USER MOD reduce.3.24.130724 H: found=0, std=0, add=895, rem=0, adj=25 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= -0.494 X(o=-4.8,f=-4.6) USER MOD Set 1.2: A 129 HIS : no HD1:sc= -4.26! C(o=-4.8!,f=-7.4!) USER MOD Set 2.1: A 103 ASN : amide:sc= -2.26! C(o=-2.3!,f=-2.7!) USER MOD Set 2.2: A 110 THR OG1 : rot 180:sc= 0 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 USER MOD Set 4.1: A 29 HIS : no HD1:sc= 0 X(o=0,f=0.087) USER MOD Set 4.2: A 102 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 19 ASN : amide:sc= 0.0443 K(o=-5.8,f=-15!) USER MOD Set 5.2: A 55 HIS : no HD1:sc= -4.15! C(o=-5.8!,f=-15!) USER MOD Set 5.3: A 119 MET CE :methyl -164:sc= -1.69 (180deg=-1.65) USER MOD Single : A 18 SER OG : rot -22:sc= 0.16 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= -1.13 X(o=-1.1,f=-1.2) USER MOD Single : A 25 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.1) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 150:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.9!) USER MOD Single : A 40 GLN : amide:sc= -0.323 K(o=-0.32,f=-2.7!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 1.02 K(o=1,f=-0.92) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 100:sc= -0.319 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.158 K(o=-0.16,f=-2.5!) USER MOD Single : A 66 GLN : amide:sc= -0.299 X(o=-0.3,f=0.0061) USER MOD Single : A 71 TYR OH : rot 163:sc= 0.0394 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0548 USER MOD Single : A 74 SER OG : rot -114:sc= 1.02 USER MOD Single : A 77 THR OG1 : rot 148:sc= 0.0637 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= -0.0233 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 95 MET CE :methyl -164:sc= -1.01 (180deg=-2.34!) USER MOD Single : A 101 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.386) USER MOD Single : A 104 SER OG : rot 180:sc= 0 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 169:sc= -5.34! (180deg=-5.53!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 238 N SER A 18 3.249 3.164 -14.435 1.00 0.00 N ATOM 239 CA SER A 18 2.638 3.645 -13.207 1.00 0.00 C ATOM 240 C SER A 18 1.765 2.549 -12.593 1.00 0.00 C ATOM 241 O SER A 18 0.979 1.913 -13.292 1.00 0.00 O ATOM 242 CB SER A 18 1.808 4.905 -13.462 1.00 0.00 C ATOM 243 OG SER A 18 0.928 4.748 -14.572 1.00 0.00 O ATOM 0 HA SER A 18 3.433 3.902 -12.507 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.228 5.144 -12.570 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.475 5.748 -13.644 1.00 0.00 H new ATOM 0 HG SER A 18 1.256 4.028 -15.151 1.00 0.00 H new ATOM 249 N ASN A 19 1.933 2.363 -11.292 1.00 0.00 N ATOM 250 CA ASN A 19 1.169 1.356 -10.575 1.00 0.00 C ATOM 251 C ASN A 19 0.119 2.043 -9.701 1.00 0.00 C ATOM 252 O ASN A 19 -0.424 1.433 -8.781 1.00 0.00 O ATOM 253 CB ASN A 19 2.074 0.525 -9.663 1.00 0.00 C ATOM 254 CG ASN A 19 2.905 1.426 -8.747 1.00 0.00 C ATOM 255 OD1 ASN A 19 3.833 2.097 -9.169 1.00 0.00 O ATOM 256 ND2 ASN A 19 2.522 1.403 -7.474 1.00 0.00 N ATOM 0 H ASN A 19 2.587 2.893 -10.716 1.00 0.00 H new ATOM 0 HA ASN A 19 0.699 0.703 -11.310 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.467 -0.151 -9.061 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.736 -0.094 -10.268 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.014 1.970 -6.783 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.736 0.819 -7.188 1.00 0.00 H new ATOM 263 N LYS A 20 -0.135 3.304 -10.018 1.00 0.00 N ATOM 264 CA LYS A 20 -1.110 4.082 -9.273 1.00 0.00 C ATOM 265 C LYS A 20 -2.469 3.381 -9.335 1.00 0.00 C ATOM 266 O LYS A 20 -3.133 3.215 -8.313 1.00 0.00 O ATOM 267 CB LYS A 20 -1.140 5.527 -9.774 1.00 0.00 C ATOM 268 CG LYS A 20 -2.287 6.307 -9.129 1.00 0.00 C ATOM 269 CD LYS A 20 -2.743 7.456 -10.031 1.00 0.00 C ATOM 270 CE LYS A 20 -2.212 8.798 -9.521 1.00 0.00 C ATOM 271 NZ LYS A 20 -2.748 9.911 -10.336 1.00 0.00 N ATOM 0 H LYS A 20 0.318 3.807 -10.781 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.828 4.140 -8.222 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.192 6.014 -9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.253 5.538 -10.858 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.125 5.637 -8.936 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.966 6.702 -8.165 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.392 7.285 -11.049 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.832 7.483 -10.069 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.495 8.935 -8.477 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.123 8.803 -9.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.378 10.814 -9.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.457 9.787 -11.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.786 9.915 -10.278 1.00 0.00 H new ATOM 285 N PHE A 21 -2.843 2.990 -10.544 1.00 0.00 N ATOM 286 CA PHE A 21 -4.110 2.311 -10.753 1.00 0.00 C ATOM 287 C PHE A 21 -4.159 0.991 -9.982 1.00 0.00 C ATOM 288 O PHE A 21 -5.237 0.497 -9.656 1.00 0.00 O ATOM 289 CB PHE A 21 -4.220 2.018 -12.251 1.00 0.00 C ATOM 290 CG PHE A 21 -4.291 3.271 -13.126 1.00 0.00 C ATOM 291 CD1 PHE A 21 -5.433 4.008 -13.167 1.00 0.00 C ATOM 292 CD2 PHE A 21 -3.212 3.647 -13.864 1.00 0.00 C ATOM 293 CE1 PHE A 21 -5.499 5.171 -13.980 1.00 0.00 C ATOM 294 CE2 PHE A 21 -3.278 4.810 -14.676 1.00 0.00 C ATOM 295 CZ PHE A 21 -4.420 5.547 -14.717 1.00 0.00 C ATOM 0 H PHE A 21 -2.290 3.131 -11.390 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.929 2.937 -10.400 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.361 1.421 -12.558 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.109 1.413 -12.428 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.290 3.709 -12.581 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.305 3.061 -13.832 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.406 5.756 -14.013 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.421 5.109 -15.261 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.470 6.431 -15.335 1.00 0.00 H new ATOM 305 N ILE A 22 -2.977 0.456 -9.713 1.00 0.00 N ATOM 306 CA ILE A 22 -2.871 -0.798 -8.987 1.00 0.00 C ATOM 307 C ILE A 22 -3.074 -0.536 -7.493 1.00 0.00 C ATOM 308 O ILE A 22 -3.488 -1.427 -6.753 1.00 0.00 O ATOM 309 CB ILE A 22 -1.550 -1.498 -9.315 1.00 0.00 C ATOM 310 CG1 ILE A 22 -1.423 -1.752 -10.818 1.00 0.00 C ATOM 311 CG2 ILE A 22 -1.394 -2.784 -8.501 1.00 0.00 C ATOM 312 CD1 ILE A 22 -0.026 -2.266 -11.171 1.00 0.00 C ATOM 0 H ILE A 22 -2.084 0.868 -9.985 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.656 -1.487 -9.300 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.732 -0.836 -9.030 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.172 -2.479 -11.132 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.624 -0.831 -11.364 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.447 -3.262 -8.753 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.408 -2.545 -7.438 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.215 -3.462 -8.732 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.037 -2.439 -12.245 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.719 -1.526 -10.878 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.162 -3.200 -10.642 1.00 0.00 H new ATOM 324 N ILE A 23 -2.772 0.691 -7.094 1.00 0.00 N ATOM 325 CA ILE A 23 -2.916 1.082 -5.702 1.00 0.00 C ATOM 326 C ILE A 23 -4.377 1.444 -5.427 1.00 0.00 C ATOM 327 O ILE A 23 -4.961 0.982 -4.448 1.00 0.00 O ATOM 328 CB ILE A 23 -1.929 2.198 -5.354 1.00 0.00 C ATOM 329 CG1 ILE A 23 -0.485 1.731 -5.543 1.00 0.00 C ATOM 330 CG2 ILE A 23 -2.180 2.731 -3.942 1.00 0.00 C ATOM 331 CD1 ILE A 23 -0.267 0.353 -4.915 1.00 0.00 C ATOM 0 H ILE A 23 -2.428 1.427 -7.710 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.665 0.250 -5.044 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.092 3.026 -6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.248 1.691 -6.606 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.196 2.452 -5.091 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.465 3.523 -3.720 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.193 3.128 -3.878 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.061 1.922 -3.221 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.768 0.045 -5.064 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.481 0.402 -3.847 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.932 -0.371 -5.386 1.00 0.00 H new ATOM 343 N HIS A 24 -4.925 2.268 -6.308 1.00 0.00 N ATOM 344 CA HIS A 24 -6.306 2.698 -6.172 1.00 0.00 C ATOM 345 C HIS A 24 -7.182 1.501 -5.797 1.00 0.00 C ATOM 346 O HIS A 24 -8.122 1.635 -5.016 1.00 0.00 O ATOM 347 CB HIS A 24 -6.782 3.406 -7.442 1.00 0.00 C ATOM 348 CG HIS A 24 -7.104 4.868 -7.246 1.00 0.00 C ATOM 349 ND1 HIS A 24 -8.400 5.347 -7.169 1.00 0.00 N ATOM 350 CD2 HIS A 24 -6.285 5.951 -7.112 1.00 0.00 C ATOM 351 CE1 HIS A 24 -8.352 6.659 -6.997 1.00 0.00 C ATOM 352 NE2 HIS A 24 -7.040 7.032 -6.962 1.00 0.00 N ATOM 0 H HIS A 24 -4.437 2.649 -7.119 1.00 0.00 H new ATOM 0 HA HIS A 24 -6.385 3.428 -5.367 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.012 3.314 -8.208 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.669 2.897 -7.819 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.205 5.932 -7.126 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.202 7.318 -6.901 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -6.696 7.985 -6.841 1.00 0.00 H new ATOM 360 N ASN A 25 -6.841 0.357 -6.372 1.00 0.00 N ATOM 361 CA ASN A 25 -7.585 -0.864 -6.108 1.00 0.00 C ATOM 362 C ASN A 25 -7.120 -1.461 -4.778 1.00 0.00 C ATOM 363 O ASN A 25 -7.931 -1.970 -4.005 1.00 0.00 O ATOM 364 CB ASN A 25 -7.343 -1.904 -7.204 1.00 0.00 C ATOM 365 CG ASN A 25 -8.402 -1.799 -8.303 1.00 0.00 C ATOM 366 OD1 ASN A 25 -9.570 -1.550 -8.053 1.00 0.00 O ATOM 367 ND2 ASN A 25 -7.931 -2.002 -9.529 1.00 0.00 N ATOM 0 H ASN A 25 -6.060 0.249 -7.019 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.645 -0.613 -6.077 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.352 -1.760 -7.634 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.361 -2.904 -6.771 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.559 -1.953 -10.331 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.941 -2.206 -9.668 1.00 0.00 H new ATOM 374 N ALA A 26 -5.817 -1.380 -4.552 1.00 0.00 N ATOM 375 CA ALA A 26 -5.235 -1.906 -3.329 1.00 0.00 C ATOM 376 C ALA A 26 -5.951 -1.293 -2.124 1.00 0.00 C ATOM 377 O ALA A 26 -6.066 -1.928 -1.077 1.00 0.00 O ATOM 378 CB ALA A 26 -3.731 -1.627 -3.319 1.00 0.00 C ATOM 0 H ALA A 26 -5.148 -0.958 -5.195 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.366 -2.987 -3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.294 -2.021 -2.402 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.266 -2.109 -4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.560 -0.552 -3.369 1.00 0.00 H new ATOM 384 N LEU A 27 -6.412 -0.065 -2.312 1.00 0.00 N ATOM 385 CA LEU A 27 -7.113 0.641 -1.253 1.00 0.00 C ATOM 386 C LEU A 27 -8.516 0.052 -1.095 1.00 0.00 C ATOM 387 O LEU A 27 -8.925 -0.298 0.011 1.00 0.00 O ATOM 388 CB LEU A 27 -7.106 2.148 -1.518 1.00 0.00 C ATOM 389 CG LEU A 27 -5.741 2.768 -1.828 1.00 0.00 C ATOM 390 CD1 LEU A 27 -5.820 4.296 -1.826 1.00 0.00 C ATOM 391 CD2 LEU A 27 -4.672 2.248 -0.866 1.00 0.00 C ATOM 0 H LEU A 27 -6.314 0.459 -3.182 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.600 0.505 -0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.774 2.353 -2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.522 2.652 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.447 2.462 -2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.837 4.711 -2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.533 4.624 -2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.146 4.642 -0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.712 2.704 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.948 2.504 0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.593 1.165 -0.960 1.00 0.00 H new ATOM 403 N SER A 28 -9.215 -0.040 -2.217 1.00 0.00 N ATOM 404 CA SER A 28 -10.563 -0.581 -2.216 1.00 0.00 C ATOM 405 C SER A 28 -10.516 -2.105 -2.088 1.00 0.00 C ATOM 406 O SER A 28 -11.555 -2.762 -2.054 1.00 0.00 O ATOM 407 CB SER A 28 -11.319 -0.179 -3.485 1.00 0.00 C ATOM 408 OG SER A 28 -11.995 1.066 -3.331 1.00 0.00 O ATOM 0 H SER A 28 -8.873 0.251 -3.133 1.00 0.00 H new ATOM 0 HA SER A 28 -11.096 -0.167 -1.360 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.619 -0.111 -4.318 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.041 -0.955 -3.738 1.00 0.00 H new ATOM 0 HG SER A 28 -12.464 1.289 -4.162 1.00 0.00 H new ATOM 414 N HIS A 29 -9.298 -2.623 -2.020 1.00 0.00 N ATOM 415 CA HIS A 29 -9.101 -4.058 -1.896 1.00 0.00 C ATOM 416 C HIS A 29 -9.234 -4.469 -0.428 1.00 0.00 C ATOM 417 O HIS A 29 -9.941 -5.423 -0.108 1.00 0.00 O ATOM 418 CB HIS A 29 -7.765 -4.478 -2.511 1.00 0.00 C ATOM 419 CG HIS A 29 -7.900 -5.287 -3.779 1.00 0.00 C ATOM 420 ND1 HIS A 29 -7.291 -6.518 -3.950 1.00 0.00 N ATOM 421 CD2 HIS A 29 -8.580 -5.029 -4.932 1.00 0.00 C ATOM 422 CE1 HIS A 29 -7.597 -6.971 -5.157 1.00 0.00 C ATOM 423 NE2 HIS A 29 -8.396 -6.047 -5.765 1.00 0.00 N ATOM 0 H HIS A 29 -8.438 -2.075 -2.048 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.874 -4.585 -2.456 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -7.177 -3.585 -2.723 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.206 -5.060 -1.778 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -9.169 -4.146 -5.134 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -7.271 -7.908 -5.585 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -8.787 -6.125 -6.704 1.00 0.00 H new ATOM 431 N CYS A 30 -8.542 -3.728 0.426 1.00 0.00 N ATOM 432 CA CYS A 30 -8.574 -4.004 1.852 1.00 0.00 C ATOM 433 C CYS A 30 -7.727 -2.947 2.564 1.00 0.00 C ATOM 434 O CYS A 30 -8.096 -2.470 3.636 1.00 0.00 O ATOM 435 CB CYS A 30 -8.096 -5.423 2.164 1.00 0.00 C ATOM 436 SG CYS A 30 -9.152 -6.167 3.461 1.00 0.00 S ATOM 0 H CYS A 30 -7.956 -2.937 0.157 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.601 -3.950 2.213 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.129 -6.034 1.262 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.058 -5.401 2.496 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.740 -7.373 3.717 1.00 0.00 H new ATOM 442 N CYS A 31 -6.608 -2.612 1.939 1.00 0.00 N ATOM 443 CA CYS A 31 -5.706 -1.620 2.500 1.00 0.00 C ATOM 444 C CYS A 31 -6.546 -0.480 3.080 1.00 0.00 C ATOM 445 O CYS A 31 -6.198 0.087 4.115 1.00 0.00 O ATOM 446 CB CYS A 31 -4.702 -1.117 1.461 1.00 0.00 C ATOM 447 SG CYS A 31 -3.560 -2.468 0.989 1.00 0.00 S ATOM 0 H CYS A 31 -6.305 -3.010 1.050 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.112 -2.073 3.294 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.230 -0.752 0.580 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.137 -0.277 1.866 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.173 -2.299 -0.240 1.00 0.00 H new ATOM 453 N LEU A 32 -7.635 -0.179 2.389 1.00 0.00 N ATOM 454 CA LEU A 32 -8.527 0.883 2.822 1.00 0.00 C ATOM 455 C LEU A 32 -9.952 0.564 2.366 1.00 0.00 C ATOM 456 O LEU A 32 -10.684 1.454 1.936 1.00 0.00 O ATOM 457 CB LEU A 32 -8.017 2.242 2.340 1.00 0.00 C ATOM 458 CG LEU A 32 -6.684 2.706 2.931 1.00 0.00 C ATOM 459 CD1 LEU A 32 -6.101 3.867 2.123 1.00 0.00 C ATOM 460 CD2 LEU A 32 -6.833 3.057 4.412 1.00 0.00 C ATOM 0 H LEU A 32 -7.920 -0.652 1.532 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.546 0.944 3.910 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.918 2.207 1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.774 2.993 2.567 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.976 1.880 2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.154 4.178 2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.935 3.547 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.799 4.705 2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.871 3.384 4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.563 3.859 4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.172 2.179 4.962 1.00 0.00 H new ATOM 472 N ALA A 33 -10.304 -0.709 2.475 1.00 0.00 N ATOM 473 CA ALA A 33 -11.628 -1.156 2.079 1.00 0.00 C ATOM 474 C ALA A 33 -12.507 -1.299 3.323 1.00 0.00 C ATOM 475 O ALA A 33 -12.113 -1.943 4.295 1.00 0.00 O ATOM 476 CB ALA A 33 -11.512 -2.465 1.294 1.00 0.00 C ATOM 0 H ALA A 33 -9.695 -1.445 2.832 1.00 0.00 H new ATOM 0 HA ALA A 33 -12.100 -0.423 1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.506 -2.800 0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -10.903 -2.303 0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.045 -3.225 1.921 1.00 0.00 H new ATOM 482 N GLY A 34 -13.681 -0.689 3.253 1.00 0.00 N ATOM 483 CA GLY A 34 -14.618 -0.740 4.362 1.00 0.00 C ATOM 484 C GLY A 34 -15.315 0.609 4.553 1.00 0.00 C ATOM 485 O GLY A 34 -15.076 1.548 3.796 1.00 0.00 O ATOM 0 H GLY A 34 -14.005 -0.157 2.445 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.362 -1.515 4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.091 -1.014 5.276 1.00 0.00 H new ATOM 489 N LYS A 35 -16.163 0.661 5.570 1.00 0.00 N ATOM 490 CA LYS A 35 -16.897 1.879 5.870 1.00 0.00 C ATOM 491 C LYS A 35 -16.092 2.722 6.862 1.00 0.00 C ATOM 492 O LYS A 35 -16.050 3.946 6.750 1.00 0.00 O ATOM 493 CB LYS A 35 -18.311 1.548 6.350 1.00 0.00 C ATOM 494 CG LYS A 35 -19.240 2.754 6.193 1.00 0.00 C ATOM 495 CD LYS A 35 -20.386 2.442 5.229 1.00 0.00 C ATOM 496 CE LYS A 35 -21.742 2.634 5.909 1.00 0.00 C ATOM 497 NZ LYS A 35 -22.747 1.714 5.331 1.00 0.00 N ATOM 0 H LYS A 35 -16.358 -0.120 6.196 1.00 0.00 H new ATOM 0 HA LYS A 35 -17.024 2.480 4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.704 0.705 5.781 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.281 1.241 7.395 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -19.644 3.035 7.165 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -18.673 3.609 5.825 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -20.318 3.091 4.356 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -20.296 1.416 4.872 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -21.647 2.452 6.980 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -22.073 3.666 5.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -23.662 1.858 5.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -22.849 1.906 4.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -22.437 0.731 5.468 1.00 0.00 H new ATOM 511 N VAL A 36 -15.474 2.033 7.810 1.00 0.00 N ATOM 512 CA VAL A 36 -14.673 2.703 8.820 1.00 0.00 C ATOM 513 C VAL A 36 -13.614 3.569 8.135 1.00 0.00 C ATOM 514 O VAL A 36 -13.332 4.680 8.580 1.00 0.00 O ATOM 515 CB VAL A 36 -14.074 1.673 9.780 1.00 0.00 C ATOM 516 CG1 VAL A 36 -15.173 0.894 10.505 1.00 0.00 C ATOM 517 CG2 VAL A 36 -13.124 0.726 9.045 1.00 0.00 C ATOM 0 H VAL A 36 -15.512 1.018 7.900 1.00 0.00 H new ATOM 0 HA VAL A 36 -15.294 3.366 9.422 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.495 2.212 10.530 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -14.720 0.169 11.181 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -15.792 1.585 11.077 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -15.791 0.372 9.775 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -12.712 0.004 9.750 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -13.669 0.198 8.263 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -12.312 1.300 8.598 1.00 0.00 H new ATOM 527 N ASN A 37 -13.057 3.026 7.062 1.00 0.00 N ATOM 528 CA ASN A 37 -12.035 3.735 6.310 1.00 0.00 C ATOM 529 C ASN A 37 -12.671 4.380 5.077 1.00 0.00 C ATOM 530 O ASN A 37 -12.037 4.477 4.027 1.00 0.00 O ATOM 531 CB ASN A 37 -10.940 2.780 5.833 1.00 0.00 C ATOM 532 CG ASN A 37 -9.850 2.620 6.894 1.00 0.00 C ATOM 533 OD1 ASN A 37 -9.624 3.486 7.724 1.00 0.00 O ATOM 534 ND2 ASN A 37 -9.189 1.468 6.823 1.00 0.00 N ATOM 0 H ASN A 37 -13.294 2.104 6.696 1.00 0.00 H new ATOM 0 HA ASN A 37 -11.596 4.488 6.965 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -11.375 1.807 5.605 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.501 3.157 4.910 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.443 1.266 7.488 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.429 0.786 6.103 1.00 0.00 H new ATOM 541 N GLU A 38 -13.914 4.804 5.245 1.00 0.00 N ATOM 542 CA GLU A 38 -14.643 5.437 4.158 1.00 0.00 C ATOM 543 C GLU A 38 -14.202 6.894 4.001 1.00 0.00 C ATOM 544 O GLU A 38 -14.032 7.377 2.883 1.00 0.00 O ATOM 545 CB GLU A 38 -16.153 5.343 4.382 1.00 0.00 C ATOM 546 CG GLU A 38 -16.919 6.025 3.247 1.00 0.00 C ATOM 547 CD GLU A 38 -18.245 6.601 3.750 1.00 0.00 C ATOM 548 OE1 GLU A 38 -18.208 7.736 4.273 1.00 0.00 O ATOM 549 OE2 GLU A 38 -19.265 5.895 3.599 1.00 0.00 O ATOM 0 H GLU A 38 -14.436 4.722 6.118 1.00 0.00 H new ATOM 0 HA GLU A 38 -14.412 4.906 3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.450 4.296 4.448 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.413 5.809 5.332 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -16.310 6.822 2.820 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -17.109 5.307 2.449 1.00 0.00 H new ATOM 556 N PRO A 39 -14.024 7.569 5.168 1.00 0.00 N ATOM 557 CA PRO A 39 -13.606 8.961 5.171 1.00 0.00 C ATOM 558 C PRO A 39 -12.119 9.087 4.831 1.00 0.00 C ATOM 559 O PRO A 39 -11.720 9.996 4.104 1.00 0.00 O ATOM 560 CB PRO A 39 -13.942 9.470 6.563 1.00 0.00 C ATOM 561 CG PRO A 39 -14.104 8.233 7.431 1.00 0.00 C ATOM 562 CD PRO A 39 -14.215 7.029 6.510 1.00 0.00 C ATOM 0 HA PRO A 39 -14.114 9.555 4.411 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.150 10.114 6.945 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -14.857 10.062 6.552 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.252 8.123 8.102 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.993 8.319 8.056 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.460 6.279 6.746 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.187 6.545 6.607 1.00 0.00 H new ATOM 570 N GLN A 40 -11.340 8.163 5.373 1.00 0.00 N ATOM 571 CA GLN A 40 -9.907 8.160 5.136 1.00 0.00 C ATOM 572 C GLN A 40 -9.607 7.734 3.698 1.00 0.00 C ATOM 573 O GLN A 40 -8.951 8.462 2.955 1.00 0.00 O ATOM 574 CB GLN A 40 -9.188 7.253 6.138 1.00 0.00 C ATOM 575 CG GLN A 40 -7.862 6.747 5.565 1.00 0.00 C ATOM 576 CD GLN A 40 -6.796 6.647 6.658 1.00 0.00 C ATOM 577 OE1 GLN A 40 -6.950 7.149 7.759 1.00 0.00 O ATOM 578 NE2 GLN A 40 -5.709 5.972 6.293 1.00 0.00 N ATOM 0 H GLN A 40 -11.674 7.411 5.976 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.533 9.174 5.279 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.004 7.800 7.062 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.826 6.406 6.391 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.010 5.770 5.105 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.520 7.421 4.779 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.645 5.577 5.355 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.940 5.849 6.952 1.00 0.00 H new ATOM 587 N LYS A 41 -10.103 6.556 3.348 1.00 0.00 N ATOM 588 CA LYS A 41 -9.897 6.024 2.011 1.00 0.00 C ATOM 589 C LYS A 41 -9.951 7.169 0.998 1.00 0.00 C ATOM 590 O LYS A 41 -9.039 7.331 0.188 1.00 0.00 O ATOM 591 CB LYS A 41 -10.892 4.899 1.723 1.00 0.00 C ATOM 592 CG LYS A 41 -10.834 4.479 0.253 1.00 0.00 C ATOM 593 CD LYS A 41 -12.036 3.607 -0.117 1.00 0.00 C ATOM 594 CE LYS A 41 -13.348 4.287 0.279 1.00 0.00 C ATOM 595 NZ LYS A 41 -14.477 3.728 -0.498 1.00 0.00 N ATOM 0 H LYS A 41 -10.647 5.955 3.967 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.909 5.572 1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.671 4.042 2.359 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.901 5.229 1.971 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.814 5.365 -0.381 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.911 3.931 0.064 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.032 3.412 -1.189 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.957 2.641 0.383 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.529 4.149 1.345 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.275 5.360 0.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.360 4.201 -0.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.310 3.882 -1.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.556 2.708 -0.311 1.00 0.00 H new ATOM 609 N ASN A 42 -11.031 7.934 1.075 1.00 0.00 N ATOM 610 CA ASN A 42 -11.216 9.059 0.174 1.00 0.00 C ATOM 611 C ASN A 42 -10.002 9.986 0.265 1.00 0.00 C ATOM 612 O ASN A 42 -9.425 10.360 -0.754 1.00 0.00 O ATOM 613 CB ASN A 42 -12.458 9.868 0.553 1.00 0.00 C ATOM 614 CG ASN A 42 -13.711 9.292 -0.109 1.00 0.00 C ATOM 615 OD1 ASN A 42 -14.031 9.581 -1.251 1.00 0.00 O ATOM 616 ND2 ASN A 42 -14.401 8.462 0.668 1.00 0.00 N ATOM 0 H ASN A 42 -11.786 7.797 1.747 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.335 8.666 -0.836 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.581 9.866 1.636 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.327 10.906 0.249 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.253 8.025 0.317 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.078 8.263 1.615 1.00 0.00 H new ATOM 623 N ARG A 43 -9.652 10.329 1.496 1.00 0.00 N ATOM 624 CA ARG A 43 -8.517 11.205 1.733 1.00 0.00 C ATOM 625 C ARG A 43 -7.274 10.670 1.019 1.00 0.00 C ATOM 626 O ARG A 43 -6.470 11.444 0.501 1.00 0.00 O ATOM 627 CB ARG A 43 -8.222 11.331 3.229 1.00 0.00 C ATOM 628 CG ARG A 43 -9.274 12.197 3.925 1.00 0.00 C ATOM 629 CD ARG A 43 -8.670 13.524 4.391 1.00 0.00 C ATOM 630 NE ARG A 43 -9.719 14.368 5.005 1.00 0.00 N ATOM 631 CZ ARG A 43 -9.503 15.596 5.497 1.00 0.00 C ATOM 632 NH1 ARG A 43 -8.275 16.130 5.449 1.00 0.00 N ATOM 633 NH2 ARG A 43 -10.514 16.290 6.036 1.00 0.00 N ATOM 0 H ARG A 43 -10.134 10.017 2.339 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.771 12.189 1.339 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.202 10.341 3.684 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.234 11.768 3.373 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.101 12.390 3.242 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.685 11.660 4.780 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.873 13.338 5.111 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.220 14.045 3.546 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.666 13.992 5.057 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.505 15.602 5.038 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.110 17.064 5.823 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.449 15.884 6.072 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.349 17.224 6.410 1.00 0.00 H new ATOM 647 N ILE A 44 -7.157 9.350 1.013 1.00 0.00 N ATOM 648 CA ILE A 44 -6.026 8.703 0.370 1.00 0.00 C ATOM 649 C ILE A 44 -6.184 8.800 -1.149 1.00 0.00 C ATOM 650 O ILE A 44 -5.257 9.206 -1.848 1.00 0.00 O ATOM 651 CB ILE A 44 -5.867 7.270 0.881 1.00 0.00 C ATOM 652 CG1 ILE A 44 -6.141 7.190 2.385 1.00 0.00 C ATOM 653 CG2 ILE A 44 -4.492 6.707 0.518 1.00 0.00 C ATOM 654 CD1 ILE A 44 -5.400 8.299 3.136 1.00 0.00 C ATOM 0 H ILE A 44 -7.826 8.712 1.443 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.098 9.214 0.628 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.611 6.647 0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.212 7.274 2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.828 6.217 2.764 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.406 5.687 0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.374 6.706 -0.566 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.715 7.326 0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.611 8.220 4.202 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.328 8.197 2.970 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.733 9.271 2.771 1.00 0.00 H new ATOM 666 N LEU A 45 -7.365 8.421 -1.614 1.00 0.00 N ATOM 667 CA LEU A 45 -7.656 8.460 -3.037 1.00 0.00 C ATOM 668 C LEU A 45 -7.321 9.849 -3.584 1.00 0.00 C ATOM 669 O LEU A 45 -6.659 9.972 -4.613 1.00 0.00 O ATOM 670 CB LEU A 45 -9.099 8.027 -3.301 1.00 0.00 C ATOM 671 CG LEU A 45 -9.469 6.614 -2.847 1.00 0.00 C ATOM 672 CD1 LEU A 45 -10.987 6.429 -2.812 1.00 0.00 C ATOM 673 CD2 LEU A 45 -8.783 5.560 -3.719 1.00 0.00 C ATOM 0 H LEU A 45 -8.132 8.085 -1.031 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.030 7.746 -3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.766 8.733 -2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.291 8.105 -4.371 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.104 6.476 -1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.223 5.416 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.425 7.145 -2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.397 6.594 -3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.063 4.564 -3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.095 5.686 -4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.702 5.677 -3.649 1.00 0.00 H new ATOM 685 N GLU A 46 -7.794 10.861 -2.870 1.00 0.00 N ATOM 686 CA GLU A 46 -7.553 12.236 -3.271 1.00 0.00 C ATOM 687 C GLU A 46 -6.051 12.530 -3.285 1.00 0.00 C ATOM 688 O GLU A 46 -5.489 12.857 -4.330 1.00 0.00 O ATOM 689 CB GLU A 46 -8.293 13.212 -2.354 1.00 0.00 C ATOM 690 CG GLU A 46 -9.716 12.727 -2.072 1.00 0.00 C ATOM 691 CD GLU A 46 -10.748 13.759 -2.530 1.00 0.00 C ATOM 692 OE1 GLU A 46 -10.544 14.316 -3.630 1.00 0.00 O ATOM 693 OE2 GLU A 46 -11.719 13.968 -1.770 1.00 0.00 O ATOM 0 H GLU A 46 -8.343 10.755 -2.017 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.940 12.372 -4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.749 13.319 -1.416 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.326 14.198 -2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.890 11.781 -2.585 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.835 12.538 -1.005 1.00 0.00 H new ATOM 700 N GLU A 47 -5.444 12.402 -2.115 1.00 0.00 N ATOM 701 CA GLU A 47 -4.019 12.650 -1.980 1.00 0.00 C ATOM 702 C GLU A 47 -3.271 12.132 -3.210 1.00 0.00 C ATOM 703 O GLU A 47 -2.410 12.822 -3.754 1.00 0.00 O ATOM 704 CB GLU A 47 -3.471 12.016 -0.699 1.00 0.00 C ATOM 705 CG GLU A 47 -3.850 12.847 0.529 1.00 0.00 C ATOM 706 CD GLU A 47 -2.941 14.071 0.664 1.00 0.00 C ATOM 707 OE1 GLU A 47 -2.424 14.512 -0.385 1.00 0.00 O ATOM 708 OE2 GLU A 47 -2.785 14.537 1.813 1.00 0.00 O ATOM 0 H GLU A 47 -5.913 12.130 -1.251 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.863 13.726 -1.910 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.863 11.004 -0.593 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.386 11.932 -0.765 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.889 13.168 0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.774 12.232 1.426 1.00 0.00 H new ATOM 715 N ILE A 48 -3.628 10.922 -3.614 1.00 0.00 N ATOM 716 CA ILE A 48 -3.002 10.304 -4.771 1.00 0.00 C ATOM 717 C ILE A 48 -3.333 11.121 -6.021 1.00 0.00 C ATOM 718 O ILE A 48 -2.438 11.495 -6.777 1.00 0.00 O ATOM 719 CB ILE A 48 -3.403 8.831 -4.874 1.00 0.00 C ATOM 720 CG1 ILE A 48 -3.099 8.087 -3.572 1.00 0.00 C ATOM 721 CG2 ILE A 48 -2.742 8.166 -6.083 1.00 0.00 C ATOM 722 CD1 ILE A 48 -4.059 6.912 -3.375 1.00 0.00 C ATOM 0 H ILE A 48 -4.343 10.353 -3.161 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.917 10.308 -4.665 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.481 8.781 -5.029 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.072 7.723 -3.588 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.181 8.773 -2.729 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.044 7.120 -6.133 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.053 8.677 -6.994 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.658 8.227 -5.984 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.821 6.400 -2.442 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.083 7.282 -3.335 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.957 6.215 -4.207 1.00 0.00 H new ATOM 734 N GLU A 49 -4.621 11.373 -6.201 1.00 0.00 N ATOM 735 CA GLU A 49 -5.081 12.138 -7.347 1.00 0.00 C ATOM 736 C GLU A 49 -4.487 13.548 -7.317 1.00 0.00 C ATOM 737 O GLU A 49 -4.339 14.185 -8.359 1.00 0.00 O ATOM 738 CB GLU A 49 -6.610 12.188 -7.396 1.00 0.00 C ATOM 739 CG GLU A 49 -7.199 10.785 -7.555 1.00 0.00 C ATOM 740 CD GLU A 49 -7.949 10.653 -8.882 1.00 0.00 C ATOM 741 OE1 GLU A 49 -8.814 11.519 -9.134 1.00 0.00 O ATOM 742 OE2 GLU A 49 -7.640 9.688 -9.615 1.00 0.00 O ATOM 0 H GLU A 49 -5.361 11.061 -5.572 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.738 11.639 -8.253 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.992 12.645 -6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.931 12.817 -8.226 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.401 10.044 -7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.877 10.575 -6.728 1.00 0.00 H new ATOM 749 N LYS A 50 -4.163 13.993 -6.112 1.00 0.00 N ATOM 750 CA LYS A 50 -3.589 15.316 -5.933 1.00 0.00 C ATOM 751 C LYS A 50 -2.071 15.236 -6.110 1.00 0.00 C ATOM 752 O LYS A 50 -1.448 16.185 -6.584 1.00 0.00 O ATOM 753 CB LYS A 50 -4.021 15.910 -4.590 1.00 0.00 C ATOM 754 CG LYS A 50 -2.833 16.020 -3.632 1.00 0.00 C ATOM 755 CD LYS A 50 -3.289 16.475 -2.245 1.00 0.00 C ATOM 756 CE LYS A 50 -4.117 17.758 -2.333 1.00 0.00 C ATOM 757 NZ LYS A 50 -3.678 18.731 -1.307 1.00 0.00 N ATOM 0 H LYS A 50 -4.287 13.461 -5.250 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.964 16.001 -6.694 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.458 16.896 -4.748 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.796 15.286 -4.144 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.332 15.055 -3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.105 16.727 -4.030 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.880 15.688 -1.776 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.420 16.642 -1.609 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.014 18.196 -3.326 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.173 17.526 -2.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.251 19.596 -1.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.798 18.316 -0.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.676 18.965 -1.457 1.00 0.00 H new ATOM 771 N SER A 51 -1.521 14.096 -5.721 1.00 0.00 N ATOM 772 CA SER A 51 -0.088 13.880 -5.832 1.00 0.00 C ATOM 773 C SER A 51 0.313 13.773 -7.304 1.00 0.00 C ATOM 774 O SER A 51 -0.400 13.169 -8.104 1.00 0.00 O ATOM 775 CB SER A 51 0.339 12.622 -5.073 1.00 0.00 C ATOM 776 OG SER A 51 1.734 12.364 -5.211 1.00 0.00 O ATOM 0 H SER A 51 -2.041 13.312 -5.328 1.00 0.00 H new ATOM 0 HA SER A 51 0.422 14.733 -5.385 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.094 12.735 -4.017 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.226 11.766 -5.442 1.00 0.00 H new ATOM 0 HG SER A 51 2.205 12.678 -4.411 1.00 0.00 H new ATOM 782 N LYS A 52 1.454 14.370 -7.618 1.00 0.00 N ATOM 783 CA LYS A 52 1.958 14.350 -8.981 1.00 0.00 C ATOM 784 C LYS A 52 2.905 13.160 -9.152 1.00 0.00 C ATOM 785 O LYS A 52 3.799 13.189 -9.996 1.00 0.00 O ATOM 786 CB LYS A 52 2.592 15.696 -9.337 1.00 0.00 C ATOM 787 CG LYS A 52 2.081 16.202 -10.687 1.00 0.00 C ATOM 788 CD LYS A 52 2.830 15.536 -11.843 1.00 0.00 C ATOM 789 CE LYS A 52 2.182 15.876 -13.186 1.00 0.00 C ATOM 790 NZ LYS A 52 3.202 15.926 -14.257 1.00 0.00 N ATOM 0 H LYS A 52 2.043 14.870 -6.952 1.00 0.00 H new ATOM 0 HA LYS A 52 1.140 14.212 -9.688 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.364 16.426 -8.561 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.677 15.594 -9.370 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.014 15.998 -10.775 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.205 17.283 -10.744 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.870 15.864 -11.844 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.836 14.455 -11.702 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.426 15.130 -13.431 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.671 16.837 -13.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.744 16.158 -15.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.909 16.654 -14.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.671 15.001 -14.333 1.00 0.00 H new ATOM 804 N ALA A 53 2.675 12.140 -8.337 1.00 0.00 N ATOM 805 CA ALA A 53 3.496 10.942 -8.388 1.00 0.00 C ATOM 806 C ALA A 53 2.719 9.826 -9.089 1.00 0.00 C ATOM 807 O ALA A 53 1.490 9.842 -9.114 1.00 0.00 O ATOM 808 CB ALA A 53 3.923 10.555 -6.970 1.00 0.00 C ATOM 0 H ALA A 53 1.932 12.119 -7.638 1.00 0.00 H new ATOM 0 HA ALA A 53 4.404 11.123 -8.964 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.539 9.656 -7.008 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.497 11.370 -6.528 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.038 10.363 -6.363 1.00 0.00 H new ATOM 814 N ASN A 54 3.469 8.883 -9.640 1.00 0.00 N ATOM 815 CA ASN A 54 2.866 7.761 -10.339 1.00 0.00 C ATOM 816 C ASN A 54 3.050 6.490 -9.508 1.00 0.00 C ATOM 817 O ASN A 54 2.219 5.583 -9.561 1.00 0.00 O ATOM 818 CB ASN A 54 3.531 7.537 -11.699 1.00 0.00 C ATOM 819 CG ASN A 54 5.035 7.806 -11.624 1.00 0.00 C ATOM 820 OD1 ASN A 54 5.483 8.917 -11.392 1.00 0.00 O ATOM 821 ND2 ASN A 54 5.788 6.730 -11.834 1.00 0.00 N ATOM 0 H ASN A 54 4.489 8.873 -9.617 1.00 0.00 H new ATOM 0 HA ASN A 54 1.809 7.984 -10.487 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.357 6.513 -12.029 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.077 8.193 -12.442 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.805 6.806 -11.806 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.349 5.829 -12.023 1.00 0.00 H new ATOM 828 N HIS A 55 4.142 6.463 -8.759 1.00 0.00 N ATOM 829 CA HIS A 55 4.445 5.318 -7.918 1.00 0.00 C ATOM 830 C HIS A 55 4.003 5.604 -6.482 1.00 0.00 C ATOM 831 O HIS A 55 4.413 6.600 -5.889 1.00 0.00 O ATOM 832 CB HIS A 55 5.926 4.947 -8.019 1.00 0.00 C ATOM 833 CG HIS A 55 6.245 3.554 -7.529 1.00 0.00 C ATOM 834 ND1 HIS A 55 7.399 2.879 -7.888 1.00 0.00 N ATOM 835 CD2 HIS A 55 5.550 2.718 -6.705 1.00 0.00 C ATOM 836 CE1 HIS A 55 7.388 1.691 -7.301 1.00 0.00 C ATOM 837 NE2 HIS A 55 6.241 1.593 -6.569 1.00 0.00 N ATOM 0 H HIS A 55 4.828 7.216 -8.717 1.00 0.00 H new ATOM 0 HA HIS A 55 3.887 4.449 -8.267 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.243 5.037 -9.058 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.510 5.666 -7.444 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.599 2.935 -6.242 1.00 0.00 H new ATOM 0 HE1 HIS A 55 8.153 0.933 -7.387 1.00 0.00 H new ATOM 0 HE2 HIS A 55 5.961 0.788 -6.009 1.00 0.00 H new ATOM 845 N PHE A 56 3.170 4.713 -5.964 1.00 0.00 N ATOM 846 CA PHE A 56 2.667 4.857 -4.609 1.00 0.00 C ATOM 847 C PHE A 56 2.843 3.560 -3.817 1.00 0.00 C ATOM 848 O PHE A 56 2.348 2.509 -4.223 1.00 0.00 O ATOM 849 CB PHE A 56 1.174 5.175 -4.718 1.00 0.00 C ATOM 850 CG PHE A 56 0.871 6.517 -5.387 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.796 7.649 -4.637 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.676 6.578 -6.731 1.00 0.00 C ATOM 853 CE1 PHE A 56 0.515 8.895 -5.258 1.00 0.00 C ATOM 854 CE2 PHE A 56 0.395 7.824 -7.352 1.00 0.00 C ATOM 855 CZ PHE A 56 0.320 8.956 -6.602 1.00 0.00 C ATOM 0 H PHE A 56 2.831 3.888 -6.459 1.00 0.00 H new ATOM 0 HA PHE A 56 3.215 5.644 -4.091 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.684 4.381 -5.281 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.738 5.172 -3.719 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.950 7.600 -3.569 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.735 5.679 -7.327 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.456 9.794 -4.662 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.241 7.873 -8.420 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.106 9.903 -7.074 1.00 0.00 H new ATOM 865 N LEU A 57 3.550 3.676 -2.703 1.00 0.00 N ATOM 866 CA LEU A 57 3.798 2.525 -1.851 1.00 0.00 C ATOM 867 C LEU A 57 2.870 2.585 -0.637 1.00 0.00 C ATOM 868 O LEU A 57 2.485 3.668 -0.198 1.00 0.00 O ATOM 869 CB LEU A 57 5.282 2.438 -1.487 1.00 0.00 C ATOM 870 CG LEU A 57 6.199 1.828 -2.550 1.00 0.00 C ATOM 871 CD1 LEU A 57 6.721 2.904 -3.505 1.00 0.00 C ATOM 872 CD2 LEU A 57 7.336 1.035 -1.903 1.00 0.00 C ATOM 0 H LEU A 57 3.959 4.549 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 57 3.569 1.601 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.640 3.442 -1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.378 1.852 -0.573 1.00 0.00 H new ATOM 0 HG LEU A 57 5.615 1.126 -3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.370 2.445 -4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.880 3.387 -4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.285 3.648 -2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.973 0.612 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.927 1.697 -1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.920 0.230 -1.297 1.00 0.00 H new ATOM 884 N ILE A 58 2.536 1.408 -0.128 1.00 0.00 N ATOM 885 CA ILE A 58 1.660 1.314 1.028 1.00 0.00 C ATOM 886 C ILE A 58 2.469 0.847 2.239 1.00 0.00 C ATOM 887 O ILE A 58 3.097 -0.210 2.201 1.00 0.00 O ATOM 888 CB ILE A 58 0.454 0.425 0.714 1.00 0.00 C ATOM 889 CG1 ILE A 58 -0.495 1.117 -0.266 1.00 0.00 C ATOM 890 CG2 ILE A 58 -0.259 -0.004 1.998 1.00 0.00 C ATOM 891 CD1 ILE A 58 -1.126 0.104 -1.225 1.00 0.00 C ATOM 0 H ILE A 58 2.856 0.512 -0.495 1.00 0.00 H new ATOM 0 HA ILE A 58 1.250 2.293 1.277 1.00 0.00 H new ATOM 0 HB ILE A 58 0.814 -0.482 0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.278 1.637 0.286 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.049 1.871 -0.834 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.112 -0.635 1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.432 -0.563 2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.606 0.879 2.534 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.796 0.621 -1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.342 -0.397 -1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.690 -0.634 -0.655 1.00 0.00 H new ATOM 903 N LEU A 59 2.428 1.657 3.286 1.00 0.00 N ATOM 904 CA LEU A 59 3.149 1.341 4.507 1.00 0.00 C ATOM 905 C LEU A 59 2.293 0.417 5.375 1.00 0.00 C ATOM 906 O LEU A 59 1.111 0.679 5.589 1.00 0.00 O ATOM 907 CB LEU A 59 3.587 2.622 5.219 1.00 0.00 C ATOM 908 CG LEU A 59 4.393 2.433 6.506 1.00 0.00 C ATOM 909 CD1 LEU A 59 5.831 2.016 6.195 1.00 0.00 C ATOM 910 CD2 LEU A 59 4.336 3.689 7.378 1.00 0.00 C ATOM 0 H LEU A 59 1.906 2.533 3.314 1.00 0.00 H new ATOM 0 HA LEU A 59 4.068 0.802 4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.183 3.214 4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.697 3.206 5.454 1.00 0.00 H new ATOM 0 HG LEU A 59 3.939 1.623 7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.382 1.888 7.127 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.826 1.075 5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.311 2.787 5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.917 3.528 8.286 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.750 4.533 6.827 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.300 3.902 7.643 1.00 0.00 H new ATOM 922 N PHE A 60 2.924 -0.647 5.852 1.00 0.00 N ATOM 923 CA PHE A 60 2.234 -1.611 6.693 1.00 0.00 C ATOM 924 C PHE A 60 2.860 -1.670 8.087 1.00 0.00 C ATOM 925 O PHE A 60 3.790 -0.922 8.386 1.00 0.00 O ATOM 926 CB PHE A 60 2.385 -2.978 6.021 1.00 0.00 C ATOM 927 CG PHE A 60 1.915 -3.011 4.565 1.00 0.00 C ATOM 928 CD1 PHE A 60 2.749 -2.602 3.572 1.00 0.00 C ATOM 929 CD2 PHE A 60 0.664 -3.450 4.265 1.00 0.00 C ATOM 930 CE1 PHE A 60 2.313 -2.633 2.221 1.00 0.00 C ATOM 931 CE2 PHE A 60 0.228 -3.481 2.914 1.00 0.00 C ATOM 932 CZ PHE A 60 1.062 -3.072 1.920 1.00 0.00 C ATOM 0 H PHE A 60 3.905 -0.862 5.672 1.00 0.00 H new ATOM 0 HA PHE A 60 1.188 -1.325 6.806 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.432 -3.277 6.061 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.821 -3.716 6.591 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.743 -2.254 3.811 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.002 -3.775 5.054 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.975 -2.308 1.432 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.766 -3.829 2.675 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.730 -3.096 0.892 1.00 0.00 H new ATOM 942 N ARG A 61 2.326 -2.565 8.904 1.00 0.00 N ATOM 943 CA ARG A 61 2.820 -2.731 10.260 1.00 0.00 C ATOM 944 C ARG A 61 3.873 -3.841 10.309 1.00 0.00 C ATOM 945 O ARG A 61 4.909 -3.690 10.954 1.00 0.00 O ATOM 946 CB ARG A 61 1.682 -3.074 11.223 1.00 0.00 C ATOM 947 CG ARG A 61 2.038 -2.675 12.657 1.00 0.00 C ATOM 948 CD ARG A 61 2.888 -3.755 13.331 1.00 0.00 C ATOM 949 NE ARG A 61 2.771 -3.646 14.802 1.00 0.00 N ATOM 950 CZ ARG A 61 3.676 -4.125 15.666 1.00 0.00 C ATOM 951 NH1 ARG A 61 4.771 -4.748 15.211 1.00 0.00 N ATOM 952 NH2 ARG A 61 3.487 -3.980 16.985 1.00 0.00 N ATOM 0 H ARG A 61 1.555 -3.184 8.653 1.00 0.00 H new ATOM 0 HA ARG A 61 3.268 -1.786 10.568 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.772 -2.560 10.914 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.474 -4.143 11.180 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.581 -1.730 12.651 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.125 -2.514 13.231 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.562 -4.742 13.004 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.931 -3.648 13.032 1.00 0.00 H new ATOM 0 HE ARG A 61 1.949 -3.176 15.182 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.915 -4.857 14.207 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.460 -5.113 15.868 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.654 -3.505 17.332 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.176 -4.345 17.642 1.00 0.00 H new ATOM 1011 N GLN A 66 -1.919 -4.501 7.161 1.00 0.00 N ATOM 1012 CA GLN A 66 -2.828 -3.369 7.212 1.00 0.00 C ATOM 1013 C GLN A 66 -2.137 -2.110 6.684 1.00 0.00 C ATOM 1014 O GLN A 66 -0.910 -2.027 6.676 1.00 0.00 O ATOM 1015 CB GLN A 66 -3.352 -3.151 8.633 1.00 0.00 C ATOM 1016 CG GLN A 66 -2.198 -2.993 9.626 1.00 0.00 C ATOM 1017 CD GLN A 66 -2.697 -3.101 11.068 1.00 0.00 C ATOM 1018 OE1 GLN A 66 -2.648 -4.148 11.692 1.00 0.00 O ATOM 1019 NE2 GLN A 66 -3.179 -1.964 11.560 1.00 0.00 N ATOM 0 HA GLN A 66 -3.684 -3.586 6.573 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.983 -2.263 8.659 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.977 -3.994 8.927 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.446 -3.759 9.439 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.714 -2.028 9.476 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.191 -1.123 10.983 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.537 -1.933 12.515 1.00 0.00 H new ATOM 1028 N PHE A 67 -2.956 -1.160 6.256 1.00 0.00 N ATOM 1029 CA PHE A 67 -2.439 0.091 5.727 1.00 0.00 C ATOM 1030 C PHE A 67 -2.102 1.066 6.857 1.00 0.00 C ATOM 1031 O PHE A 67 -2.940 1.344 7.713 1.00 0.00 O ATOM 1032 CB PHE A 67 -3.542 0.699 4.858 1.00 0.00 C ATOM 1033 CG PHE A 67 -3.212 2.091 4.316 1.00 0.00 C ATOM 1034 CD1 PHE A 67 -3.399 3.187 5.099 1.00 0.00 C ATOM 1035 CD2 PHE A 67 -2.730 2.232 3.052 1.00 0.00 C ATOM 1036 CE1 PHE A 67 -3.092 4.479 4.596 1.00 0.00 C ATOM 1037 CE2 PHE A 67 -2.424 3.524 2.549 1.00 0.00 C ATOM 1038 CZ PHE A 67 -2.611 4.620 3.332 1.00 0.00 C ATOM 0 H PHE A 67 -3.973 -1.231 6.265 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.528 -0.094 5.158 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.739 0.031 4.019 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.460 0.756 5.442 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.781 3.075 6.103 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.580 1.361 2.431 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.241 5.350 5.217 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.043 3.636 1.545 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.377 5.603 2.950 1.00 0.00 H new ATOM 1048 N ARG A 68 -0.872 1.558 6.823 1.00 0.00 N ATOM 1049 CA ARG A 68 -0.413 2.496 7.833 1.00 0.00 C ATOM 1050 C ARG A 68 -0.378 3.915 7.263 1.00 0.00 C ATOM 1051 O ARG A 68 -0.898 4.847 7.876 1.00 0.00 O ATOM 1052 CB ARG A 68 0.982 2.122 8.338 1.00 0.00 C ATOM 1053 CG ARG A 68 0.900 1.353 9.658 1.00 0.00 C ATOM 1054 CD ARG A 68 0.219 2.192 10.741 1.00 0.00 C ATOM 1055 NE ARG A 68 -0.895 1.429 11.347 1.00 0.00 N ATOM 1056 CZ ARG A 68 -1.584 1.833 12.423 1.00 0.00 C ATOM 1057 NH1 ARG A 68 -1.276 2.993 13.019 1.00 0.00 N ATOM 1058 NH2 ARG A 68 -2.579 1.075 12.904 1.00 0.00 N ATOM 0 H ARG A 68 -0.179 1.324 6.112 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.113 2.453 8.668 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.492 1.515 7.590 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.577 3.025 8.475 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.346 0.426 9.509 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.902 1.076 9.984 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.943 2.466 11.509 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.157 3.120 10.311 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.154 0.540 10.919 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.517 3.568 12.654 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.800 3.301 13.838 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.811 0.191 12.451 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.104 1.382 13.723 1.00 0.00 H new ATOM 1072 N ALA A 69 0.239 4.036 6.097 1.00 0.00 N ATOM 1073 CA ALA A 69 0.349 5.326 5.438 1.00 0.00 C ATOM 1074 C ALA A 69 0.838 5.121 4.003 1.00 0.00 C ATOM 1075 O ALA A 69 1.635 4.222 3.738 1.00 0.00 O ATOM 1076 CB ALA A 69 1.276 6.236 6.246 1.00 0.00 C ATOM 0 H ALA A 69 0.668 3.261 5.591 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.624 5.815 5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.358 7.204 5.751 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.868 6.374 7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.263 5.780 6.316 1.00 0.00 H new ATOM 1082 N LEU A 70 0.342 5.969 3.115 1.00 0.00 N ATOM 1083 CA LEU A 70 0.719 5.892 1.714 1.00 0.00 C ATOM 1084 C LEU A 70 1.966 6.747 1.478 1.00 0.00 C ATOM 1085 O LEU A 70 2.150 7.774 2.128 1.00 0.00 O ATOM 1086 CB LEU A 70 -0.464 6.270 0.820 1.00 0.00 C ATOM 1087 CG LEU A 70 -0.267 6.049 -0.681 1.00 0.00 C ATOM 1088 CD1 LEU A 70 -0.395 4.566 -1.038 1.00 0.00 C ATOM 1089 CD2 LEU A 70 -1.227 6.919 -1.495 1.00 0.00 C ATOM 0 H LEU A 70 -0.318 6.714 3.338 1.00 0.00 H new ATOM 0 HA LEU A 70 0.979 4.868 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.334 5.697 1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.697 7.322 0.985 1.00 0.00 H new ATOM 0 HG LEU A 70 0.746 6.357 -0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.251 4.436 -2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.361 3.995 -0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.386 4.209 -0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.066 6.742 -2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.255 6.666 -1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.045 7.970 -1.270 1.00 0.00 H new ATOM 1101 N TYR A 71 2.789 6.290 0.547 1.00 0.00 N ATOM 1102 CA TYR A 71 4.014 6.999 0.217 1.00 0.00 C ATOM 1103 C TYR A 71 4.263 6.992 -1.293 1.00 0.00 C ATOM 1104 O TYR A 71 3.891 6.043 -1.982 1.00 0.00 O ATOM 1105 CB TYR A 71 5.143 6.236 0.912 1.00 0.00 C ATOM 1106 CG TYR A 71 5.388 6.668 2.359 1.00 0.00 C ATOM 1107 CD1 TYR A 71 4.601 6.160 3.373 1.00 0.00 C ATOM 1108 CD2 TYR A 71 6.394 7.566 2.651 1.00 0.00 C ATOM 1109 CE1 TYR A 71 4.831 6.566 4.735 1.00 0.00 C ATOM 1110 CE2 TYR A 71 6.624 7.972 4.013 1.00 0.00 C ATOM 1111 CZ TYR A 71 5.831 7.452 4.988 1.00 0.00 C ATOM 1112 OH TYR A 71 6.048 7.836 6.275 1.00 0.00 O ATOM 0 H TYR A 71 2.632 5.437 0.010 1.00 0.00 H new ATOM 0 HA TYR A 71 3.953 8.039 0.537 1.00 0.00 H new ATOM 0 HB2 TYR A 71 4.911 5.171 0.896 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.063 6.371 0.343 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.813 5.458 3.145 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.009 7.964 1.858 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.223 6.176 5.538 1.00 0.00 H new ATOM 0 HE2 TYR A 71 7.409 8.674 4.255 1.00 0.00 H new ATOM 0 HH TYR A 71 6.934 8.249 6.348 1.00 0.00 H new ATOM 1122 N THR A 72 4.889 8.060 -1.762 1.00 0.00 N ATOM 1123 CA THR A 72 5.192 8.189 -3.178 1.00 0.00 C ATOM 1124 C THR A 72 6.693 8.022 -3.419 1.00 0.00 C ATOM 1125 O THR A 72 7.506 8.696 -2.788 1.00 0.00 O ATOM 1126 CB THR A 72 4.645 9.535 -3.658 1.00 0.00 C ATOM 1127 OG1 THR A 72 4.863 10.411 -2.556 1.00 0.00 O ATOM 1128 CG2 THR A 72 3.124 9.522 -3.828 1.00 0.00 C ATOM 0 H THR A 72 5.195 8.845 -1.187 1.00 0.00 H new ATOM 0 HA THR A 72 4.712 7.401 -3.759 1.00 0.00 H new ATOM 0 HB THR A 72 5.114 9.800 -4.606 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.539 11.308 -2.782 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.788 10.501 -4.170 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.846 8.766 -4.562 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.653 9.290 -2.873 1.00 0.00 H new ATOM 1136 N LEU A 73 7.016 7.120 -4.335 1.00 0.00 N ATOM 1137 CA LEU A 73 8.406 6.856 -4.668 1.00 0.00 C ATOM 1138 C LEU A 73 8.911 7.937 -5.625 1.00 0.00 C ATOM 1139 O LEU A 73 8.259 8.241 -6.623 1.00 0.00 O ATOM 1140 CB LEU A 73 8.566 5.433 -5.207 1.00 0.00 C ATOM 1141 CG LEU A 73 9.955 5.070 -5.737 1.00 0.00 C ATOM 1142 CD1 LEU A 73 11.041 5.430 -4.721 1.00 0.00 C ATOM 1143 CD2 LEU A 73 10.018 3.596 -6.144 1.00 0.00 C ATOM 0 H LEU A 73 6.339 6.563 -4.857 1.00 0.00 H new ATOM 0 HA LEU A 73 9.028 6.906 -3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.308 4.733 -4.412 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.843 5.286 -6.009 1.00 0.00 H new ATOM 0 HG LEU A 73 10.144 5.661 -6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.018 5.162 -5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.012 6.501 -4.522 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.867 4.884 -3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.015 3.364 -6.517 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.799 2.970 -5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.284 3.403 -6.926 1.00 0.00 H new ATOM 1155 N SER A 74 10.067 8.489 -5.288 1.00 0.00 N ATOM 1156 CA SER A 74 10.667 9.530 -6.105 1.00 0.00 C ATOM 1157 C SER A 74 11.425 8.903 -7.277 1.00 0.00 C ATOM 1158 O SER A 74 12.303 8.065 -7.076 1.00 0.00 O ATOM 1159 CB SER A 74 11.604 10.410 -5.276 1.00 0.00 C ATOM 1160 OG SER A 74 10.934 11.549 -4.742 1.00 0.00 O ATOM 0 H SER A 74 10.605 8.235 -4.459 1.00 0.00 H new ATOM 0 HA SER A 74 9.869 10.163 -6.493 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.026 9.822 -4.461 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.437 10.738 -5.897 1.00 0.00 H new ATOM 0 HG SER A 74 11.294 12.363 -5.153 1.00 0.00 H new ATOM 1166 N GLY A 75 11.059 9.334 -8.475 1.00 0.00 N ATOM 1167 CA GLY A 75 11.695 8.825 -9.679 1.00 0.00 C ATOM 1168 C GLY A 75 13.120 9.364 -9.816 1.00 0.00 C ATOM 1169 O GLY A 75 13.896 8.876 -10.637 1.00 0.00 O ATOM 0 H GLY A 75 10.331 10.029 -8.638 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.716 7.736 -9.651 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.109 9.110 -10.553 1.00 0.00 H new ATOM 1173 N GLU A 76 13.423 10.362 -8.999 1.00 0.00 N ATOM 1174 CA GLU A 76 14.741 10.972 -9.019 1.00 0.00 C ATOM 1175 C GLU A 76 15.706 10.178 -8.136 1.00 0.00 C ATOM 1176 O GLU A 76 16.905 10.130 -8.407 1.00 0.00 O ATOM 1177 CB GLU A 76 14.675 12.436 -8.580 1.00 0.00 C ATOM 1178 CG GLU A 76 14.210 12.553 -7.127 1.00 0.00 C ATOM 1179 CD GLU A 76 12.909 13.353 -7.030 1.00 0.00 C ATOM 1180 OE1 GLU A 76 12.944 14.541 -7.416 1.00 0.00 O ATOM 1181 OE2 GLU A 76 11.910 12.758 -6.572 1.00 0.00 O ATOM 0 H GLU A 76 12.778 10.763 -8.319 1.00 0.00 H new ATOM 0 HA GLU A 76 15.114 10.951 -10.043 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.657 12.897 -8.689 1.00 0.00 H new ATOM 0 HB3 GLU A 76 13.992 12.984 -9.229 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.061 11.558 -6.708 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.984 13.037 -6.532 1.00 0.00 H new ATOM 1188 N THR A 77 15.147 9.576 -7.097 1.00 0.00 N ATOM 1189 CA THR A 77 15.944 8.787 -6.172 1.00 0.00 C ATOM 1190 C THR A 77 15.238 7.467 -5.852 1.00 0.00 C ATOM 1191 O THR A 77 14.528 6.919 -6.694 1.00 0.00 O ATOM 1192 CB THR A 77 16.219 9.644 -4.935 1.00 0.00 C ATOM 1193 OG1 THR A 77 14.938 9.810 -4.335 1.00 0.00 O ATOM 1194 CG2 THR A 77 16.650 11.068 -5.293 1.00 0.00 C ATOM 0 H THR A 77 14.152 9.618 -6.875 1.00 0.00 H new ATOM 0 HA THR A 77 16.902 8.509 -6.612 1.00 0.00 H new ATOM 0 HB THR A 77 16.994 9.171 -4.331 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.039 9.878 -3.363 1.00 0.00 H new ATOM 0 HG21 THR A 77 16.832 11.633 -4.379 1.00 0.00 H new ATOM 0 HG22 THR A 77 17.563 11.033 -5.887 1.00 0.00 H new ATOM 0 HG23 THR A 77 15.861 11.553 -5.868 1.00 0.00 H new ATOM 1202 N GLU A 78 15.458 6.996 -4.634 1.00 0.00 N ATOM 1203 CA GLU A 78 14.852 5.752 -4.192 1.00 0.00 C ATOM 1204 C GLU A 78 14.146 5.952 -2.849 1.00 0.00 C ATOM 1205 O GLU A 78 13.636 4.998 -2.264 1.00 0.00 O ATOM 1206 CB GLU A 78 15.894 4.636 -4.102 1.00 0.00 C ATOM 1207 CG GLU A 78 16.800 4.631 -5.335 1.00 0.00 C ATOM 1208 CD GLU A 78 17.848 3.520 -5.241 1.00 0.00 C ATOM 1209 OE1 GLU A 78 18.721 3.637 -4.353 1.00 0.00 O ATOM 1210 OE2 GLU A 78 17.753 2.579 -6.058 1.00 0.00 O ATOM 0 H GLU A 78 16.048 7.454 -3.939 1.00 0.00 H new ATOM 0 HA GLU A 78 14.108 5.452 -4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 78 16.497 4.768 -3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 78 15.393 3.672 -4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.198 4.492 -6.233 1.00 0.00 H new ATOM 0 HG3 GLU A 78 17.296 5.597 -5.430 1.00 0.00 H new ATOM 1217 N GLU A 79 14.138 7.199 -2.401 1.00 0.00 N ATOM 1218 CA GLU A 79 13.503 7.536 -1.139 1.00 0.00 C ATOM 1219 C GLU A 79 11.982 7.564 -1.300 1.00 0.00 C ATOM 1220 O GLU A 79 11.474 7.617 -2.419 1.00 0.00 O ATOM 1221 CB GLU A 79 14.022 8.873 -0.604 1.00 0.00 C ATOM 1222 CG GLU A 79 15.452 8.735 -0.077 1.00 0.00 C ATOM 1223 CD GLU A 79 16.438 8.495 -1.222 1.00 0.00 C ATOM 1224 OE1 GLU A 79 16.733 9.480 -1.932 1.00 0.00 O ATOM 1225 OE2 GLU A 79 16.873 7.332 -1.362 1.00 0.00 O ATOM 0 H GLU A 79 14.561 7.988 -2.890 1.00 0.00 H new ATOM 0 HA GLU A 79 13.757 6.766 -0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.993 9.621 -1.396 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.369 9.228 0.194 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.732 9.638 0.465 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.504 7.908 0.632 1.00 0.00 H new ATOM 1232 N LEU A 80 11.298 7.527 -0.166 1.00 0.00 N ATOM 1233 CA LEU A 80 9.845 7.547 -0.168 1.00 0.00 C ATOM 1234 C LEU A 80 9.354 8.723 0.679 1.00 0.00 C ATOM 1235 O LEU A 80 9.773 8.885 1.824 1.00 0.00 O ATOM 1236 CB LEU A 80 9.290 6.193 0.280 1.00 0.00 C ATOM 1237 CG LEU A 80 9.369 5.063 -0.749 1.00 0.00 C ATOM 1238 CD1 LEU A 80 9.942 3.790 -0.122 1.00 0.00 C ATOM 1239 CD2 LEU A 80 8.006 4.818 -1.400 1.00 0.00 C ATOM 0 H LEU A 80 11.723 7.483 0.760 1.00 0.00 H new ATOM 0 HA LEU A 80 9.468 7.702 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.827 5.881 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.246 6.326 0.565 1.00 0.00 H new ATOM 0 HG LEU A 80 10.053 5.369 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.987 3.003 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.945 3.990 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.302 3.470 0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.090 4.010 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.281 4.543 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.675 5.726 -1.903 1.00 0.00 H new ATOM 1251 N SER A 81 8.474 9.513 0.083 1.00 0.00 N ATOM 1252 CA SER A 81 7.922 10.669 0.768 1.00 0.00 C ATOM 1253 C SER A 81 6.577 10.309 1.402 1.00 0.00 C ATOM 1254 O SER A 81 5.818 9.516 0.848 1.00 0.00 O ATOM 1255 CB SER A 81 7.757 11.851 -0.190 1.00 0.00 C ATOM 1256 OG SER A 81 7.472 13.063 0.502 1.00 0.00 O ATOM 0 H SER A 81 8.129 9.375 -0.867 1.00 0.00 H new ATOM 0 HA SER A 81 8.619 10.966 1.552 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.668 11.973 -0.775 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.953 11.638 -0.894 1.00 0.00 H new ATOM 0 HG SER A 81 7.376 13.794 -0.144 1.00 0.00 H new ATOM 1262 N ARG A 82 6.323 10.909 2.556 1.00 0.00 N ATOM 1263 CA ARG A 82 5.083 10.662 3.272 1.00 0.00 C ATOM 1264 C ARG A 82 3.938 11.455 2.639 1.00 0.00 C ATOM 1265 O ARG A 82 3.779 12.644 2.908 1.00 0.00 O ATOM 1266 CB ARG A 82 5.211 11.051 4.746 1.00 0.00 C ATOM 1267 CG ARG A 82 3.966 10.636 5.532 1.00 0.00 C ATOM 1268 CD ARG A 82 3.816 11.473 6.803 1.00 0.00 C ATOM 1269 NE ARG A 82 2.385 11.747 7.063 1.00 0.00 N ATOM 1270 CZ ARG A 82 1.940 12.611 7.987 1.00 0.00 C ATOM 1271 NH1 ARG A 82 2.813 13.289 8.744 1.00 0.00 N ATOM 1272 NH2 ARG A 82 0.624 12.796 8.153 1.00 0.00 N ATOM 0 H ARG A 82 6.955 11.566 3.013 1.00 0.00 H new ATOM 0 HA ARG A 82 4.869 9.595 3.208 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.092 10.575 5.176 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.357 12.128 4.830 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.081 10.755 4.907 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.032 9.580 5.793 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.253 10.944 7.650 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.361 12.411 6.697 1.00 0.00 H new ATOM 0 HE ARG A 82 1.694 11.247 6.504 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.815 13.148 8.617 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.475 13.946 9.447 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -0.040 12.280 7.576 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.286 13.453 8.856 1.00 0.00 H new ATOM 1286 N LEU A 83 3.169 10.764 1.810 1.00 0.00 N ATOM 1287 CA LEU A 83 2.043 11.388 1.137 1.00 0.00 C ATOM 1288 C LEU A 83 0.980 11.764 2.172 1.00 0.00 C ATOM 1289 O LEU A 83 0.676 12.941 2.355 1.00 0.00 O ATOM 1290 CB LEU A 83 1.520 10.486 0.018 1.00 0.00 C ATOM 1291 CG LEU A 83 0.389 11.063 -0.836 1.00 0.00 C ATOM 1292 CD1 LEU A 83 0.774 12.430 -1.405 1.00 0.00 C ATOM 1293 CD2 LEU A 83 -0.026 10.082 -1.934 1.00 0.00 C ATOM 0 H LEU A 83 3.304 9.777 1.589 1.00 0.00 H new ATOM 0 HA LEU A 83 2.355 12.312 0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.353 10.236 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.173 9.553 0.463 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.479 11.214 -0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.047 12.818 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.980 13.120 -0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.664 12.328 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.831 10.518 -2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.828 9.876 -2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.371 9.153 -1.480 1.00 0.00 H new ATOM 1305 N ALA A 84 0.445 10.740 2.821 1.00 0.00 N ATOM 1306 CA ALA A 84 -0.577 10.948 3.833 1.00 0.00 C ATOM 1307 C ALA A 84 -0.501 9.823 4.867 1.00 0.00 C ATOM 1308 O ALA A 84 0.243 8.859 4.688 1.00 0.00 O ATOM 1309 CB ALA A 84 -1.950 11.031 3.162 1.00 0.00 C ATOM 0 H ALA A 84 0.700 9.765 2.666 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.412 11.889 4.357 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.717 11.187 3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.961 11.863 2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.151 10.102 2.629 1.00 0.00 H new ATOM 1315 N GLY A 85 -1.280 9.982 5.927 1.00 0.00 N ATOM 1316 CA GLY A 85 -1.310 8.992 6.990 1.00 0.00 C ATOM 1317 C GLY A 85 -0.540 9.483 8.218 1.00 0.00 C ATOM 1318 O GLY A 85 -0.696 10.629 8.636 1.00 0.00 O ATOM 0 H GLY A 85 -1.896 10.782 6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.343 8.780 7.265 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.876 8.058 6.634 1.00 0.00 H new ATOM 1322 N TYR A 86 0.275 8.590 8.761 1.00 0.00 N ATOM 1323 CA TYR A 86 1.069 8.918 9.932 1.00 0.00 C ATOM 1324 C TYR A 86 2.320 8.039 10.010 1.00 0.00 C ATOM 1325 O TYR A 86 2.219 6.816 10.094 1.00 0.00 O ATOM 1326 CB TYR A 86 0.179 8.625 11.141 1.00 0.00 C ATOM 1327 CG TYR A 86 0.887 8.781 12.489 1.00 0.00 C ATOM 1328 CD1 TYR A 86 1.536 9.959 12.795 1.00 0.00 C ATOM 1329 CD2 TYR A 86 0.877 7.742 13.398 1.00 0.00 C ATOM 1330 CE1 TYR A 86 2.203 10.106 14.063 1.00 0.00 C ATOM 1331 CE2 TYR A 86 1.544 7.889 14.666 1.00 0.00 C ATOM 1332 CZ TYR A 86 2.174 9.064 14.935 1.00 0.00 C ATOM 1333 OH TYR A 86 2.803 9.202 16.133 1.00 0.00 O ATOM 0 H TYR A 86 0.402 7.640 8.411 1.00 0.00 H new ATOM 0 HA TYR A 86 1.395 9.957 9.895 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.682 9.293 11.115 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.204 7.608 11.059 1.00 0.00 H new ATOM 0 HD1 TYR A 86 1.544 10.771 12.083 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.369 6.819 13.158 1.00 0.00 H new ATOM 0 HE1 TYR A 86 2.714 11.023 14.315 1.00 0.00 H new ATOM 0 HE2 TYR A 86 1.544 7.085 15.387 1.00 0.00 H new ATOM 0 HH TYR A 86 2.699 8.379 16.654 1.00 0.00 H new ATOM 1343 N GLY A 87 3.469 8.697 9.980 1.00 0.00 N ATOM 1344 CA GLY A 87 4.738 7.991 10.046 1.00 0.00 C ATOM 1345 C GLY A 87 5.910 8.949 9.829 1.00 0.00 C ATOM 1346 O GLY A 87 5.804 10.140 10.115 1.00 0.00 O ATOM 0 H GLY A 87 3.548 9.712 9.911 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.837 7.503 11.016 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.761 7.206 9.291 1.00 0.00 H new ATOM 1350 N PRO A 88 7.031 8.377 9.312 1.00 0.00 N ATOM 1351 CA PRO A 88 8.223 9.167 9.053 1.00 0.00 C ATOM 1352 C PRO A 88 8.046 10.033 7.804 1.00 0.00 C ATOM 1353 O PRO A 88 7.705 9.527 6.736 1.00 0.00 O ATOM 1354 CB PRO A 88 9.346 8.152 8.918 1.00 0.00 C ATOM 1355 CG PRO A 88 8.672 6.818 8.644 1.00 0.00 C ATOM 1356 CD PRO A 88 7.193 6.969 8.961 1.00 0.00 C ATOM 0 HA PRO A 88 8.439 9.876 9.852 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.021 8.422 8.106 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.944 8.108 9.828 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.811 6.527 7.603 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.116 6.033 9.257 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.575 6.701 8.104 1.00 0.00 H new ATOM 0 HD3 PRO A 88 6.896 6.319 9.784 1.00 0.00 H new ATOM 1364 N ARG A 89 8.286 11.325 7.980 1.00 0.00 N ATOM 1365 CA ARG A 89 8.157 12.266 6.880 1.00 0.00 C ATOM 1366 C ARG A 89 8.634 11.625 5.575 1.00 0.00 C ATOM 1367 O ARG A 89 7.972 11.740 4.545 1.00 0.00 O ATOM 1368 CB ARG A 89 8.969 13.535 7.144 1.00 0.00 C ATOM 1369 CG ARG A 89 8.743 14.570 6.040 1.00 0.00 C ATOM 1370 CD ARG A 89 9.240 15.951 6.473 1.00 0.00 C ATOM 1371 NE ARG A 89 9.517 16.785 5.282 1.00 0.00 N ATOM 1372 CZ ARG A 89 9.931 18.058 5.337 1.00 0.00 C ATOM 1373 NH1 ARG A 89 10.118 18.652 6.524 1.00 0.00 N ATOM 1374 NH2 ARG A 89 10.158 18.738 4.205 1.00 0.00 N ATOM 0 H ARG A 89 8.569 11.742 8.867 1.00 0.00 H new ATOM 0 HA ARG A 89 7.104 12.534 6.793 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.686 13.958 8.108 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.029 13.287 7.204 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.263 14.260 5.134 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.682 14.621 5.796 1.00 0.00 H new ATOM 0 HD2 ARG A 89 8.492 16.436 7.101 1.00 0.00 H new ATOM 0 HD3 ARG A 89 10.143 15.850 7.074 1.00 0.00 H new ATOM 0 HE ARG A 89 9.384 16.364 4.362 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.945 18.135 7.386 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.433 19.621 6.565 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.016 18.286 3.302 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.473 19.707 4.247 1.00 0.00 H new ATOM 1388 N THR A 90 9.779 10.964 5.661 1.00 0.00 N ATOM 1389 CA THR A 90 10.353 10.306 4.500 1.00 0.00 C ATOM 1390 C THR A 90 10.941 8.949 4.893 1.00 0.00 C ATOM 1391 O THR A 90 11.149 8.677 6.074 1.00 0.00 O ATOM 1392 CB THR A 90 11.378 11.255 3.876 1.00 0.00 C ATOM 1393 OG1 THR A 90 10.588 12.307 3.329 1.00 0.00 O ATOM 1394 CG2 THR A 90 12.078 10.643 2.661 1.00 0.00 C ATOM 0 H THR A 90 10.325 10.870 6.517 1.00 0.00 H new ATOM 0 HA THR A 90 9.591 10.090 3.751 1.00 0.00 H new ATOM 0 HB THR A 90 12.122 11.529 4.624 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.173 12.969 2.905 1.00 0.00 H new ATOM 0 HG21 THR A 90 12.795 11.357 2.256 1.00 0.00 H new ATOM 0 HG22 THR A 90 12.601 9.735 2.961 1.00 0.00 H new ATOM 0 HG23 THR A 90 11.338 10.400 1.899 1.00 0.00 H new ATOM 1402 N VAL A 91 11.193 8.133 3.880 1.00 0.00 N ATOM 1403 CA VAL A 91 11.753 6.811 4.104 1.00 0.00 C ATOM 1404 C VAL A 91 12.846 6.543 3.068 1.00 0.00 C ATOM 1405 O VAL A 91 12.867 7.165 2.007 1.00 0.00 O ATOM 1406 CB VAL A 91 10.640 5.761 4.086 1.00 0.00 C ATOM 1407 CG1 VAL A 91 11.217 4.349 4.195 1.00 0.00 C ATOM 1408 CG2 VAL A 91 9.619 6.025 5.195 1.00 0.00 C ATOM 0 H VAL A 91 11.020 8.362 2.901 1.00 0.00 H new ATOM 0 HA VAL A 91 12.218 6.754 5.088 1.00 0.00 H new ATOM 0 HB VAL A 91 10.122 5.838 3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 91 10.405 3.622 4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.886 4.163 3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.772 4.254 5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.839 5.265 5.160 1.00 0.00 H new ATOM 0 HG22 VAL A 91 10.117 5.990 6.164 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.173 7.009 5.052 1.00 0.00 H new ATOM 1418 N THR A 92 13.727 5.615 3.411 1.00 0.00 N ATOM 1419 CA THR A 92 14.820 5.256 2.523 1.00 0.00 C ATOM 1420 C THR A 92 14.923 3.735 2.392 1.00 0.00 C ATOM 1421 O THR A 92 14.298 2.999 3.154 1.00 0.00 O ATOM 1422 CB THR A 92 16.097 5.908 3.058 1.00 0.00 C ATOM 1423 OG1 THR A 92 16.577 4.983 4.031 1.00 0.00 O ATOM 1424 CG2 THR A 92 15.813 7.179 3.861 1.00 0.00 C ATOM 0 H THR A 92 13.706 5.101 4.292 1.00 0.00 H new ATOM 0 HA THR A 92 14.647 5.627 1.513 1.00 0.00 H new ATOM 0 HB THR A 92 16.760 6.145 2.226 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.405 5.326 4.428 1.00 0.00 H new ATOM 0 HG21 THR A 92 16.752 7.602 4.217 1.00 0.00 H new ATOM 0 HG22 THR A 92 15.306 7.905 3.225 1.00 0.00 H new ATOM 0 HG23 THR A 92 15.178 6.937 4.713 1.00 0.00 H new ATOM 1432 N PRO A 93 15.737 3.298 1.394 1.00 0.00 N ATOM 1433 CA PRO A 93 15.930 1.878 1.153 1.00 0.00 C ATOM 1434 C PRO A 93 16.843 1.261 2.215 1.00 0.00 C ATOM 1435 O PRO A 93 17.020 0.045 2.255 1.00 0.00 O ATOM 1436 CB PRO A 93 16.509 1.793 -0.250 1.00 0.00 C ATOM 1437 CG PRO A 93 17.051 3.178 -0.563 1.00 0.00 C ATOM 1438 CD PRO A 93 16.493 4.141 0.472 1.00 0.00 C ATOM 0 HA PRO A 93 15.003 1.309 1.222 1.00 0.00 H new ATOM 0 HB2 PRO A 93 17.299 1.044 -0.302 1.00 0.00 H new ATOM 0 HB3 PRO A 93 15.745 1.501 -0.971 1.00 0.00 H new ATOM 0 HG2 PRO A 93 18.141 3.177 -0.535 1.00 0.00 H new ATOM 0 HG3 PRO A 93 16.758 3.485 -1.567 1.00 0.00 H new ATOM 0 HD2 PRO A 93 17.292 4.674 0.988 1.00 0.00 H new ATOM 0 HD3 PRO A 93 15.854 4.893 0.009 1.00 0.00 H new ATOM 1446 N ALA A 94 17.398 2.128 3.049 1.00 0.00 N ATOM 1447 CA ALA A 94 18.287 1.684 4.108 1.00 0.00 C ATOM 1448 C ALA A 94 17.468 1.388 5.366 1.00 0.00 C ATOM 1449 O ALA A 94 17.994 0.856 6.343 1.00 0.00 O ATOM 1450 CB ALA A 94 19.364 2.744 4.350 1.00 0.00 C ATOM 0 H ALA A 94 17.249 3.136 3.012 1.00 0.00 H new ATOM 0 HA ALA A 94 18.795 0.763 3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 94 20.031 2.410 5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 94 19.937 2.896 3.435 1.00 0.00 H new ATOM 0 HB3 ALA A 94 18.892 3.682 4.642 1.00 0.00 H new ATOM 1456 N MET A 95 16.194 1.746 5.302 1.00 0.00 N ATOM 1457 CA MET A 95 15.297 1.526 6.423 1.00 0.00 C ATOM 1458 C MET A 95 14.249 0.464 6.087 1.00 0.00 C ATOM 1459 O MET A 95 13.684 -0.162 6.983 1.00 0.00 O ATOM 1460 CB MET A 95 14.597 2.838 6.783 1.00 0.00 C ATOM 1461 CG MET A 95 15.492 3.713 7.664 1.00 0.00 C ATOM 1462 SD MET A 95 14.487 4.750 8.714 1.00 0.00 S ATOM 1463 CE MET A 95 13.111 5.059 7.620 1.00 0.00 C ATOM 0 H MET A 95 15.762 2.187 4.490 1.00 0.00 H new ATOM 0 HA MET A 95 15.885 1.174 7.270 1.00 0.00 H new ATOM 0 HB2 MET A 95 14.338 3.378 5.872 1.00 0.00 H new ATOM 0 HB3 MET A 95 13.664 2.625 7.304 1.00 0.00 H new ATOM 0 HG2 MET A 95 16.142 3.085 8.274 1.00 0.00 H new ATOM 0 HG3 MET A 95 16.139 4.330 7.040 1.00 0.00 H new ATOM 0 HE1 MET A 95 12.532 5.904 7.993 1.00 0.00 H new ATOM 0 HE2 MET A 95 13.484 5.287 6.622 1.00 0.00 H new ATOM 0 HE3 MET A 95 12.475 4.175 7.576 1.00 0.00 H new ATOM 1473 N VAL A 96 14.021 0.292 4.793 1.00 0.00 N ATOM 1474 CA VAL A 96 13.050 -0.683 4.327 1.00 0.00 C ATOM 1475 C VAL A 96 13.555 -2.092 4.648 1.00 0.00 C ATOM 1476 O VAL A 96 14.673 -2.453 4.283 1.00 0.00 O ATOM 1477 CB VAL A 96 12.771 -0.474 2.837 1.00 0.00 C ATOM 1478 CG1 VAL A 96 14.005 -0.806 1.996 1.00 0.00 C ATOM 1479 CG2 VAL A 96 11.562 -1.295 2.385 1.00 0.00 C ATOM 0 H VAL A 96 14.492 0.812 4.053 1.00 0.00 H new ATOM 0 HA VAL A 96 12.099 -0.552 4.844 1.00 0.00 H new ATOM 0 HB VAL A 96 12.536 0.579 2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 96 13.779 -0.649 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.831 -0.159 2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 96 14.285 -1.847 2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 96 11.386 -1.128 1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.755 -2.354 2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.682 -0.989 2.951 1.00 0.00 H new ATOM 1489 N GLU A 97 12.707 -2.849 5.328 1.00 0.00 N ATOM 1490 CA GLU A 97 13.053 -4.209 5.703 1.00 0.00 C ATOM 1491 C GLU A 97 12.796 -5.163 4.535 1.00 0.00 C ATOM 1492 O GLU A 97 13.683 -5.916 4.136 1.00 0.00 O ATOM 1493 CB GLU A 97 12.281 -4.648 6.949 1.00 0.00 C ATOM 1494 CG GLU A 97 12.646 -6.081 7.344 1.00 0.00 C ATOM 1495 CD GLU A 97 11.462 -6.784 8.012 1.00 0.00 C ATOM 1496 OE1 GLU A 97 11.200 -6.458 9.190 1.00 0.00 O ATOM 1497 OE2 GLU A 97 10.847 -7.631 7.330 1.00 0.00 O ATOM 0 H GLU A 97 11.781 -2.546 5.629 1.00 0.00 H new ATOM 0 HA GLU A 97 14.115 -4.239 5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.502 -3.972 7.775 1.00 0.00 H new ATOM 0 HB3 GLU A 97 11.210 -4.581 6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 97 12.953 -6.639 6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 97 13.497 -6.069 8.024 1.00 0.00 H new ATOM 1504 N GLY A 98 11.577 -5.101 4.019 1.00 0.00 N ATOM 1505 CA GLY A 98 11.192 -5.950 2.904 1.00 0.00 C ATOM 1506 C GLY A 98 10.259 -5.207 1.946 1.00 0.00 C ATOM 1507 O GLY A 98 9.446 -4.389 2.375 1.00 0.00 O ATOM 0 H GLY A 98 10.843 -4.476 4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.082 -6.279 2.368 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.696 -6.846 3.278 1.00 0.00 H new ATOM 1511 N ILE A 99 10.407 -5.517 0.666 1.00 0.00 N ATOM 1512 CA ILE A 99 9.588 -4.889 -0.356 1.00 0.00 C ATOM 1513 C ILE A 99 8.641 -5.931 -0.956 1.00 0.00 C ATOM 1514 O ILE A 99 8.910 -7.129 -0.892 1.00 0.00 O ATOM 1515 CB ILE A 99 10.469 -4.189 -1.393 1.00 0.00 C ATOM 1516 CG1 ILE A 99 11.801 -4.922 -1.566 1.00 0.00 C ATOM 1517 CG2 ILE A 99 10.667 -2.715 -1.038 1.00 0.00 C ATOM 1518 CD1 ILE A 99 12.609 -4.326 -2.720 1.00 0.00 C ATOM 0 H ILE A 99 11.082 -6.195 0.314 1.00 0.00 H new ATOM 0 HA ILE A 99 8.967 -4.107 0.081 1.00 0.00 H new ATOM 0 HB ILE A 99 9.957 -4.222 -2.355 1.00 0.00 H new ATOM 0 HG12 ILE A 99 12.377 -4.859 -0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.616 -5.980 -1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 99 11.297 -2.241 -1.791 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.699 -2.215 -1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.147 -2.637 -0.062 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.551 -4.865 -2.821 1.00 0.00 H new ATOM 0 HD12 ILE A 99 12.040 -4.413 -3.646 1.00 0.00 H new ATOM 0 HD13 ILE A 99 12.813 -3.275 -2.517 1.00 0.00 H new ATOM 1530 N TYR A 100 7.552 -5.435 -1.525 1.00 0.00 N ATOM 1531 CA TYR A 100 6.564 -6.308 -2.135 1.00 0.00 C ATOM 1532 C TYR A 100 5.860 -5.609 -3.300 1.00 0.00 C ATOM 1533 O TYR A 100 5.790 -4.382 -3.342 1.00 0.00 O ATOM 1534 CB TYR A 100 5.536 -6.611 -1.043 1.00 0.00 C ATOM 1535 CG TYR A 100 6.153 -6.915 0.324 1.00 0.00 C ATOM 1536 CD1 TYR A 100 6.624 -5.885 1.113 1.00 0.00 C ATOM 1537 CD2 TYR A 100 6.238 -8.219 0.769 1.00 0.00 C ATOM 1538 CE1 TYR A 100 7.205 -6.170 2.399 1.00 0.00 C ATOM 1539 CE2 TYR A 100 6.819 -8.504 2.055 1.00 0.00 C ATOM 1540 CZ TYR A 100 7.273 -7.466 2.807 1.00 0.00 C ATOM 1541 OH TYR A 100 7.822 -7.736 4.022 1.00 0.00 O ATOM 0 H TYR A 100 7.332 -4.440 -1.576 1.00 0.00 H new ATOM 0 HA TYR A 100 7.038 -7.209 -2.525 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.863 -5.759 -0.945 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.930 -7.462 -1.354 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.557 -4.865 0.765 1.00 0.00 H new ATOM 0 HD2 TYR A 100 5.869 -9.025 0.153 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.578 -5.373 3.025 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.893 -9.520 2.415 1.00 0.00 H new ATOM 0 HH TYR A 100 7.803 -8.703 4.182 1.00 0.00 H new ATOM 1551 N LYS A 101 5.356 -6.421 -4.219 1.00 0.00 N ATOM 1552 CA LYS A 101 4.661 -5.896 -5.381 1.00 0.00 C ATOM 1553 C LYS A 101 3.170 -6.220 -5.267 1.00 0.00 C ATOM 1554 O LYS A 101 2.729 -6.787 -4.269 1.00 0.00 O ATOM 1555 CB LYS A 101 5.305 -6.411 -6.669 1.00 0.00 C ATOM 1556 CG LYS A 101 4.999 -7.895 -6.880 1.00 0.00 C ATOM 1557 CD LYS A 101 6.289 -8.713 -6.975 1.00 0.00 C ATOM 1558 CE LYS A 101 6.536 -9.181 -8.411 1.00 0.00 C ATOM 1559 NZ LYS A 101 7.292 -10.454 -8.417 1.00 0.00 N ATOM 0 H LYS A 101 5.416 -7.439 -4.181 1.00 0.00 H new ATOM 0 HA LYS A 101 4.750 -4.810 -5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.937 -5.836 -7.519 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.384 -6.261 -6.626 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.389 -8.265 -6.056 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.415 -8.024 -7.791 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.132 -8.111 -6.635 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.226 -9.577 -6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.584 -9.314 -8.926 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.091 -8.419 -8.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.782 -10.562 -9.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.990 -10.447 -7.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 6.635 -11.249 -8.281 1.00 0.00 H new ATOM 1573 N TYR A 102 2.435 -5.846 -6.304 1.00 0.00 N ATOM 1574 CA TYR A 102 1.002 -6.090 -6.333 1.00 0.00 C ATOM 1575 C TYR A 102 0.598 -6.830 -7.610 1.00 0.00 C ATOM 1576 O TYR A 102 0.579 -6.244 -8.692 1.00 0.00 O ATOM 1577 CB TYR A 102 0.340 -4.711 -6.325 1.00 0.00 C ATOM 1578 CG TYR A 102 -1.185 -4.754 -6.208 1.00 0.00 C ATOM 1579 CD1 TYR A 102 -1.944 -5.249 -7.249 1.00 0.00 C ATOM 1580 CD2 TYR A 102 -1.802 -4.298 -5.061 1.00 0.00 C ATOM 1581 CE1 TYR A 102 -3.379 -5.290 -7.139 1.00 0.00 C ATOM 1582 CE2 TYR A 102 -3.237 -4.339 -4.950 1.00 0.00 C ATOM 1583 CZ TYR A 102 -3.955 -4.833 -5.995 1.00 0.00 C ATOM 1584 OH TYR A 102 -5.310 -4.871 -5.890 1.00 0.00 O ATOM 0 H TYR A 102 2.804 -5.376 -7.130 1.00 0.00 H new ATOM 0 HA TYR A 102 0.699 -6.704 -5.485 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.742 -4.131 -5.494 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.609 -4.185 -7.241 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.461 -5.606 -8.147 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.208 -3.910 -4.246 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.984 -5.675 -7.947 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.732 -3.986 -4.058 1.00 0.00 H new ATOM 0 HH TYR A 102 -5.581 -4.514 -5.019 1.00 0.00 H new ATOM 1594 N ASN A 103 0.284 -8.106 -7.442 1.00 0.00 N ATOM 1595 CA ASN A 103 -0.119 -8.932 -8.567 1.00 0.00 C ATOM 1596 C ASN A 103 -1.630 -8.804 -8.773 1.00 0.00 C ATOM 1597 O ASN A 103 -2.412 -9.422 -8.052 1.00 0.00 O ATOM 1598 CB ASN A 103 0.201 -10.406 -8.311 1.00 0.00 C ATOM 1599 CG ASN A 103 1.475 -10.827 -9.046 1.00 0.00 C ATOM 1600 OD1 ASN A 103 1.449 -11.267 -10.184 1.00 0.00 O ATOM 1601 ND2 ASN A 103 2.587 -10.667 -8.335 1.00 0.00 N ATOM 0 H ASN A 103 0.301 -8.588 -6.543 1.00 0.00 H new ATOM 0 HA ASN A 103 0.427 -8.593 -9.447 1.00 0.00 H new ATOM 0 HB2 ASN A 103 0.322 -10.575 -7.241 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -0.634 -11.025 -8.639 1.00 0.00 H new ATOM 0 HD21 ASN A 103 3.490 -10.918 -8.737 1.00 0.00 H new ATOM 0 HD22 ASN A 103 2.537 -10.293 -7.387 1.00 0.00 H new ATOM 1608 N SER A 104 -1.994 -7.999 -9.760 1.00 0.00 N ATOM 1609 CA SER A 104 -3.398 -7.783 -10.069 1.00 0.00 C ATOM 1610 C SER A 104 -3.942 -8.960 -10.880 1.00 0.00 C ATOM 1611 O SER A 104 -5.106 -8.959 -11.278 1.00 0.00 O ATOM 1612 CB SER A 104 -3.597 -6.473 -10.835 1.00 0.00 C ATOM 1613 OG SER A 104 -4.855 -5.870 -10.542 1.00 0.00 O ATOM 0 H SER A 104 -1.342 -7.489 -10.356 1.00 0.00 H new ATOM 0 HA SER A 104 -3.948 -7.712 -9.131 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.795 -5.780 -10.582 1.00 0.00 H new ATOM 0 HB3 SER A 104 -3.527 -6.665 -11.906 1.00 0.00 H new ATOM 0 HG SER A 104 -4.944 -5.036 -11.049 1.00 0.00 H new ATOM 1619 N ASP A 105 -3.075 -9.937 -11.101 1.00 0.00 N ATOM 1620 CA ASP A 105 -3.454 -11.118 -11.857 1.00 0.00 C ATOM 1621 C ASP A 105 -3.603 -12.304 -10.902 1.00 0.00 C ATOM 1622 O ASP A 105 -4.314 -13.262 -11.202 1.00 0.00 O ATOM 1623 CB ASP A 105 -2.386 -11.476 -12.892 1.00 0.00 C ATOM 1624 CG ASP A 105 -2.900 -11.629 -14.325 1.00 0.00 C ATOM 1625 OD1 ASP A 105 -4.110 -11.385 -14.524 1.00 0.00 O ATOM 1626 OD2 ASP A 105 -2.071 -11.988 -15.190 1.00 0.00 O ATOM 0 H ASP A 105 -2.110 -9.935 -10.769 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.393 -10.904 -12.367 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -1.616 -10.705 -12.879 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -1.909 -12.409 -12.592 1.00 0.00 H new ATOM 1631 N ARG A 106 -2.921 -12.201 -9.771 1.00 0.00 N ATOM 1632 CA ARG A 106 -2.969 -13.253 -8.770 1.00 0.00 C ATOM 1633 C ARG A 106 -4.009 -12.920 -7.698 1.00 0.00 C ATOM 1634 O ARG A 106 -4.538 -13.815 -7.042 1.00 0.00 O ATOM 1635 CB ARG A 106 -1.604 -13.442 -8.104 1.00 0.00 C ATOM 1636 CG ARG A 106 -0.512 -13.674 -9.150 1.00 0.00 C ATOM 1637 CD ARG A 106 0.354 -14.880 -8.781 1.00 0.00 C ATOM 1638 NE ARG A 106 1.388 -15.097 -9.817 1.00 0.00 N ATOM 1639 CZ ARG A 106 1.176 -15.759 -10.963 1.00 0.00 C ATOM 1640 NH1 ARG A 106 -0.034 -16.271 -11.226 1.00 0.00 N ATOM 1641 NH2 ARG A 106 2.173 -15.907 -11.846 1.00 0.00 N ATOM 0 H ARG A 106 -2.332 -11.405 -9.526 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.246 -14.178 -9.275 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.361 -12.562 -7.508 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.643 -14.290 -7.420 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.968 -13.834 -10.127 1.00 0.00 H new ATOM 0 HG3 ARG A 106 0.113 -12.785 -9.232 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.827 -14.716 -7.813 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.269 -15.769 -8.685 1.00 0.00 H new ATOM 0 HE ARG A 106 2.320 -14.719 -9.649 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.793 -16.157 -10.554 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -0.196 -16.775 -12.098 1.00 0.00 H new ATOM 0 HH21 ARG A 106 3.094 -15.516 -11.646 1.00 0.00 H new ATOM 0 HH22 ARG A 106 2.011 -16.411 -12.718 1.00 0.00 H new ATOM 1655 N LYS A 107 -4.271 -11.629 -7.555 1.00 0.00 N ATOM 1656 CA LYS A 107 -5.239 -11.166 -6.574 1.00 0.00 C ATOM 1657 C LYS A 107 -4.573 -11.101 -5.199 1.00 0.00 C ATOM 1658 O LYS A 107 -5.213 -11.366 -4.182 1.00 0.00 O ATOM 1659 CB LYS A 107 -6.495 -12.039 -6.609 1.00 0.00 C ATOM 1660 CG LYS A 107 -7.742 -11.195 -6.882 1.00 0.00 C ATOM 1661 CD LYS A 107 -9.000 -11.887 -6.354 1.00 0.00 C ATOM 1662 CE LYS A 107 -10.197 -11.621 -7.269 1.00 0.00 C ATOM 1663 NZ LYS A 107 -11.303 -10.999 -6.507 1.00 0.00 N ATOM 0 H LYS A 107 -3.830 -10.889 -8.102 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.573 -10.157 -6.814 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -6.391 -12.801 -7.381 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.606 -12.561 -5.659 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.635 -10.218 -6.410 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.841 -11.022 -7.954 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.825 -12.960 -6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.220 -11.530 -5.348 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -9.898 -10.966 -8.088 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.536 -12.556 -7.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.108 -10.825 -7.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.599 -11.637 -5.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.981 -10.097 -6.101 1.00 0.00 H new ATOM 1677 N ARG A 108 -3.296 -10.747 -5.211 1.00 0.00 N ATOM 1678 CA ARG A 108 -2.537 -10.643 -3.976 1.00 0.00 C ATOM 1679 C ARG A 108 -1.191 -9.964 -4.237 1.00 0.00 C ATOM 1680 O ARG A 108 -0.885 -9.597 -5.371 1.00 0.00 O ATOM 1681 CB ARG A 108 -2.293 -12.023 -3.362 1.00 0.00 C ATOM 1682 CG ARG A 108 -1.466 -12.903 -4.301 1.00 0.00 C ATOM 1683 CD ARG A 108 -2.322 -14.018 -4.904 1.00 0.00 C ATOM 1684 NE ARG A 108 -1.508 -15.241 -5.085 1.00 0.00 N ATOM 1685 CZ ARG A 108 -0.925 -15.910 -4.081 1.00 0.00 C ATOM 1686 NH1 ARG A 108 -1.064 -15.480 -2.819 1.00 0.00 N ATOM 1687 NH2 ARG A 108 -0.204 -17.010 -4.338 1.00 0.00 N ATOM 0 H ARG A 108 -2.768 -10.529 -6.056 1.00 0.00 H new ATOM 0 HA ARG A 108 -3.121 -10.045 -3.277 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.775 -11.914 -2.409 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -3.248 -12.506 -3.152 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -1.043 -12.292 -5.099 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -0.629 -13.338 -3.755 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -3.170 -14.229 -4.253 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.729 -13.697 -5.863 1.00 0.00 H new ATOM 0 HE ARG A 108 -1.383 -15.597 -6.033 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -1.614 -14.643 -2.623 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -0.620 -15.989 -2.055 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -0.099 -17.338 -5.298 1.00 0.00 H new ATOM 0 HH22 ARG A 108 0.240 -17.519 -3.574 1.00 0.00 H new ATOM 1701 N PHE A 109 -0.421 -9.817 -3.168 1.00 0.00 N ATOM 1702 CA PHE A 109 0.885 -9.188 -3.267 1.00 0.00 C ATOM 1703 C PHE A 109 1.996 -10.239 -3.318 1.00 0.00 C ATOM 1704 O PHE A 109 1.754 -11.417 -3.062 1.00 0.00 O ATOM 1705 CB PHE A 109 1.065 -8.332 -2.012 1.00 0.00 C ATOM 1706 CG PHE A 109 0.246 -7.040 -2.018 1.00 0.00 C ATOM 1707 CD1 PHE A 109 -1.090 -7.081 -1.769 1.00 0.00 C ATOM 1708 CD2 PHE A 109 0.854 -5.850 -2.272 1.00 0.00 C ATOM 1709 CE1 PHE A 109 -1.850 -5.881 -1.774 1.00 0.00 C ATOM 1710 CE2 PHE A 109 0.094 -4.651 -2.277 1.00 0.00 C ATOM 1711 CZ PHE A 109 -1.242 -4.692 -2.028 1.00 0.00 C ATOM 0 H PHE A 109 -0.677 -10.123 -2.229 1.00 0.00 H new ATOM 0 HA PHE A 109 0.944 -8.592 -4.177 1.00 0.00 H new ATOM 0 HB2 PHE A 109 0.787 -8.922 -1.139 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.120 -8.081 -1.904 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -1.573 -8.026 -1.567 1.00 0.00 H new ATOM 0 HD2 PHE A 109 1.915 -5.817 -2.470 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -2.911 -5.913 -1.576 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.577 -3.706 -2.479 1.00 0.00 H new ATOM 0 HZ PHE A 109 -1.820 -3.780 -2.032 1.00 0.00 H new ATOM 1721 N THR A 110 3.192 -9.773 -3.648 1.00 0.00 N ATOM 1722 CA THR A 110 4.342 -10.658 -3.735 1.00 0.00 C ATOM 1723 C THR A 110 5.589 -9.968 -3.180 1.00 0.00 C ATOM 1724 O THR A 110 5.598 -8.752 -2.991 1.00 0.00 O ATOM 1725 CB THR A 110 4.489 -11.099 -5.193 1.00 0.00 C ATOM 1726 OG1 THR A 110 3.470 -12.080 -5.364 1.00 0.00 O ATOM 1727 CG2 THR A 110 5.789 -11.866 -5.444 1.00 0.00 C ATOM 0 H THR A 110 3.390 -8.795 -3.858 1.00 0.00 H new ATOM 0 HA THR A 110 4.203 -11.549 -3.123 1.00 0.00 H new ATOM 0 HB THR A 110 4.452 -10.224 -5.842 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.493 -12.418 -6.283 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.844 -12.156 -6.493 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.640 -11.230 -5.198 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.811 -12.759 -4.819 1.00 0.00 H new ATOM 1735 N GLN A 111 6.612 -10.773 -2.934 1.00 0.00 N ATOM 1736 CA GLN A 111 7.862 -10.255 -2.404 1.00 0.00 C ATOM 1737 C GLN A 111 8.844 -9.971 -3.543 1.00 0.00 C ATOM 1738 O GLN A 111 8.831 -10.657 -4.564 1.00 0.00 O ATOM 1739 CB GLN A 111 8.468 -11.222 -1.385 1.00 0.00 C ATOM 1740 CG GLN A 111 9.902 -10.821 -1.035 1.00 0.00 C ATOM 1741 CD GLN A 111 10.239 -11.194 0.410 1.00 0.00 C ATOM 1742 OE1 GLN A 111 10.861 -12.205 0.689 1.00 0.00 O ATOM 1743 NE2 GLN A 111 9.794 -10.322 1.311 1.00 0.00 N ATOM 0 H GLN A 111 6.601 -11.781 -3.092 1.00 0.00 H new ATOM 0 HA GLN A 111 7.655 -9.318 -1.887 1.00 0.00 H new ATOM 0 HB2 GLN A 111 7.859 -11.233 -0.481 1.00 0.00 H new ATOM 0 HB3 GLN A 111 8.458 -12.235 -1.788 1.00 0.00 H new ATOM 0 HG2 GLN A 111 10.597 -11.315 -1.713 1.00 0.00 H new ATOM 0 HG3 GLN A 111 10.028 -9.747 -1.176 1.00 0.00 H new ATOM 0 HE21 GLN A 111 9.279 -9.495 1.009 1.00 0.00 H new ATOM 0 HE22 GLN A 111 9.968 -10.481 2.303 1.00 0.00 H new ATOM 1752 N ILE A 112 9.672 -8.959 -3.328 1.00 0.00 N ATOM 1753 CA ILE A 112 10.659 -8.576 -4.324 1.00 0.00 C ATOM 1754 C ILE A 112 11.985 -9.275 -4.016 1.00 0.00 C ATOM 1755 O ILE A 112 12.362 -9.414 -2.853 1.00 0.00 O ATOM 1756 CB ILE A 112 10.771 -7.053 -4.409 1.00 0.00 C ATOM 1757 CG1 ILE A 112 9.431 -6.386 -4.091 1.00 0.00 C ATOM 1758 CG2 ILE A 112 11.320 -6.619 -5.769 1.00 0.00 C ATOM 1759 CD1 ILE A 112 8.402 -6.675 -5.186 1.00 0.00 C ATOM 0 H ILE A 112 9.680 -8.393 -2.480 1.00 0.00 H new ATOM 0 HA ILE A 112 10.348 -8.905 -5.316 1.00 0.00 H new ATOM 0 HB ILE A 112 11.483 -6.720 -3.654 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.059 -6.748 -3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.571 -5.309 -3.993 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.390 -5.532 -5.803 1.00 0.00 H new ATOM 0 HG22 ILE A 112 12.310 -7.051 -5.916 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.652 -6.965 -6.558 1.00 0.00 H new ATOM 0 HD11 ILE A 112 7.459 -6.190 -4.936 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.767 -6.290 -6.139 1.00 0.00 H new ATOM 0 HD13 ILE A 112 8.247 -7.751 -5.265 1.00 0.00 H new ATOM 1771 N PRO A 113 12.674 -9.706 -5.106 1.00 0.00 N ATOM 1772 CA PRO A 113 13.951 -10.386 -4.963 1.00 0.00 C ATOM 1773 C PRO A 113 15.062 -9.397 -4.608 1.00 0.00 C ATOM 1774 O PRO A 113 16.194 -9.799 -4.341 1.00 0.00 O ATOM 1775 CB PRO A 113 14.177 -11.081 -6.296 1.00 0.00 C ATOM 1776 CG PRO A 113 13.256 -10.390 -7.288 1.00 0.00 C ATOM 1777 CD PRO A 113 12.259 -9.558 -6.498 1.00 0.00 C ATOM 0 HA PRO A 113 13.955 -11.108 -4.147 1.00 0.00 H new ATOM 0 HB2 PRO A 113 15.218 -10.999 -6.607 1.00 0.00 H new ATOM 0 HB3 PRO A 113 13.948 -12.144 -6.226 1.00 0.00 H new ATOM 0 HG2 PRO A 113 13.830 -9.757 -7.965 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.737 -11.125 -7.903 1.00 0.00 H new ATOM 0 HD2 PRO A 113 12.281 -8.513 -6.809 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.240 -9.914 -6.647 1.00 0.00 H new ATOM 1785 N ALA A 114 14.701 -8.122 -4.617 1.00 0.00 N ATOM 1786 CA ALA A 114 15.655 -7.072 -4.299 1.00 0.00 C ATOM 1787 C ALA A 114 15.252 -6.405 -2.982 1.00 0.00 C ATOM 1788 O ALA A 114 14.087 -6.450 -2.590 1.00 0.00 O ATOM 1789 CB ALA A 114 15.724 -6.077 -5.459 1.00 0.00 C ATOM 0 H ALA A 114 13.762 -7.792 -4.839 1.00 0.00 H new ATOM 0 HA ALA A 114 16.654 -7.488 -4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.439 -5.290 -5.221 1.00 0.00 H new ATOM 0 HB2 ALA A 114 16.042 -6.595 -6.364 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.740 -5.637 -5.620 1.00 0.00 H new ATOM 1795 N LYS A 115 16.239 -5.802 -2.335 1.00 0.00 N ATOM 1796 CA LYS A 115 16.002 -5.127 -1.071 1.00 0.00 C ATOM 1797 C LYS A 115 15.893 -3.621 -1.314 1.00 0.00 C ATOM 1798 O LYS A 115 15.786 -2.842 -0.368 1.00 0.00 O ATOM 1799 CB LYS A 115 17.076 -5.509 -0.050 1.00 0.00 C ATOM 1800 CG LYS A 115 16.477 -6.320 1.100 1.00 0.00 C ATOM 1801 CD LYS A 115 16.292 -7.785 0.700 1.00 0.00 C ATOM 1802 CE LYS A 115 14.928 -8.310 1.154 1.00 0.00 C ATOM 1803 NZ LYS A 115 15.090 -9.517 1.993 1.00 0.00 N ATOM 0 H LYS A 115 17.204 -5.767 -2.663 1.00 0.00 H new ATOM 0 HA LYS A 115 15.055 -5.450 -0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.858 -6.089 -0.540 1.00 0.00 H new ATOM 0 HB3 LYS A 115 17.546 -4.607 0.343 1.00 0.00 H new ATOM 0 HG2 LYS A 115 17.128 -6.257 1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.516 -5.894 1.388 1.00 0.00 H new ATOM 0 HD2 LYS A 115 16.382 -7.884 -0.382 1.00 0.00 H new ATOM 0 HD3 LYS A 115 17.084 -8.389 1.143 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.403 -7.537 1.716 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.314 -8.544 0.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.155 -9.860 2.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.572 -10.258 1.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.658 -9.283 2.832 1.00 0.00 H new ATOM 1817 N THR A 116 15.923 -3.256 -2.588 1.00 0.00 N ATOM 1818 CA THR A 116 15.829 -1.857 -2.967 1.00 0.00 C ATOM 1819 C THR A 116 14.518 -1.593 -3.712 1.00 0.00 C ATOM 1820 O THR A 116 13.865 -2.527 -4.174 1.00 0.00 O ATOM 1821 CB THR A 116 17.073 -1.503 -3.784 1.00 0.00 C ATOM 1822 OG1 THR A 116 18.153 -1.701 -2.875 1.00 0.00 O ATOM 1823 CG2 THR A 116 17.144 -0.014 -4.129 1.00 0.00 C ATOM 0 H THR A 116 16.011 -3.905 -3.370 1.00 0.00 H new ATOM 0 HA THR A 116 15.804 -1.211 -2.089 1.00 0.00 H new ATOM 0 HB THR A 116 17.082 -2.089 -4.703 1.00 0.00 H new ATOM 0 HG1 THR A 116 19.000 -1.496 -3.323 1.00 0.00 H new ATOM 0 HG21 THR A 116 18.046 0.183 -4.709 1.00 0.00 H new ATOM 0 HG22 THR A 116 16.268 0.266 -4.714 1.00 0.00 H new ATOM 0 HG23 THR A 116 17.169 0.572 -3.210 1.00 0.00 H new ATOM 1831 N MET A 117 14.174 -0.317 -3.805 1.00 0.00 N ATOM 1832 CA MET A 117 12.953 0.081 -4.486 1.00 0.00 C ATOM 1833 C MET A 117 13.001 -0.304 -5.966 1.00 0.00 C ATOM 1834 O MET A 117 14.070 -0.588 -6.503 1.00 0.00 O ATOM 1835 CB MET A 117 12.767 1.594 -4.357 1.00 0.00 C ATOM 1836 CG MET A 117 11.834 1.934 -3.192 1.00 0.00 C ATOM 1837 SD MET A 117 12.390 1.115 -1.706 1.00 0.00 S ATOM 1838 CE MET A 117 10.851 0.399 -1.154 1.00 0.00 C ATOM 0 H MET A 117 14.719 0.455 -3.420 1.00 0.00 H new ATOM 0 HA MET A 117 12.114 -0.438 -4.022 1.00 0.00 H new ATOM 0 HB2 MET A 117 13.735 2.071 -4.204 1.00 0.00 H new ATOM 0 HB3 MET A 117 12.357 1.994 -5.284 1.00 0.00 H new ATOM 0 HG2 MET A 117 11.812 3.013 -3.036 1.00 0.00 H new ATOM 0 HG3 MET A 117 10.816 1.625 -3.428 1.00 0.00 H new ATOM 0 HE1 MET A 117 11.047 -0.308 -0.348 1.00 0.00 H new ATOM 0 HE2 MET A 117 10.191 1.188 -0.793 1.00 0.00 H new ATOM 0 HE3 MET A 117 10.373 -0.121 -1.984 1.00 0.00 H new ATOM 1848 N SER A 118 11.828 -0.301 -6.583 1.00 0.00 N ATOM 1849 CA SER A 118 11.722 -0.645 -7.990 1.00 0.00 C ATOM 1850 C SER A 118 10.261 -0.574 -8.438 1.00 0.00 C ATOM 1851 O SER A 118 9.356 -0.894 -7.669 1.00 0.00 O ATOM 1852 CB SER A 118 12.293 -2.039 -8.261 1.00 0.00 C ATOM 1853 OG SER A 118 12.118 -2.434 -9.619 1.00 0.00 O ATOM 0 H SER A 118 10.943 -0.066 -6.134 1.00 0.00 H new ATOM 0 HA SER A 118 12.306 0.075 -8.563 1.00 0.00 H new ATOM 0 HB2 SER A 118 13.355 -2.050 -8.014 1.00 0.00 H new ATOM 0 HB3 SER A 118 11.807 -2.763 -7.607 1.00 0.00 H new ATOM 0 HG SER A 118 12.497 -3.328 -9.751 1.00 0.00 H new ATOM 1859 N MET A 119 10.076 -0.154 -9.681 1.00 0.00 N ATOM 1860 CA MET A 119 8.740 -0.037 -10.240 1.00 0.00 C ATOM 1861 C MET A 119 7.917 -1.297 -9.963 1.00 0.00 C ATOM 1862 O MET A 119 6.688 -1.253 -9.966 1.00 0.00 O ATOM 1863 CB MET A 119 8.837 0.188 -11.751 1.00 0.00 C ATOM 1864 CG MET A 119 7.537 0.780 -12.301 1.00 0.00 C ATOM 1865 SD MET A 119 7.725 2.538 -12.549 1.00 0.00 S ATOM 1866 CE MET A 119 7.662 3.099 -10.856 1.00 0.00 C ATOM 0 H MET A 119 10.829 0.109 -10.317 1.00 0.00 H new ATOM 0 HA MET A 119 8.242 0.810 -9.768 1.00 0.00 H new ATOM 0 HB2 MET A 119 9.668 0.859 -11.970 1.00 0.00 H new ATOM 0 HB3 MET A 119 9.050 -0.757 -12.250 1.00 0.00 H new ATOM 0 HG2 MET A 119 7.278 0.297 -13.243 1.00 0.00 H new ATOM 0 HG3 MET A 119 6.718 0.587 -11.608 1.00 0.00 H new ATOM 0 HE1 MET A 119 7.480 4.173 -10.835 1.00 0.00 H new ATOM 0 HE2 MET A 119 6.857 2.584 -10.332 1.00 0.00 H new ATOM 0 HE3 MET A 119 8.611 2.883 -10.365 1.00 0.00 H new ATOM 1876 N SER A 120 8.629 -2.390 -9.730 1.00 0.00 N ATOM 1877 CA SER A 120 7.980 -3.660 -9.452 1.00 0.00 C ATOM 1878 C SER A 120 7.718 -3.796 -7.950 1.00 0.00 C ATOM 1879 O SER A 120 7.917 -4.865 -7.376 1.00 0.00 O ATOM 1880 CB SER A 120 8.826 -4.832 -9.951 1.00 0.00 C ATOM 1881 OG SER A 120 8.588 -5.115 -11.328 1.00 0.00 O ATOM 0 H SER A 120 9.648 -2.422 -9.728 1.00 0.00 H new ATOM 0 HA SER A 120 7.029 -3.681 -9.984 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.882 -4.605 -9.805 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.605 -5.718 -9.355 1.00 0.00 H new ATOM 0 HG SER A 120 9.148 -5.868 -11.609 1.00 0.00 H new ATOM 1887 N VAL A 121 7.276 -2.697 -7.357 1.00 0.00 N ATOM 1888 CA VAL A 121 6.985 -2.680 -5.934 1.00 0.00 C ATOM 1889 C VAL A 121 5.665 -1.944 -5.696 1.00 0.00 C ATOM 1890 O VAL A 121 5.377 -0.949 -6.360 1.00 0.00 O ATOM 1891 CB VAL A 121 8.158 -2.066 -5.167 1.00 0.00 C ATOM 1892 CG1 VAL A 121 7.761 -1.740 -3.726 1.00 0.00 C ATOM 1893 CG2 VAL A 121 9.380 -2.986 -5.205 1.00 0.00 C ATOM 0 H VAL A 121 7.112 -1.812 -7.836 1.00 0.00 H new ATOM 0 HA VAL A 121 6.863 -3.696 -5.557 1.00 0.00 H new ATOM 0 HB VAL A 121 8.427 -1.131 -5.659 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.613 -1.305 -3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.935 -1.029 -3.728 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.452 -2.654 -3.218 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.199 -2.526 -4.653 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.128 -3.944 -4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.684 -3.144 -6.240 1.00 0.00 H new ATOM 1903 N ASP A 122 4.899 -2.461 -4.747 1.00 0.00 N ATOM 1904 CA ASP A 122 3.616 -1.865 -4.414 1.00 0.00 C ATOM 1905 C ASP A 122 3.329 -2.083 -2.927 1.00 0.00 C ATOM 1906 O ASP A 122 2.171 -2.098 -2.510 1.00 0.00 O ATOM 1907 CB ASP A 122 2.484 -2.512 -5.214 1.00 0.00 C ATOM 1908 CG ASP A 122 2.098 -1.777 -6.499 1.00 0.00 C ATOM 1909 OD1 ASP A 122 3.015 -1.544 -7.316 1.00 0.00 O ATOM 1910 OD2 ASP A 122 0.896 -1.464 -6.635 1.00 0.00 O ATOM 0 H ASP A 122 5.142 -3.286 -4.198 1.00 0.00 H new ATOM 0 HA ASP A 122 3.665 -0.803 -4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.776 -3.531 -5.470 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.603 -2.584 -4.576 1.00 0.00 H new ATOM 1915 N ALA A 123 4.402 -2.247 -2.167 1.00 0.00 N ATOM 1916 CA ALA A 123 4.279 -2.464 -0.736 1.00 0.00 C ATOM 1917 C ALA A 123 5.675 -2.605 -0.124 1.00 0.00 C ATOM 1918 O ALA A 123 6.555 -3.227 -0.716 1.00 0.00 O ATOM 1919 CB ALA A 123 3.403 -3.692 -0.478 1.00 0.00 C ATOM 0 H ALA A 123 5.360 -2.234 -2.516 1.00 0.00 H new ATOM 0 HA ALA A 123 3.794 -1.612 -0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.311 -3.854 0.596 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.414 -3.530 -0.906 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.859 -4.568 -0.940 1.00 0.00 H new ATOM 1925 N PHE A 124 5.832 -2.017 1.052 1.00 0.00 N ATOM 1926 CA PHE A 124 7.106 -2.069 1.750 1.00 0.00 C ATOM 1927 C PHE A 124 6.913 -1.881 3.257 1.00 0.00 C ATOM 1928 O PHE A 124 5.844 -1.468 3.703 1.00 0.00 O ATOM 1929 CB PHE A 124 7.959 -0.920 1.210 1.00 0.00 C ATOM 1930 CG PHE A 124 7.512 0.464 1.685 1.00 0.00 C ATOM 1931 CD1 PHE A 124 6.260 0.910 1.398 1.00 0.00 C ATOM 1932 CD2 PHE A 124 8.367 1.249 2.394 1.00 0.00 C ATOM 1933 CE1 PHE A 124 5.845 2.194 1.839 1.00 0.00 C ATOM 1934 CE2 PHE A 124 7.952 2.534 2.835 1.00 0.00 C ATOM 1935 CZ PHE A 124 6.700 2.979 2.548 1.00 0.00 C ATOM 0 H PHE A 124 5.099 -1.502 1.540 1.00 0.00 H new ATOM 0 HA PHE A 124 7.580 -3.037 1.589 1.00 0.00 H new ATOM 0 HB2 PHE A 124 8.995 -1.078 1.509 1.00 0.00 H new ATOM 0 HB3 PHE A 124 7.935 -0.944 0.121 1.00 0.00 H new ATOM 0 HD1 PHE A 124 5.581 0.287 0.834 1.00 0.00 H new ATOM 0 HD2 PHE A 124 9.362 0.895 2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 124 4.850 2.548 1.611 1.00 0.00 H new ATOM 0 HE2 PHE A 124 8.631 3.157 3.398 1.00 0.00 H new ATOM 0 HZ PHE A 124 6.384 3.956 2.883 1.00 0.00 H new ATOM 1945 N THR A 125 7.966 -2.193 3.999 1.00 0.00 N ATOM 1946 CA THR A 125 7.926 -2.064 5.445 1.00 0.00 C ATOM 1947 C THR A 125 9.292 -1.629 5.979 1.00 0.00 C ATOM 1948 O THR A 125 10.314 -2.221 5.636 1.00 0.00 O ATOM 1949 CB THR A 125 7.443 -3.395 6.026 1.00 0.00 C ATOM 1950 OG1 THR A 125 8.072 -4.379 5.209 1.00 0.00 O ATOM 1951 CG2 THR A 125 5.947 -3.623 5.799 1.00 0.00 C ATOM 0 H THR A 125 8.851 -2.535 3.625 1.00 0.00 H new ATOM 0 HA THR A 125 7.228 -1.286 5.753 1.00 0.00 H new ATOM 0 HB THR A 125 7.657 -3.424 7.094 1.00 0.00 H new ATOM 0 HG1 THR A 125 7.814 -5.273 5.517 1.00 0.00 H new ATOM 0 HG21 THR A 125 5.655 -4.581 6.230 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.381 -2.823 6.276 1.00 0.00 H new ATOM 0 HG23 THR A 125 5.738 -3.628 4.729 1.00 0.00 H new ATOM 1959 N ILE A 126 9.266 -0.598 6.811 1.00 0.00 N ATOM 1960 CA ILE A 126 10.489 -0.076 7.396 1.00 0.00 C ATOM 1961 C ILE A 126 10.881 -0.936 8.599 1.00 0.00 C ATOM 1962 O ILE A 126 10.044 -1.638 9.163 1.00 0.00 O ATOM 1963 CB ILE A 126 10.334 1.410 7.726 1.00 0.00 C ATOM 1964 CG1 ILE A 126 9.137 1.644 8.650 1.00 0.00 C ATOM 1965 CG2 ILE A 126 10.247 2.249 6.450 1.00 0.00 C ATOM 1966 CD1 ILE A 126 9.225 3.014 9.325 1.00 0.00 C ATOM 0 H ILE A 126 8.416 -0.110 7.094 1.00 0.00 H new ATOM 0 HA ILE A 126 11.309 -0.135 6.680 1.00 0.00 H new ATOM 0 HB ILE A 126 11.224 1.735 8.264 1.00 0.00 H new ATOM 0 HG12 ILE A 126 8.212 1.576 8.077 1.00 0.00 H new ATOM 0 HG13 ILE A 126 9.101 0.862 9.409 1.00 0.00 H new ATOM 0 HG21 ILE A 126 10.137 3.301 6.713 1.00 0.00 H new ATOM 0 HG22 ILE A 126 11.156 2.115 5.863 1.00 0.00 H new ATOM 0 HG23 ILE A 126 9.386 1.930 5.863 1.00 0.00 H new ATOM 0 HD11 ILE A 126 8.362 3.155 9.976 1.00 0.00 H new ATOM 0 HD12 ILE A 126 10.139 3.070 9.916 1.00 0.00 H new ATOM 0 HD13 ILE A 126 9.237 3.794 8.564 1.00 0.00 H new ATOM 1978 N GLN A 127 12.155 -0.853 8.955 1.00 0.00 N ATOM 1979 CA GLN A 127 12.668 -1.616 10.081 1.00 0.00 C ATOM 1980 C GLN A 127 11.703 -1.529 11.265 1.00 0.00 C ATOM 1981 O GLN A 127 10.877 -0.619 11.331 1.00 0.00 O ATOM 1982 CB GLN A 127 14.065 -1.135 10.476 1.00 0.00 C ATOM 1983 CG GLN A 127 15.139 -2.108 9.983 1.00 0.00 C ATOM 1984 CD GLN A 127 16.193 -2.354 11.065 1.00 0.00 C ATOM 1985 OE1 GLN A 127 17.347 -1.976 10.941 1.00 0.00 O ATOM 1986 NE2 GLN A 127 15.735 -3.009 12.128 1.00 0.00 N ATOM 0 H GLN A 127 12.847 -0.270 8.484 1.00 0.00 H new ATOM 0 HA GLN A 127 12.750 -2.661 9.781 1.00 0.00 H new ATOM 0 HB2 GLN A 127 14.245 -0.145 10.056 1.00 0.00 H new ATOM 0 HB3 GLN A 127 14.127 -1.038 11.560 1.00 0.00 H new ATOM 0 HG2 GLN A 127 14.676 -3.053 9.699 1.00 0.00 H new ATOM 0 HG3 GLN A 127 15.617 -1.706 9.089 1.00 0.00 H new ATOM 0 HE21 GLN A 127 14.757 -3.297 12.168 1.00 0.00 H new ATOM 0 HE22 GLN A 127 16.362 -3.224 12.904 1.00 0.00 H new ATOM 1995 N GLY A 128 11.839 -2.486 12.170 1.00 0.00 N ATOM 1996 CA GLY A 128 10.989 -2.529 13.348 1.00 0.00 C ATOM 1997 C GLY A 128 11.446 -1.508 14.391 1.00 0.00 C ATOM 1998 O GLY A 128 10.629 -0.779 14.952 1.00 0.00 O ATOM 0 H GLY A 128 12.525 -3.238 12.112 1.00 0.00 H new ATOM 0 HA2 GLY A 128 9.957 -2.326 13.063 1.00 0.00 H new ATOM 0 HA3 GLY A 128 11.010 -3.530 13.780 1.00 0.00 H new ATOM 2002 N HIS A 129 12.751 -1.487 14.621 1.00 0.00 N ATOM 2003 CA HIS A 129 13.327 -0.567 15.587 1.00 0.00 C ATOM 2004 C HIS A 129 12.769 0.838 15.352 1.00 0.00 C ATOM 2005 O HIS A 129 12.488 1.565 16.304 1.00 0.00 O ATOM 2006 CB HIS A 129 14.855 -0.615 15.538 1.00 0.00 C ATOM 2007 CG HIS A 129 15.460 0.209 14.427 1.00 0.00 C ATOM 2008 ND1 HIS A 129 16.199 -0.347 13.397 1.00 0.00 N ATOM 2009 CD2 HIS A 129 15.427 1.553 14.194 1.00 0.00 C ATOM 2010 CE1 HIS A 129 16.589 0.627 12.588 1.00 0.00 C ATOM 2011 NE2 HIS A 129 16.110 1.804 13.084 1.00 0.00 N ATOM 0 H HIS A 129 13.426 -2.093 14.155 1.00 0.00 H new ATOM 0 HA HIS A 129 13.045 -0.868 16.596 1.00 0.00 H new ATOM 0 HB2 HIS A 129 15.250 -0.266 16.492 1.00 0.00 H new ATOM 0 HB3 HIS A 129 15.172 -1.651 15.422 1.00 0.00 H new ATOM 0 HD2 HIS A 129 14.929 2.288 14.809 1.00 0.00 H new ATOM 0 HE1 HIS A 129 17.182 0.510 11.693 1.00 0.00 H new ATOM 0 HE2 HIS A 129 16.253 2.725 12.670 1.00 0.00 H new ATOM 2019 N LEU A 130 12.626 1.178 14.080 1.00 0.00 N ATOM 2020 CA LEU A 130 12.107 2.484 13.709 1.00 0.00 C ATOM 2021 C LEU A 130 10.770 2.717 14.416 1.00 0.00 C ATOM 2022 O LEU A 130 10.603 3.709 15.123 1.00 0.00 O ATOM 2023 CB LEU A 130 12.028 2.616 12.186 1.00 0.00 C ATOM 2024 CG LEU A 130 13.367 2.636 11.445 1.00 0.00 C ATOM 2025 CD1 LEU A 130 13.176 2.311 9.962 1.00 0.00 C ATOM 2026 CD2 LEU A 130 14.088 3.969 11.651 1.00 0.00 C ATOM 0 H LEU A 130 12.860 0.573 13.293 1.00 0.00 H new ATOM 0 HA LEU A 130 12.785 3.271 14.040 1.00 0.00 H new ATOM 0 HB2 LEU A 130 11.434 1.788 11.800 1.00 0.00 H new ATOM 0 HB3 LEU A 130 11.490 3.533 11.948 1.00 0.00 H new ATOM 0 HG LEU A 130 14.003 1.858 11.867 1.00 0.00 H new ATOM 0 HD11 LEU A 130 14.142 2.332 9.458 1.00 0.00 H new ATOM 0 HD12 LEU A 130 12.735 1.319 9.861 1.00 0.00 H new ATOM 0 HD13 LEU A 130 12.515 3.050 9.510 1.00 0.00 H new ATOM 0 HD21 LEU A 130 15.036 3.956 11.114 1.00 0.00 H new ATOM 0 HD22 LEU A 130 13.467 4.781 11.272 1.00 0.00 H new ATOM 0 HD23 LEU A 130 14.275 4.121 12.714 1.00 0.00 H new ATOM 2038 N TRP A 131 9.853 1.785 14.201 1.00 0.00 N ATOM 2039 CA TRP A 131 8.537 1.876 14.809 1.00 0.00 C ATOM 2040 C TRP A 131 8.724 2.109 16.309 1.00 0.00 C ATOM 2041 O TRP A 131 8.294 3.132 16.841 1.00 0.00 O ATOM 2042 CB TRP A 131 7.701 0.633 14.497 1.00 0.00 C ATOM 2043 CG TRP A 131 7.232 0.548 13.043 1.00 0.00 C ATOM 2044 CD1 TRP A 131 7.541 -0.383 12.130 1.00 0.00 C ATOM 2045 CD2 TRP A 131 6.351 1.471 12.368 1.00 0.00 C ATOM 2046 NE1 TRP A 131 6.927 -0.128 10.920 1.00 0.00 N ATOM 2047 CE2 TRP A 131 6.180 1.034 11.070 1.00 0.00 C ATOM 2048 CE3 TRP A 131 5.720 2.635 12.839 1.00 0.00 C ATOM 2049 CZ2 TRP A 131 5.380 1.703 10.136 1.00 0.00 C ATOM 2050 CZ3 TRP A 131 4.924 3.292 11.893 1.00 0.00 C ATOM 2051 CH2 TRP A 131 4.741 2.866 10.583 1.00 0.00 C ATOM 0 H TRP A 131 9.996 0.963 13.614 1.00 0.00 H new ATOM 0 HA TRP A 131 7.978 2.714 14.393 1.00 0.00 H new ATOM 0 HB2 TRP A 131 8.288 -0.255 14.731 1.00 0.00 H new ATOM 0 HB3 TRP A 131 6.829 0.621 15.151 1.00 0.00 H new ATOM 0 HD1 TRP A 131 8.189 -1.227 12.317 1.00 0.00 H new ATOM 0 HE1 TRP A 131 7.007 -0.689 10.072 1.00 0.00 H new ATOM 0 HE3 TRP A 131 5.840 2.994 13.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 5.262 1.342 9.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 4.416 4.193 12.203 1.00 0.00 H new ATOM 0 HH2 TRP A 131 4.109 3.429 9.913 1.00 0.00 H new