428 2.410 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.703 -7.748 1.613 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.054 -7.646 -0.287 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.459 -5.959 -0.046 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.445 -6.956 0.613 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.629 -6.834 2.159 1.00 0.00 H new ATOM 0 HE ARG A 82 10.961 -9.344 0.920 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.602 -7.625 2.511 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.360 -9.105 3.107 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.939 -11.242 1.691 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.423 -11.145 2.645 1.00 0.00 H new ATOM 1220 N ILE A 83 7.770 -6.098 -1.410 1.00 0.00 N ATOM 1221 CA ILE A 83 7.139 -6.608 -2.621 1.00 0.00 C ATOM 1222 C ILE A 83 8.178 -7.146 -3.598 1.00 0.00 C ATOM 1223 O ILE A 83 9.202 -6.509 -3.845 1.00 0.00 O ATOM 1224 CB ILE A 83 6.305 -5.520 -3.323 1.00 0.00 C ATOM 1225 CG1 ILE A 83 5.729 -4.545 -2.294 1.00 0.00 C ATOM 1226 CG2 ILE A 83 5.191 -6.153 -4.143 1.00 0.00 C ATOM 1227 CD1 ILE A 83 4.778 -3.530 -2.889 1.00 0.00 C ATOM 0 H ILE A 83 8.582 -5.503 -1.576 1.00 0.00 H new ATOM 0 HA ILE A 83 6.478 -7.419 -2.314 1.00 0.00 H new ATOM 0 HB ILE A 83 6.955 -4.964 -3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.207 -5.111 -1.522 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.549 -4.019 -1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.611 -5.371 -4.633 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.623 -6.811 -4.897 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.540 -6.731 -3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.409 -2.872 -2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.301 -2.939 -3.641 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.938 -4.047 -3.353 1.00 0.00 H new ATOM 1239 N SER A 84 7.907 -8.324 -4.152 1.00 0.00 N ATOM 1240 CA SER A 84 8.820 -8.949 -5.102 1.00 0.00 C ATOM 1241 C SER A 84 8.570 -8.434 -6.516 1.00 0.00 C ATOM 1242 O SER A 84 7.507 -8.663 -7.094 1.00 0.00 O ATOM 1243 CB SER A 84 8.663 -10.471 -5.066 1.00 0.00 C ATOM 1244 OG SER A 84 8.791 -10.966 -3.744 1.00 0.00 O ATOM 0 H SER A 84 7.063 -8.864 -3.959 1.00 0.00 H new ATOM 0 HA SER A 84 9.839 -8.688 -4.814 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.689 -10.749 -5.469 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.416 -10.933 -5.705 1.00 0.00 H new ATOM 0 HG SER A 84 8.685 -11.940 -3.748 1.00 0.00 H new ATOM 1250 N VAL A 85 9.557 -7.736 -7.068 1.00 0.00 N ATOM 1251 CA VAL A 85 9.447 -7.189 -8.415 1.00 0.00 C ATOM 1252 C VAL A 85 8.634 -8.110 -9.318 1.00 0.00 C ATOM 1253 O VAL A 85 9.107 -9.171 -9.725 1.00 0.00 O ATOM 1254 CB VAL A 85 10.834 -6.963 -9.045 1.00 0.00 C ATOM 1255 CG1 VAL A 85 10.696 -6.419 -10.459 1.00 0.00 C ATOM 1256 CG2 VAL A 85 11.665 -6.026 -8.182 1.00 0.00 C ATOM 0 H VAL A 85 10.442 -7.536 -6.603 1.00 0.00 H new ATOM 0 HA VAL A 85 8.937 -6.230 -8.326 1.00 0.00 H new ATOM 0 HB VAL A 85 11.350 -7.922 -9.100 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.686 -6.266 -10.888 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.142 -7.131 -11.070 1.00 0.00 H new ATOM 0 HG13 VAL A 85 10.161 -5.470 -10.433 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.642 -5.878 -8.642 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.156 -5.066 -8.093 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.793 -6.462 -7.191 1.00 0.00 H new ATOM 1266 N GLN A 86 7.409 -7.697 -9.627 1.00 0.00 N ATOM 1267 CA GLN A 86 6.530 -8.486 -10.482 1.00 0.00 C ATOM 1268 C GLN A 86 6.758 -8.152 -11.952 1.00 0.00 C ATOM 1269 O GLN A 86 6.502 -8.973 -12.833 1.00 0.00 O ATOM 1270 CB GLN A 86 5.067 -8.239 -10.111 1.00 0.00 C ATOM 1271 CG GLN A 86 4.763 -8.477 -8.641 1.00 0.00 C ATOM 1272 CD GLN A 86 4.522 -9.940 -8.323 1.00 0.00 C ATOM 1273 OE1 GLN A 86 4.414 -10.772 -9.224 1.00 0.00 O ATOM 1274 NE2 GLN A 86 4.438 -10.261 -7.038 1.00 0.00 N ATOM 0 H GLN A 86 7.003 -6.821 -9.298 1.00 0.00 H new ATOM 0 HA GLN A 86 6.763 -9.539 -10.327 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.805 -7.212 -10.366 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.433 -8.889 -10.714 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.594 -8.110 -8.038 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.884 -7.898 -8.358 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.534 -9.538 -6.325 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.278 -11.230 -6.764 1.00 0.00 H new ATOM 1283 N VAL A 87 7.240 -6.941 -12.211 1.00 0.00 N ATOM 1284 CA VAL A 87 7.503 -6.498 -13.575 1.00 0.00 C ATOM 1285 C VAL A 87 8.722 -5.583 -13.631 1.00 0.00 C ATOM 1286 O VAL A 87 8.928 -4.752 -12.747 1.00 0.00 O ATOM 1287 CB VAL A 87 6.290 -5.756 -14.168 1.00 0.00 C ATOM 1288 CG1 VAL A 87 6.706 -4.936 -15.380 1.00 0.00 C ATOM 1289 CG2 VAL A 87 5.190 -6.740 -14.532 1.00 0.00 C ATOM 0 H VAL A 87 7.456 -6.249 -11.494 1.00 0.00 H new ATOM 0 HA VAL A 87 7.697 -7.393 -14.166 1.00 0.00 H new ATOM 0 HB VAL A 87 5.900 -5.073 -13.414 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.836 -4.419 -15.785 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.458 -4.204 -15.084 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.123 -5.596 -16.141 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.341 -6.199 -14.949 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.566 -7.450 -15.269 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.873 -7.278 -13.639 1.00 0.00 H new ATOM 1299 N HIS A 88 9.527 -5.742 -14.677 1.00 0.00 N ATOM 1300 CA HIS A 88 10.726 -4.930 -14.849 1.00 0.00 C ATOM 1301 C HIS A 88 10.560 -3.958 -16.013 1.00 0.00 C ATOM 1302 O HIS A 88 9.786 -4.206 -16.936 1.00 0.00 O ATOM 1303 CB HIS A 88 11.944 -5.823 -15.084 1.00 0.00 C ATOM 1304 CG HIS A 88 12.446 -6.492 -13.841 1.00 0.00 C ATOM 1305 ND1 HIS A 88 12.172 -7.807 -13.531 1.00 0.00 N ATOM 1306 CD2 HIS A 88 13.210 -6.019 -12.829 1.00 0.00 C ATOM 1307 CE1 HIS A 88 12.744 -8.114 -12.381 1.00 0.00 C ATOM 1308 NE2 HIS A 88 13.381 -7.046 -11.934 1.00 0.00 N ATOM 0 H HIS A 88 9.371 -6.425 -15.418 1.00 0.00 H new ATOM 0 HA HIS A 88 10.879 -4.354 -13.936 1.00 0.00 H new ATOM 0 HB2 HIS A 88 11.688 -6.586 -15.819 1.00 0.00 H new ATOM 0 HB3 HIS A 88 12.747 -5.223 -15.513 1.00 0.00 H new ATOM 0 HD2 HIS A 88 13.611 -5.020 -12.742 1.00 0.00 H new ATOM 0 HE1 HIS A 88 12.699 -9.075 -11.889 1.00 0.00 H new ATOM 0 HE2 HIS A 88 13.913 -6.993 -11.065 1.00 0.00 H new ATOM 1317 N ASN A 89 11.294 -2.850 -15.962 1.00 0.00 N ATOM 1318 CA ASN A 89 11.227 -1.840 -17.012 1.00 0.00 C ATOM 1319 C ASN A 89 9.826 -1.245 -17.107 1.00 0.00 C ATOM 1320 O ASN A 89 9.332 -0.964 -18.198 1.00 0.00 O ATOM 1321 CB ASN A 89 11.628 -2.447 -18.358 1.00 0.00 C ATOM 1322 CG ASN A 89 11.911 -1.390 -19.408 1.00 0.00 C ATOM 1323 OD1 ASN A 89 11.414 -0.267 -19.323 1.00 0.00 O ATOM 1324 ND2 ASN A 89 12.712 -1.746 -20.406 1.00 0.00 N ATOM 0 H ASN A 89 11.941 -2.629 -15.205 1.00 0.00 H new ATOM 0 HA ASN A 89 11.924 -1.042 -16.758 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.514 -3.068 -18.224 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.830 -3.101 -18.711 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.938 -1.077 -21.142 1.00 0.00 H new ATOM 0 HD22 ASN A 89 13.102 -2.688 -20.436 1.00 0.00 H new ATOM 1331 N ALA A 90 9.190 -1.057 -15.955 1.00 0.00 N ATOM 1332 CA ALA A 90 7.847 -0.493 -15.907 1.00 0.00 C ATOM 1333 C ALA A 90 7.719 0.526 -14.780 1.00 0.00 C ATOM 1334 O ALA A 90 8.517 0.534 -13.841 1.00 0.00 O ATOM 1335 CB ALA A 90 6.816 -1.599 -15.740 1.00 0.00 C ATOM 0 H ALA A 90 9.584 -1.287 -15.043 1.00 0.00 H new ATOM 0 HA ALA A 90 7.662 0.022 -16.850 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.817 -1.163 -15.706 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.882 -2.288 -16.582 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.008 -2.139 -14.813 1.00 0.00 H new ATOM 1341 N THR A 91 6.711 1.387 -14.878 1.00 0.00 N ATOM 1342 CA THR A 91 6.480 2.412 -13.868 1.00 0.00 C ATOM 1343 C THR A 91 5.424 1.966 -12.863 1.00 0.00 C ATOM 1344 O THR A 91 4.244 1.855 -13.196 1.00 0.00 O ATOM 1345 CB THR A 91 6.034 3.741 -14.507 1.00 0.00 C ATOM 1346 OG1 THR A 91 5.151 3.484 -15.605 1.00 0.00 O ATOM 1347 CG2 THR A 91 7.235 4.538 -14.992 1.00 0.00 C ATOM 0 H THR A 91 6.041 1.395 -15.647 1.00 0.00 H new ATOM 0 HA THR A 91 7.428 2.565 -13.352 1.00 0.00 H new ATOM 0 HB THR A 91 5.512 4.326 -13.750 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.462 2.844 -15.328 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.895 5.472 -15.439 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.891 4.757 -14.149 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.781 3.957 -15.735 1.00 0.00 H new ATOM 1355 N CYS A 92 5.856 1.711 -11.632 1.00 0.00 N ATOM 1356 CA CYS A 92 4.947 1.276 -10.578 1.00 0.00 C ATOM 1357 C CYS A 92 4.663 2.413 -9.602 1.00 0.00 C ATOM 1358 O CYS A 92 5.566 3.157 -9.218 1.00 0.00 O ATOM 1359 CB CYS A 92 5.536 0.080 -9.829 1.00 0.00 C ATOM 1360 SG CYS A 92 4.366 -0.753 -8.731 1.00 0.00 S ATOM 0 H CYS A 92 6.829 1.798 -11.340 1.00 0.00 H new ATOM 0 HA CYS A 92 4.008 0.977 -11.043 1.00 0.00 H new ATOM 0 HB2 CYS A 92 5.912 -0.640 -10.555 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.391 0.417 -9.243 1.00 0.00 H new ATOM 0 HG CYS A 92 3.170 -0.287 -8.937 1.00 0.00 H new ATOM 1366 N THR A 93 3.401 2.544 -9.204 1.00 0.00 N ATOM 1367 CA THR A 93 2.997 3.591 -8.275 1.00 0.00 C ATOM 1368 C THR A 93 2.631 3.009 -6.915 1.00 0.00 C ATOM 1369 O THR A 93 1.671 2.248 -6.792 1.00 0.00 O ATOM 1370 CB THR A 93 1.798 4.392 -8.818 1.00 0.00 C ATOM 1371 OG1 THR A 93 1.980 4.663 -10.212 1.00 0.00 O ATOM 1372 CG2 THR A 93 1.632 5.700 -8.059 1.00 0.00 C ATOM 0 H THR A 93 2.641 1.937 -9.511 1.00 0.00 H new ATOM 0 HA THR A 93 3.850 4.260 -8.163 1.00 0.00 H new ATOM 0 HB THR A 93 0.898 3.794 -8.680 1.00 0.00 H new ATOM 0 HG1 THR A 93 1.213 5.171 -10.549 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.779 6.248 -8.460 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.463 5.489 -7.003 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.534 6.302 -8.169 1.00 0.00 H new ATOM 1380 N VAL A 94 3.401 3.371 -5.894 1.00 0.00 N ATOM 1381 CA VAL A 94 3.156 2.885 -4.541 1.00 0.00 C ATOM 1382 C VAL A 94 2.252 3.840 -3.770 1.00 0.00 C ATOM 1383 O VAL A 94 2.313 5.056 -3.956 1.00 0.00 O ATOM 1384 CB VAL A 94 4.473 2.702 -3.763 1.00 0.00 C ATOM 1385 CG1 VAL A 94 4.209 2.060 -2.410 1.00 0.00 C ATOM 1386 CG2 VAL A 94 5.459 1.873 -4.573 1.00 0.00 C ATOM 0 H VAL A 94 4.200 3.999 -5.978 1.00 0.00 H new ATOM 0 HA VAL A 94 2.662 1.918 -4.636 1.00 0.00 H new ATOM 0 HB VAL A 94 4.914 3.684 -3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.151 1.939 -1.875 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.541 2.696 -1.829 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.746 1.084 -2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.384 1.754 -4.009 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.029 0.892 -4.777 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.672 2.378 -5.515 1.00 0.00 H new ATOM 1396 N ARG A 95 1.414 3.282 -2.903 1.00 0.00 N ATOM 1397 CA ARG A 95 0.495 4.084 -2.103 1.00 0.00 C ATOM 1398 C ARG A 95 0.081 3.336 -0.839 1.00 0.00 C ATOM 1399 O ARG A 95 -0.361 2.188 -0.902 1.00 0.00 O ATOM 1400 CB ARG A 95 -0.744 4.448 -2.923 1.00 0.00 C ATOM 1401 CG ARG A 95 -0.506 5.572 -3.918 1.00 0.00 C ATOM 1402 CD ARG A 95 -1.815 6.093 -4.492 1.00 0.00 C ATOM 1403 NE ARG A 95 -2.424 7.106 -3.633 1.00 0.00 N ATOM 1404 CZ ARG A 95 -3.523 7.778 -3.956 1.00 0.00 C ATOM 1405 NH1 ARG A 95 -4.130 7.547 -5.112 1.00 0.00 N ATOM 1406 NH2 ARG A 95 -4.017 8.685 -3.122 1.00 0.00 N ATOM 0 H ARG A 95 1.352 2.278 -2.736 1.00 0.00 H new ATOM 0 HA ARG A 95 1.010 4.999 -1.811 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.086 3.564 -3.461 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.546 4.738 -2.245 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.028 6.386 -3.428 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.131 5.215 -4.727 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.635 6.516 -5.480 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.510 5.263 -4.623 1.00 0.00 H new ATOM 0 HE ARG A 95 -1.981 7.308 -2.737 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.753 6.852 -5.756 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.974 8.065 -5.357 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.552 8.866 -2.232 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.861 9.201 -3.371 1.00 0.00 H new ATOM 1420 N ILE A 96 0.226 3.994 0.306 1.00 0.00 N ATOM 1421 CA ILE A 96 -0.134 3.393 1.584 1.00 0.00 C ATOM 1422 C ILE A 96 -1.237 4.187 2.274 1.00 0.00 C ATOM 1423 O ILE A 96 -1.314 5.408 2.140 1.00 0.00 O ATOM 1424 CB ILE A 96 1.082 3.299 2.524 1.00 0.00 C ATOM 1425 CG1 ILE A 96 2.291 2.736 1.775 1.00 0.00 C ATOM 1426 CG2 ILE A 96 0.751 2.435 3.732 1.00 0.00 C ATOM 1427 CD1 ILE A 96 3.495 2.502 2.661 1.00 0.00 C ATOM 0 H ILE A 96 0.591 4.944 0.375 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.495 2.387 1.369 1.00 0.00 H new ATOM 0 HB ILE A 96 1.330 4.301 2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.009 1.795 1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.566 3.424 0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.620 2.378 4.387 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -0.085 2.875 4.276 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.481 1.433 3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 96 4.314 2.102 2.063 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.802 3.445 3.114 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.237 1.790 3.445 1.00 0.00 H new ATOM 1439 N ALA A 97 -2.088 3.486 3.016 1.00 0.00 N ATOM 1440 CA ALA A 97 -3.185 4.127 3.732 1.00 0.00 C ATOM 1441 C ALA A 97 -3.396 3.487 5.100 1.00 0.00 C ATOM 1442 O ALA A 97 -3.016 2.338 5.323 1.00 0.00 O ATOM 1443 CB ALA A 97 -4.464 4.056 2.911 1.00 0.00 C ATOM 0 H ALA A 97 -2.039 2.474 3.137 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.923 5.174 3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.274 4.538 3.458 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.314 4.566 1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.721 3.013 2.727 1.00 0.00 H new ATOM 1449 N ALA A 98 -4.003 4.238 6.012 1.00 0.00 N ATOM 1450 CA ALA A 98 -4.266 3.743 7.358 1.00 0.00 C ATOM 1451 C ALA A 98 -5.600 3.008 7.421 1.00 0.00 C ATOM 1452 O ALA A 98 -6.593 3.450 6.843 1.00 0.00 O ATOM 1453 CB ALA A 98 -4.245 4.891 8.356 1.00 0.00 C ATOM 0 H ALA A 98 -4.322 5.192 5.844 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.479 3.036 7.619 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.443 4.507 9.357 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -3.266 5.371 8.338 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.011 5.619 8.089 1.00 0.00 H new ATOM 1459 N VAL A 99 -5.617 1.882 8.128 1.00 0.00 N ATOM 1460 CA VAL A 99 -6.830 1.085 8.267 1.00 0.00 C ATOM 1461 C VAL A 99 -7.214 0.921 9.734 1.00 0.00 C ATOM 1462 O VAL A 99 -6.367 0.634 10.581 1.00 0.00 O ATOM 1463 CB VAL A 99 -6.662 -0.308 7.633 1.00 0.00 C ATOM 1464 CG1 VAL A 99 -7.737 -1.259 8.139 1.00 0.00 C ATOM 1465 CG2 VAL A 99 -6.698 -0.210 6.115 1.00 0.00 C ATOM 0 H VAL A 99 -4.804 1.501 8.613 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.623 1.620 7.744 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.691 -0.706 7.926 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.602 -2.238 7.680 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.660 -1.352 9.222 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.721 -0.868 7.878 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.578 -1.204 5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.654 0.209 5.800 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.888 0.435 5.773 1.00 0.00 H new ATOM 1475 N THR A 100 -8.498 1.104 10.028 1.00 0.00 N ATOM 1476 CA THR A 100 -8.995 0.976 11.392 1.00 0.00 C ATOM 1477 C THR A 100 -10.169 0.007 11.461 1.00 0.00 C ATOM 1478 O THR A 100 -10.540 -0.606 10.460 1.00 0.00 O ATOM 1479 CB THR A 100 -9.434 2.339 11.959 1.00 0.00 C ATOM 1480 OG1 THR A 100 -10.541 2.849 11.206 1.00 0.00 O ATOM 1481 CG2 THR A 100 -8.286 3.337 11.922 1.00 0.00 C ATOM 0 H THR A 100 -9.212 1.341 9.339 1.00 0.00 H new ATOM 0 HA THR A 100 -8.173 0.588 11.993 1.00 0.00 H new ATOM 0 HB THR A 100 -9.736 2.196 12.997 1.00 0.00 H new ATOM 0 HG1 THR A 100 -10.927 3.619 11.673 1.00 0.00 H new ATOM 0 HG21 THR A 100 -8.621 4.292 12.328 1.00 0.00 H new ATOM 0 HG22 THR A 100 -7.456 2.960 12.520 1.00 0.00 H new ATOM 0 HG23 THR A 100 -7.957 3.476 10.892 1.00 0.00 H new ATOM 1489 N ARG A 101 -10.751 -0.126 12.648 1.00 0.00 N ATOM 1490 CA ARG A 101 -11.884 -1.022 12.847 1.00 0.00 C ATOM 1491 C ARG A 101 -13.145 -0.455 12.202 1.00 0.00 C ATOM 1492 O ARG A 101 -14.208 -1.073 12.245 1.00 0.00 O ATOM 1493 CB ARG A 101 -12.122 -1.253 14.341 1.00 0.00 C ATOM 1494 CG ARG A 101 -11.275 -2.371 14.927 1.00 0.00 C ATOM 1495 CD ARG A 101 -11.927 -2.977 16.160 1.00 0.00 C ATOM 1496 NE ARG A 101 -13.147 -3.709 15.830 1.00 0.00 N ATOM 1497 CZ ARG A 101 -13.787 -4.496 16.688 1.00 0.00 C ATOM 1498 NH1 ARG A 101 -13.325 -4.651 17.921 1.00 0.00 N ATOM 1499 NH2 ARG A 101 -14.891 -5.129 16.314 1.00 0.00 N ATOM 0 H ARG A 101 -10.457 0.375 13.486 1.00 0.00 H new ATOM 0 HA ARG A 101 -11.650 -1.975 12.371 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -11.913 -0.329 14.881 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -13.175 -1.484 14.501 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -11.124 -3.146 14.176 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -10.290 -1.984 15.188 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.222 -3.649 16.649 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -12.160 -2.186 16.873 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.529 -3.611 14.889 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -12.477 -4.166 18.213 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -13.818 -5.256 18.578 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -15.250 -5.012 15.366 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -15.381 -5.733 16.974 1.00 0.00 H new ATOM 1513 N GLY A 102 -13.019 0.726 11.605 1.00 0.00 N ATOM 1514 CA GLY A 102 -14.156 1.357 10.960 1.00 0.00 C ATOM 1515 C GLY A 102 -14.102 1.243 9.449 1.00 0.00 C ATOM 1516 O GLY A 102 -15.055 0.784 8.820 1.00 0.00 O ATOM 0 H GLY A 102 -12.150 1.257 11.556 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.076 0.899 11.323 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.191 2.410 11.241 1.00 0.00 H new ATOM 1520 N GLY A 103 -12.984 1.663 8.865 1.00 0.00 N ATOM 1521 CA GLY A 103 -12.832 1.599 7.423 1.00 0.00 C ATOM 1522 C GLY A 103 -11.400 1.824 6.980 1.00 0.00 C ATOM 1523 O GLY A 103 -10.467 1.664 7.767 1.00 0.00 O ATOM 0 H GLY A 103 -12.181 2.046 9.364 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -13.170 0.625 7.068 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -13.474 2.348 6.960 1.00 0.00 H new ATOM 1527 N VAL A 104 -11.224 2.195 5.716 1.00 0.00 N ATOM 1528 CA VAL A 104 -9.895 2.442 5.170 1.00 0.00 C ATOM 1529 C VAL A 104 -9.715 3.912 4.806 1.00 0.00 C ATOM 1530 O VAL A 104 -10.465 4.459 3.999 1.00 0.00 O ATOM 1531 CB VAL A 104 -9.633 1.579 3.921 1.00 0.00 C ATOM 1532 CG1 VAL A 104 -10.537 2.008 2.776 1.00 0.00 C ATOM 1533 CG2 VAL A 104 -8.169 1.663 3.515 1.00 0.00 C ATOM 0 H VAL A 104 -11.985 2.331 5.051 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.178 2.173 5.946 1.00 0.00 H new ATOM 0 HB VAL A 104 -9.862 0.541 4.163 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.337 1.387 1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.579 1.893 3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.343 3.052 2.531 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.001 1.048 2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.912 2.698 3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.544 1.303 4.332 1.00 0.00 H new ATOM 1543 N GLY A 105 -8.713 4.546 5.408 1.00 0.00 N ATOM 1544 CA GLY A 105 -8.452 5.947 5.134 1.00 0.00 C ATOM 1545 C GLY A 105 -7.911 6.174 3.736 1.00 0.00 C ATOM 1546 O GLY A 105 -7.643 5.231 2.991 1.00 0.00 O ATOM 0 H GLY A 105 -8.078 4.115 6.080 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.373 6.516 5.261 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -7.738 6.330 5.863 1.00 0.00 H new ATOM 1550 N PRO A 106 -7.745 7.451 3.362 1.00 0.00 N ATOM 1551 CA PRO A 106 -7.232 7.828 2.041 1.00 0.00 C ATOM 1552 C PRO A 106 -5.756 7.484 1.872 1.00 0.00 C ATOM 1553 O PRO A 106 -4.955 7.678 2.786 1.00 0.00 O ATOM 1554 CB PRO A 106 -7.435 9.345 2.002 1.00 0.00 C ATOM 1555 CG PRO A 106 -7.432 9.765 3.431 1.00 0.00 C ATOM 1556 CD PRO A 106 -8.043 8.625 4.199 1.00 0.00 C ATOM 0 HA PRO A 106 -7.742 7.295 1.239 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -6.639 9.837 1.443 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.374 9.606 1.515 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -6.418 9.969 3.776 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.006 10.681 3.570 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.606 8.531 5.193 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -9.116 8.761 4.334 1.00 0.00 H new ATOM 1564 N PHE A 107 -5.404 6.972 0.697 1.00 0.00 N ATOM 1565 CA PHE A 107 -4.024 6.600 0.408 1.00 0.00 C ATOM 1566 C PHE A 107 -3.126 7.833 0.366 1.00 0.00 C ATOM 1567 O PHE A 107 -3.576 8.931 0.039 1.00 0.00 O ATOM 1568 CB PHE A 107 -3.943 5.850 -0.923 1.00 0.00 C ATOM 1569 CG PHE A 107 -4.513 4.462 -0.864 1.00 0.00 C ATOM 1570 CD1 PHE A 107 -5.880 4.264 -0.757 1.00 0.00 C ATOM 1571 CD2 PHE A 107 -3.681 3.355 -0.916 1.00 0.00 C ATOM 1572 CE1 PHE A 107 -6.407 2.987 -0.702 1.00 0.00 C ATOM 1573 CE2 PHE A 107 -4.202 2.076 -0.862 1.00 0.00 C ATOM 1574 CZ PHE A 107 -5.567 1.892 -0.755 1.00 0.00 C ATOM 0 H PHE A 107 -6.055 6.805 -0.070 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.676 5.945 1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.474 6.420 -1.685 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.900 5.793 -1.236 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -6.541 5.117 -0.716 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.613 3.493 -1.000 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -7.474 2.846 -0.618 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.543 1.221 -0.903 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.977 0.894 -0.713 1.00 0.00 H new ATOM 1584 N SER A 108 -1.853 7.643 0.698 1.00 0.00 N ATOM 1585 CA SER A 108 -0.892 8.740 0.703 1.00 0.00 C ATOM 1586 C SER A 108 -0.547 9.165 -0.721 1.00 0.00 C ATOM 1587 O SER A 108 -1.121 8.662 -1.688 1.00 0.00 O ATOM 1588 CB SER A 108 0.380 8.328 1.446 1.00 0.00 C ATOM 1589 OG SER A 108 0.941 7.153 0.886 1.00 0.00 O ATOM 0 H SER A 108 -1.463 6.740 0.967 1.00 0.00 H new ATOM 0 HA SER A 108 -1.347 9.587 1.217 1.00 0.00 H new ATOM 0 HB2 SER A 108 1.108 9.138 1.403 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.152 8.160 2.498 1.00 0.00 H new ATOM 0 HG SER A 108 1.656 6.822 1.469 1.00 0.00 H new ATOM 1595 N ASP A 109 0.394 10.095 -0.843 1.00 0.00 N ATOM 1596 CA ASP A 109 0.817 10.589 -2.148 1.00 0.00 C ATOM 1597 C ASP A 109 1.361 9.453 -3.008 1.00 0.00 C ATOM 1598 O ASP A 109 2.078 8.571 -2.535 1.00 0.00 O ATOM 1599 CB ASP A 109 1.881 11.676 -1.985 1.00 0.00 C ATOM 1600 CG ASP A 109 2.687 11.891 -3.251 1.00 0.00 C ATOM 1601 OD1 ASP A 109 2.250 12.690 -4.105 1.00 0.00 O ATOM 1602 OD2 ASP A 109 3.757 11.260 -3.386 1.00 0.00 O ATOM 0 H ASP A 109 0.878 10.522 -0.053 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.053 11.015 -2.648 1.00 0.00 H new ATOM 0 HB2 ASP A 109 1.400 12.612 -1.701 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.553 11.403 -1.172 1.00 0.00 H new ATOM 1607 N PRO A 110 1.013 9.472 -4.303 1.00 0.00 N ATOM 1608 CA PRO A 110 1.455 8.450 -5.257 1.00 0.00 C ATOM 1609 C PRO A 110 2.947 8.542 -5.556 1.00 0.00 C ATOM 1610 O PRO A 110 3.445 9.593 -5.962 1.00 0.00 O ATOM 1611 CB PRO A 110 0.638 8.760 -6.514 1.00 0.00 C ATOM 1612 CG PRO A 110 0.313 10.210 -6.406 1.00 0.00 C ATOM 1613 CD PRO A 110 0.162 10.493 -4.937 1.00 0.00 C ATOM 0 HA PRO A 110 1.304 7.442 -4.872 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.208 8.548 -7.419 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.267 8.154 -6.558 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.104 10.821 -6.842 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.605 10.445 -6.945 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.490 11.502 -4.686 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.876 10.407 -4.616 1.00 0.00 H new ATOM 1621 N VAL A 111 3.657 7.437 -5.353 1.00 0.00 N ATOM 1622 CA VAL A 111 5.092 7.393 -5.602 1.00 0.00 C ATOM 1623 C VAL A 111 5.408 6.592 -6.860 1.00 0.00 C ATOM 1624 O VAL A 111 5.253 5.370 -6.887 1.00 0.00 O ATOM 1625 CB VAL A 111 5.850 6.777 -4.411 1.00 0.00 C ATOM 1626 CG1 VAL A 111 7.181 6.199 -4.867 1.00 0.00 C ATOM 1627 CG2 VAL A 111 6.057 7.815 -3.318 1.00 0.00 C ATOM 0 H VAL A 111 3.261 6.559 -5.016 1.00 0.00 H new ATOM 0 HA VAL A 111 5.421 8.423 -5.739 1.00 0.00 H new ATOM 0 HB VAL A 111 5.250 5.965 -4.001 1.00 0.00 H new ATOM 0 HG11 VAL A 111 7.703 5.768 -4.012 1.00 0.00 H new ATOM 0 HG12 VAL A 111 7.005 5.424 -5.613 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.791 6.990 -5.303 1.00 0.00 H new ATOM 0 HG21 VAL A 111 6.594 7.363 -2.484 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.637 8.649 -3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 111 5.089 8.177 -2.972 1.00 0.00 H new ATOM 1637 N LYS A 112 5.851 7.286 -7.902 1.00 0.00 N ATOM 1638 CA LYS A 112 6.191 6.641 -9.165 1.00 0.00 C ATOM 1639 C LYS A 112 7.638 6.158 -9.157 1.00 0.00 C ATOM 1640 O LYS A 112 8.568 6.954 -9.284 1.00 0.00 O ATOM 1641 CB LYS A 112 5.971 7.607 -10.331 1.00 0.00 C ATOM 1642 CG LYS A 112 6.429 7.057 -11.671 1.00 0.00 C ATOM 1643 CD LYS A 112 6.305 8.097 -12.772 1.00 0.00 C ATOM 1644 CE LYS A 112 4.918 8.086 -13.396 1.00 0.00 C ATOM 1645 NZ LYS A 112 4.862 8.906 -14.638 1.00 0.00 N ATOM 0 H LYS A 112 5.983 8.297 -7.897 1.00 0.00 H new ATOM 0 HA LYS A 112 5.538 5.777 -9.290 1.00 0.00 H new ATOM 0 HB2 LYS A 112 4.911 7.854 -10.392 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.504 8.536 -10.128 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.465 6.728 -11.595 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.834 6.181 -11.928 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.514 9.086 -12.365 1.00 0.00 H new ATOM 0 HD3 LYS A 112 7.053 7.905 -13.541 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.631 7.060 -13.625 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.193 8.467 -12.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.900 8.873 -15.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 5.111 9.891 -14.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 5.535 8.528 -15.334 1.00 0.00 H new ATOM 1659 N ILE A 113 7.819 4.850 -9.009 1.00 0.00 N ATOM 1660 CA ILE A 113 9.153 4.262 -8.987 1.00 0.00 C ATOM 1661 C ILE A 113 9.501 3.641 -10.336 1.00 0.00 C ATOM 1662 O ILE A 113 8.679 2.960 -10.949 1.00 0.00 O ATOM 1663 CB ILE A 113 9.276 3.186 -7.892 1.00 0.00 C ATOM 1664 CG1 ILE A 113 10.669 2.553 -7.923 1.00 0.00 C ATOM 1665 CG2 ILE A 113 8.201 2.124 -8.069 1.00 0.00 C ATOM 1666 CD1 ILE A 113 11.698 3.316 -7.119 1.00 0.00 C ATOM 0 H ILE A 113 7.059 4.178 -8.903 1.00 0.00 H new ATOM 0 HA ILE A 113 9.851 5.070 -8.770 1.00 0.00 H new ATOM 0 HB ILE A 113 9.134 3.659 -6.920 1.00 0.00 H new ATOM 0 HG12 ILE A 113 10.605 1.534 -7.542 1.00 0.00 H new ATOM 0 HG13 ILE A 113 11.005 2.485 -8.958 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.301 1.371 -7.287 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.217 2.588 -8.002 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.313 1.652 -9.045 1.00 0.00 H new ATOM 0 HD11 ILE A 113 12.661 2.810 -7.187 1.00 0.00 H new ATOM 0 HD12 ILE A 113 11.791 4.328 -7.514 1.00 0.00 H new ATOM 0 HD13 ILE A 113 11.384 3.361 -6.076 1.00 0.00 H new ATOM 1678 N PHE A 114 10.727 3.878 -10.791 1.00 0.00 N ATOM 1679 CA PHE A 114 11.186 3.341 -12.067 1.00 0.00 C ATOM 1680 C PHE A 114 11.873 1.992 -11.874 1.00 0.00 C ATOM 1681 O PHE A 114 12.916 1.903 -11.224 1.00 0.00 O ATOM 1682 CB PHE A 114 12.145 4.323 -12.743 1.00 0.00 C ATOM 1683 CG PHE A 114 13.084 3.670 -13.716 1.00 0.00 C ATOM 1684 CD1 PHE A 114 12.689 3.422 -15.021 1.00 0.00 C ATOM 1685 CD2 PHE A 114 14.363 3.305 -13.326 1.00 0.00 C ATOM 1686 CE1 PHE A 114 13.552 2.821 -15.917 1.00 0.00 C ATOM 1687 CE2 PHE A 114 15.230 2.703 -14.219 1.00 0.00 C ATOM 1688 CZ PHE A 114 14.824 2.462 -15.516 1.00 0.00 C ATOM 0 H PHE A 114 11.420 4.438 -10.295 1.00 0.00 H new ATOM 0 HA PHE A 114 10.315 3.197 -12.706 1.00 0.00 H new ATOM 0 HB2 PHE A 114 11.565 5.084 -13.265 1.00 0.00 H new ATOM 0 HB3 PHE A 114 12.727 4.836 -11.977 1.00 0.00 H new ATOM 0 HD1 PHE A 114 11.696 3.701 -15.341 1.00 0.00 H new ATOM 0 HD2 PHE A 114 14.686 3.493 -12.313 1.00 0.00 H new ATOM 0 HE1 PHE A 114 13.232 2.632 -16.931 1.00 0.00 H new ATOM 0 HE2 PHE A 114 16.223 2.422 -13.902 1.00 0.00 H new ATOM 0 HZ PHE A 114 15.500 1.993 -16.216 1.00 0.00 H new ATOM 1698 N ILE A 115 11.282 0.947 -12.442 1.00 0.00 N ATOM 1699 CA ILE A 115 11.837 -0.396 -12.333 1.00 0.00 C ATOM 1700 C ILE A 115 12.808 -0.684 -13.473 1.00 0.00 C ATOM 1701 O ILE A 115 12.415 -0.861 -14.627 1.00 0.00 O ATOM 1702 CB ILE A 115 10.729 -1.466 -12.335 1.00 0.00 C ATOM 1703 CG1 ILE A 115 9.533 -0.994 -11.505 1.00 0.00 C ATOM 1704 CG2 ILE A 115 11.265 -2.785 -11.799 1.00 0.00 C ATOM 1705 CD1 ILE A 115 9.787 -1.012 -10.014 1.00 0.00 C ATOM 0 H ILE A 115 10.419 1.004 -12.982 1.00 0.00 H new ATOM 0 HA ILE A 115 12.371 -0.440 -11.384 1.00 0.00 H new ATOM 0 HB ILE A 115 10.397 -1.622 -13.361 1.00 0.00 H new ATOM 0 HG12 ILE A 115 9.268 0.019 -11.808 1.00 0.00 H new ATOM 0 HG13 ILE A 115 8.674 -1.628 -11.727 1.00 0.00 H new ATOM 0 HG21 ILE A 115 10.470 -3.531 -11.807 1.00 0.00 H new ATOM 0 HG22 ILE A 115 12.088 -3.125 -12.427 1.00 0.00 H new ATOM 0 HG23 ILE A 115 11.621 -2.645 -10.778 1.00 0.00 H new ATOM 0 HD11 ILE A 115 8.897 -0.665 -9.489 1.00 0.00 H new ATOM 0 HD12 ILE A 115 10.022 -2.028 -9.697 1.00 0.00 H new ATOM 0 HD13 ILE A 115 10.625 -0.356 -9.780 1.00 0.00 H new ATOM 1717 N PRO A 116 14.108 -0.735 -13.146 1.00 0.00 N ATOM 1718 CA PRO A 116 15.162 -1.004 -14.128 1.00 0.00 C ATOM 1719 C PRO A 116 15.132 -2.443 -14.631 1.00 0.00 C ATOM 1720 O PRO A 116 14.968 -3.380 -13.851 1.00 0.00 O ATOM 1721 CB PRO A 116 16.451 -0.737 -13.347 1.00 0.00 C ATOM 1722 CG PRO A 116 16.084 -0.962 -11.921 1.00 0.00 C ATOM 1723 CD PRO A 116 14.648 -0.534 -11.791 1.00 0.00 C ATOM 0 HA PRO A 116 15.054 -0.389 -15.021 1.00 0.00 H new ATOM 0 HB2 PRO A 116 17.250 -1.409 -13.661 1.00 0.00 H new ATOM 0 HB3 PRO A 116 16.808 0.280 -13.508 1.00 0.00 H new ATOM 0 HG2 PRO A 116 16.205 -2.010 -11.647 1.00 0.00 H new ATOM 0 HG3 PRO A 116 16.726 -0.383 -11.257 1.00 0.00 H new ATOM 0 HD2 PRO A 116 14.115 -1.134 -11.053 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.566 0.506 -11.476 1.00 0.00 H new ATOM 1731 N ALA A 117 15.293 -2.611 -15.940 1.00 0.00 N ATOM 1732 CA ALA A 117 15.287 -3.936 -16.546 1.00 0.00 C ATOM 1733 C ALA A 117 16.332 -4.840 -15.902 1.00 0.00 C ATOM 1734 O ALA A 117 17.257 -4.364 -15.243 1.00 0.00 O ATOM 1735 CB ALA A 117 15.528 -3.832 -18.045 1.00 0.00 C ATOM 0 H ALA A 117 15.429 -1.846 -16.600 1.00 0.00 H new ATOM 0 HA ALA A 117 14.306 -4.381 -16.376 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.521 -4.829 -18.485 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.741 -3.230 -18.499 1.00 0.00 H new ATOM 0 HB3 ALA A 117 16.495 -3.362 -18.226 1.00 0.00 H new