USER MOD reduce.3.24.130724 H: found=0, std=0, add=895, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 893 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 127 GLN : amide:sc= -0.478 X(o=-6.6,f=-6.6) USER MOD Set 1.2: A 129 HIS :FLIP no HE2:sc= -6.13! C(o=-9.7!,f=-6.6!) USER MOD Set 2.1: A 101 LYS NZ :NH3+ 162:sc= 0.661 (180deg=0) USER MOD Set 2.2: A 103 ASN :FLIP amide:sc= 0.201 F(o=-4,f=0.28) USER MOD Set 2.3: A 110 THR OG1 : rot -3:sc= -0.579! USER MOD Set 3.1: A 100 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 125 THR OG1 : rot 180:sc=-0.00937 USER MOD Set 4.1: A 29 HIS :FLIP no HE2:sc= -0.217 F(o=-5,f=1.1) USER MOD Set 4.2: A 102 TYR OH : rot 146:sc= 1.27 USER MOD Set 5.1: A 19 ASN : amide:sc= -1.81 K(o=-22,f=-26!) USER MOD Set 5.2: A 55 HIS : no HE2:sc= -13.6! C(o=-22!,f=-24!) USER MOD Set 5.3: A 119 MET CE :methyl -179:sc= -6.18! (180deg=-2.51!) USER MOD Single : A 18 SER OG : rot -35:sc= 0.23 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= -2.85! C(o=-2.8!,f=-2.4!) USER MOD Single : A 25 ASN : amide:sc= -0.149 K(o=-0.15,f=-2.1!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 64:sc= -0.38 USER MOD Single : A 31 CYS SG : rot 98:sc= 0.0136 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.86 X(o=-1.9,f=-2.3) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.0297 F(o=-0.94,f=-0.03) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.785 K(o=0.78,f=-0.83) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 80:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -159:sc= -0.0223 (180deg=-0.266) USER MOD Single : A 54 ASN : amide:sc= -0.267 K(o=-0.27,f=-2.8!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 0:sc= -1.13 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.00783 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl -156:sc= -0.654 (180deg=-1.9!) USER MOD Single : A 104 SER OG : rot 41:sc= 0.0877 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl -176:sc= -0.33 (180deg=-0.377) USER MOD Single : A 118 SER OG : rot 180:sc= 0.0143 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 238 N SER A 18 3.169 4.391 -14.318 1.00 0.00 N ATOM 239 CA SER A 18 2.864 4.640 -12.919 1.00 0.00 C ATOM 240 C SER A 18 1.891 3.579 -12.399 1.00 0.00 C ATOM 241 O SER A 18 0.954 3.195 -13.098 1.00 0.00 O ATOM 242 CB SER A 18 2.277 6.039 -12.724 1.00 0.00 C ATOM 243 OG SER A 18 1.314 6.359 -13.724 1.00 0.00 O ATOM 0 HA SER A 18 3.792 4.583 -12.351 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.813 6.103 -11.740 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.080 6.775 -12.746 1.00 0.00 H new ATOM 0 HG SER A 18 1.585 5.962 -14.578 1.00 0.00 H new ATOM 249 N ASN A 19 2.146 3.136 -11.176 1.00 0.00 N ATOM 250 CA ASN A 19 1.305 2.128 -10.555 1.00 0.00 C ATOM 251 C ASN A 19 0.317 2.809 -9.605 1.00 0.00 C ATOM 252 O ASN A 19 0.229 2.448 -8.433 1.00 0.00 O ATOM 253 CB ASN A 19 2.140 1.140 -9.739 1.00 0.00 C ATOM 254 CG ASN A 19 3.046 1.875 -8.748 1.00 0.00 C ATOM 255 OD1 ASN A 19 4.017 2.517 -9.113 1.00 0.00 O ATOM 256 ND2 ASN A 19 2.674 1.745 -7.478 1.00 0.00 N ATOM 0 H ASN A 19 2.923 3.457 -10.599 1.00 0.00 H new ATOM 0 HA ASN A 19 0.783 1.591 -11.347 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.481 0.460 -9.199 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.747 0.531 -10.409 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.213 2.198 -6.740 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.850 1.192 -7.242 1.00 0.00 H new ATOM 263 N LYS A 20 -0.400 3.782 -10.147 1.00 0.00 N ATOM 264 CA LYS A 20 -1.378 4.517 -9.362 1.00 0.00 C ATOM 265 C LYS A 20 -2.708 3.761 -9.374 1.00 0.00 C ATOM 266 O LYS A 20 -3.314 3.547 -8.326 1.00 0.00 O ATOM 267 CB LYS A 20 -1.487 5.961 -9.857 1.00 0.00 C ATOM 268 CG LYS A 20 -2.761 6.626 -9.333 1.00 0.00 C ATOM 269 CD LYS A 20 -2.977 7.991 -9.988 1.00 0.00 C ATOM 270 CE LYS A 20 -2.270 9.096 -9.199 1.00 0.00 C ATOM 271 NZ LYS A 20 -1.625 10.058 -10.120 1.00 0.00 N ATOM 0 H LYS A 20 -0.324 4.079 -11.120 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.058 4.584 -8.322 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.616 6.528 -9.530 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.486 5.977 -10.947 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.619 5.984 -9.532 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.695 6.744 -8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.600 7.971 -11.011 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.044 8.206 -10.046 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.989 9.616 -8.566 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.522 8.658 -8.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.150 10.801 -9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.925 9.561 -10.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.346 10.489 -10.733 1.00 0.00 H new ATOM 285 N PHE A 21 -3.122 3.376 -10.573 1.00 0.00 N ATOM 286 CA PHE A 21 -4.369 2.648 -10.735 1.00 0.00 C ATOM 287 C PHE A 21 -4.289 1.269 -10.078 1.00 0.00 C ATOM 288 O PHE A 21 -5.314 0.652 -9.793 1.00 0.00 O ATOM 289 CB PHE A 21 -4.591 2.471 -12.239 1.00 0.00 C ATOM 290 CG PHE A 21 -5.025 3.749 -12.958 1.00 0.00 C ATOM 291 CD1 PHE A 21 -6.298 4.209 -12.821 1.00 0.00 C ATOM 292 CD2 PHE A 21 -4.138 4.427 -13.736 1.00 0.00 C ATOM 293 CE1 PHE A 21 -6.701 5.395 -13.489 1.00 0.00 C ATOM 294 CE2 PHE A 21 -4.541 5.613 -14.404 1.00 0.00 C ATOM 295 CZ PHE A 21 -5.814 6.072 -14.267 1.00 0.00 C ATOM 0 H PHE A 21 -2.616 3.555 -11.441 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.184 3.198 -10.265 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.669 2.107 -12.692 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.348 1.703 -12.396 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.002 3.671 -12.204 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.127 4.063 -13.845 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.712 5.760 -13.380 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.837 6.151 -15.021 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.121 6.974 -14.776 1.00 0.00 H new ATOM 305 N ILE A 22 -3.060 0.826 -9.856 1.00 0.00 N ATOM 306 CA ILE A 22 -2.832 -0.469 -9.237 1.00 0.00 C ATOM 307 C ILE A 22 -3.002 -0.343 -7.722 1.00 0.00 C ATOM 308 O ILE A 22 -3.354 -1.311 -7.050 1.00 0.00 O ATOM 309 CB ILE A 22 -1.474 -1.033 -9.658 1.00 0.00 C ATOM 310 CG1 ILE A 22 -1.338 -1.055 -11.182 1.00 0.00 C ATOM 311 CG2 ILE A 22 -1.237 -2.413 -9.041 1.00 0.00 C ATOM 312 CD1 ILE A 22 0.113 -1.305 -11.600 1.00 0.00 C ATOM 0 H ILE A 22 -2.212 1.341 -10.094 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.572 -1.191 -9.582 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.697 -0.372 -9.275 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.979 -1.833 -11.597 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.681 -0.106 -11.595 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.264 -2.791 -9.357 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.260 -2.334 -7.954 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.017 -3.098 -9.372 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.182 -1.316 -12.688 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.747 -0.512 -11.204 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.445 -2.266 -11.206 1.00 0.00 H new ATOM 324 N ILE A 23 -2.745 0.860 -7.228 1.00 0.00 N ATOM 325 CA ILE A 23 -2.865 1.125 -5.804 1.00 0.00 C ATOM 326 C ILE A 23 -4.296 1.567 -5.492 1.00 0.00 C ATOM 327 O ILE A 23 -4.858 1.184 -4.466 1.00 0.00 O ATOM 328 CB ILE A 23 -1.800 2.128 -5.355 1.00 0.00 C ATOM 329 CG1 ILE A 23 -0.397 1.533 -5.486 1.00 0.00 C ATOM 330 CG2 ILE A 23 -2.081 2.626 -3.935 1.00 0.00 C ATOM 331 CD1 ILE A 23 -0.313 0.169 -4.797 1.00 0.00 C ATOM 0 H ILE A 23 -2.454 1.661 -7.788 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.678 0.218 -5.230 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.845 2.994 -6.016 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.139 1.428 -6.540 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.333 2.212 -5.045 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.310 3.337 -3.640 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.055 3.114 -3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.078 1.781 -3.246 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.695 -0.232 -4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.547 0.281 -3.738 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.027 -0.515 -5.256 1.00 0.00 H new ATOM 343 N HIS A 24 -4.846 2.366 -6.394 1.00 0.00 N ATOM 344 CA HIS A 24 -6.201 2.863 -6.228 1.00 0.00 C ATOM 345 C HIS A 24 -7.130 1.707 -5.851 1.00 0.00 C ATOM 346 O HIS A 24 -8.132 1.908 -5.167 1.00 0.00 O ATOM 347 CB HIS A 24 -6.663 3.611 -7.480 1.00 0.00 C ATOM 348 CG HIS A 24 -7.306 4.947 -7.195 1.00 0.00 C ATOM 349 ND1 HIS A 24 -8.674 5.107 -7.058 1.00 0.00 N ATOM 350 CD2 HIS A 24 -6.755 6.183 -7.022 1.00 0.00 C ATOM 351 CE1 HIS A 24 -8.924 6.385 -6.814 1.00 0.00 C ATOM 352 NE2 HIS A 24 -7.733 7.050 -6.793 1.00 0.00 N ATOM 0 H HIS A 24 -4.377 2.682 -7.243 1.00 0.00 H new ATOM 0 HA HIS A 24 -6.229 3.586 -5.413 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.806 3.764 -8.136 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.372 2.986 -8.023 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.701 6.416 -7.064 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.899 6.823 -6.659 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.614 8.050 -6.628 1.00 0.00 H new ATOM 360 N ASN A 25 -6.763 0.521 -6.314 1.00 0.00 N ATOM 361 CA ASN A 25 -7.550 -0.668 -6.035 1.00 0.00 C ATOM 362 C ASN A 25 -7.035 -1.326 -4.753 1.00 0.00 C ATOM 363 O ASN A 25 -7.823 -1.728 -3.898 1.00 0.00 O ATOM 364 CB ASN A 25 -7.432 -1.687 -7.170 1.00 0.00 C ATOM 365 CG ASN A 25 -8.446 -1.394 -8.277 1.00 0.00 C ATOM 366 OD1 ASN A 25 -9.443 -0.719 -8.079 1.00 0.00 O ATOM 367 ND2 ASN A 25 -8.137 -1.938 -9.451 1.00 0.00 N ATOM 0 H ASN A 25 -5.931 0.358 -6.881 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.592 -0.365 -5.930 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.423 -1.664 -7.581 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.594 -2.692 -6.780 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.751 -1.801 -10.254 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.286 -2.492 -9.548 1.00 0.00 H new ATOM 374 N ALA A 26 -5.717 -1.415 -4.660 1.00 0.00 N ATOM 375 CA ALA A 26 -5.087 -2.017 -3.498 1.00 0.00 C ATOM 376 C ALA A 26 -5.785 -1.520 -2.230 1.00 0.00 C ATOM 377 O ALA A 26 -5.827 -2.225 -1.223 1.00 0.00 O ATOM 378 CB ALA A 26 -3.591 -1.697 -3.503 1.00 0.00 C ATOM 0 H ALA A 26 -5.067 -1.080 -5.371 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.188 -3.102 -3.527 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.119 -2.149 -2.631 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.136 -2.097 -4.409 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.450 -0.617 -3.473 1.00 0.00 H new ATOM 384 N LEU A 27 -6.315 -0.309 -2.321 1.00 0.00 N ATOM 385 CA LEU A 27 -7.009 0.291 -1.195 1.00 0.00 C ATOM 386 C LEU A 27 -8.377 -0.374 -1.031 1.00 0.00 C ATOM 387 O LEU A 27 -8.731 -0.812 0.063 1.00 0.00 O ATOM 388 CB LEU A 27 -7.079 1.811 -1.356 1.00 0.00 C ATOM 389 CG LEU A 27 -5.753 2.517 -1.646 1.00 0.00 C ATOM 390 CD1 LEU A 27 -5.905 4.035 -1.536 1.00 0.00 C ATOM 391 CD2 LEU A 27 -4.640 1.985 -0.741 1.00 0.00 C ATOM 0 H LEU A 27 -6.278 0.273 -3.158 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.457 0.117 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.774 2.039 -2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.501 2.234 -0.444 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.465 2.296 -2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.948 4.513 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.649 4.379 -2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.227 4.296 -0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.708 2.503 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.906 2.156 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.512 0.916 -0.912 1.00 0.00 H new ATOM 403 N SER A 28 -9.109 -0.429 -2.134 1.00 0.00 N ATOM 404 CA SER A 28 -10.430 -1.033 -2.126 1.00 0.00 C ATOM 405 C SER A 28 -10.308 -2.558 -2.114 1.00 0.00 C ATOM 406 O SER A 28 -11.314 -3.265 -2.099 1.00 0.00 O ATOM 407 CB SER A 28 -11.252 -0.576 -3.333 1.00 0.00 C ATOM 408 OG SER A 28 -12.449 0.090 -2.942 1.00 0.00 O ATOM 0 H SER A 28 -8.812 -0.065 -3.039 1.00 0.00 H new ATOM 0 HA SER A 28 -10.949 -0.709 -1.224 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.650 0.092 -3.950 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.502 -1.440 -3.949 1.00 0.00 H new ATOM 0 HG SER A 28 -12.945 0.368 -3.741 1.00 0.00 H new ATOM 414 N HIS A 29 -9.066 -3.021 -2.122 1.00 0.00 N ATOM 415 CA HIS A 29 -8.799 -4.449 -2.112 1.00 0.00 C ATOM 416 C HIS A 29 -8.869 -4.974 -0.677 1.00 0.00 C ATOM 417 O HIS A 29 -9.525 -5.980 -0.412 1.00 0.00 O ATOM 418 CB HIS A 29 -7.464 -4.757 -2.792 1.00 0.00 C ATOM 419 CG HIS A 29 -7.589 -5.135 -4.249 1.00 0.00 C ATOM 420 ND1 HIS A 29 -8.431 -4.677 -5.219 1.00 0.00 N flip ATOM 421 CD2 HIS A 29 -6.786 -6.090 -4.847 1.00 0.00 C flip ATOM 422 CE1 HIS A 29 -8.156 -5.316 -6.349 1.00 0.00 C flip ATOM 423 NE2 HIS A 29 -7.137 -6.193 -6.121 1.00 0.00 N flip ATOM 0 H HIS A 29 -8.234 -2.432 -2.135 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.563 -4.969 -2.690 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.816 -3.885 -2.708 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.975 -5.571 -2.257 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -9.150 -3.964 -5.097 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.006 -6.655 -4.359 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.657 -5.166 -7.294 1.00 0.00 H new ATOM 431 N CYS A 30 -8.183 -4.270 0.211 1.00 0.00 N ATOM 432 CA CYS A 30 -8.159 -4.652 1.612 1.00 0.00 C ATOM 433 C CYS A 30 -7.242 -3.682 2.359 1.00 0.00 C ATOM 434 O CYS A 30 -7.531 -3.295 3.490 1.00 0.00 O ATOM 435 CB CYS A 30 -7.721 -6.107 1.794 1.00 0.00 C ATOM 436 SG CYS A 30 -9.155 -7.137 2.274 1.00 0.00 S ATOM 0 H CYS A 30 -7.639 -3.437 -0.013 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.165 -4.590 2.026 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.286 -6.483 0.868 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.946 -6.169 2.558 1.00 0.00 H new ATOM 0 HG CYS A 30 -10.024 -7.148 1.307 1.00 0.00 H new ATOM 442 N CYS A 31 -6.154 -3.318 1.697 1.00 0.00 N ATOM 443 CA CYS A 31 -5.192 -2.400 2.284 1.00 0.00 C ATOM 444 C CYS A 31 -5.963 -1.293 3.006 1.00 0.00 C ATOM 445 O CYS A 31 -5.642 -0.947 4.142 1.00 0.00 O ATOM 446 CB CYS A 31 -4.234 -1.836 1.233 1.00 0.00 C ATOM 447 SG CYS A 31 -3.283 -3.195 0.460 1.00 0.00 S ATOM 0 H CYS A 31 -5.917 -3.642 0.759 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.567 -2.933 3.001 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.795 -1.294 0.471 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.553 -1.122 1.696 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.838 -3.527 -0.668 1.00 0.00 H new ATOM 453 N LEU A 32 -6.966 -0.768 2.317 1.00 0.00 N ATOM 454 CA LEU A 32 -7.785 0.292 2.878 1.00 0.00 C ATOM 455 C LEU A 32 -9.254 0.031 2.538 1.00 0.00 C ATOM 456 O LEU A 32 -10.019 0.967 2.313 1.00 0.00 O ATOM 457 CB LEU A 32 -7.281 1.661 2.415 1.00 0.00 C ATOM 458 CG LEU A 32 -6.102 2.241 3.199 1.00 0.00 C ATOM 459 CD1 LEU A 32 -5.477 3.422 2.454 1.00 0.00 C ATOM 460 CD2 LEU A 32 -6.521 2.618 4.622 1.00 0.00 C ATOM 0 H LEU A 32 -7.230 -1.057 1.375 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.705 0.299 3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.992 1.584 1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.109 2.368 2.467 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.336 1.470 3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.641 3.816 3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.119 3.089 1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.225 4.203 2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.664 3.028 5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.314 3.364 4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.883 1.731 5.142 1.00 0.00 H new ATOM 472 N ALA A 33 -9.603 -1.247 2.510 1.00 0.00 N ATOM 473 CA ALA A 33 -10.967 -1.644 2.200 1.00 0.00 C ATOM 474 C ALA A 33 -11.743 -1.842 3.503 1.00 0.00 C ATOM 475 O ALA A 33 -11.297 -2.565 4.393 1.00 0.00 O ATOM 476 CB ALA A 33 -10.947 -2.905 1.335 1.00 0.00 C ATOM 0 H ALA A 33 -8.965 -2.021 2.697 1.00 0.00 H new ATOM 0 HA ALA A 33 -11.474 -0.866 1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.969 -3.203 1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -10.408 -2.703 0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.449 -3.709 1.876 1.00 0.00 H new ATOM 482 N GLY A 34 -12.893 -1.187 3.575 1.00 0.00 N ATOM 483 CA GLY A 34 -13.736 -1.282 4.755 1.00 0.00 C ATOM 484 C GLY A 34 -14.413 0.057 5.054 1.00 0.00 C ATOM 485 O GLY A 34 -14.358 0.980 4.243 1.00 0.00 O ATOM 0 H GLY A 34 -13.261 -0.589 2.835 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.494 -2.051 4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.136 -1.589 5.611 1.00 0.00 H new ATOM 489 N LYS A 35 -15.037 0.120 6.221 1.00 0.00 N ATOM 490 CA LYS A 35 -15.725 1.330 6.638 1.00 0.00 C ATOM 491 C LYS A 35 -14.797 2.156 7.531 1.00 0.00 C ATOM 492 O LYS A 35 -14.729 3.378 7.400 1.00 0.00 O ATOM 493 CB LYS A 35 -17.064 0.988 7.293 1.00 0.00 C ATOM 494 CG LYS A 35 -16.917 -0.190 8.258 1.00 0.00 C ATOM 495 CD LYS A 35 -17.139 -1.521 7.537 1.00 0.00 C ATOM 496 CE LYS A 35 -16.353 -2.647 8.210 1.00 0.00 C ATOM 497 NZ LYS A 35 -16.906 -3.966 7.829 1.00 0.00 N ATOM 0 H LYS A 35 -15.081 -0.648 6.891 1.00 0.00 H new ATOM 0 HA LYS A 35 -15.969 1.946 5.773 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.443 1.858 7.830 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.797 0.744 6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -15.923 -0.176 8.705 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -17.635 -0.089 9.072 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.201 -1.765 7.535 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -16.831 -1.430 6.495 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.304 -2.589 7.921 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.392 -2.529 9.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.360 -4.719 8.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.901 -4.024 8.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.846 -4.083 6.797 1.00 0.00 H new ATOM 511 N VAL A 36 -14.106 1.457 8.419 1.00 0.00 N ATOM 512 CA VAL A 36 -13.185 2.111 9.334 1.00 0.00 C ATOM 513 C VAL A 36 -12.233 3.007 8.539 1.00 0.00 C ATOM 514 O VAL A 36 -11.832 4.068 9.014 1.00 0.00 O ATOM 515 CB VAL A 36 -12.455 1.064 10.179 1.00 0.00 C ATOM 516 CG1 VAL A 36 -13.397 0.438 11.209 1.00 0.00 C ATOM 517 CG2 VAL A 36 -11.820 -0.010 9.293 1.00 0.00 C ATOM 0 H VAL A 36 -14.165 0.444 8.525 1.00 0.00 H new ATOM 0 HA VAL A 36 -13.728 2.750 10.030 1.00 0.00 H new ATOM 0 HB VAL A 36 -11.654 1.569 10.720 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -12.854 -0.302 11.796 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.781 1.215 11.870 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.228 -0.045 10.696 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -11.308 -0.741 9.918 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -12.596 -0.509 8.713 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -11.103 0.454 8.616 1.00 0.00 H new ATOM 527 N ASN A 37 -11.900 2.547 7.342 1.00 0.00 N ATOM 528 CA ASN A 37 -11.002 3.293 6.477 1.00 0.00 C ATOM 529 C ASN A 37 -11.804 3.912 5.330 1.00 0.00 C ATOM 530 O ASN A 37 -11.325 3.982 4.200 1.00 0.00 O ATOM 531 CB ASN A 37 -9.936 2.380 5.869 1.00 0.00 C ATOM 532 CG ASN A 37 -8.799 2.129 6.862 1.00 0.00 C ATOM 533 OD1 ASN A 37 -8.400 2.997 7.620 1.00 0.00 O ATOM 534 ND2 ASN A 37 -8.302 0.896 6.814 1.00 0.00 N ATOM 0 H ASN A 37 -12.236 1.667 6.951 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.517 4.062 7.078 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.387 1.431 5.579 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.538 2.834 4.962 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.540 0.629 7.437 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.683 0.218 6.154 1.00 0.00 H new ATOM 541 N GLU A 38 -13.012 4.344 5.661 1.00 0.00 N ATOM 542 CA GLU A 38 -13.885 4.954 4.672 1.00 0.00 C ATOM 543 C GLU A 38 -13.480 6.410 4.432 1.00 0.00 C ATOM 544 O GLU A 38 -13.472 6.876 3.294 1.00 0.00 O ATOM 545 CB GLU A 38 -15.351 4.857 5.101 1.00 0.00 C ATOM 546 CG GLU A 38 -16.275 5.437 4.029 1.00 0.00 C ATOM 547 CD GLU A 38 -17.568 5.971 4.650 1.00 0.00 C ATOM 548 OE1 GLU A 38 -18.063 5.308 5.587 1.00 0.00 O ATOM 549 OE2 GLU A 38 -18.032 7.029 4.173 1.00 0.00 O ATOM 0 H GLU A 38 -13.407 4.284 6.600 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.777 4.408 3.735 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.611 3.815 5.286 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -15.495 5.393 6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -15.763 6.240 3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.511 4.669 3.293 1.00 0.00 H new ATOM 556 N PRO A 39 -13.144 7.105 5.552 1.00 0.00 N ATOM 557 CA PRO A 39 -12.738 8.498 5.474 1.00 0.00 C ATOM 558 C PRO A 39 -11.315 8.625 4.927 1.00 0.00 C ATOM 559 O PRO A 39 -11.057 9.439 4.041 1.00 0.00 O ATOM 560 CB PRO A 39 -12.879 9.029 6.892 1.00 0.00 C ATOM 561 CG PRO A 39 -12.910 7.805 7.793 1.00 0.00 C ATOM 562 CD PRO A 39 -13.142 6.586 6.916 1.00 0.00 C ATOM 0 HA PRO A 39 -13.351 9.077 4.783 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.045 9.683 7.149 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.790 9.617 7.000 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.972 7.709 8.339 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.703 7.898 8.535 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.357 5.843 7.056 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -14.088 6.100 7.156 1.00 0.00 H new ATOM 570 N GLN A 40 -10.429 7.808 5.477 1.00 0.00 N ATOM 571 CA GLN A 40 -9.038 7.819 5.056 1.00 0.00 C ATOM 572 C GLN A 40 -8.925 7.395 3.590 1.00 0.00 C ATOM 573 O GLN A 40 -8.381 8.131 2.768 1.00 0.00 O ATOM 574 CB GLN A 40 -8.186 6.920 5.954 1.00 0.00 C ATOM 575 CG GLN A 40 -6.962 6.395 5.200 1.00 0.00 C ATOM 576 CD GLN A 40 -5.762 6.251 6.138 1.00 0.00 C ATOM 577 OE1 GLN A 40 -5.629 5.037 6.664 1.00 0.00 O flip ATOM 578 NE2 GLN A 40 -5.006 7.181 6.367 1.00 0.00 N flip ATOM 0 H GLN A 40 -10.647 7.134 6.211 1.00 0.00 H new ATOM 0 HA GLN A 40 -8.658 8.836 5.151 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.864 7.478 6.833 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -8.786 6.082 6.310 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -7.194 5.430 4.749 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -6.712 7.075 4.386 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.166 8.088 5.929 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.214 7.051 6.996 1.00 0.00 H new ATOM 587 N LYS A 41 -9.448 6.211 3.307 1.00 0.00 N ATOM 588 CA LYS A 41 -9.412 5.680 1.955 1.00 0.00 C ATOM 589 C LYS A 41 -9.650 6.817 0.959 1.00 0.00 C ATOM 590 O LYS A 41 -8.865 7.009 0.032 1.00 0.00 O ATOM 591 CB LYS A 41 -10.397 4.519 1.809 1.00 0.00 C ATOM 592 CG LYS A 41 -10.510 4.076 0.349 1.00 0.00 C ATOM 593 CD LYS A 41 -11.736 3.185 0.139 1.00 0.00 C ATOM 594 CE LYS A 41 -12.994 3.840 0.713 1.00 0.00 C ATOM 595 NZ LYS A 41 -14.207 3.273 0.083 1.00 0.00 N ATOM 0 H LYS A 41 -9.899 5.604 3.991 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.429 5.263 1.735 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.069 3.680 2.423 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.377 4.820 2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.578 4.952 -0.296 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.609 3.535 0.059 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.874 2.995 -0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.574 2.219 0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.031 3.686 1.791 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.959 4.917 0.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.052 3.728 0.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.177 3.442 -0.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.246 2.250 0.265 1.00 0.00 H new ATOM 609 N ASN A 42 -10.736 7.542 1.186 1.00 0.00 N ATOM 610 CA ASN A 42 -11.087 8.655 0.320 1.00 0.00 C ATOM 611 C ASN A 42 -9.912 9.633 0.253 1.00 0.00 C ATOM 612 O ASN A 42 -9.520 10.063 -0.830 1.00 0.00 O ATOM 613 CB ASN A 42 -12.302 9.411 0.860 1.00 0.00 C ATOM 614 CG ASN A 42 -13.604 8.812 0.324 1.00 0.00 C ATOM 615 OD1 ASN A 42 -14.023 9.071 -0.792 1.00 0.00 O ATOM 616 ND2 ASN A 42 -14.217 7.999 1.179 1.00 0.00 N ATOM 0 H ASN A 42 -11.384 7.380 1.957 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.321 8.255 -0.666 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.302 9.375 1.949 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.237 10.461 0.576 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.093 7.549 0.915 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.811 7.826 2.098 1.00 0.00 H new ATOM 623 N ARG A 43 -9.385 9.956 1.425 1.00 0.00 N ATOM 624 CA ARG A 43 -8.264 10.875 1.513 1.00 0.00 C ATOM 625 C ARG A 43 -7.094 10.369 0.666 1.00 0.00 C ATOM 626 O ARG A 43 -6.396 11.157 0.030 1.00 0.00 O ATOM 627 CB ARG A 43 -7.801 11.043 2.961 1.00 0.00 C ATOM 628 CG ARG A 43 -8.798 11.883 3.762 1.00 0.00 C ATOM 629 CD ARG A 43 -8.214 13.259 4.092 1.00 0.00 C ATOM 630 NE ARG A 43 -9.148 14.009 4.961 1.00 0.00 N ATOM 631 CZ ARG A 43 -9.267 13.813 6.281 1.00 0.00 C ATOM 632 NH1 ARG A 43 -8.512 12.890 6.892 1.00 0.00 N ATOM 633 NH2 ARG A 43 -10.140 14.541 6.991 1.00 0.00 N ATOM 0 H ARG A 43 -9.714 9.597 2.321 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.598 11.842 1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.689 10.064 3.426 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.821 11.519 2.980 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.719 12.002 3.192 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.059 11.364 4.684 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.252 13.145 4.591 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.032 13.816 3.173 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.738 14.720 4.528 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.847 12.337 6.352 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.603 12.741 7.897 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.714 15.245 6.526 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.230 14.391 7.996 1.00 0.00 H new ATOM 647 N ILE A 44 -6.916 9.056 0.685 1.00 0.00 N ATOM 648 CA ILE A 44 -5.843 8.435 -0.072 1.00 0.00 C ATOM 649 C ILE A 44 -6.152 8.543 -1.567 1.00 0.00 C ATOM 650 O ILE A 44 -5.333 9.039 -2.339 1.00 0.00 O ATOM 651 CB ILE A 44 -5.611 7.000 0.406 1.00 0.00 C ATOM 652 CG1 ILE A 44 -5.633 6.921 1.933 1.00 0.00 C ATOM 653 CG2 ILE A 44 -4.317 6.430 -0.179 1.00 0.00 C ATOM 654 CD1 ILE A 44 -4.864 8.088 2.554 1.00 0.00 C ATOM 0 H ILE A 44 -7.497 8.405 1.213 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.903 8.959 0.099 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.430 6.381 0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.664 6.931 2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.194 5.978 2.258 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.176 5.409 0.176 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.379 6.430 -1.267 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.474 7.044 0.137 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.896 8.007 3.641 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.827 8.061 2.218 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.320 9.029 2.247 1.00 0.00 H new ATOM 666 N LEU A 45 -7.335 8.070 -1.930 1.00 0.00 N ATOM 667 CA LEU A 45 -7.762 8.107 -3.319 1.00 0.00 C ATOM 668 C LEU A 45 -7.485 9.497 -3.896 1.00 0.00 C ATOM 669 O LEU A 45 -6.976 9.621 -5.009 1.00 0.00 O ATOM 670 CB LEU A 45 -9.222 7.670 -3.442 1.00 0.00 C ATOM 671 CG LEU A 45 -9.554 6.278 -2.900 1.00 0.00 C ATOM 672 CD1 LEU A 45 -11.040 6.163 -2.556 1.00 0.00 C ATOM 673 CD2 LEU A 45 -9.105 5.188 -3.876 1.00 0.00 C ATOM 0 H LEU A 45 -8.011 7.659 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.189 7.395 -3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.844 8.399 -2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.503 7.705 -4.494 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.998 6.130 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.249 5.164 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.296 6.903 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.636 6.340 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.353 4.209 -3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.614 5.322 -4.830 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.028 5.256 -4.027 1.00 0.00 H new ATOM 685 N GLU A 46 -7.833 10.508 -3.113 1.00 0.00 N ATOM 686 CA GLU A 46 -7.628 11.884 -3.532 1.00 0.00 C ATOM 687 C GLU A 46 -6.135 12.217 -3.549 1.00 0.00 C ATOM 688 O GLU A 46 -5.556 12.433 -4.612 1.00 0.00 O ATOM 689 CB GLU A 46 -8.396 12.852 -2.629 1.00 0.00 C ATOM 690 CG GLU A 46 -9.821 12.354 -2.378 1.00 0.00 C ATOM 691 CD GLU A 46 -10.850 13.303 -2.993 1.00 0.00 C ATOM 692 OE1 GLU A 46 -11.220 14.270 -2.293 1.00 0.00 O ATOM 693 OE2 GLU A 46 -11.244 13.041 -4.150 1.00 0.00 O ATOM 0 H GLU A 46 -8.256 10.401 -2.191 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.017 11.997 -4.544 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.873 12.962 -1.679 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.428 13.839 -3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.942 11.357 -2.802 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.996 12.268 -1.306 1.00 0.00 H new ATOM 700 N GLU A 47 -5.555 12.249 -2.358 1.00 0.00 N ATOM 701 CA GLU A 47 -4.141 12.553 -2.223 1.00 0.00 C ATOM 702 C GLU A 47 -3.352 11.934 -3.378 1.00 0.00 C ATOM 703 O GLU A 47 -2.543 12.608 -4.014 1.00 0.00 O ATOM 704 CB GLU A 47 -3.603 12.073 -0.873 1.00 0.00 C ATOM 705 CG GLU A 47 -4.072 12.988 0.261 1.00 0.00 C ATOM 706 CD GLU A 47 -3.541 14.410 0.072 1.00 0.00 C ATOM 707 OE1 GLU A 47 -2.316 14.534 -0.146 1.00 0.00 O ATOM 708 OE2 GLU A 47 -4.371 15.342 0.151 1.00 0.00 O ATOM 0 H GLU A 47 -6.039 12.069 -1.478 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.017 13.635 -2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.939 11.053 -0.685 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.514 12.049 -0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.161 13.004 0.293 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.730 12.592 1.217 1.00 0.00 H new ATOM 715 N ILE A 48 -3.615 10.657 -3.615 1.00 0.00 N ATOM 716 CA ILE A 48 -2.940 9.939 -4.683 1.00 0.00 C ATOM 717 C ILE A 48 -3.135 10.692 -6.001 1.00 0.00 C ATOM 718 O ILE A 48 -2.167 10.986 -6.701 1.00 0.00 O ATOM 719 CB ILE A 48 -3.410 8.484 -4.731 1.00 0.00 C ATOM 720 CG1 ILE A 48 -2.966 7.723 -3.480 1.00 0.00 C ATOM 721 CG2 ILE A 48 -2.941 7.799 -6.016 1.00 0.00 C ATOM 722 CD1 ILE A 48 -3.527 6.299 -3.477 1.00 0.00 C ATOM 0 H ILE A 48 -4.286 10.101 -3.085 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.867 9.897 -4.495 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.500 8.477 -4.742 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.877 7.689 -3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.303 8.253 -2.589 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.288 6.766 -6.025 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.348 8.326 -6.879 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.852 7.816 -6.061 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.197 5.780 -2.577 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.616 6.337 -3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.168 5.765 -4.357 1.00 0.00 H new ATOM 734 N GLU A 49 -4.393 10.983 -6.298 1.00 0.00 N ATOM 735 CA GLU A 49 -4.727 11.697 -7.519 1.00 0.00 C ATOM 736 C GLU A 49 -4.169 13.121 -7.472 1.00 0.00 C ATOM 737 O GLU A 49 -3.568 13.588 -8.438 1.00 0.00 O ATOM 738 CB GLU A 49 -6.239 11.708 -7.752 1.00 0.00 C ATOM 739 CG GLU A 49 -6.755 10.303 -8.070 1.00 0.00 C ATOM 740 CD GLU A 49 -6.883 10.095 -9.581 1.00 0.00 C ATOM 741 OE1 GLU A 49 -5.825 10.105 -10.247 1.00 0.00 O ATOM 742 OE2 GLU A 49 -8.035 9.931 -10.036 1.00 0.00 O ATOM 0 H GLU A 49 -5.193 10.738 -5.715 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.267 11.175 -8.358 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.744 12.093 -6.866 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.479 12.382 -8.574 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.076 9.559 -7.653 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.724 10.151 -7.595 1.00 0.00 H new ATOM 749 N LYS A 50 -4.388 13.770 -6.338 1.00 0.00 N ATOM 750 CA LYS A 50 -3.915 15.131 -6.152 1.00 0.00 C ATOM 751 C LYS A 50 -2.386 15.149 -6.222 1.00 0.00 C ATOM 752 O LYS A 50 -1.787 16.181 -6.520 1.00 0.00 O ATOM 753 CB LYS A 50 -4.478 15.722 -4.858 1.00 0.00 C ATOM 754 CG LYS A 50 -3.424 15.719 -3.749 1.00 0.00 C ATOM 755 CD LYS A 50 -4.035 16.137 -2.410 1.00 0.00 C ATOM 756 CE LYS A 50 -4.612 17.552 -2.488 1.00 0.00 C ATOM 757 NZ LYS A 50 -3.956 18.434 -1.498 1.00 0.00 N ATOM 0 H LYS A 50 -4.887 13.379 -5.539 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.279 15.774 -6.954 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.819 16.742 -5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.348 15.147 -4.540 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.989 14.724 -3.659 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.613 16.399 -4.011 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.820 15.435 -2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.275 16.093 -1.630 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.471 17.954 -3.491 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.686 17.524 -2.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.359 19.390 -1.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.112 18.058 -0.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.935 18.475 -1.692 1.00 0.00 H new ATOM 771 N SER A 51 -1.799 13.995 -5.943 1.00 0.00 N ATOM 772 CA SER A 51 -0.352 13.865 -5.970 1.00 0.00 C ATOM 773 C SER A 51 0.123 13.610 -7.402 1.00 0.00 C ATOM 774 O SER A 51 -0.503 12.853 -8.142 1.00 0.00 O ATOM 775 CB SER A 51 0.117 12.739 -5.046 1.00 0.00 C ATOM 776 OG SER A 51 1.533 12.738 -4.883 1.00 0.00 O ATOM 0 H SER A 51 -2.299 13.141 -5.697 1.00 0.00 H new ATOM 0 HA SER A 51 0.083 14.798 -5.610 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.360 12.847 -4.072 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.202 11.779 -5.453 1.00 0.00 H new ATOM 0 HG SER A 51 1.787 13.420 -4.227 1.00 0.00 H new ATOM 782 N LYS A 52 1.226 14.256 -7.749 1.00 0.00 N ATOM 783 CA LYS A 52 1.793 14.109 -9.079 1.00 0.00 C ATOM 784 C LYS A 52 2.834 12.988 -9.064 1.00 0.00 C ATOM 785 O LYS A 52 3.814 13.036 -9.806 1.00 0.00 O ATOM 786 CB LYS A 52 2.338 15.448 -9.580 1.00 0.00 C ATOM 787 CG LYS A 52 2.968 15.299 -10.967 1.00 0.00 C ATOM 788 CD LYS A 52 2.348 16.285 -11.959 1.00 0.00 C ATOM 789 CE LYS A 52 3.343 16.649 -13.063 1.00 0.00 C ATOM 790 NZ LYS A 52 4.409 17.527 -12.531 1.00 0.00 N ATOM 0 H LYS A 52 1.743 14.883 -7.132 1.00 0.00 H new ATOM 0 HA LYS A 52 1.022 13.818 -9.792 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.532 16.181 -9.619 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.080 15.828 -8.878 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.043 15.470 -10.903 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.828 14.280 -11.326 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.453 15.848 -12.401 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.036 17.188 -11.434 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.784 15.742 -13.477 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.823 17.152 -13.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.855 18.045 -13.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.997 18.205 -11.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.125 16.949 -12.046 1.00 0.00 H new ATOM 804 N ALA A 53 2.586 12.005 -8.210 1.00 0.00 N ATOM 805 CA ALA A 53 3.490 10.874 -8.089 1.00 0.00 C ATOM 806 C ALA A 53 3.112 9.811 -9.122 1.00 0.00 C ATOM 807 O ALA A 53 1.948 9.698 -9.503 1.00 0.00 O ATOM 808 CB ALA A 53 3.446 10.337 -6.657 1.00 0.00 C ATOM 0 H ALA A 53 1.772 11.969 -7.596 1.00 0.00 H new ATOM 0 HA ALA A 53 4.516 11.180 -8.292 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.124 9.488 -6.566 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.751 11.122 -5.965 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.431 10.018 -6.419 1.00 0.00 H new ATOM 814 N ASN A 54 4.117 9.059 -9.545 1.00 0.00 N ATOM 815 CA ASN A 54 3.904 8.009 -10.527 1.00 0.00 C ATOM 816 C ASN A 54 4.179 6.649 -9.881 1.00 0.00 C ATOM 817 O ASN A 54 3.876 5.609 -10.463 1.00 0.00 O ATOM 818 CB ASN A 54 4.852 8.167 -11.717 1.00 0.00 C ATOM 819 CG ASN A 54 6.228 8.657 -11.261 1.00 0.00 C ATOM 820 OD1 ASN A 54 6.385 9.747 -10.736 1.00 0.00 O ATOM 821 ND2 ASN A 54 7.213 7.793 -11.489 1.00 0.00 N ATOM 0 H ASN A 54 5.081 9.156 -9.226 1.00 0.00 H new ATOM 0 HA ASN A 54 2.873 8.077 -10.875 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.955 7.213 -12.234 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.429 8.873 -12.432 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.169 8.027 -11.220 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.013 6.897 -11.933 1.00 0.00 H new ATOM 828 N HIS A 55 4.750 6.702 -8.687 1.00 0.00 N ATOM 829 CA HIS A 55 5.070 5.488 -7.955 1.00 0.00 C ATOM 830 C HIS A 55 4.653 5.645 -6.492 1.00 0.00 C ATOM 831 O HIS A 55 5.268 6.406 -5.746 1.00 0.00 O ATOM 832 CB HIS A 55 6.549 5.130 -8.116 1.00 0.00 C ATOM 833 CG HIS A 55 6.901 3.743 -7.633 1.00 0.00 C ATOM 834 ND1 HIS A 55 8.194 3.249 -7.650 1.00 0.00 N ATOM 835 CD2 HIS A 55 6.117 2.753 -7.118 1.00 0.00 C ATOM 836 CE1 HIS A 55 8.177 2.016 -7.167 1.00 0.00 C ATOM 837 NE2 HIS A 55 6.889 1.710 -6.838 1.00 0.00 N ATOM 0 H HIS A 55 5.000 7.567 -8.208 1.00 0.00 H new ATOM 0 HA HIS A 55 4.507 4.651 -8.368 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.821 5.217 -9.168 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.150 5.857 -7.570 1.00 0.00 H new ATOM 0 HD1 HIS A 55 9.020 3.750 -7.979 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.049 2.808 -6.964 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.033 1.367 -7.054 1.00 0.00 H new ATOM 845 N PHE A 56 3.612 4.914 -6.124 1.00 0.00 N ATOM 846 CA PHE A 56 3.106 4.963 -4.763 1.00 0.00 C ATOM 847 C PHE A 56 3.423 3.668 -4.013 1.00 0.00 C ATOM 848 O PHE A 56 3.816 2.674 -4.622 1.00 0.00 O ATOM 849 CB PHE A 56 1.587 5.125 -4.856 1.00 0.00 C ATOM 850 CG PHE A 56 1.140 6.462 -5.451 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.965 7.542 -4.643 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.917 6.570 -6.788 1.00 0.00 C ATOM 853 CE1 PHE A 56 0.549 8.782 -5.196 1.00 0.00 C ATOM 854 CE2 PHE A 56 0.501 7.810 -7.341 1.00 0.00 C ATOM 855 CZ PHE A 56 0.326 8.890 -6.533 1.00 0.00 C ATOM 0 H PHE A 56 3.104 4.284 -6.745 1.00 0.00 H new ATOM 0 HA PHE A 56 3.571 5.788 -4.223 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.182 4.315 -5.463 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.159 5.021 -3.859 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.142 7.457 -3.581 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.056 5.712 -7.430 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.410 9.640 -4.554 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.324 7.895 -8.403 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.010 9.833 -6.953 1.00 0.00 H new ATOM 865 N LEU A 57 3.242 3.721 -2.702 1.00 0.00 N ATOM 866 CA LEU A 57 3.504 2.564 -1.862 1.00 0.00 C ATOM 867 C LEU A 57 2.666 2.666 -0.586 1.00 0.00 C ATOM 868 O LEU A 57 2.397 3.764 -0.101 1.00 0.00 O ATOM 869 CB LEU A 57 5.005 2.419 -1.603 1.00 0.00 C ATOM 870 CG LEU A 57 5.807 1.703 -2.691 1.00 0.00 C ATOM 871 CD1 LEU A 57 6.452 2.707 -3.648 1.00 0.00 C ATOM 872 CD2 LEU A 57 6.838 0.754 -2.077 1.00 0.00 C ATOM 0 H LEU A 57 2.917 4.547 -2.200 1.00 0.00 H new ATOM 0 HA LEU A 57 3.202 1.648 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.427 3.414 -1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.141 1.881 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 57 5.118 1.095 -3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.016 2.171 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.676 3.306 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.124 3.360 -3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.395 0.258 -2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.527 1.321 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.328 0.006 -1.470 1.00 0.00 H new ATOM 884 N ILE A 58 2.278 1.505 -0.077 1.00 0.00 N ATOM 885 CA ILE A 58 1.477 1.450 1.134 1.00 0.00 C ATOM 886 C ILE A 58 2.374 1.086 2.318 1.00 0.00 C ATOM 887 O ILE A 58 3.141 0.126 2.248 1.00 0.00 O ATOM 888 CB ILE A 58 0.290 0.502 0.948 1.00 0.00 C ATOM 889 CG1 ILE A 58 -0.709 1.067 -0.064 1.00 0.00 C ATOM 890 CG2 ILE A 58 -0.372 0.183 2.290 1.00 0.00 C ATOM 891 CD1 ILE A 58 -1.297 -0.046 -0.934 1.00 0.00 C ATOM 0 H ILE A 58 2.504 0.596 -0.481 1.00 0.00 H new ATOM 0 HA ILE A 58 1.045 2.427 1.350 1.00 0.00 H new ATOM 0 HB ILE A 58 0.663 -0.438 0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.511 1.585 0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.214 1.804 -0.696 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.212 -0.492 2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.354 -0.292 2.950 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.730 1.105 2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.004 0.383 -1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.495 -0.546 -1.477 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.812 -0.769 -0.301 1.00 0.00 H new ATOM 903 N LEU A 59 2.250 1.871 3.378 1.00 0.00 N ATOM 904 CA LEU A 59 3.040 1.643 4.575 1.00 0.00 C ATOM 905 C LEU A 59 2.256 0.748 5.536 1.00 0.00 C ATOM 906 O LEU A 59 1.237 1.164 6.086 1.00 0.00 O ATOM 907 CB LEU A 59 3.475 2.974 5.191 1.00 0.00 C ATOM 908 CG LEU A 59 4.446 2.883 6.370 1.00 0.00 C ATOM 909 CD1 LEU A 59 5.812 2.365 5.916 1.00 0.00 C ATOM 910 CD2 LEU A 59 4.555 4.224 7.097 1.00 0.00 C ATOM 0 H LEU A 59 1.614 2.666 3.432 1.00 0.00 H new ATOM 0 HA LEU A 59 3.962 1.116 4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.938 3.578 4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.583 3.507 5.521 1.00 0.00 H new ATOM 0 HG LEU A 59 4.048 2.162 7.084 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.483 2.310 6.773 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.698 1.373 5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.229 3.043 5.171 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.251 4.131 7.930 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.917 4.985 6.405 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.574 4.514 7.474 1.00 0.00 H new ATOM 922 N PHE A 60 2.760 -0.465 5.710 1.00 0.00 N ATOM 923 CA PHE A 60 2.119 -1.422 6.595 1.00 0.00 C ATOM 924 C PHE A 60 2.740 -1.378 7.993 1.00 0.00 C ATOM 925 O PHE A 60 3.640 -0.579 8.251 1.00 0.00 O ATOM 926 CB PHE A 60 2.347 -2.810 5.993 1.00 0.00 C ATOM 927 CG PHE A 60 1.598 -3.050 4.681 1.00 0.00 C ATOM 928 CD1 PHE A 60 0.274 -2.751 4.589 1.00 0.00 C ATOM 929 CD2 PHE A 60 2.256 -3.561 3.606 1.00 0.00 C ATOM 930 CE1 PHE A 60 -0.421 -2.973 3.371 1.00 0.00 C ATOM 931 CE2 PHE A 60 1.561 -3.783 2.388 1.00 0.00 C ATOM 932 CZ PHE A 60 0.237 -3.485 2.296 1.00 0.00 C ATOM 0 H PHE A 60 3.605 -0.807 5.253 1.00 0.00 H new ATOM 0 HA PHE A 60 1.059 -1.188 6.690 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.414 -2.949 5.821 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.040 -3.564 6.718 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.248 -2.345 5.442 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.307 -3.798 3.679 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.472 -2.735 3.298 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.084 -4.189 1.534 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.292 -3.655 1.370 1.00 0.00 H new ATOM 942 N ARG A 61 2.235 -2.245 8.858 1.00 0.00 N ATOM 943 CA ARG A 61 2.728 -2.314 10.223 1.00 0.00 C ATOM 944 C ARG A 61 3.669 -3.510 10.387 1.00 0.00 C ATOM 945 O ARG A 61 3.357 -4.456 11.108 1.00 0.00 O ATOM 946 CB ARG A 61 1.575 -2.441 11.220 1.00 0.00 C ATOM 947 CG ARG A 61 1.851 -1.626 12.485 1.00 0.00 C ATOM 948 CD ARG A 61 2.415 -2.514 13.597 1.00 0.00 C ATOM 949 NE ARG A 61 1.482 -2.539 14.745 1.00 0.00 N ATOM 950 CZ ARG A 61 1.846 -2.826 16.003 1.00 0.00 C ATOM 951 NH1 ARG A 61 3.125 -3.113 16.281 1.00 0.00 N ATOM 952 NH2 ARG A 61 0.932 -2.826 16.982 1.00 0.00 N ATOM 0 H ARG A 61 1.489 -2.906 8.640 1.00 0.00 H new ATOM 0 HA ARG A 61 3.269 -1.390 10.427 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.650 -2.098 10.757 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.431 -3.489 11.483 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.557 -0.826 12.260 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.930 -1.152 12.825 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.571 -3.526 13.222 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.387 -2.139 13.916 1.00 0.00 H new ATOM 0 HE ARG A 61 0.501 -2.324 14.568 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.821 -3.113 15.536 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.402 -3.331 17.238 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.042 -2.608 16.771 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.210 -3.044 17.939 1.00 0.00 H new ATOM 1011 N GLN A 66 -1.879 -4.213 7.184 1.00 0.00 N ATOM 1012 CA GLN A 66 -2.843 -3.179 7.523 1.00 0.00 C ATOM 1013 C GLN A 66 -2.276 -1.797 7.195 1.00 0.00 C ATOM 1014 O GLN A 66 -1.460 -1.263 7.945 1.00 0.00 O ATOM 1015 CB GLN A 66 -3.249 -3.271 8.995 1.00 0.00 C ATOM 1016 CG GLN A 66 -4.237 -4.417 9.221 1.00 0.00 C ATOM 1017 CD GLN A 66 -5.290 -4.037 10.263 1.00 0.00 C ATOM 1018 OE1 GLN A 66 -6.460 -3.859 9.966 1.00 0.00 O ATOM 1019 NE2 GLN A 66 -4.811 -3.922 11.499 1.00 0.00 N ATOM 0 HA GLN A 66 -3.740 -3.333 6.923 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.363 -3.423 9.611 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.699 -2.330 9.311 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.726 -4.671 8.281 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.699 -5.306 9.550 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.820 -4.085 11.679 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.434 -3.671 12.266 1.00 0.00 H new ATOM 1028 N PHE A 67 -2.730 -1.256 6.074 1.00 0.00 N ATOM 1029 CA PHE A 67 -2.278 0.054 5.638 1.00 0.00 C ATOM 1030 C PHE A 67 -2.193 1.025 6.817 1.00 0.00 C ATOM 1031 O PHE A 67 -3.126 1.125 7.613 1.00 0.00 O ATOM 1032 CB PHE A 67 -3.312 0.574 4.638 1.00 0.00 C ATOM 1033 CG PHE A 67 -3.067 2.013 4.180 1.00 0.00 C ATOM 1034 CD1 PHE A 67 -3.308 3.048 5.030 1.00 0.00 C ATOM 1035 CD2 PHE A 67 -2.607 2.259 2.924 1.00 0.00 C ATOM 1036 CE1 PHE A 67 -3.080 4.383 4.606 1.00 0.00 C ATOM 1037 CE2 PHE A 67 -2.379 3.594 2.500 1.00 0.00 C ATOM 1038 CZ PHE A 67 -2.620 4.628 3.349 1.00 0.00 C ATOM 0 H PHE A 67 -3.407 -1.702 5.454 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.286 -0.024 5.194 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.318 -0.078 3.765 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.302 0.511 5.089 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.673 2.853 6.028 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.415 1.438 2.249 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.272 5.204 5.281 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.014 3.789 1.502 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.446 5.644 3.026 1.00 0.00 H new ATOM 1048 N ARG A 68 -1.065 1.717 6.893 1.00 0.00 N ATOM 1049 CA ARG A 68 -0.846 2.676 7.961 1.00 0.00 C ATOM 1050 C ARG A 68 -0.788 4.097 7.396 1.00 0.00 C ATOM 1051 O ARG A 68 -1.107 5.059 8.092 1.00 0.00 O ATOM 1052 CB ARG A 68 0.455 2.380 8.710 1.00 0.00 C ATOM 1053 CG ARG A 68 0.314 1.129 9.580 1.00 0.00 C ATOM 1054 CD ARG A 68 -0.553 1.411 10.808 1.00 0.00 C ATOM 1055 NE ARG A 68 -1.140 0.150 11.314 1.00 0.00 N ATOM 1056 CZ ARG A 68 -2.176 0.090 12.162 1.00 0.00 C ATOM 1057 NH1 ARG A 68 -2.745 1.219 12.605 1.00 0.00 N ATOM 1058 NH2 ARG A 68 -2.642 -1.099 12.567 1.00 0.00 N ATOM 0 H ARG A 68 -0.293 1.632 6.232 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.680 2.592 8.657 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.267 2.241 7.996 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.722 3.233 9.334 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.129 0.323 8.995 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.300 0.789 9.897 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.047 1.881 11.587 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.346 2.113 10.550 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.730 -0.729 10.997 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.390 2.124 12.297 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.534 1.173 13.250 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.208 -1.958 12.230 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.430 -1.145 13.212 1.00 0.00 H new ATOM 1072 N ALA A 69 -0.379 4.183 6.138 1.00 0.00 N ATOM 1073 CA ALA A 69 -0.276 5.469 5.471 1.00 0.00 C ATOM 1074 C ALA A 69 0.229 5.259 4.043 1.00 0.00 C ATOM 1075 O ALA A 69 0.982 4.323 3.778 1.00 0.00 O ATOM 1076 CB ALA A 69 0.635 6.393 6.282 1.00 0.00 C ATOM 0 H ALA A 69 -0.115 3.382 5.564 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.253 5.948 5.408 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.713 7.358 5.782 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.216 6.533 7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.626 5.946 6.364 1.00 0.00 H new ATOM 1082 N LEU A 70 -0.205 6.146 3.159 1.00 0.00 N ATOM 1083 CA LEU A 70 0.194 6.069 1.764 1.00 0.00 C ATOM 1084 C LEU A 70 1.406 6.974 1.534 1.00 0.00 C ATOM 1085 O LEU A 70 1.502 8.051 2.121 1.00 0.00 O ATOM 1086 CB LEU A 70 -0.991 6.386 0.850 1.00 0.00 C ATOM 1087 CG LEU A 70 -0.741 6.227 -0.652 1.00 0.00 C ATOM 1088 CD1 LEU A 70 0.088 7.392 -1.195 1.00 0.00 C ATOM 1089 CD2 LEU A 70 -0.099 4.873 -0.961 1.00 0.00 C ATOM 0 H LEU A 70 -0.829 6.921 3.382 1.00 0.00 H new ATOM 0 HA LEU A 70 0.500 5.054 1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.823 5.740 1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.306 7.412 1.039 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.703 6.250 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.252 7.255 -2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.445 8.328 -1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.049 7.425 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.068 4.786 -2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.854 4.794 -0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.761 4.073 -0.631 1.00 0.00 H new ATOM 1101 N TYR A 71 2.303 6.503 0.680 1.00 0.00 N ATOM 1102 CA TYR A 71 3.505 7.255 0.365 1.00 0.00 C ATOM 1103 C TYR A 71 3.802 7.213 -1.135 1.00 0.00 C ATOM 1104 O TYR A 71 3.213 6.417 -1.866 1.00 0.00 O ATOM 1105 CB TYR A 71 4.644 6.564 1.118 1.00 0.00 C ATOM 1106 CG TYR A 71 4.687 6.887 2.613 1.00 0.00 C ATOM 1107 CD1 TYR A 71 3.695 6.417 3.449 1.00 0.00 C ATOM 1108 CD2 TYR A 71 5.719 7.648 3.125 1.00 0.00 C ATOM 1109 CE1 TYR A 71 3.736 6.720 4.856 1.00 0.00 C ATOM 1110 CE2 TYR A 71 5.760 7.951 4.532 1.00 0.00 C ATOM 1111 CZ TYR A 71 4.767 7.472 5.328 1.00 0.00 C ATOM 1112 OH TYR A 71 4.805 7.759 6.657 1.00 0.00 O ATOM 0 H TYR A 71 2.221 5.609 0.196 1.00 0.00 H new ATOM 0 HA TYR A 71 3.389 8.301 0.650 1.00 0.00 H new ATOM 0 HB2 TYR A 71 4.547 5.486 0.992 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.593 6.854 0.667 1.00 0.00 H new ATOM 0 HD1 TYR A 71 2.888 5.822 3.048 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.495 8.016 2.470 1.00 0.00 H new ATOM 0 HE1 TYR A 71 2.966 6.359 5.521 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.561 8.545 4.946 1.00 0.00 H new ATOM 0 HH TYR A 71 4.031 7.354 7.101 1.00 0.00 H new ATOM 1122 N THR A 72 4.714 8.080 -1.550 1.00 0.00 N ATOM 1123 CA THR A 72 5.096 8.152 -2.950 1.00 0.00 C ATOM 1124 C THR A 72 6.607 7.970 -3.101 1.00 0.00 C ATOM 1125 O THR A 72 7.380 8.451 -2.273 1.00 0.00 O ATOM 1126 CB THR A 72 4.584 9.479 -3.512 1.00 0.00 C ATOM 1127 OG1 THR A 72 4.799 10.410 -2.455 1.00 0.00 O ATOM 1128 CG2 THR A 72 3.068 9.486 -3.712 1.00 0.00 C ATOM 0 H THR A 72 5.200 8.739 -0.941 1.00 0.00 H new ATOM 0 HA THR A 72 4.645 7.344 -3.525 1.00 0.00 H new ATOM 0 HB THR A 72 5.076 9.683 -4.463 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.496 11.299 -2.735 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.758 10.451 -4.113 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.790 8.697 -4.411 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.574 9.315 -2.756 1.00 0.00 H new ATOM 1136 N LEU A 73 6.985 7.274 -4.163 1.00 0.00 N ATOM 1137 CA LEU A 73 8.390 7.023 -4.433 1.00 0.00 C ATOM 1138 C LEU A 73 8.910 8.068 -5.421 1.00 0.00 C ATOM 1139 O LEU A 73 8.261 8.355 -6.426 1.00 0.00 O ATOM 1140 CB LEU A 73 8.597 5.580 -4.898 1.00 0.00 C ATOM 1141 CG LEU A 73 10.015 5.215 -5.343 1.00 0.00 C ATOM 1142 CD1 LEU A 73 11.051 5.715 -4.336 1.00 0.00 C ATOM 1143 CD2 LEU A 73 10.140 3.712 -5.597 1.00 0.00 C ATOM 0 H LEU A 73 6.342 6.876 -4.847 1.00 0.00 H new ATOM 0 HA LEU A 73 8.977 7.127 -3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.310 4.913 -4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.916 5.385 -5.727 1.00 0.00 H new ATOM 0 HG LEU A 73 10.217 5.718 -6.288 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.050 5.442 -4.676 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.980 6.799 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.862 5.260 -3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.157 3.480 -5.912 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.911 3.168 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.441 3.416 -6.379 1.00 0.00 H new ATOM 1155 N SER A 74 10.077 8.609 -5.102 1.00 0.00 N ATOM 1156 CA SER A 74 10.692 9.616 -5.950 1.00 0.00 C ATOM 1157 C SER A 74 11.485 8.943 -7.072 1.00 0.00 C ATOM 1158 O SER A 74 12.450 8.227 -6.810 1.00 0.00 O ATOM 1159 CB SER A 74 11.601 10.540 -5.137 1.00 0.00 C ATOM 1160 OG SER A 74 10.872 11.597 -4.519 1.00 0.00 O ATOM 0 H SER A 74 10.613 8.369 -4.268 1.00 0.00 H new ATOM 0 HA SER A 74 9.900 10.224 -6.388 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.117 9.960 -4.372 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.367 10.960 -5.789 1.00 0.00 H new ATOM 0 HG SER A 74 11.487 12.164 -4.008 1.00 0.00 H new ATOM 1166 N GLY A 75 11.049 9.198 -8.297 1.00 0.00 N ATOM 1167 CA GLY A 75 11.707 8.625 -9.459 1.00 0.00 C ATOM 1168 C GLY A 75 13.128 9.173 -9.610 1.00 0.00 C ATOM 1169 O GLY A 75 13.982 8.532 -10.222 1.00 0.00 O ATOM 0 H GLY A 75 10.249 9.793 -8.510 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.740 7.540 -9.364 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.130 8.849 -10.356 1.00 0.00 H new ATOM 1173 N GLU A 76 13.337 10.351 -9.042 1.00 0.00 N ATOM 1174 CA GLU A 76 14.640 10.992 -9.106 1.00 0.00 C ATOM 1175 C GLU A 76 15.666 10.189 -8.304 1.00 0.00 C ATOM 1176 O GLU A 76 16.849 10.175 -8.641 1.00 0.00 O ATOM 1177 CB GLU A 76 14.565 12.437 -8.609 1.00 0.00 C ATOM 1178 CG GLU A 76 14.152 12.490 -7.137 1.00 0.00 C ATOM 1179 CD GLU A 76 12.830 13.240 -6.965 1.00 0.00 C ATOM 1180 OE1 GLU A 76 11.875 12.879 -7.686 1.00 0.00 O ATOM 1181 OE2 GLU A 76 12.804 14.158 -6.116 1.00 0.00 O ATOM 0 H GLU A 76 12.626 10.879 -8.535 1.00 0.00 H new ATOM 0 HA GLU A 76 14.961 11.017 -10.148 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.534 12.920 -8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 76 13.849 12.996 -9.212 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.053 11.477 -6.747 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.931 12.981 -6.554 1.00 0.00 H new ATOM 1188 N THR A 77 15.176 9.540 -7.258 1.00 0.00 N ATOM 1189 CA THR A 77 16.035 8.737 -6.405 1.00 0.00 C ATOM 1190 C THR A 77 15.362 7.405 -6.072 1.00 0.00 C ATOM 1191 O THR A 77 14.633 6.851 -6.894 1.00 0.00 O ATOM 1192 CB THR A 77 16.384 9.568 -5.168 1.00 0.00 C ATOM 1193 OG1 THR A 77 15.147 9.686 -4.470 1.00 0.00 O ATOM 1194 CG2 THR A 77 16.754 11.011 -5.517 1.00 0.00 C ATOM 0 H THR A 77 14.194 9.554 -6.982 1.00 0.00 H new ATOM 0 HA THR A 77 16.964 8.477 -6.912 1.00 0.00 H new ATOM 0 HB THR A 77 17.213 9.099 -4.638 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.281 10.210 -3.653 1.00 0.00 H new ATOM 0 HG21 THR A 77 16.993 11.556 -4.604 1.00 0.00 H new ATOM 0 HG22 THR A 77 17.620 11.015 -6.179 1.00 0.00 H new ATOM 0 HG23 THR A 77 15.913 11.491 -6.017 1.00 0.00 H new ATOM 1202 N GLU A 78 15.629 6.928 -4.865 1.00 0.00 N ATOM 1203 CA GLU A 78 15.058 5.671 -4.413 1.00 0.00 C ATOM 1204 C GLU A 78 14.281 5.878 -3.112 1.00 0.00 C ATOM 1205 O GLU A 78 13.697 4.937 -2.577 1.00 0.00 O ATOM 1206 CB GLU A 78 16.143 4.606 -4.240 1.00 0.00 C ATOM 1207 CG GLU A 78 17.526 5.248 -4.115 1.00 0.00 C ATOM 1208 CD GLU A 78 18.546 4.251 -3.563 1.00 0.00 C ATOM 1209 OE1 GLU A 78 18.291 3.036 -3.713 1.00 0.00 O ATOM 1210 OE2 GLU A 78 19.558 4.725 -3.002 1.00 0.00 O ATOM 0 H GLU A 78 16.234 7.390 -4.186 1.00 0.00 H new ATOM 0 HA GLU A 78 14.364 5.315 -5.175 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.934 4.009 -3.352 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.129 3.926 -5.092 1.00 0.00 H new ATOM 0 HG2 GLU A 78 17.854 5.606 -5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 78 17.470 6.117 -3.459 1.00 0.00 H new ATOM 1217 N GLU A 79 14.299 7.116 -2.640 1.00 0.00 N ATOM 1218 CA GLU A 79 13.603 7.459 -1.411 1.00 0.00 C ATOM 1219 C GLU A 79 12.116 7.688 -1.690 1.00 0.00 C ATOM 1220 O GLU A 79 11.719 7.886 -2.837 1.00 0.00 O ATOM 1221 CB GLU A 79 14.232 8.686 -0.749 1.00 0.00 C ATOM 1222 CG GLU A 79 15.608 8.352 -0.170 1.00 0.00 C ATOM 1223 CD GLU A 79 16.629 8.114 -1.284 1.00 0.00 C ATOM 1224 OE1 GLU A 79 16.920 9.092 -2.005 1.00 0.00 O ATOM 1225 OE2 GLU A 79 17.096 6.959 -1.389 1.00 0.00 O ATOM 0 H GLU A 79 14.785 7.894 -3.086 1.00 0.00 H new ATOM 0 HA GLU A 79 13.698 6.624 -0.717 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.326 9.489 -1.480 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.579 9.051 0.044 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.945 9.168 0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.536 7.464 0.458 1.00 0.00 H new ATOM 1232 N LEU A 80 11.335 7.654 -0.620 1.00 0.00 N ATOM 1233 CA LEU A 80 9.900 7.856 -0.735 1.00 0.00 C ATOM 1234 C LEU A 80 9.530 9.212 -0.131 1.00 0.00 C ATOM 1235 O LEU A 80 10.407 10.009 0.199 1.00 0.00 O ATOM 1236 CB LEU A 80 9.143 6.679 -0.116 1.00 0.00 C ATOM 1237 CG LEU A 80 9.287 5.336 -0.834 1.00 0.00 C ATOM 1238 CD1 LEU A 80 9.669 4.227 0.148 1.00 0.00 C ATOM 1239 CD2 LEU A 80 8.018 4.995 -1.618 1.00 0.00 C ATOM 0 H LEU A 80 11.668 7.490 0.330 1.00 0.00 H new ATOM 0 HA LEU A 80 9.601 7.882 -1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.481 6.556 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.084 6.935 -0.075 1.00 0.00 H new ATOM 0 HG LEU A 80 10.099 5.420 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.765 3.283 -0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.619 4.473 0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.896 4.134 0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.147 4.036 -2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.172 4.936 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.830 5.770 -2.361 1.00 0.00 H new ATOM 1251 N SER A 81 8.230 9.432 -0.004 1.00 0.00 N ATOM 1252 CA SER A 81 7.733 10.678 0.554 1.00 0.00 C ATOM 1253 C SER A 81 6.369 10.451 1.210 1.00 0.00 C ATOM 1254 O SER A 81 5.502 9.795 0.635 1.00 0.00 O ATOM 1255 CB SER A 81 7.630 11.762 -0.521 1.00 0.00 C ATOM 1256 OG SER A 81 7.074 12.970 -0.010 1.00 0.00 O ATOM 0 H SER A 81 7.506 8.768 -0.278 1.00 0.00 H new ATOM 0 HA SER A 81 8.441 11.020 1.309 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.621 11.963 -0.929 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.014 11.399 -1.344 1.00 0.00 H new ATOM 0 HG SER A 81 7.027 13.637 -0.726 1.00 0.00 H new ATOM 1262 N ARG A 82 6.223 11.005 2.405 1.00 0.00 N ATOM 1263 CA ARG A 82 4.980 10.871 3.145 1.00 0.00 C ATOM 1264 C ARG A 82 3.866 11.664 2.459 1.00 0.00 C ATOM 1265 O ARG A 82 3.794 12.885 2.595 1.00 0.00 O ATOM 1266 CB ARG A 82 5.139 11.366 4.583 1.00 0.00 C ATOM 1267 CG ARG A 82 3.844 11.177 5.375 1.00 0.00 C ATOM 1268 CD ARG A 82 3.625 12.332 6.353 1.00 0.00 C ATOM 1269 NE ARG A 82 2.378 13.054 6.014 1.00 0.00 N ATOM 1270 CZ ARG A 82 2.007 14.215 6.570 1.00 0.00 C ATOM 1271 NH1 ARG A 82 2.784 14.794 7.495 1.00 0.00 N ATOM 1272 NH2 ARG A 82 0.858 14.798 6.201 1.00 0.00 N ATOM 0 H ARG A 82 6.945 11.548 2.879 1.00 0.00 H new ATOM 0 HA ARG A 82 4.718 9.813 3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.950 10.824 5.070 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.417 12.420 4.580 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.000 11.112 4.688 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.883 10.235 5.922 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.568 11.950 7.372 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.473 13.016 6.316 1.00 0.00 H new ATOM 0 HE ARG A 82 1.762 12.642 5.313 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.659 14.351 7.776 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.501 15.678 7.918 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.266 14.358 5.497 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.576 15.682 6.624 1.00 0.00 H new ATOM 1286 N LEU A 83 3.024 10.939 1.737 1.00 0.00 N ATOM 1287 CA LEU A 83 1.917 11.560 1.031 1.00 0.00 C ATOM 1288 C LEU A 83 0.846 11.983 2.039 1.00 0.00 C ATOM 1289 O LEU A 83 0.551 13.169 2.175 1.00 0.00 O ATOM 1290 CB LEU A 83 1.395 10.633 -0.068 1.00 0.00 C ATOM 1291 CG LEU A 83 0.275 11.196 -0.946 1.00 0.00 C ATOM 1292 CD1 LEU A 83 0.709 12.501 -1.617 1.00 0.00 C ATOM 1293 CD2 LEU A 83 -0.198 10.158 -1.965 1.00 0.00 C ATOM 0 H LEU A 83 3.087 9.927 1.626 1.00 0.00 H new ATOM 0 HA LEU A 83 2.250 12.464 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.231 10.359 -0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.037 9.715 0.398 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.576 11.429 -0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.105 12.880 -2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.958 13.238 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.583 12.316 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.994 10.584 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.636 9.870 -2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.574 9.279 -1.441 1.00 0.00 H new ATOM 1305 N ALA A 84 0.295 10.989 2.720 1.00 0.00 N ATOM 1306 CA ALA A 84 -0.736 11.243 3.711 1.00 0.00 C ATOM 1307 C ALA A 84 -0.777 10.082 4.707 1.00 0.00 C ATOM 1308 O ALA A 84 -0.184 9.031 4.466 1.00 0.00 O ATOM 1309 CB ALA A 84 -2.079 11.456 3.009 1.00 0.00 C ATOM 0 H ALA A 84 0.543 10.006 2.605 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.514 12.151 4.271 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.852 11.647 3.753 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.006 12.309 2.335 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.337 10.564 2.438 1.00 0.00 H new ATOM 1315 N GLY A 85 -1.483 10.310 5.805 1.00 0.00 N ATOM 1316 CA GLY A 85 -1.609 9.296 6.838 1.00 0.00 C ATOM 1317 C GLY A 85 -0.876 9.718 8.113 1.00 0.00 C ATOM 1318 O GLY A 85 -1.408 10.484 8.914 1.00 0.00 O ATOM 0 H GLY A 85 -1.974 11.182 6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.663 9.126 7.059 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.203 8.351 6.477 1.00 0.00 H new ATOM 1322 N TYR A 86 0.335 9.199 8.261 1.00 0.00 N ATOM 1323 CA TYR A 86 1.146 9.513 9.425 1.00 0.00 C ATOM 1324 C TYR A 86 2.342 8.565 9.531 1.00 0.00 C ATOM 1325 O TYR A 86 2.189 7.351 9.401 1.00 0.00 O ATOM 1326 CB TYR A 86 0.238 9.309 10.639 1.00 0.00 C ATOM 1327 CG TYR A 86 -0.284 10.610 11.252 1.00 0.00 C ATOM 1328 CD1 TYR A 86 0.598 11.615 11.592 1.00 0.00 C ATOM 1329 CD2 TYR A 86 -1.637 10.778 11.464 1.00 0.00 C ATOM 1330 CE1 TYR A 86 0.106 12.839 12.169 1.00 0.00 C ATOM 1331 CE2 TYR A 86 -2.129 12.002 12.041 1.00 0.00 C ATOM 1332 CZ TYR A 86 -1.233 12.973 12.365 1.00 0.00 C ATOM 1333 OH TYR A 86 -1.697 14.129 12.909 1.00 0.00 O ATOM 0 H TYR A 86 0.773 8.564 7.594 1.00 0.00 H new ATOM 0 HA TYR A 86 1.534 10.530 9.360 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.611 8.692 10.345 1.00 0.00 H new ATOM 0 HB3 TYR A 86 0.786 8.755 11.401 1.00 0.00 H new ATOM 0 HD1 TYR A 86 1.657 11.484 11.425 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.327 9.991 11.197 1.00 0.00 H new ATOM 0 HE1 TYR A 86 0.786 13.633 12.440 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -3.186 12.146 12.213 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.673 14.084 12.989 1.00 0.00 H new ATOM 1343 N GLY A 87 3.505 9.154 9.766 1.00 0.00 N ATOM 1344 CA GLY A 87 4.726 8.376 9.892 1.00 0.00 C ATOM 1345 C GLY A 87 5.959 9.247 9.640 1.00 0.00 C ATOM 1346 O GLY A 87 5.943 10.446 9.916 1.00 0.00 O ATOM 0 H GLY A 87 3.628 10.161 9.873 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.782 7.940 10.889 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.709 7.549 9.182 1.00 0.00 H new ATOM 1350 N PRO A 88 7.025 8.594 9.106 1.00 0.00 N ATOM 1351 CA PRO A 88 8.263 9.295 8.814 1.00 0.00 C ATOM 1352 C PRO A 88 8.121 10.160 7.560 1.00 0.00 C ATOM 1353 O PRO A 88 7.731 9.667 6.502 1.00 0.00 O ATOM 1354 CB PRO A 88 9.309 8.202 8.666 1.00 0.00 C ATOM 1355 CG PRO A 88 8.536 6.916 8.420 1.00 0.00 C ATOM 1356 CD PRO A 88 7.079 7.175 8.767 1.00 0.00 C ATOM 0 HA PRO A 88 8.546 9.994 9.601 1.00 0.00 H new ATOM 0 HB2 PRO A 88 9.984 8.417 7.837 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.922 8.124 9.564 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.631 6.606 7.379 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.936 6.107 9.031 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.425 6.944 7.927 1.00 0.00 H new ATOM 0 HD3 PRO A 88 6.755 6.556 9.603 1.00 0.00 H new ATOM 1364 N ARG A 89 8.444 11.435 7.719 1.00 0.00 N ATOM 1365 CA ARG A 89 8.358 12.373 6.613 1.00 0.00 C ATOM 1366 C ARG A 89 8.805 11.703 5.312 1.00 0.00 C ATOM 1367 O ARG A 89 8.150 11.843 4.281 1.00 0.00 O ATOM 1368 CB ARG A 89 9.226 13.607 6.868 1.00 0.00 C ATOM 1369 CG ARG A 89 8.995 14.671 5.793 1.00 0.00 C ATOM 1370 CD ARG A 89 8.846 16.059 6.419 1.00 0.00 C ATOM 1371 NE ARG A 89 7.436 16.503 6.336 1.00 0.00 N ATOM 1372 CZ ARG A 89 6.956 17.595 6.946 1.00 0.00 C ATOM 1373 NH1 ARG A 89 7.768 18.361 7.686 1.00 0.00 N ATOM 1374 NH2 ARG A 89 5.662 17.921 6.815 1.00 0.00 N ATOM 0 H ARG A 89 8.766 11.841 8.598 1.00 0.00 H new ATOM 0 HA ARG A 89 7.318 12.687 6.525 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.996 14.021 7.850 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.277 13.320 6.881 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.830 14.672 5.092 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.099 14.428 5.222 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.167 16.034 7.460 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.491 16.771 5.904 1.00 0.00 H new ATOM 0 HE ARG A 89 6.790 15.943 5.780 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.752 18.113 7.785 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.402 19.192 8.150 1.00 0.00 H new ATOM 0 HH21 ARG A 89 5.044 17.338 6.251 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.296 18.752 7.279 1.00 0.00 H new ATOM 1388 N THR A 90 9.918 10.989 5.404 1.00 0.00 N ATOM 1389 CA THR A 90 10.460 10.297 4.247 1.00 0.00 C ATOM 1390 C THR A 90 10.895 8.881 4.629 1.00 0.00 C ATOM 1391 O THR A 90 10.954 8.543 5.810 1.00 0.00 O ATOM 1392 CB THR A 90 11.596 11.148 3.677 1.00 0.00 C ATOM 1393 OG1 THR A 90 10.931 12.132 2.889 1.00 0.00 O ATOM 1394 CG2 THR A 90 12.453 10.381 2.668 1.00 0.00 C ATOM 0 H THR A 90 10.459 10.875 6.261 1.00 0.00 H new ATOM 0 HA THR A 90 9.705 10.174 3.470 1.00 0.00 H new ATOM 0 HB THR A 90 12.226 11.504 4.492 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.594 12.729 2.483 1.00 0.00 H new ATOM 0 HG21 THR A 90 13.244 11.031 2.294 1.00 0.00 H new ATOM 0 HG22 THR A 90 12.896 9.512 3.154 1.00 0.00 H new ATOM 0 HG23 THR A 90 11.830 10.053 1.836 1.00 0.00 H new ATOM 1402 N VAL A 91 11.188 8.090 3.607 1.00 0.00 N ATOM 1403 CA VAL A 91 11.616 6.718 3.820 1.00 0.00 C ATOM 1404 C VAL A 91 12.744 6.382 2.843 1.00 0.00 C ATOM 1405 O VAL A 91 12.729 6.826 1.696 1.00 0.00 O ATOM 1406 CB VAL A 91 10.420 5.772 3.700 1.00 0.00 C ATOM 1407 CG1 VAL A 91 10.871 4.311 3.732 1.00 0.00 C ATOM 1408 CG2 VAL A 91 9.387 6.052 4.794 1.00 0.00 C ATOM 0 H VAL A 91 11.137 8.374 2.629 1.00 0.00 H new ATOM 0 HA VAL A 91 12.012 6.594 4.828 1.00 0.00 H new ATOM 0 HB VAL A 91 9.944 5.954 2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 91 10.001 3.660 3.645 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.551 4.122 2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.383 4.109 4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.547 5.366 4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.846 5.912 5.773 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.031 7.078 4.704 1.00 0.00 H new ATOM 1418 N THR A 92 13.696 5.601 3.333 1.00 0.00 N ATOM 1419 CA THR A 92 14.829 5.201 2.517 1.00 0.00 C ATOM 1420 C THR A 92 14.850 3.681 2.341 1.00 0.00 C ATOM 1421 O THR A 92 14.177 2.959 3.075 1.00 0.00 O ATOM 1422 CB THR A 92 16.099 5.755 3.167 1.00 0.00 C ATOM 1423 OG1 THR A 92 16.303 4.915 4.300 1.00 0.00 O ATOM 1424 CG2 THR A 92 15.890 7.146 3.767 1.00 0.00 C ATOM 0 H THR A 92 13.705 5.235 4.285 1.00 0.00 H new ATOM 0 HA THR A 92 14.756 5.612 1.510 1.00 0.00 H new ATOM 0 HB THR A 92 16.898 5.796 2.427 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.108 5.202 4.780 1.00 0.00 H new ATOM 0 HG21 THR A 92 16.821 7.493 4.215 1.00 0.00 H new ATOM 0 HG22 THR A 92 15.585 7.839 2.982 1.00 0.00 H new ATOM 0 HG23 THR A 92 15.115 7.100 4.532 1.00 0.00 H new ATOM 1432 N PRO A 93 15.650 3.229 1.339 1.00 0.00 N ATOM 1433 CA PRO A 93 15.767 1.808 1.058 1.00 0.00 C ATOM 1434 C PRO A 93 16.632 1.111 2.109 1.00 0.00 C ATOM 1435 O PRO A 93 16.759 -0.113 2.102 1.00 0.00 O ATOM 1436 CB PRO A 93 16.356 1.732 -0.341 1.00 0.00 C ATOM 1437 CG PRO A 93 16.977 3.093 -0.608 1.00 0.00 C ATOM 1438 CD PRO A 93 16.462 4.055 0.450 1.00 0.00 C ATOM 0 HA PRO A 93 14.809 1.290 1.102 1.00 0.00 H new ATOM 0 HB2 PRO A 93 17.104 0.942 -0.407 1.00 0.00 H new ATOM 0 HB3 PRO A 93 15.585 1.504 -1.077 1.00 0.00 H new ATOM 0 HG2 PRO A 93 18.065 3.031 -0.570 1.00 0.00 H new ATOM 0 HG3 PRO A 93 16.712 3.445 -1.605 1.00 0.00 H new ATOM 0 HD2 PRO A 93 17.283 4.527 0.989 1.00 0.00 H new ATOM 0 HD3 PRO A 93 15.871 4.855 0.004 1.00 0.00 H new ATOM 1446 N ALA A 94 17.204 1.919 2.990 1.00 0.00 N ATOM 1447 CA ALA A 94 18.053 1.394 4.046 1.00 0.00 C ATOM 1448 C ALA A 94 17.198 1.088 5.277 1.00 0.00 C ATOM 1449 O ALA A 94 17.655 0.422 6.204 1.00 0.00 O ATOM 1450 CB ALA A 94 19.171 2.395 4.347 1.00 0.00 C ATOM 0 H ALA A 94 17.096 2.933 2.994 1.00 0.00 H new ATOM 0 HA ALA A 94 18.524 0.463 3.732 1.00 0.00 H new ATOM 0 HB1 ALA A 94 19.808 2.002 5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 94 19.767 2.556 3.449 1.00 0.00 H new ATOM 0 HB3 ALA A 94 18.735 3.341 4.668 1.00 0.00 H new ATOM 1456 N MET A 95 15.972 1.589 5.246 1.00 0.00 N ATOM 1457 CA MET A 95 15.049 1.377 6.347 1.00 0.00 C ATOM 1458 C MET A 95 13.995 0.328 5.986 1.00 0.00 C ATOM 1459 O MET A 95 13.426 -0.315 6.867 1.00 0.00 O ATOM 1460 CB MET A 95 14.357 2.697 6.695 1.00 0.00 C ATOM 1461 CG MET A 95 15.273 3.592 7.532 1.00 0.00 C ATOM 1462 SD MET A 95 14.298 4.604 8.632 1.00 0.00 S ATOM 1463 CE MET A 95 12.944 5.026 7.548 1.00 0.00 C ATOM 0 H MET A 95 15.597 2.141 4.475 1.00 0.00 H new ATOM 0 HA MET A 95 15.615 1.015 7.206 1.00 0.00 H new ATOM 0 HB2 MET A 95 14.074 3.216 5.779 1.00 0.00 H new ATOM 0 HB3 MET A 95 13.438 2.496 7.245 1.00 0.00 H new ATOM 0 HG2 MET A 95 15.967 2.979 8.107 1.00 0.00 H new ATOM 0 HG3 MET A 95 15.873 4.225 6.878 1.00 0.00 H new ATOM 0 HE1 MET A 95 12.481 5.953 7.888 1.00 0.00 H new ATOM 0 HE2 MET A 95 13.318 5.158 6.533 1.00 0.00 H new ATOM 0 HE3 MET A 95 12.205 4.225 7.561 1.00 0.00 H new ATOM 1473 N VAL A 96 13.768 0.186 4.689 1.00 0.00 N ATOM 1474 CA VAL A 96 12.793 -0.774 4.200 1.00 0.00 C ATOM 1475 C VAL A 96 13.275 -2.190 4.518 1.00 0.00 C ATOM 1476 O VAL A 96 14.351 -2.597 4.081 1.00 0.00 O ATOM 1477 CB VAL A 96 12.540 -0.549 2.708 1.00 0.00 C ATOM 1478 CG1 VAL A 96 13.808 -0.810 1.892 1.00 0.00 C ATOM 1479 CG2 VAL A 96 11.381 -1.416 2.212 1.00 0.00 C ATOM 0 H VAL A 96 14.243 0.720 3.961 1.00 0.00 H new ATOM 0 HA VAL A 96 11.836 -0.636 4.702 1.00 0.00 H new ATOM 0 HB VAL A 96 12.261 0.495 2.569 1.00 0.00 H new ATOM 0 HG11 VAL A 96 13.601 -0.643 0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.597 -0.133 2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 96 14.130 -1.841 2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 96 11.222 -1.237 1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.619 -2.468 2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.475 -1.162 2.762 1.00 0.00 H new ATOM 1489 N GLU A 97 12.456 -2.904 5.277 1.00 0.00 N ATOM 1490 CA GLU A 97 12.786 -4.266 5.659 1.00 0.00 C ATOM 1491 C GLU A 97 12.464 -5.230 4.515 1.00 0.00 C ATOM 1492 O GLU A 97 13.317 -6.013 4.099 1.00 0.00 O ATOM 1493 CB GLU A 97 12.051 -4.670 6.939 1.00 0.00 C ATOM 1494 CG GLU A 97 12.508 -6.048 7.422 1.00 0.00 C ATOM 1495 CD GLU A 97 14.035 -6.148 7.431 1.00 0.00 C ATOM 1496 OE1 GLU A 97 14.663 -5.195 7.942 1.00 0.00 O ATOM 1497 OE2 GLU A 97 14.540 -7.174 6.927 1.00 0.00 O ATOM 0 H GLU A 97 11.564 -2.564 5.638 1.00 0.00 H new ATOM 0 HA GLU A 97 13.856 -4.317 5.862 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.234 -3.929 7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 97 10.976 -4.682 6.757 1.00 0.00 H new ATOM 0 HG2 GLU A 97 12.122 -6.232 8.425 1.00 0.00 H new ATOM 0 HG3 GLU A 97 12.093 -6.820 6.774 1.00 0.00 H new ATOM 1504 N GLY A 98 11.231 -5.143 4.039 1.00 0.00 N ATOM 1505 CA GLY A 98 10.785 -5.998 2.951 1.00 0.00 C ATOM 1506 C GLY A 98 9.914 -5.219 1.963 1.00 0.00 C ATOM 1507 O GLY A 98 9.232 -4.270 2.346 1.00 0.00 O ATOM 0 H GLY A 98 10.526 -4.493 4.387 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.649 -6.412 2.431 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.221 -6.840 3.353 1.00 0.00 H new ATOM 1511 N ILE A 99 9.965 -5.651 0.712 1.00 0.00 N ATOM 1512 CA ILE A 99 9.189 -5.006 -0.334 1.00 0.00 C ATOM 1513 C ILE A 99 8.220 -6.021 -0.943 1.00 0.00 C ATOM 1514 O ILE A 99 8.450 -7.227 -0.868 1.00 0.00 O ATOM 1515 CB ILE A 99 10.114 -4.348 -1.360 1.00 0.00 C ATOM 1516 CG1 ILE A 99 11.462 -5.069 -1.425 1.00 0.00 C ATOM 1517 CG2 ILE A 99 10.277 -2.854 -1.072 1.00 0.00 C ATOM 1518 CD1 ILE A 99 12.276 -4.601 -2.632 1.00 0.00 C ATOM 0 H ILE A 99 10.531 -6.439 0.399 1.00 0.00 H new ATOM 0 HA ILE A 99 8.587 -4.198 0.082 1.00 0.00 H new ATOM 0 HB ILE A 99 9.653 -4.438 -2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 99 12.023 -4.882 -0.509 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.300 -6.145 -1.486 1.00 0.00 H new ATOM 0 HG21 ILE A 99 10.939 -2.410 -1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.303 -2.367 -1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 99 10.705 -2.720 -0.079 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.229 -5.129 -2.655 1.00 0.00 H new ATOM 0 HD12 ILE A 99 11.723 -4.811 -3.547 1.00 0.00 H new ATOM 0 HD13 ILE A 99 12.457 -3.529 -2.555 1.00 0.00 H new ATOM 1530 N TYR A 100 7.156 -5.496 -1.532 1.00 0.00 N ATOM 1531 CA TYR A 100 6.150 -6.341 -2.153 1.00 0.00 C ATOM 1532 C TYR A 100 5.572 -5.677 -3.404 1.00 0.00 C ATOM 1533 O TYR A 100 5.820 -4.499 -3.657 1.00 0.00 O ATOM 1534 CB TYR A 100 5.037 -6.505 -1.116 1.00 0.00 C ATOM 1535 CG TYR A 100 5.540 -6.857 0.285 1.00 0.00 C ATOM 1536 CD1 TYR A 100 6.142 -5.891 1.065 1.00 0.00 C ATOM 1537 CD2 TYR A 100 5.390 -8.141 0.769 1.00 0.00 C ATOM 1538 CE1 TYR A 100 6.615 -6.222 2.384 1.00 0.00 C ATOM 1539 CE2 TYR A 100 5.863 -8.472 2.089 1.00 0.00 C ATOM 1540 CZ TYR A 100 6.452 -7.497 2.831 1.00 0.00 C ATOM 1541 OH TYR A 100 6.898 -7.810 4.077 1.00 0.00 O ATOM 0 H TYR A 100 6.968 -4.495 -1.592 1.00 0.00 H new ATOM 0 HA TYR A 100 6.584 -7.295 -2.455 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.464 -5.579 -1.063 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.353 -7.284 -1.452 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.258 -4.886 0.686 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.918 -8.897 0.159 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.088 -5.475 3.004 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.752 -9.472 2.480 1.00 0.00 H new ATOM 0 HH TYR A 100 6.714 -8.754 4.263 1.00 0.00 H new ATOM 1551 N LYS A 101 4.812 -6.461 -4.155 1.00 0.00 N ATOM 1552 CA LYS A 101 4.197 -5.963 -5.373 1.00 0.00 C ATOM 1553 C LYS A 101 2.724 -6.377 -5.401 1.00 0.00 C ATOM 1554 O LYS A 101 2.207 -6.911 -4.421 1.00 0.00 O ATOM 1555 CB LYS A 101 4.988 -6.423 -6.599 1.00 0.00 C ATOM 1556 CG LYS A 101 5.015 -7.950 -6.694 1.00 0.00 C ATOM 1557 CD LYS A 101 3.973 -8.456 -7.692 1.00 0.00 C ATOM 1558 CE LYS A 101 4.591 -9.456 -8.671 1.00 0.00 C ATOM 1559 NZ LYS A 101 3.865 -9.437 -9.960 1.00 0.00 N ATOM 0 H LYS A 101 4.608 -7.438 -3.943 1.00 0.00 H new ATOM 0 HA LYS A 101 4.223 -4.874 -5.395 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.541 -6.007 -7.502 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.007 -6.041 -6.543 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.007 -8.281 -7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.823 -8.382 -5.712 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.150 -8.928 -7.156 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.553 -7.614 -8.243 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.641 -9.212 -8.835 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.560 -10.458 -8.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.455 -9.872 -10.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.978 -9.971 -9.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.651 -8.454 -10.224 1.00 0.00 H new ATOM 1573 N TYR A 102 2.090 -6.115 -6.535 1.00 0.00 N ATOM 1574 CA TYR A 102 0.687 -6.453 -6.703 1.00 0.00 C ATOM 1575 C TYR A 102 0.446 -7.136 -8.051 1.00 0.00 C ATOM 1576 O TYR A 102 0.595 -6.514 -9.102 1.00 0.00 O ATOM 1577 CB TYR A 102 -0.073 -5.126 -6.674 1.00 0.00 C ATOM 1578 CG TYR A 102 -1.544 -5.242 -7.080 1.00 0.00 C ATOM 1579 CD1 TYR A 102 -1.894 -5.232 -8.415 1.00 0.00 C ATOM 1580 CD2 TYR A 102 -2.520 -5.357 -6.111 1.00 0.00 C ATOM 1581 CE1 TYR A 102 -3.278 -5.342 -8.797 1.00 0.00 C ATOM 1582 CE2 TYR A 102 -3.904 -5.467 -6.493 1.00 0.00 C ATOM 1583 CZ TYR A 102 -4.215 -5.453 -7.817 1.00 0.00 C ATOM 1584 OH TYR A 102 -5.522 -5.557 -8.177 1.00 0.00 O ATOM 0 H TYR A 102 2.522 -5.673 -7.346 1.00 0.00 H new ATOM 0 HA TYR A 102 0.361 -7.138 -5.921 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -0.016 -4.708 -5.669 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.423 -4.421 -7.341 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.130 -5.142 -9.173 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.246 -5.364 -5.066 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.566 -5.337 -9.838 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -4.678 -5.559 -5.745 1.00 0.00 H new ATOM 0 HH TYR A 102 -5.991 -6.138 -7.542 1.00 0.00 H new ATOM 1594 N ASN A 103 0.078 -8.407 -7.977 1.00 0.00 N ATOM 1595 CA ASN A 103 -0.185 -9.181 -9.178 1.00 0.00 C ATOM 1596 C ASN A 103 -1.431 -8.627 -9.874 1.00 0.00 C ATOM 1597 O ASN A 103 -2.554 -8.897 -9.451 1.00 0.00 O ATOM 1598 CB ASN A 103 -0.446 -10.650 -8.841 1.00 0.00 C ATOM 1599 CG ASN A 103 0.733 -11.254 -8.075 1.00 0.00 C ATOM 1600 OD1 ASN A 103 1.911 -11.076 -8.666 1.00 0.00 O flip ATOM 1601 ND2 ASN A 103 0.583 -11.843 -7.017 1.00 0.00 N flip ATOM 0 H ASN A 103 -0.044 -8.920 -7.104 1.00 0.00 H new ATOM 0 HA ASN A 103 0.690 -9.109 -9.823 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -1.354 -10.734 -8.244 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -0.615 -11.213 -9.759 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.350 -11.944 -6.618 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.391 -12.234 -6.532 1.00 0.00 H new ATOM 1608 N SER A 104 -1.190 -7.864 -10.929 1.00 0.00 N ATOM 1609 CA SER A 104 -2.278 -7.270 -11.688 1.00 0.00 C ATOM 1610 C SER A 104 -2.945 -8.332 -12.564 1.00 0.00 C ATOM 1611 O SER A 104 -3.894 -8.036 -13.289 1.00 0.00 O ATOM 1612 CB SER A 104 -1.779 -6.107 -12.548 1.00 0.00 C ATOM 1613 OG SER A 104 -2.248 -4.850 -12.070 1.00 0.00 O ATOM 0 H SER A 104 -0.257 -7.643 -11.277 1.00 0.00 H new ATOM 0 HA SER A 104 -3.012 -6.876 -10.984 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.689 -6.107 -12.560 1.00 0.00 H new ATOM 0 HB3 SER A 104 -2.109 -6.249 -13.577 1.00 0.00 H new ATOM 0 HG SER A 104 -2.202 -4.834 -11.091 1.00 0.00 H new ATOM 1619 N ASP A 105 -2.422 -9.545 -12.470 1.00 0.00 N ATOM 1620 CA ASP A 105 -2.955 -10.652 -13.245 1.00 0.00 C ATOM 1621 C ASP A 105 -3.743 -11.583 -12.322 1.00 0.00 C ATOM 1622 O ASP A 105 -4.683 -12.246 -12.758 1.00 0.00 O ATOM 1623 CB ASP A 105 -1.830 -11.466 -13.889 1.00 0.00 C ATOM 1624 CG ASP A 105 -1.586 -11.172 -15.370 1.00 0.00 C ATOM 1625 OD1 ASP A 105 -2.240 -10.236 -15.879 1.00 0.00 O ATOM 1626 OD2 ASP A 105 -0.750 -11.890 -15.960 1.00 0.00 O ATOM 0 H ASP A 105 -1.634 -9.786 -11.869 1.00 0.00 H new ATOM 0 HA ASP A 105 -3.594 -10.240 -14.026 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -0.907 -11.280 -13.340 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.059 -12.526 -13.777 1.00 0.00 H new ATOM 1631 N ARG A 106 -3.332 -11.603 -11.063 1.00 0.00 N ATOM 1632 CA ARG A 106 -3.988 -12.442 -10.074 1.00 0.00 C ATOM 1633 C ARG A 106 -4.683 -11.577 -9.021 1.00 0.00 C ATOM 1634 O ARG A 106 -5.260 -12.097 -8.068 1.00 0.00 O ATOM 1635 CB ARG A 106 -2.984 -13.367 -9.383 1.00 0.00 C ATOM 1636 CG ARG A 106 -2.575 -14.519 -10.303 1.00 0.00 C ATOM 1637 CD ARG A 106 -2.798 -15.870 -9.622 1.00 0.00 C ATOM 1638 NE ARG A 106 -3.396 -16.827 -10.580 1.00 0.00 N ATOM 1639 CZ ARG A 106 -3.486 -18.147 -10.367 1.00 0.00 C ATOM 1640 NH1 ARG A 106 -3.017 -18.675 -9.227 1.00 0.00 N ATOM 1641 NH2 ARG A 106 -4.044 -18.939 -11.292 1.00 0.00 N ATOM 0 H ARG A 106 -2.552 -11.051 -10.705 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.727 -13.051 -10.594 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.101 -12.798 -9.092 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.422 -13.766 -8.468 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -3.152 -14.474 -11.227 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.525 -14.415 -10.577 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.851 -16.260 -9.250 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.454 -15.748 -8.760 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.763 -16.458 -11.458 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.592 -18.072 -8.523 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.085 -19.680 -9.064 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.401 -18.537 -12.159 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.112 -19.944 -11.129 1.00 0.00 H new ATOM 1655 N LYS A 107 -4.604 -10.271 -9.229 1.00 0.00 N ATOM 1656 CA LYS A 107 -5.219 -9.328 -8.309 1.00 0.00 C ATOM 1657 C LYS A 107 -4.834 -9.697 -6.875 1.00 0.00 C ATOM 1658 O LYS A 107 -5.694 -9.780 -6.000 1.00 0.00 O ATOM 1659 CB LYS A 107 -6.729 -9.259 -8.543 1.00 0.00 C ATOM 1660 CG LYS A 107 -7.386 -10.618 -8.291 1.00 0.00 C ATOM 1661 CD LYS A 107 -8.911 -10.498 -8.288 1.00 0.00 C ATOM 1662 CE LYS A 107 -9.486 -10.789 -9.676 1.00 0.00 C ATOM 1663 NZ LYS A 107 -10.931 -10.470 -9.715 1.00 0.00 N ATOM 0 H LYS A 107 -4.124 -9.843 -10.021 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.846 -8.320 -8.490 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.169 -8.511 -7.884 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.928 -8.939 -9.566 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.075 -11.325 -9.060 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.047 -11.018 -7.335 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.333 -11.194 -7.562 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.200 -9.495 -7.974 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -8.957 -10.201 -10.426 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -9.332 -11.838 -9.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -11.306 -10.673 -10.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.434 -11.050 -9.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.070 -9.463 -9.496 1.00 0.00 H new ATOM 1677 N ARG A 108 -3.541 -9.909 -6.679 1.00 0.00 N ATOM 1678 CA ARG A 108 -3.032 -10.267 -5.366 1.00 0.00 C ATOM 1679 C ARG A 108 -1.717 -9.535 -5.088 1.00 0.00 C ATOM 1680 O ARG A 108 -1.308 -8.671 -5.862 1.00 0.00 O ATOM 1681 CB ARG A 108 -2.801 -11.776 -5.258 1.00 0.00 C ATOM 1682 CG ARG A 108 -4.051 -12.553 -5.673 1.00 0.00 C ATOM 1683 CD ARG A 108 -4.435 -13.583 -4.608 1.00 0.00 C ATOM 1684 NE ARG A 108 -4.086 -14.945 -5.073 1.00 0.00 N ATOM 1685 CZ ARG A 108 -4.326 -16.062 -4.372 1.00 0.00 C ATOM 1686 NH1 ARG A 108 -4.916 -15.986 -3.171 1.00 0.00 N ATOM 1687 NH2 ARG A 108 -3.975 -17.254 -4.872 1.00 0.00 N ATOM 0 H ARG A 108 -2.831 -9.840 -7.408 1.00 0.00 H new ATOM 0 HA ARG A 108 -3.779 -9.971 -4.629 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.962 -12.065 -5.891 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -2.532 -12.034 -4.234 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.878 -11.861 -5.830 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -3.872 -13.056 -6.623 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -3.916 -13.364 -3.675 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.503 -13.523 -4.401 1.00 0.00 H new ATOM 0 HE ARG A 108 -3.635 -15.039 -5.983 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -5.183 -15.078 -2.790 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -5.099 -16.836 -2.638 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -3.525 -17.311 -5.786 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -4.157 -18.104 -4.339 1.00 0.00 H new ATOM 1701 N PHE A 109 -1.092 -9.908 -3.982 1.00 0.00 N ATOM 1702 CA PHE A 109 0.168 -9.298 -3.592 1.00 0.00 C ATOM 1703 C PHE A 109 1.307 -10.320 -3.629 1.00 0.00 C ATOM 1704 O PHE A 109 1.073 -11.521 -3.499 1.00 0.00 O ATOM 1705 CB PHE A 109 -0.003 -8.795 -2.158 1.00 0.00 C ATOM 1706 CG PHE A 109 -0.029 -7.270 -2.033 1.00 0.00 C ATOM 1707 CD1 PHE A 109 -0.527 -6.513 -3.047 1.00 0.00 C ATOM 1708 CD2 PHE A 109 0.447 -6.672 -0.908 1.00 0.00 C ATOM 1709 CE1 PHE A 109 -0.551 -5.098 -2.930 1.00 0.00 C ATOM 1710 CE2 PHE A 109 0.423 -5.257 -0.791 1.00 0.00 C ATOM 1711 CZ PHE A 109 -0.075 -4.500 -1.805 1.00 0.00 C ATOM 0 H PHE A 109 -1.434 -10.625 -3.343 1.00 0.00 H new ATOM 0 HA PHE A 109 0.418 -8.490 -4.279 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -0.930 -9.199 -1.750 1.00 0.00 H new ATOM 0 HB3 PHE A 109 0.811 -9.186 -1.547 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -0.904 -6.988 -3.941 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.843 -7.274 -0.103 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -0.947 -4.496 -3.735 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.800 -4.782 0.103 1.00 0.00 H new ATOM 0 HZ PHE A 109 -0.093 -3.424 -1.717 1.00 0.00 H new ATOM 1721 N THR A 110 2.515 -9.806 -3.807 1.00 0.00 N ATOM 1722 CA THR A 110 3.690 -10.659 -3.862 1.00 0.00 C ATOM 1723 C THR A 110 4.894 -9.949 -3.239 1.00 0.00 C ATOM 1724 O THR A 110 4.908 -8.724 -3.128 1.00 0.00 O ATOM 1725 CB THR A 110 3.912 -11.064 -5.321 1.00 0.00 C ATOM 1726 OG1 THR A 110 2.729 -11.779 -5.666 1.00 0.00 O ATOM 1727 CG2 THR A 110 5.030 -12.096 -5.478 1.00 0.00 C ATOM 0 H THR A 110 2.705 -8.810 -3.915 1.00 0.00 H new ATOM 0 HA THR A 110 3.548 -11.567 -3.275 1.00 0.00 H new ATOM 0 HB THR A 110 4.149 -10.179 -5.912 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.149 -11.851 -4.879 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.146 -12.349 -6.532 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.964 -11.681 -5.099 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.777 -12.995 -4.915 1.00 0.00 H new ATOM 1735 N GLN A 111 5.875 -10.749 -2.849 1.00 0.00 N ATOM 1736 CA GLN A 111 7.081 -10.213 -2.240 1.00 0.00 C ATOM 1737 C GLN A 111 8.180 -10.050 -3.292 1.00 0.00 C ATOM 1738 O GLN A 111 8.231 -10.804 -4.263 1.00 0.00 O ATOM 1739 CB GLN A 111 7.553 -11.099 -1.086 1.00 0.00 C ATOM 1740 CG GLN A 111 9.022 -10.832 -0.755 1.00 0.00 C ATOM 1741 CD GLN A 111 9.343 -11.241 0.684 1.00 0.00 C ATOM 1742 OE1 GLN A 111 9.799 -12.339 0.958 1.00 0.00 O ATOM 1743 NE2 GLN A 111 9.081 -10.299 1.586 1.00 0.00 N ATOM 0 H GLN A 111 5.860 -11.765 -2.943 1.00 0.00 H new ATOM 0 HA GLN A 111 6.851 -9.230 -1.829 1.00 0.00 H new ATOM 0 HB2 GLN A 111 6.938 -10.913 -0.205 1.00 0.00 H new ATOM 0 HB3 GLN A 111 7.421 -12.148 -1.351 1.00 0.00 H new ATOM 0 HG2 GLN A 111 9.660 -11.384 -1.445 1.00 0.00 H new ATOM 0 HG3 GLN A 111 9.243 -9.774 -0.894 1.00 0.00 H new ATOM 0 HE21 GLN A 111 8.700 -9.401 1.289 1.00 0.00 H new ATOM 0 HE22 GLN A 111 9.261 -10.475 2.574 1.00 0.00 H new ATOM 1752 N ILE A 112 9.032 -9.062 -3.063 1.00 0.00 N ATOM 1753 CA ILE A 112 10.127 -8.792 -3.979 1.00 0.00 C ATOM 1754 C ILE A 112 11.391 -9.493 -3.477 1.00 0.00 C ATOM 1755 O ILE A 112 11.648 -9.531 -2.275 1.00 0.00 O ATOM 1756 CB ILE A 112 10.298 -7.284 -4.179 1.00 0.00 C ATOM 1757 CG1 ILE A 112 8.955 -6.560 -4.064 1.00 0.00 C ATOM 1758 CG2 ILE A 112 11.001 -6.983 -5.504 1.00 0.00 C ATOM 1759 CD1 ILE A 112 8.068 -6.857 -5.275 1.00 0.00 C ATOM 0 H ILE A 112 8.986 -8.439 -2.257 1.00 0.00 H new ATOM 0 HA ILE A 112 9.907 -9.199 -4.966 1.00 0.00 H new ATOM 0 HB ILE A 112 10.937 -6.904 -3.382 1.00 0.00 H new ATOM 0 HG12 ILE A 112 8.447 -6.871 -3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.122 -5.486 -3.986 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.110 -5.905 -5.621 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.986 -7.450 -5.508 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.409 -7.380 -6.329 1.00 0.00 H new ATOM 0 HD11 ILE A 112 7.119 -6.331 -5.169 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.569 -6.523 -6.184 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.883 -7.929 -5.336 1.00 0.00 H new ATOM 1771 N PRO A 113 12.167 -10.044 -4.449 1.00 0.00 N ATOM 1772 CA PRO A 113 13.398 -10.741 -4.118 1.00 0.00 C ATOM 1773 C PRO A 113 14.505 -9.753 -3.746 1.00 0.00 C ATOM 1774 O PRO A 113 15.580 -10.157 -3.305 1.00 0.00 O ATOM 1775 CB PRO A 113 13.728 -11.565 -5.352 1.00 0.00 C ATOM 1776 CG PRO A 113 12.932 -10.947 -6.490 1.00 0.00 C ATOM 1777 CD PRO A 113 11.894 -10.017 -5.883 1.00 0.00 C ATOM 0 HA PRO A 113 13.295 -11.382 -3.243 1.00 0.00 H new ATOM 0 HB2 PRO A 113 14.797 -11.540 -5.564 1.00 0.00 H new ATOM 0 HB3 PRO A 113 13.456 -12.611 -5.208 1.00 0.00 H new ATOM 0 HG2 PRO A 113 13.591 -10.397 -7.162 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.448 -11.723 -7.083 1.00 0.00 H new ATOM 0 HD2 PRO A 113 11.984 -9.008 -6.284 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.882 -10.358 -6.100 1.00 0.00 H new ATOM 1785 N ALA A 114 14.205 -8.477 -3.937 1.00 0.00 N ATOM 1786 CA ALA A 114 15.161 -7.428 -3.627 1.00 0.00 C ATOM 1787 C ALA A 114 14.706 -6.684 -2.370 1.00 0.00 C ATOM 1788 O ALA A 114 13.546 -6.784 -1.971 1.00 0.00 O ATOM 1789 CB ALA A 114 15.308 -6.498 -4.833 1.00 0.00 C ATOM 0 H ALA A 114 13.312 -8.146 -4.303 1.00 0.00 H new ATOM 0 HA ALA A 114 16.143 -7.853 -3.421 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.025 -5.711 -4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.661 -7.069 -5.692 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.342 -6.051 -5.067 1.00 0.00 H new ATOM 1795 N LYS A 115 15.642 -5.954 -1.781 1.00 0.00 N ATOM 1796 CA LYS A 115 15.352 -5.194 -0.577 1.00 0.00 C ATOM 1797 C LYS A 115 15.373 -3.700 -0.906 1.00 0.00 C ATOM 1798 O LYS A 115 15.226 -2.863 -0.017 1.00 0.00 O ATOM 1799 CB LYS A 115 16.307 -5.589 0.550 1.00 0.00 C ATOM 1800 CG LYS A 115 15.564 -6.325 1.666 1.00 0.00 C ATOM 1801 CD LYS A 115 16.334 -6.242 2.986 1.00 0.00 C ATOM 1802 CE LYS A 115 17.436 -7.302 3.045 1.00 0.00 C ATOM 1803 NZ LYS A 115 18.650 -6.751 3.688 1.00 0.00 N ATOM 0 H LYS A 115 16.602 -5.873 -2.115 1.00 0.00 H new ATOM 0 HA LYS A 115 14.352 -5.427 -0.211 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.099 -6.225 0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 115 16.787 -4.698 0.954 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.571 -5.894 1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.425 -7.370 1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 115 16.772 -5.250 3.094 1.00 0.00 H new ATOM 0 HD3 LYS A 115 15.647 -6.379 3.821 1.00 0.00 H new ATOM 0 HE2 LYS A 115 17.084 -8.170 3.602 1.00 0.00 H new ATOM 0 HE3 LYS A 115 17.674 -7.644 2.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 19.388 -7.483 3.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 18.994 -5.936 3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 18.422 -6.446 4.656 1.00 0.00 H new ATOM 1817 N THR A 116 15.557 -3.410 -2.186 1.00 0.00 N ATOM 1818 CA THR A 116 15.599 -2.032 -2.643 1.00 0.00 C ATOM 1819 C THR A 116 14.323 -1.686 -3.413 1.00 0.00 C ATOM 1820 O THR A 116 13.580 -2.577 -3.822 1.00 0.00 O ATOM 1821 CB THR A 116 16.875 -1.845 -3.465 1.00 0.00 C ATOM 1822 OG1 THR A 116 17.927 -2.092 -2.536 1.00 0.00 O ATOM 1823 CG2 THR A 116 17.089 -0.392 -3.893 1.00 0.00 C ATOM 0 H THR A 116 15.679 -4.107 -2.921 1.00 0.00 H new ATOM 0 HA THR A 116 15.632 -1.338 -1.803 1.00 0.00 H new ATOM 0 HB THR A 116 16.832 -2.481 -4.349 1.00 0.00 H new ATOM 0 HG1 THR A 116 18.791 -1.994 -2.987 1.00 0.00 H new ATOM 0 HG21 THR A 116 18.008 -0.315 -4.473 1.00 0.00 H new ATOM 0 HG22 THR A 116 16.247 -0.064 -4.502 1.00 0.00 H new ATOM 0 HG23 THR A 116 17.165 0.240 -3.008 1.00 0.00 H new ATOM 1831 N MET A 117 14.109 -0.390 -3.589 1.00 0.00 N ATOM 1832 CA MET A 117 12.936 0.084 -4.303 1.00 0.00 C ATOM 1833 C MET A 117 12.954 -0.385 -5.759 1.00 0.00 C ATOM 1834 O MET A 117 13.989 -0.818 -6.263 1.00 0.00 O ATOM 1835 CB MET A 117 12.895 1.613 -4.260 1.00 0.00 C ATOM 1836 CG MET A 117 12.189 2.107 -2.996 1.00 0.00 C ATOM 1837 SD MET A 117 10.488 1.565 -2.996 1.00 0.00 S ATOM 1838 CE MET A 117 10.457 0.642 -1.468 1.00 0.00 C ATOM 0 H MET A 117 14.728 0.346 -3.249 1.00 0.00 H new ATOM 0 HA MET A 117 12.049 -0.326 -3.819 1.00 0.00 H new ATOM 0 HB2 MET A 117 13.910 2.009 -4.292 1.00 0.00 H new ATOM 0 HB3 MET A 117 12.377 1.991 -5.141 1.00 0.00 H new ATOM 0 HG2 MET A 117 12.700 1.727 -2.112 1.00 0.00 H new ATOM 0 HG3 MET A 117 12.233 3.195 -2.947 1.00 0.00 H new ATOM 0 HE1 MET A 117 9.481 0.172 -1.347 1.00 0.00 H new ATOM 0 HE2 MET A 117 11.230 -0.126 -1.491 1.00 0.00 H new ATOM 0 HE3 MET A 117 10.641 1.316 -0.632 1.00 0.00 H new ATOM 1848 N SER A 118 11.796 -0.283 -6.395 1.00 0.00 N ATOM 1849 CA SER A 118 11.665 -0.692 -7.783 1.00 0.00 C ATOM 1850 C SER A 118 10.219 -0.510 -8.248 1.00 0.00 C ATOM 1851 O SER A 118 9.283 -0.769 -7.494 1.00 0.00 O ATOM 1852 CB SER A 118 12.105 -2.145 -7.973 1.00 0.00 C ATOM 1853 OG SER A 118 11.871 -2.604 -9.302 1.00 0.00 O ATOM 0 H SER A 118 10.940 0.077 -5.974 1.00 0.00 H new ATOM 0 HA SER A 118 12.316 -0.062 -8.388 1.00 0.00 H new ATOM 0 HB2 SER A 118 13.166 -2.236 -7.739 1.00 0.00 H new ATOM 0 HB3 SER A 118 11.568 -2.781 -7.270 1.00 0.00 H new ATOM 0 HG SER A 118 12.167 -3.535 -9.383 1.00 0.00 H new ATOM 1859 N MET A 119 10.082 -0.065 -9.489 1.00 0.00 N ATOM 1860 CA MET A 119 8.766 0.155 -10.064 1.00 0.00 C ATOM 1861 C MET A 119 7.899 -1.100 -9.945 1.00 0.00 C ATOM 1862 O MET A 119 6.677 -1.028 -10.062 1.00 0.00 O ATOM 1863 CB MET A 119 8.910 0.539 -11.538 1.00 0.00 C ATOM 1864 CG MET A 119 7.664 1.273 -12.037 1.00 0.00 C ATOM 1865 SD MET A 119 8.015 3.014 -12.222 1.00 0.00 S ATOM 1866 CE MET A 119 7.964 3.523 -10.512 1.00 0.00 C ATOM 0 H MET A 119 10.861 0.149 -10.112 1.00 0.00 H new ATOM 0 HA MET A 119 8.281 0.962 -9.515 1.00 0.00 H new ATOM 0 HB2 MET A 119 9.787 1.173 -11.668 1.00 0.00 H new ATOM 0 HB3 MET A 119 9.073 -0.357 -12.137 1.00 0.00 H new ATOM 0 HG2 MET A 119 7.343 0.855 -12.991 1.00 0.00 H new ATOM 0 HG3 MET A 119 6.843 1.132 -11.334 1.00 0.00 H new ATOM 0 HE1 MET A 119 8.146 4.596 -10.446 1.00 0.00 H new ATOM 0 HE2 MET A 119 6.984 3.295 -10.094 1.00 0.00 H new ATOM 0 HE3 MET A 119 8.731 2.990 -9.951 1.00 0.00 H new ATOM 1876 N SER A 120 8.566 -2.222 -9.715 1.00 0.00 N ATOM 1877 CA SER A 120 7.872 -3.491 -9.579 1.00 0.00 C ATOM 1878 C SER A 120 7.501 -3.731 -8.114 1.00 0.00 C ATOM 1879 O SER A 120 7.499 -4.869 -7.649 1.00 0.00 O ATOM 1880 CB SER A 120 8.727 -4.645 -10.106 1.00 0.00 C ATOM 1881 OG SER A 120 8.454 -4.931 -11.475 1.00 0.00 O ATOM 0 H SER A 120 9.580 -2.278 -9.619 1.00 0.00 H new ATOM 0 HA SER A 120 6.960 -3.448 -10.175 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.782 -4.396 -9.991 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.543 -5.536 -9.506 1.00 0.00 H new ATOM 0 HG SER A 120 9.021 -5.672 -11.774 1.00 0.00 H new ATOM 1887 N VAL A 121 7.196 -2.639 -7.428 1.00 0.00 N ATOM 1888 CA VAL A 121 6.825 -2.716 -6.025 1.00 0.00 C ATOM 1889 C VAL A 121 5.492 -1.995 -5.815 1.00 0.00 C ATOM 1890 O VAL A 121 5.177 -1.044 -6.528 1.00 0.00 O ATOM 1891 CB VAL A 121 7.951 -2.156 -5.154 1.00 0.00 C ATOM 1892 CG1 VAL A 121 7.483 -1.965 -3.710 1.00 0.00 C ATOM 1893 CG2 VAL A 121 9.189 -3.053 -5.215 1.00 0.00 C ATOM 0 H VAL A 121 7.198 -1.696 -7.818 1.00 0.00 H new ATOM 0 HA VAL A 121 6.685 -3.754 -5.723 1.00 0.00 H new ATOM 0 HB VAL A 121 8.226 -1.178 -5.549 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.302 -1.566 -3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.645 -1.268 -3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.168 -2.924 -3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.974 -2.632 -4.587 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.934 -4.050 -4.857 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.542 -3.116 -6.244 1.00 0.00 H new ATOM 1903 N ASP A 122 4.744 -2.477 -4.833 1.00 0.00 N ATOM 1904 CA ASP A 122 3.452 -1.890 -4.520 1.00 0.00 C ATOM 1905 C ASP A 122 3.153 -2.090 -3.033 1.00 0.00 C ATOM 1906 O ASP A 122 1.991 -2.130 -2.629 1.00 0.00 O ATOM 1907 CB ASP A 122 2.334 -2.561 -5.321 1.00 0.00 C ATOM 1908 CG ASP A 122 1.960 -1.854 -6.626 1.00 0.00 C ATOM 1909 OD1 ASP A 122 2.735 -0.960 -7.029 1.00 0.00 O ATOM 1910 OD2 ASP A 122 0.908 -2.224 -7.190 1.00 0.00 O ATOM 0 H ASP A 122 5.008 -3.267 -4.244 1.00 0.00 H new ATOM 0 HA ASP A 122 3.492 -0.831 -4.774 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.636 -3.583 -5.552 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.446 -2.626 -4.693 1.00 0.00 H new ATOM 1915 N ALA A 123 4.221 -2.210 -2.258 1.00 0.00 N ATOM 1916 CA ALA A 123 4.087 -2.405 -0.824 1.00 0.00 C ATOM 1917 C ALA A 123 5.476 -2.572 -0.205 1.00 0.00 C ATOM 1918 O ALA A 123 6.341 -3.230 -0.781 1.00 0.00 O ATOM 1919 CB ALA A 123 3.180 -3.607 -0.555 1.00 0.00 C ATOM 0 H ALA A 123 5.183 -2.176 -2.596 1.00 0.00 H new ATOM 0 HA ALA A 123 3.622 -1.536 -0.360 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.079 -3.753 0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.197 -3.426 -0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.616 -4.500 -1.003 1.00 0.00 H new ATOM 1925 N PHE A 124 5.647 -1.966 0.960 1.00 0.00 N ATOM 1926 CA PHE A 124 6.916 -2.039 1.664 1.00 0.00 C ATOM 1927 C PHE A 124 6.714 -1.902 3.174 1.00 0.00 C ATOM 1928 O PHE A 124 5.742 -1.296 3.622 1.00 0.00 O ATOM 1929 CB PHE A 124 7.771 -0.872 1.167 1.00 0.00 C ATOM 1930 CG PHE A 124 7.313 0.496 1.677 1.00 0.00 C ATOM 1931 CD1 PHE A 124 6.074 0.959 1.362 1.00 0.00 C ATOM 1932 CD2 PHE A 124 8.145 1.249 2.445 1.00 0.00 C ATOM 1933 CE1 PHE A 124 5.648 2.228 1.835 1.00 0.00 C ATOM 1934 CE2 PHE A 124 7.720 2.519 2.918 1.00 0.00 C ATOM 1935 CZ PHE A 124 6.481 2.981 2.603 1.00 0.00 C ATOM 0 H PHE A 124 4.927 -1.421 1.435 1.00 0.00 H new ATOM 0 HA PHE A 124 7.392 -3.001 1.475 1.00 0.00 H new ATOM 0 HB2 PHE A 124 8.804 -1.035 1.474 1.00 0.00 H new ATOM 0 HB3 PHE A 124 7.759 -0.865 0.077 1.00 0.00 H new ATOM 0 HD1 PHE A 124 5.414 0.361 0.752 1.00 0.00 H new ATOM 0 HD2 PHE A 124 9.129 0.881 2.695 1.00 0.00 H new ATOM 0 HE1 PHE A 124 4.664 2.595 1.585 1.00 0.00 H new ATOM 0 HE2 PHE A 124 8.381 3.117 3.528 1.00 0.00 H new ATOM 0 HZ PHE A 124 6.158 3.947 2.963 1.00 0.00 H new ATOM 1945 N THR A 125 7.649 -2.475 3.918 1.00 0.00 N ATOM 1946 CA THR A 125 7.586 -2.424 5.369 1.00 0.00 C ATOM 1947 C THR A 125 8.931 -1.976 5.945 1.00 0.00 C ATOM 1948 O THR A 125 9.936 -2.670 5.799 1.00 0.00 O ATOM 1949 CB THR A 125 7.137 -3.797 5.871 1.00 0.00 C ATOM 1950 OG1 THR A 125 7.899 -4.717 5.095 1.00 0.00 O ATOM 1951 CG2 THR A 125 5.686 -4.110 5.502 1.00 0.00 C ATOM 0 H THR A 125 8.454 -2.977 3.543 1.00 0.00 H new ATOM 0 HA THR A 125 6.860 -1.685 5.708 1.00 0.00 H new ATOM 0 HB THR A 125 7.254 -3.843 6.954 1.00 0.00 H new ATOM 0 HG1 THR A 125 7.671 -5.633 5.357 1.00 0.00 H new ATOM 0 HG21 THR A 125 5.418 -5.096 5.882 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.029 -3.361 5.943 1.00 0.00 H new ATOM 0 HG23 THR A 125 5.575 -4.097 4.418 1.00 0.00 H new ATOM 1959 N ILE A 126 8.906 -0.818 6.589 1.00 0.00 N ATOM 1960 CA ILE A 126 10.111 -0.270 7.189 1.00 0.00 C ATOM 1961 C ILE A 126 10.548 -1.161 8.352 1.00 0.00 C ATOM 1962 O ILE A 126 9.798 -2.035 8.786 1.00 0.00 O ATOM 1963 CB ILE A 126 9.895 1.193 7.582 1.00 0.00 C ATOM 1964 CG1 ILE A 126 8.826 1.316 8.670 1.00 0.00 C ATOM 1965 CG2 ILE A 126 9.567 2.048 6.356 1.00 0.00 C ATOM 1966 CD1 ILE A 126 8.713 2.759 9.167 1.00 0.00 C ATOM 0 H ILE A 126 8.071 -0.245 6.708 1.00 0.00 H new ATOM 0 HA ILE A 126 10.928 -0.266 6.467 1.00 0.00 H new ATOM 0 HB ILE A 126 10.826 1.575 8.001 1.00 0.00 H new ATOM 0 HG12 ILE A 126 7.864 0.986 8.278 1.00 0.00 H new ATOM 0 HG13 ILE A 126 9.073 0.659 9.504 1.00 0.00 H new ATOM 0 HG21 ILE A 126 9.418 3.083 6.664 1.00 0.00 H new ATOM 0 HG22 ILE A 126 10.391 1.996 5.645 1.00 0.00 H new ATOM 0 HG23 ILE A 126 8.657 1.675 5.885 1.00 0.00 H new ATOM 0 HD11 ILE A 126 7.946 2.819 9.940 1.00 0.00 H new ATOM 0 HD12 ILE A 126 9.670 3.078 9.580 1.00 0.00 H new ATOM 0 HD13 ILE A 126 8.442 3.410 8.336 1.00 0.00 H new ATOM 1978 N GLN A 127 11.760 -0.911 8.825 1.00 0.00 N ATOM 1979 CA GLN A 127 12.306 -1.680 9.930 1.00 0.00 C ATOM 1980 C GLN A 127 11.406 -1.553 11.161 1.00 0.00 C ATOM 1981 O GLN A 127 10.394 -0.856 11.125 1.00 0.00 O ATOM 1982 CB GLN A 127 13.737 -1.242 10.250 1.00 0.00 C ATOM 1983 CG GLN A 127 14.749 -2.011 9.399 1.00 0.00 C ATOM 1984 CD GLN A 127 15.606 -2.934 10.268 1.00 0.00 C ATOM 1985 OE1 GLN A 127 16.825 -2.872 10.269 1.00 0.00 O ATOM 1986 NE2 GLN A 127 14.904 -3.790 11.005 1.00 0.00 N ATOM 0 H GLN A 127 12.380 -0.186 8.463 1.00 0.00 H new ATOM 0 HA GLN A 127 12.340 -2.729 9.635 1.00 0.00 H new ATOM 0 HB2 GLN A 127 13.843 -0.172 10.069 1.00 0.00 H new ATOM 0 HB3 GLN A 127 13.944 -1.409 11.307 1.00 0.00 H new ATOM 0 HG2 GLN A 127 14.224 -2.598 8.646 1.00 0.00 H new ATOM 0 HG3 GLN A 127 15.390 -1.309 8.866 1.00 0.00 H new ATOM 0 HE21 GLN A 127 13.885 -3.789 10.956 1.00 0.00 H new ATOM 0 HE22 GLN A 127 15.384 -4.448 11.619 1.00 0.00 H new ATOM 1995 N GLY A 128 11.808 -2.238 12.222 1.00 0.00 N ATOM 1996 CA GLY A 128 11.051 -2.211 13.461 1.00 0.00 C ATOM 1997 C GLY A 128 11.605 -1.154 14.420 1.00 0.00 C ATOM 1998 O GLY A 128 10.843 -0.458 15.089 1.00 0.00 O ATOM 0 H GLY A 128 12.649 -2.815 12.248 1.00 0.00 H new ATOM 0 HA2 GLY A 128 10.003 -1.999 13.247 1.00 0.00 H new ATOM 0 HA3 GLY A 128 11.087 -3.192 13.935 1.00 0.00 H new ATOM 2002 N HIS A 129 12.927 -1.069 14.455 1.00 0.00 N ATOM 2003 CA HIS A 129 13.591 -0.109 15.319 1.00 0.00 C ATOM 2004 C HIS A 129 13.037 1.292 15.053 1.00 0.00 C ATOM 2005 O HIS A 129 13.166 2.184 15.890 1.00 0.00 O ATOM 2006 CB HIS A 129 15.110 -0.187 15.152 1.00 0.00 C ATOM 2007 CG HIS A 129 15.591 0.132 13.757 1.00 0.00 C ATOM 2008 ND1 HIS A 129 15.908 1.324 13.174 1.00 0.00 N flip ATOM 2009 CD2 HIS A 129 15.792 -0.840 12.792 1.00 0.00 C flip ATOM 2010 CE1 HIS A 129 16.284 1.093 11.922 1.00 0.00 C flip ATOM 2011 NE2 HIS A 129 16.212 -0.248 11.683 1.00 0.00 N flip ATOM 0 H HIS A 129 13.555 -1.649 13.899 1.00 0.00 H new ATOM 0 HA HIS A 129 13.385 -0.351 16.362 1.00 0.00 H new ATOM 0 HB2 HIS A 129 15.578 0.503 15.854 1.00 0.00 H new ATOM 0 HB3 HIS A 129 15.444 -1.189 15.420 1.00 0.00 H new ATOM 0 HD1 HIS A 129 15.864 2.238 13.624 1.00 0.00 H new ATOM 0 HD2 HIS A 129 15.634 -1.901 12.921 1.00 0.00 H new ATOM 0 HE1 HIS A 129 16.596 1.843 11.210 1.00 0.00 H new ATOM 2019 N LEU A 130 12.432 1.442 13.884 1.00 0.00 N ATOM 2020 CA LEU A 130 11.858 2.719 13.497 1.00 0.00 C ATOM 2021 C LEU A 130 10.724 3.076 14.460 1.00 0.00 C ATOM 2022 O LEU A 130 10.807 4.069 15.181 1.00 0.00 O ATOM 2023 CB LEU A 130 11.432 2.692 12.028 1.00 0.00 C ATOM 2024 CG LEU A 130 12.484 3.148 11.015 1.00 0.00 C ATOM 2025 CD1 LEU A 130 13.897 2.957 11.569 1.00 0.00 C ATOM 2026 CD2 LEU A 130 12.295 2.441 9.671 1.00 0.00 C ATOM 0 H LEU A 130 12.327 0.700 13.192 1.00 0.00 H new ATOM 0 HA LEU A 130 12.603 3.511 13.574 1.00 0.00 H new ATOM 0 HB2 LEU A 130 11.131 1.675 11.776 1.00 0.00 H new ATOM 0 HB3 LEU A 130 10.550 3.323 11.915 1.00 0.00 H new ATOM 0 HG LEU A 130 12.348 4.215 10.839 1.00 0.00 H new ATOM 0 HD11 LEU A 130 14.626 3.289 10.829 1.00 0.00 H new ATOM 0 HD12 LEU A 130 14.013 3.543 12.481 1.00 0.00 H new ATOM 0 HD13 LEU A 130 14.061 1.903 11.792 1.00 0.00 H new ATOM 0 HD21 LEU A 130 13.056 2.784 8.970 1.00 0.00 H new ATOM 0 HD22 LEU A 130 12.388 1.364 9.810 1.00 0.00 H new ATOM 0 HD23 LEU A 130 11.306 2.671 9.275 1.00 0.00 H new ATOM 2038 N TRP A 131 9.690 2.247 14.440 1.00 0.00 N ATOM 2039 CA TRP A 131 8.541 2.463 15.302 1.00 0.00 C ATOM 2040 C TRP A 131 9.054 2.683 16.727 1.00 0.00 C ATOM 2041 O TRP A 131 8.655 3.636 17.394 1.00 0.00 O ATOM 2042 CB TRP A 131 7.550 1.303 15.195 1.00 0.00 C ATOM 2043 CG TRP A 131 7.080 1.014 13.768 1.00 0.00 C ATOM 2044 CD1 TRP A 131 7.458 0.013 12.962 1.00 0.00 C ATOM 2045 CD2 TRP A 131 6.123 1.781 13.007 1.00 0.00 C ATOM 2046 NE1 TRP A 131 6.818 0.078 11.741 1.00 0.00 N ATOM 2047 CE2 TRP A 131 5.980 1.187 11.769 1.00 0.00 C ATOM 2048 CE3 TRP A 131 5.402 2.937 13.352 1.00 0.00 C ATOM 2049 CZ2 TRP A 131 5.122 1.678 10.778 1.00 0.00 C ATOM 2050 CZ3 TRP A 131 4.550 3.416 12.350 1.00 0.00 C ATOM 2051 CH2 TRP A 131 4.394 2.830 11.099 1.00 0.00 C ATOM 0 H TRP A 131 9.625 1.425 13.840 1.00 0.00 H new ATOM 0 HA TRP A 131 7.986 3.348 14.991 1.00 0.00 H new ATOM 0 HB2 TRP A 131 8.013 0.404 15.603 1.00 0.00 H new ATOM 0 HB3 TRP A 131 6.681 1.523 15.815 1.00 0.00 H new ATOM 0 HD1 TRP A 131 8.174 -0.749 13.234 1.00 0.00 H new ATOM 0 HE1 TRP A 131 6.938 -0.569 10.961 1.00 0.00 H new ATOM 0 HE3 TRP A 131 5.498 3.418 14.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 5.027 1.194 9.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 3.973 4.304 12.564 1.00 0.00 H new ATOM 0 HH2 TRP A 131 3.715 3.261 10.379 1.00 0.00 H new