USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 725 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 ASN : amide:sc= -2.25 K(o=-2.2,f=-0.61) USER MOD Set 1.2: A 84 SER OG : rot -24:sc= 0.00142 USER MOD Set 2.1: A 24 ASN : amide:sc= -0.972 K(o=-2.3,f=-1.2) USER MOD Set 2.2: A 41 MET CE :methyl -128:sc= -1.29 (180deg=-0.225) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -157:sc= -0.494! USER MOD Single : A 30 ASN : amide:sc= -0.0913 K(o=-0.091,f=-2!) USER MOD Single : A 32 SER OG : rot -36:sc= 0.00335 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 172:sc= -1.83! (180deg=-2.06!) USER MOD Single : A 55 TYR OH : rot 150:sc= -0.236 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -10.9! C(o=-11!,f=-7.4!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 63 SER OG : rot 180:sc= -0.153 USER MOD Single : A 67 SER OG : rot 16:sc= 1.03 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -2.76! C(o=-2.8!,f=-3.7!) USER MOD Single : A 77 ASN : amide:sc= -1.42 K(o=-1.4,f=0.2) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.0758 K(o=-0.076,f=-1.6!) USER MOD Single : A 88 HIS : no HD1:sc= -2.11! C(o=-2.1!,f=-2!) USER MOD Single : A 89 ASN : amide:sc= -1.02 K(o=-1,f=0.21!) USER MOD Single : A 91 THR OG1 : rot 35:sc= 0.148 USER MOD Single : A 92 CYS SG : rot 50:sc= 0.527 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 177:sc= -0.93 USER MOD Single : A 108 SER OG : rot 150:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.012) USER MOD ----------------------------------------------------------------- ATOM 199 N ALA A 17 -14.117 6.630 10.547 1.00 0.00 N ATOM 200 CA ALA A 17 -12.994 6.013 9.853 1.00 0.00 C ATOM 201 C ALA A 17 -11.774 6.928 9.861 1.00 0.00 C ATOM 202 O ALA A 17 -11.884 8.147 9.996 1.00 0.00 O ATOM 203 CB ALA A 17 -13.383 5.662 8.425 1.00 0.00 C ATOM 0 HA ALA A 17 -12.732 5.096 10.382 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.534 5.202 7.919 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.220 4.964 8.437 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -13.674 6.568 7.894 1.00 0.00 H new ATOM 209 N PRO A 18 -10.583 6.330 9.714 1.00 0.00 N ATOM 210 CA PRO A 18 -9.320 7.073 9.701 1.00 0.00 C ATOM 211 C PRO A 18 -9.159 7.921 8.444 1.00 0.00 C ATOM 212 O PRO A 18 -8.609 7.465 7.442 1.00 0.00 O ATOM 213 CB PRO A 18 -8.259 5.971 9.741 1.00 0.00 C ATOM 214 CG PRO A 18 -8.930 4.777 9.155 1.00 0.00 C ATOM 215 CD PRO A 18 -10.378 4.881 9.548 1.00 0.00 C ATOM 0 HA PRO A 18 -9.254 7.778 10.530 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.376 6.251 9.166 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.927 5.778 10.761 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.820 4.761 8.071 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.488 3.856 9.534 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.033 4.468 8.781 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.584 4.338 10.470 1.00 0.00 H new ATOM 223 N SER A 19 -9.642 9.158 8.504 1.00 0.00 N ATOM 224 CA SER A 19 -9.554 10.069 7.369 1.00 0.00 C ATOM 225 C SER A 19 -8.162 10.687 7.274 1.00 0.00 C ATOM 226 O SER A 19 -8.017 11.884 7.027 1.00 0.00 O ATOM 227 CB SER A 19 -10.607 11.173 7.491 1.00 0.00 C ATOM 228 OG SER A 19 -11.033 11.615 6.214 1.00 0.00 O ATOM 0 H SER A 19 -10.098 9.552 9.327 1.00 0.00 H new ATOM 0 HA SER A 19 -9.741 9.497 6.460 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.463 10.803 8.055 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.195 12.012 8.051 1.00 0.00 H new ATOM 0 HG SER A 19 -11.707 12.319 6.319 1.00 0.00 H new ATOM 234 N VAL A 20 -7.140 9.860 7.472 1.00 0.00 N ATOM 235 CA VAL A 20 -5.759 10.323 7.407 1.00 0.00 C ATOM 236 C VAL A 20 -4.832 9.218 6.915 1.00 0.00 C ATOM 237 O VAL A 20 -5.044 8.041 7.203 1.00 0.00 O ATOM 238 CB VAL A 20 -5.268 10.816 8.782 1.00 0.00 C ATOM 239 CG1 VAL A 20 -6.080 12.018 9.239 1.00 0.00 C ATOM 240 CG2 VAL A 20 -5.338 9.693 9.806 1.00 0.00 C ATOM 0 H VAL A 20 -7.243 8.866 7.679 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.736 11.154 6.701 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.227 11.126 8.688 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.719 12.352 10.212 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.973 12.826 8.515 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.131 11.739 9.318 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.988 10.058 10.771 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.368 9.350 9.900 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.708 8.865 9.481 1.00 0.00 H new ATOM 250 N ALA A 21 -3.802 9.606 6.170 1.00 0.00 N ATOM 251 CA ALA A 21 -2.840 8.648 5.638 1.00 0.00 C ATOM 252 C ALA A 21 -1.555 8.647 6.461 1.00 0.00 C ATOM 253 O ALA A 21 -1.280 9.570 7.228 1.00 0.00 O ATOM 254 CB ALA A 21 -2.535 8.960 4.181 1.00 0.00 C ATOM 0 H ALA A 21 -3.612 10.577 5.921 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.282 7.654 5.700 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.815 8.237 3.797 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.453 8.903 3.597 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.117 9.964 4.104 1.00 0.00 H new ATOM 260 N PRO A 22 -0.750 7.587 6.300 1.00 0.00 N ATOM 261 CA PRO A 22 0.519 7.440 7.019 1.00 0.00 C ATOM 262 C PRO A 22 1.572 8.436 6.546 1.00 0.00 C ATOM 263 O PRO A 22 1.473 8.986 5.449 1.00 0.00 O ATOM 264 CB PRO A 22 0.950 6.009 6.690 1.00 0.00 C ATOM 265 CG PRO A 22 0.291 5.705 5.389 1.00 0.00 C ATOM 266 CD PRO A 22 -1.015 6.450 5.402 1.00 0.00 C ATOM 0 HA PRO A 22 0.407 7.631 8.086 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.034 5.930 6.613 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.634 5.312 7.466 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.913 6.023 4.553 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.128 4.633 5.275 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.297 6.784 4.403 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.829 5.827 5.772 1.00 0.00 H new ATOM 274 N LEU A 23 2.581 8.664 7.380 1.00 0.00 N ATOM 275 CA LEU A 23 3.654 9.594 7.047 1.00 0.00 C ATOM 276 C LEU A 23 4.967 8.851 6.818 1.00 0.00 C ATOM 277 O LEU A 23 5.017 7.624 6.887 1.00 0.00 O ATOM 278 CB LEU A 23 3.827 10.625 8.163 1.00 0.00 C ATOM 279 CG LEU A 23 2.566 10.976 8.954 1.00 0.00 C ATOM 280 CD1 LEU A 23 2.157 9.816 9.849 1.00 0.00 C ATOM 281 CD2 LEU A 23 2.786 12.236 9.778 1.00 0.00 C ATOM 0 H LEU A 23 2.678 8.217 8.292 1.00 0.00 H new ATOM 0 HA LEU A 23 3.383 10.108 6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.578 10.253 8.861 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.224 11.541 7.726 1.00 0.00 H new ATOM 0 HG LEU A 23 1.758 11.165 8.247 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.258 10.084 10.404 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.957 8.937 9.236 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.963 9.595 10.549 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.878 12.470 10.334 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.608 12.075 10.476 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.030 13.066 9.115 1.00 0.00 H new ATOM 293 N ASN A 24 6.027 9.605 6.547 1.00 0.00 N ATOM 294 CA ASN A 24 7.341 9.018 6.309 1.00 0.00 C ATOM 295 C ASN A 24 7.269 7.940 5.232 1.00 0.00 C ATOM 296 O ASN A 24 8.072 7.007 5.217 1.00 0.00 O ATOM 297 CB ASN A 24 7.900 8.425 7.604 1.00 0.00 C ATOM 298 CG ASN A 24 8.729 9.423 8.387 1.00 0.00 C ATOM 299 OD1 ASN A 24 9.822 9.106 8.857 1.00 0.00 O ATOM 300 ND2 ASN A 24 8.212 10.638 8.531 1.00 0.00 N ATOM 0 H ASN A 24 6.002 10.623 6.487 1.00 0.00 H new ATOM 0 HA ASN A 24 8.007 9.808 5.962 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.076 8.075 8.225 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.512 7.555 7.367 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.725 11.352 9.048 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.302 10.857 8.124 1.00 0.00 H new ATOM 307 N VAL A 25 6.300 8.075 4.332 1.00 0.00 N ATOM 308 CA VAL A 25 6.124 7.113 3.249 1.00 0.00 C ATOM 309 C VAL A 25 7.290 7.168 2.269 1.00 0.00 C ATOM 310 O VAL A 25 7.454 8.144 1.535 1.00 0.00 O ATOM 311 CB VAL A 25 4.811 7.366 2.484 1.00 0.00 C ATOM 312 CG1 VAL A 25 4.733 6.478 1.251 1.00 0.00 C ATOM 313 CG2 VAL A 25 3.612 7.138 3.392 1.00 0.00 C ATOM 0 H VAL A 25 5.625 8.840 4.331 1.00 0.00 H new ATOM 0 HA VAL A 25 6.086 6.124 3.706 1.00 0.00 H new ATOM 0 HB VAL A 25 4.796 8.405 2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.799 6.670 0.723 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.574 6.695 0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.770 5.431 1.553 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.693 7.321 2.835 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.619 6.109 3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.664 7.820 4.241 1.00 0.00 H new ATOM 323 N THR A 26 8.100 6.114 2.262 1.00 0.00 N ATOM 324 CA THR A 26 9.252 6.041 1.372 1.00 0.00 C ATOM 325 C THR A 26 9.256 4.737 0.583 1.00 0.00 C ATOM 326 O THR A 26 8.470 3.831 0.858 1.00 0.00 O ATOM 327 CB THR A 26 10.573 6.159 2.155 1.00 0.00 C ATOM 328 OG1 THR A 26 11.659 5.667 1.360 1.00 0.00 O ATOM 329 CG2 THR A 26 10.501 5.380 3.459 1.00 0.00 C ATOM 0 H THR A 26 7.979 5.299 2.863 1.00 0.00 H new ATOM 0 HA THR A 26 9.171 6.880 0.680 1.00 0.00 H new ATOM 0 HB THR A 26 10.739 7.211 2.387 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.396 5.394 1.946 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.445 5.478 3.994 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.692 5.774 4.074 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.314 4.328 3.244 1.00 0.00 H new ATOM 337 N VAL A 27 10.147 4.649 -0.400 1.00 0.00 N ATOM 338 CA VAL A 27 10.254 3.454 -1.229 1.00 0.00 C ATOM 339 C VAL A 27 11.702 3.187 -1.623 1.00 0.00 C ATOM 340 O VAL A 27 12.321 3.980 -2.333 1.00 0.00 O ATOM 341 CB VAL A 27 9.401 3.578 -2.505 1.00 0.00 C ATOM 342 CG1 VAL A 27 9.472 2.296 -3.322 1.00 0.00 C ATOM 343 CG2 VAL A 27 7.961 3.916 -2.152 1.00 0.00 C ATOM 0 H VAL A 27 10.805 5.390 -0.641 1.00 0.00 H new ATOM 0 HA VAL A 27 9.883 2.621 -0.633 1.00 0.00 H new ATOM 0 HB VAL A 27 9.802 4.390 -3.112 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.863 2.402 -4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.506 2.102 -3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.097 1.464 -2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.372 4.000 -3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.546 3.128 -1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.931 4.863 -1.613 1.00 0.00 H new ATOM 353 N PHE A 28 12.239 2.064 -1.157 1.00 0.00 N ATOM 354 CA PHE A 28 13.616 1.691 -1.459 1.00 0.00 C ATOM 355 C PHE A 28 13.660 0.477 -2.382 1.00 0.00 C ATOM 356 O PHE A 28 12.879 -0.463 -2.229 1.00 0.00 O ATOM 357 CB PHE A 28 14.382 1.393 -0.169 1.00 0.00 C ATOM 358 CG PHE A 28 14.973 2.616 0.473 1.00 0.00 C ATOM 359 CD1 PHE A 28 14.232 3.372 1.367 1.00 0.00 C ATOM 360 CD2 PHE A 28 16.270 3.008 0.183 1.00 0.00 C ATOM 361 CE1 PHE A 28 14.774 4.497 1.960 1.00 0.00 C ATOM 362 CE2 PHE A 28 16.816 4.132 0.773 1.00 0.00 C ATOM 363 CZ PHE A 28 16.067 4.878 1.662 1.00 0.00 C ATOM 0 H PHE A 28 11.741 1.396 -0.568 1.00 0.00 H new ATOM 0 HA PHE A 28 14.090 2.530 -1.968 1.00 0.00 H new ATOM 0 HB2 PHE A 28 13.710 0.909 0.540 1.00 0.00 H new ATOM 0 HB3 PHE A 28 15.181 0.684 -0.386 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.220 3.079 1.603 1.00 0.00 H new ATOM 0 HD2 PHE A 28 16.860 2.429 -0.512 1.00 0.00 H new ATOM 0 HE1 PHE A 28 14.186 5.077 2.656 1.00 0.00 H new ATOM 0 HE2 PHE A 28 17.828 4.427 0.539 1.00 0.00 H new ATOM 0 HZ PHE A 28 16.492 5.757 2.123 1.00 0.00 H new ATOM 373 N LEU A 29 14.579 0.504 -3.342 1.00 0.00 N ATOM 374 CA LEU A 29 14.726 -0.593 -4.291 1.00 0.00 C ATOM 375 C LEU A 29 15.970 -1.419 -3.980 1.00 0.00 C ATOM 376 O LEU A 29 17.086 -0.902 -3.976 1.00 0.00 O ATOM 377 CB LEU A 29 14.804 -0.051 -5.720 1.00 0.00 C ATOM 378 CG LEU A 29 15.431 -0.983 -6.758 1.00 0.00 C ATOM 379 CD1 LEU A 29 14.495 -2.139 -7.072 1.00 0.00 C ATOM 380 CD2 LEU A 29 15.777 -0.214 -8.024 1.00 0.00 C ATOM 0 H LEU A 29 15.233 1.274 -3.483 1.00 0.00 H new ATOM 0 HA LEU A 29 13.852 -1.238 -4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.795 0.199 -6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.374 0.878 -5.704 1.00 0.00 H new ATOM 0 HG LEU A 29 16.352 -1.392 -6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.958 -2.791 -7.812 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.298 -2.705 -6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 29 13.557 -1.750 -7.467 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.222 -0.893 -8.752 1.00 0.00 H new ATOM 0 HD22 LEU A 29 14.871 0.224 -8.443 1.00 0.00 H new ATOM 0 HD23 LEU A 29 16.486 0.579 -7.786 1.00 0.00 H new ATOM 392 N ASN A 30 15.769 -2.708 -3.722 1.00 0.00 N ATOM 393 CA ASN A 30 16.875 -3.606 -3.411 1.00 0.00 C ATOM 394 C ASN A 30 17.600 -4.037 -4.682 1.00 0.00 C ATOM 395 O ASN A 30 16.992 -4.591 -5.597 1.00 0.00 O ATOM 396 CB ASN A 30 16.363 -4.838 -2.661 1.00 0.00 C ATOM 397 CG ASN A 30 16.195 -4.581 -1.176 1.00 0.00 C ATOM 398 OD1 ASN A 30 16.663 -3.571 -0.652 1.00 0.00 O ATOM 399 ND2 ASN A 30 15.523 -5.498 -0.490 1.00 0.00 N ATOM 0 H ASN A 30 14.851 -3.153 -3.722 1.00 0.00 H new ATOM 0 HA ASN A 30 17.579 -3.068 -2.776 1.00 0.00 H new ATOM 0 HB2 ASN A 30 15.407 -5.147 -3.084 1.00 0.00 H new ATOM 0 HB3 ASN A 30 17.058 -5.665 -2.808 1.00 0.00 H new ATOM 0 HD21 ASN A 30 15.378 -5.380 0.513 1.00 0.00 H new ATOM 0 HD22 ASN A 30 15.152 -6.321 -0.966 1.00 0.00 H new ATOM 406 N GLU A 31 18.903 -3.777 -4.731 1.00 0.00 N ATOM 407 CA GLU A 31 19.711 -4.137 -5.890 1.00 0.00 C ATOM 408 C GLU A 31 20.149 -5.597 -5.816 1.00 0.00 C ATOM 409 O GLU A 31 20.130 -6.314 -6.816 1.00 0.00 O ATOM 410 CB GLU A 31 20.938 -3.229 -5.987 1.00 0.00 C ATOM 411 CG GLU A 31 20.658 -1.895 -6.657 1.00 0.00 C ATOM 412 CD GLU A 31 21.925 -1.156 -7.040 1.00 0.00 C ATOM 413 OE1 GLU A 31 22.549 -1.535 -8.054 1.00 0.00 O ATOM 414 OE2 GLU A 31 22.294 -0.200 -6.327 1.00 0.00 O ATOM 0 H GLU A 31 19.421 -3.318 -3.982 1.00 0.00 H new ATOM 0 HA GLU A 31 19.099 -4.004 -6.782 1.00 0.00 H new ATOM 0 HB2 GLU A 31 21.325 -3.048 -4.984 1.00 0.00 H new ATOM 0 HB3 GLU A 31 21.720 -3.747 -6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 31 20.055 -2.061 -7.550 1.00 0.00 H new ATOM 0 HG3 GLU A 31 20.068 -1.272 -5.985 1.00 0.00 H new ATOM 421 N SER A 32 20.543 -6.030 -4.623 1.00 0.00 N ATOM 422 CA SER A 32 20.990 -7.403 -4.417 1.00 0.00 C ATOM 423 C SER A 32 19.813 -8.372 -4.470 1.00 0.00 C ATOM 424 O SER A 32 19.995 -9.580 -4.619 1.00 0.00 O ATOM 425 CB SER A 32 21.711 -7.531 -3.073 1.00 0.00 C ATOM 426 OG SER A 32 22.532 -8.686 -3.043 1.00 0.00 O ATOM 0 H SER A 32 20.562 -5.450 -3.784 1.00 0.00 H new ATOM 0 HA SER A 32 21.683 -7.657 -5.219 1.00 0.00 H new ATOM 0 HB2 SER A 32 22.319 -6.644 -2.897 1.00 0.00 H new ATOM 0 HB3 SER A 32 20.979 -7.580 -2.267 1.00 0.00 H new ATOM 0 HG SER A 32 22.096 -9.410 -3.539 1.00 0.00 H new ATOM 432 N SER A 33 18.605 -7.832 -4.348 1.00 0.00 N ATOM 433 CA SER A 33 17.396 -8.647 -4.378 1.00 0.00 C ATOM 434 C SER A 33 16.253 -7.900 -5.059 1.00 0.00 C ATOM 435 O SER A 33 15.967 -6.749 -4.731 1.00 0.00 O ATOM 436 CB SER A 33 16.987 -9.043 -2.958 1.00 0.00 C ATOM 437 OG SER A 33 17.947 -9.905 -2.372 1.00 0.00 O ATOM 0 H SER A 33 18.437 -6.833 -4.227 1.00 0.00 H new ATOM 0 HA SER A 33 17.610 -9.549 -4.952 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.875 -8.148 -2.346 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.016 -9.537 -2.980 1.00 0.00 H new ATOM 0 HG SER A 33 17.663 -10.142 -1.464 1.00 0.00 H new ATOM 443 N ASP A 34 15.604 -8.564 -6.009 1.00 0.00 N ATOM 444 CA ASP A 34 14.492 -7.965 -6.736 1.00 0.00 C ATOM 445 C ASP A 34 13.290 -7.761 -5.820 1.00 0.00 C ATOM 446 O ASP A 34 12.314 -8.508 -5.883 1.00 0.00 O ATOM 447 CB ASP A 34 14.099 -8.844 -7.925 1.00 0.00 C ATOM 448 CG ASP A 34 13.965 -10.306 -7.544 1.00 0.00 C ATOM 449 OD1 ASP A 34 13.692 -10.588 -6.359 1.00 0.00 O ATOM 450 OD2 ASP A 34 14.133 -11.167 -8.432 1.00 0.00 O ATOM 0 H ASP A 34 15.829 -9.517 -6.293 1.00 0.00 H new ATOM 0 HA ASP A 34 14.814 -6.991 -7.105 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.154 -8.491 -8.338 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.848 -8.743 -8.711 1.00 0.00 H new ATOM 455 N ASN A 35 13.368 -6.745 -4.967 1.00 0.00 N ATOM 456 CA ASN A 35 12.287 -6.443 -4.035 1.00 0.00 C ATOM 457 C ASN A 35 12.173 -4.940 -3.802 1.00 0.00 C ATOM 458 O ASN A 35 13.116 -4.189 -4.052 1.00 0.00 O ATOM 459 CB ASN A 35 12.519 -7.161 -2.704 1.00 0.00 C ATOM 460 CG ASN A 35 12.486 -8.670 -2.847 1.00 0.00 C ATOM 461 OD1 ASN A 35 11.457 -9.305 -2.613 1.00 0.00 O ATOM 462 ND2 ASN A 35 13.616 -9.252 -3.232 1.00 0.00 N ATOM 0 H ASN A 35 14.169 -6.116 -4.902 1.00 0.00 H new ATOM 0 HA ASN A 35 11.353 -6.796 -4.473 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.483 -6.859 -2.295 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.757 -6.850 -1.989 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.655 -10.265 -3.345 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.445 -8.686 -3.415 1.00 0.00 H new ATOM 469 N VAL A 36 11.011 -4.508 -3.322 1.00 0.00 N ATOM 470 CA VAL A 36 10.773 -3.094 -3.054 1.00 0.00 C ATOM 471 C VAL A 36 10.397 -2.868 -1.594 1.00 0.00 C ATOM 472 O VAL A 36 9.369 -3.357 -1.124 1.00 0.00 O ATOM 473 CB VAL A 36 9.657 -2.532 -3.953 1.00 0.00 C ATOM 474 CG1 VAL A 36 9.425 -1.058 -3.659 1.00 0.00 C ATOM 475 CG2 VAL A 36 9.998 -2.745 -5.420 1.00 0.00 C ATOM 0 H VAL A 36 10.220 -5.116 -3.111 1.00 0.00 H new ATOM 0 HA VAL A 36 11.703 -2.569 -3.273 1.00 0.00 H new ATOM 0 HB VAL A 36 8.734 -3.070 -3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 36 8.633 -0.679 -4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.133 -0.937 -2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.343 -0.501 -3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.199 -2.342 -6.042 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.932 -2.235 -5.654 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.108 -3.811 -5.617 1.00 0.00 H new ATOM 485 N ASP A 37 11.236 -2.124 -0.881 1.00 0.00 N ATOM 486 CA ASP A 37 10.990 -1.831 0.526 1.00 0.00 C ATOM 487 C ASP A 37 10.119 -0.588 0.679 1.00 0.00 C ATOM 488 O ASP A 37 10.154 0.313 -0.160 1.00 0.00 O ATOM 489 CB ASP A 37 12.314 -1.635 1.267 1.00 0.00 C ATOM 490 CG ASP A 37 13.027 -2.946 1.535 1.00 0.00 C ATOM 491 OD1 ASP A 37 12.553 -3.712 2.400 1.00 0.00 O ATOM 492 OD2 ASP A 37 14.060 -3.205 0.881 1.00 0.00 O ATOM 0 H ASP A 37 12.092 -1.713 -1.254 1.00 0.00 H new ATOM 0 HA ASP A 37 10.461 -2.679 0.961 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.963 -0.985 0.680 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.126 -1.127 2.213 1.00 0.00 H new ATOM 497 N ILE A 38 9.338 -0.547 1.753 1.00 0.00 N ATOM 498 CA ILE A 38 8.458 0.585 2.015 1.00 0.00 C ATOM 499 C ILE A 38 8.369 0.879 3.508 1.00 0.00 C ATOM 500 O ILE A 38 8.041 0.000 4.305 1.00 0.00 O ATOM 501 CB ILE A 38 7.041 0.334 1.467 1.00 0.00 C ATOM 502 CG1 ILE A 38 7.109 -0.152 0.018 1.00 0.00 C ATOM 503 CG2 ILE A 38 6.203 1.600 1.567 1.00 0.00 C ATOM 504 CD1 ILE A 38 7.210 -1.656 -0.110 1.00 0.00 C ATOM 0 H ILE A 38 9.297 -1.285 2.456 1.00 0.00 H new ATOM 0 HA ILE A 38 8.890 1.445 1.504 1.00 0.00 H new ATOM 0 HB ILE A 38 6.567 -0.442 2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.222 0.191 -0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.970 0.305 -0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.204 1.407 1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.131 1.907 2.610 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.673 2.394 0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.254 -1.929 -1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.112 -2.004 0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.337 -2.120 0.349 1.00 0.00 H new ATOM 516 N ARG A 39 8.663 2.120 3.880 1.00 0.00 N ATOM 517 CA ARG A 39 8.616 2.530 5.278 1.00 0.00 C ATOM 518 C ARG A 39 7.671 3.713 5.466 1.00 0.00 C ATOM 519 O ARG A 39 7.649 4.638 4.654 1.00 0.00 O ATOM 520 CB ARG A 39 10.017 2.899 5.771 1.00 0.00 C ATOM 521 CG ARG A 39 10.076 3.213 7.257 1.00 0.00 C ATOM 522 CD ARG A 39 9.884 1.961 8.099 1.00 0.00 C ATOM 523 NE ARG A 39 10.382 2.136 9.461 1.00 0.00 N ATOM 524 CZ ARG A 39 11.671 2.221 9.767 1.00 0.00 C ATOM 525 NH1 ARG A 39 12.589 2.147 8.813 1.00 0.00 N ATOM 526 NH2 ARG A 39 12.045 2.379 11.031 1.00 0.00 N ATOM 0 H ARG A 39 8.936 2.859 3.233 1.00 0.00 H new ATOM 0 HA ARG A 39 8.241 1.691 5.864 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.698 2.076 5.555 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.374 3.763 5.211 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.037 3.670 7.496 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.306 3.942 7.507 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.825 1.704 8.130 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.401 1.125 7.628 1.00 0.00 H new ATOM 0 HE ARG A 39 9.702 2.196 10.219 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.306 2.024 7.841 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.579 2.213 9.051 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.342 2.435 11.768 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.036 2.444 11.265 1.00 0.00 H new ATOM 540 N TRP A 40 6.892 3.676 6.541 1.00 0.00 N ATOM 541 CA TRP A 40 5.944 4.745 6.835 1.00 0.00 C ATOM 542 C TRP A 40 5.808 4.953 8.339 1.00 0.00 C ATOM 543 O TRP A 40 6.495 4.306 9.129 1.00 0.00 O ATOM 544 CB TRP A 40 4.578 4.425 6.226 1.00 0.00 C ATOM 545 CG TRP A 40 3.973 3.160 6.755 1.00 0.00 C ATOM 546 CD1 TRP A 40 3.059 3.048 7.764 1.00 0.00 C ATOM 547 CD2 TRP A 40 4.241 1.828 6.303 1.00 0.00 C ATOM 548 NE1 TRP A 40 2.743 1.726 7.966 1.00 0.00 N ATOM 549 CE2 TRP A 40 3.454 0.958 7.083 1.00 0.00 C ATOM 550 CE3 TRP A 40 5.067 1.286 5.316 1.00 0.00 C ATOM 551 CZ2 TRP A 40 3.471 -0.423 6.904 1.00 0.00 C ATOM 552 CZ3 TRP A 40 5.084 -0.084 5.140 1.00 0.00 C ATOM 553 CH2 TRP A 40 4.290 -0.926 5.930 1.00 0.00 C ATOM 0 H TRP A 40 6.898 2.918 7.223 1.00 0.00 H new ATOM 0 HA TRP A 40 6.324 5.666 6.393 1.00 0.00 H new ATOM 0 HB2 TRP A 40 3.898 5.254 6.422 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.680 4.345 5.144 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.646 3.876 8.321 1.00 0.00 H new ATOM 0 HE1 TRP A 40 2.085 1.374 8.661 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.682 1.927 4.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 2.860 -1.074 7.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.720 -0.514 4.380 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.325 -1.993 5.767 1.00 0.00 H new ATOM 564 N MET A 41 4.916 5.858 8.729 1.00 0.00 N ATOM 565 CA MET A 41 4.689 6.149 10.140 1.00 0.00 C ATOM 566 C MET A 41 3.200 6.125 10.467 1.00 0.00 C ATOM 567 O MET A 41 2.356 6.248 9.579 1.00 0.00 O ATOM 568 CB MET A 41 5.281 7.513 10.503 1.00 0.00 C ATOM 569 CG MET A 41 6.726 7.442 10.972 1.00 0.00 C ATOM 570 SD MET A 41 7.158 8.786 12.094 1.00 0.00 S ATOM 571 CE MET A 41 6.660 10.209 11.126 1.00 0.00 C ATOM 0 H MET A 41 4.339 6.402 8.088 1.00 0.00 H new ATOM 0 HA MET A 41 5.185 5.377 10.729 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.221 8.169 9.635 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.675 7.966 11.287 1.00 0.00 H new ATOM 0 HG2 MET A 41 6.895 6.488 11.471 1.00 0.00 H new ATOM 0 HG3 MET A 41 7.387 7.470 10.106 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.487 10.917 11.068 1.00 0.00 H new ATOM 0 HE2 MET A 41 6.387 9.888 10.121 1.00 0.00 H new ATOM 0 HE3 MET A 41 5.803 10.689 11.599 1.00 0.00 H new ATOM 581 N LYS A 42 2.882 5.966 11.747 1.00 0.00 N ATOM 582 CA LYS A 42 1.495 5.927 12.193 1.00 0.00 C ATOM 583 C LYS A 42 0.906 7.332 12.264 1.00 0.00 C ATOM 584 O LYS A 42 1.506 8.256 12.813 1.00 0.00 O ATOM 585 CB LYS A 42 1.396 5.252 13.563 1.00 0.00 C ATOM 586 CG LYS A 42 0.121 4.449 13.756 1.00 0.00 C ATOM 587 CD LYS A 42 -0.985 5.296 14.361 1.00 0.00 C ATOM 588 CE LYS A 42 -0.918 5.297 15.881 1.00 0.00 C ATOM 589 NZ LYS A 42 0.445 5.636 16.375 1.00 0.00 N ATOM 0 H LYS A 42 3.568 5.862 12.495 1.00 0.00 H new ATOM 0 HA LYS A 42 0.923 5.348 11.467 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.254 4.593 13.697 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.456 6.015 14.339 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.208 4.051 12.796 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.322 3.595 14.403 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.905 6.318 13.992 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.954 4.915 14.039 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.637 6.015 16.276 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.208 4.316 16.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.419 5.759 17.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.103 4.867 16.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.766 6.519 15.929 1.00 0.00 H new ATOM 603 N PRO A 43 -0.298 7.499 11.696 1.00 0.00 N ATOM 604 CA PRO A 43 -0.995 8.789 11.684 1.00 0.00 C ATOM 605 C PRO A 43 -1.483 9.198 13.069 1.00 0.00 C ATOM 606 O PRO A 43 -1.564 8.385 13.990 1.00 0.00 O ATOM 607 CB PRO A 43 -2.183 8.541 10.750 1.00 0.00 C ATOM 608 CG PRO A 43 -2.422 7.073 10.824 1.00 0.00 C ATOM 609 CD PRO A 43 -1.072 6.442 11.024 1.00 0.00 C ATOM 0 HA PRO A 43 -0.343 9.601 11.362 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.061 9.102 11.069 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.958 8.855 9.731 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.093 6.828 11.647 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.892 6.708 9.911 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.136 5.541 11.634 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.619 6.153 10.076 1.00 0.00 H new ATOM 617 N PRO A 44 -1.815 10.488 13.224 1.00 0.00 N ATOM 618 CA PRO A 44 -2.302 11.034 14.494 1.00 0.00 C ATOM 619 C PRO A 44 -3.698 10.530 14.845 1.00 0.00 C ATOM 620 O PRO A 44 -4.293 10.957 15.835 1.00 0.00 O ATOM 621 CB PRO A 44 -2.325 12.544 14.246 1.00 0.00 C ATOM 622 CG PRO A 44 -2.472 12.683 12.770 1.00 0.00 C ATOM 623 CD PRO A 44 -1.743 11.514 12.169 1.00 0.00 C ATOM 0 HA PRO A 44 -1.673 10.736 15.333 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.153 13.019 14.773 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.409 13.017 14.599 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.523 12.678 12.480 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.050 13.626 12.423 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.216 11.176 11.247 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.711 11.767 11.924 1.00 0.00 H new ATOM 735 N LEU A 52 -5.876 2.454 15.047 1.00 0.00 N ATOM 736 CA LEU A 52 -5.452 1.776 13.827 1.00 0.00 C ATOM 737 C LEU A 52 -5.200 0.294 14.087 1.00 0.00 C ATOM 738 O LEU A 52 -4.752 -0.090 15.168 1.00 0.00 O ATOM 739 CB LEU A 52 -4.186 2.430 13.271 1.00 0.00 C ATOM 740 CG LEU A 52 -3.263 1.522 12.457 1.00 0.00 C ATOM 741 CD1 LEU A 52 -2.517 2.326 11.404 1.00 0.00 C ATOM 742 CD2 LEU A 52 -2.285 0.799 13.371 1.00 0.00 C ATOM 0 HA LEU A 52 -6.253 1.866 13.093 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.481 3.271 12.643 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.616 2.839 14.105 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.874 0.776 11.949 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.865 1.663 10.835 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.233 2.797 10.731 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.917 3.095 11.891 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.636 0.157 12.775 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.679 1.530 13.907 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.838 0.191 14.087 1.00 0.00 H new ATOM 754 N VAL A 53 -5.490 -0.534 13.089 1.00 0.00 N ATOM 755 CA VAL A 53 -5.292 -1.974 13.208 1.00 0.00 C ATOM 756 C VAL A 53 -4.287 -2.477 12.178 1.00 0.00 C ATOM 757 O VAL A 53 -3.629 -3.496 12.384 1.00 0.00 O ATOM 758 CB VAL A 53 -6.617 -2.739 13.033 1.00 0.00 C ATOM 759 CG1 VAL A 53 -7.445 -2.671 14.307 1.00 0.00 C ATOM 760 CG2 VAL A 53 -7.398 -2.187 11.850 1.00 0.00 C ATOM 0 H VAL A 53 -5.863 -0.233 12.189 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.904 -2.159 14.210 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.389 -3.786 12.832 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.378 -3.217 14.164 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.885 -3.117 15.129 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.666 -1.630 14.542 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.331 -2.739 11.741 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.618 -1.133 12.019 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.805 -2.293 10.941 1.00 0.00 H new ATOM 770 N GLY A 54 -4.173 -1.755 11.068 1.00 0.00 N ATOM 771 CA GLY A 54 -3.246 -2.144 10.022 1.00 0.00 C ATOM 772 C GLY A 54 -3.131 -1.098 8.930 1.00 0.00 C ATOM 773 O GLY A 54 -3.621 0.022 9.080 1.00 0.00 O ATOM 0 H GLY A 54 -4.706 -0.907 10.874 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.263 -2.318 10.459 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.572 -3.087 9.584 1.00 0.00 H new ATOM 777 N TYR A 55 -2.481 -1.462 7.831 1.00 0.00 N ATOM 778 CA TYR A 55 -2.300 -0.545 6.711 1.00 0.00 C ATOM 779 C TYR A 55 -2.636 -1.227 5.389 1.00 0.00 C ATOM 780 O TYR A 55 -2.544 -2.449 5.266 1.00 0.00 O ATOM 781 CB TYR A 55 -0.861 -0.025 6.679 1.00 0.00 C ATOM 782 CG TYR A 55 -0.407 0.581 7.987 1.00 0.00 C ATOM 783 CD1 TYR A 55 -0.007 -0.224 9.047 1.00 0.00 C ATOM 784 CD2 TYR A 55 -0.378 1.959 8.164 1.00 0.00 C ATOM 785 CE1 TYR A 55 0.408 0.325 10.244 1.00 0.00 C ATOM 786 CE2 TYR A 55 0.037 2.517 9.357 1.00 0.00 C ATOM 787 CZ TYR A 55 0.429 1.696 10.395 1.00 0.00 C ATOM 788 OH TYR A 55 0.842 2.248 11.585 1.00 0.00 O ATOM 0 H TYR A 55 -2.070 -2.385 7.691 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.980 0.295 6.848 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.193 -0.845 6.417 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.771 0.723 5.891 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.021 -1.298 8.932 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.685 2.605 7.355 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.715 -0.316 11.058 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.055 3.590 9.477 1.00 0.00 H new ATOM 0 HH TYR A 55 1.252 3.122 11.415 1.00 0.00 H new ATOM 798 N ARG A 56 -3.025 -0.428 4.400 1.00 0.00 N ATOM 799 CA ARG A 56 -3.375 -0.953 3.086 1.00 0.00 C ATOM 800 C ARG A 56 -2.420 -0.428 2.018 1.00 0.00 C ATOM 801 O ARG A 56 -2.509 0.730 1.608 1.00 0.00 O ATOM 802 CB ARG A 56 -4.814 -0.575 2.730 1.00 0.00 C ATOM 803 CG ARG A 56 -5.340 -1.280 1.490 1.00 0.00 C ATOM 804 CD ARG A 56 -6.840 -1.089 1.335 1.00 0.00 C ATOM 805 NE ARG A 56 -7.600 -2.072 2.103 1.00 0.00 N ATOM 806 CZ ARG A 56 -7.836 -3.309 1.683 1.00 0.00 C ATOM 807 NH1 ARG A 56 -7.373 -3.714 0.508 1.00 0.00 N ATOM 808 NH2 ARG A 56 -8.535 -4.146 2.439 1.00 0.00 N ATOM 0 H ARG A 56 -3.106 0.585 4.484 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.290 -2.039 3.122 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.462 -0.811 3.574 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.870 0.503 2.576 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.830 -0.895 0.607 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.112 -2.344 1.551 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.113 -0.085 1.661 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.108 -1.166 0.281 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.970 -1.793 3.012 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.834 -3.074 -0.076 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.556 -4.665 0.188 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.892 -3.839 3.344 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.716 -5.096 2.115 1.00 0.00 H new ATOM 822 N ILE A 57 -1.509 -1.286 1.574 1.00 0.00 N ATOM 823 CA ILE A 57 -0.538 -0.908 0.554 1.00 0.00 C ATOM 824 C ILE A 57 -0.966 -1.405 -0.823 1.00 0.00 C ATOM 825 O ILE A 57 -1.201 -2.597 -1.019 1.00 0.00 O ATOM 826 CB ILE A 57 0.862 -1.464 0.875 1.00 0.00 C ATOM 827 CG1 ILE A 57 1.183 -1.269 2.358 1.00 0.00 C ATOM 828 CG2 ILE A 57 1.912 -0.789 0.006 1.00 0.00 C ATOM 829 CD1 ILE A 57 2.391 -2.052 2.823 1.00 0.00 C ATOM 0 H ILE A 57 -1.422 -2.247 1.904 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.495 0.181 0.548 1.00 0.00 H new ATOM 0 HB ILE A 57 0.872 -2.532 0.658 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.352 -0.209 2.549 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.318 -1.566 2.951 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.896 -1.193 0.245 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.689 -0.975 -1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.905 0.285 0.194 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.559 -1.866 3.884 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.218 -3.116 2.665 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.268 -1.739 2.256 1.00 0.00 H new ATOM 841 N SER A 58 -1.064 -0.483 -1.775 1.00 0.00 N ATOM 842 CA SER A 58 -1.466 -0.826 -3.134 1.00 0.00 C ATOM 843 C SER A 58 -0.332 -0.559 -4.120 1.00 0.00 C ATOM 844 O SER A 58 -0.080 0.585 -4.498 1.00 0.00 O ATOM 845 CB SER A 58 -2.707 -0.028 -3.539 1.00 0.00 C ATOM 846 OG SER A 58 -2.992 -0.193 -4.917 1.00 0.00 O ATOM 0 H SER A 58 -0.870 0.508 -1.630 1.00 0.00 H new ATOM 0 HA SER A 58 -1.703 -1.890 -3.158 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.562 -0.353 -2.946 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.551 1.028 -3.321 1.00 0.00 H new ATOM 0 HG SER A 58 -3.790 0.326 -5.150 1.00 0.00 H new ATOM 852 N HIS A 59 0.349 -1.624 -4.532 1.00 0.00 N ATOM 853 CA HIS A 59 1.456 -1.506 -5.474 1.00 0.00 C ATOM 854 C HIS A 59 1.027 -1.937 -6.873 1.00 0.00 C ATOM 855 O HIS A 59 0.797 -3.120 -7.126 1.00 0.00 O ATOM 856 CB HIS A 59 2.642 -2.351 -5.008 1.00 0.00 C ATOM 857 CG HIS A 59 2.273 -3.761 -4.662 1.00 0.00 C ATOM 858 ND1 HIS A 59 2.709 -4.852 -5.385 1.00 0.00 N ATOM 859 CD2 HIS A 59 1.507 -4.256 -3.663 1.00 0.00 C ATOM 860 CE1 HIS A 59 2.225 -5.956 -4.845 1.00 0.00 C ATOM 861 NE2 HIS A 59 1.492 -5.622 -3.799 1.00 0.00 N ATOM 0 H HIS A 59 0.154 -2.578 -4.228 1.00 0.00 H new ATOM 0 HA HIS A 59 1.758 -0.459 -5.512 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.399 -2.364 -5.792 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.094 -1.878 -4.136 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.001 -3.683 -2.900 1.00 0.00 H new ATOM 0 HE1 HIS A 59 2.399 -6.961 -5.199 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.995 -6.273 -3.191 1.00 0.00 H new ATOM 870 N VAL A 60 0.920 -0.970 -7.778 1.00 0.00 N ATOM 871 CA VAL A 60 0.519 -1.249 -9.152 1.00 0.00 C ATOM 872 C VAL A 60 1.717 -1.209 -10.094 1.00 0.00 C ATOM 873 O VAL A 60 2.773 -0.677 -9.748 1.00 0.00 O ATOM 874 CB VAL A 60 -0.540 -0.245 -9.643 1.00 0.00 C ATOM 875 CG1 VAL A 60 0.004 1.175 -9.588 1.00 0.00 C ATOM 876 CG2 VAL A 60 -0.995 -0.596 -11.052 1.00 0.00 C ATOM 0 H VAL A 60 1.105 0.014 -7.585 1.00 0.00 H new ATOM 0 HA VAL A 60 0.089 -2.251 -9.158 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.404 -0.303 -8.982 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.758 1.871 -9.939 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.275 1.421 -8.561 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.886 1.252 -10.224 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.743 0.124 -11.383 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.140 -0.568 -11.728 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.428 -1.596 -11.056 1.00 0.00 H new ATOM 886 N TRP A 61 1.547 -1.773 -11.284 1.00 0.00 N ATOM 887 CA TRP A 61 2.615 -1.801 -12.276 1.00 0.00 C ATOM 888 C TRP A 61 2.079 -1.463 -13.663 1.00 0.00 C ATOM 889 O TRP A 61 1.223 -2.169 -14.195 1.00 0.00 O ATOM 890 CB TRP A 61 3.285 -3.176 -12.296 1.00 0.00 C ATOM 891 CG TRP A 61 3.689 -3.659 -10.936 1.00 0.00 C ATOM 892 CD1 TRP A 61 2.862 -4.116 -9.950 1.00 0.00 C ATOM 893 CD2 TRP A 61 5.020 -3.731 -10.413 1.00 0.00 C ATOM 894 NE1 TRP A 61 3.599 -4.468 -8.845 1.00 0.00 N ATOM 895 CE2 TRP A 61 4.925 -4.243 -9.104 1.00 0.00 C ATOM 896 CE3 TRP A 61 6.282 -3.416 -10.923 1.00 0.00 C ATOM 897 CZ2 TRP A 61 6.045 -4.443 -8.300 1.00 0.00 C ATOM 898 CZ3 TRP A 61 7.392 -3.616 -10.125 1.00 0.00 C ATOM 899 CH2 TRP A 61 7.268 -4.126 -8.826 1.00 0.00 C ATOM 0 H TRP A 61 0.680 -2.217 -11.585 1.00 0.00 H new ATOM 0 HA TRP A 61 3.354 -1.049 -11.999 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.602 -3.899 -12.742 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.167 -3.133 -12.935 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.787 -4.190 -10.027 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.220 -4.837 -7.973 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.388 -3.023 -11.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 5.951 -4.834 -7.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 8.372 -3.375 -10.509 1.00 0.00 H new ATOM 0 HH2 TRP A 61 8.155 -4.272 -8.228 1.00 0.00 H new ATOM 910 N GLN A 62 2.587 -0.380 -14.242 1.00 0.00 N ATOM 911 CA GLN A 62 2.157 0.050 -15.567 1.00 0.00 C ATOM 912 C GLN A 62 3.336 0.094 -16.534 1.00 0.00 C ATOM 913 O GLN A 62 4.186 0.980 -16.452 1.00 0.00 O ATOM 914 CB GLN A 62 1.495 1.427 -15.489 1.00 0.00 C ATOM 915 CG GLN A 62 -0.006 1.367 -15.252 1.00 0.00 C ATOM 916 CD GLN A 62 -0.707 2.659 -15.624 1.00 0.00 C ATOM 917 OE1 GLN A 62 -0.068 3.695 -15.807 1.00 0.00 O ATOM 918 NE2 GLN A 62 -2.029 2.603 -15.740 1.00 0.00 N ATOM 0 H GLN A 62 3.296 0.215 -13.815 1.00 0.00 H new ATOM 0 HA GLN A 62 1.432 -0.674 -15.939 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.959 1.999 -14.686 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.687 1.966 -16.416 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.429 0.548 -15.833 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.196 1.144 -14.202 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.518 1.723 -15.579 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.555 3.440 -15.990 1.00 0.00 H new ATOM 927 N SER A 63 3.380 -0.869 -17.449 1.00 0.00 N ATOM 928 CA SER A 63 4.457 -0.942 -18.430 1.00 0.00 C ATOM 929 C SER A 63 3.930 -0.678 -19.837 1.00 0.00 C ATOM 930 O SER A 63 2.731 -0.787 -20.093 1.00 0.00 O ATOM 931 CB SER A 63 5.131 -2.315 -18.375 1.00 0.00 C ATOM 932 OG SER A 63 5.646 -2.680 -19.644 1.00 0.00 O ATOM 0 H SER A 63 2.683 -1.609 -17.532 1.00 0.00 H new ATOM 0 HA SER A 63 5.191 -0.174 -18.186 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.938 -2.299 -17.642 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.412 -3.064 -18.041 1.00 0.00 H new ATOM 0 HG SER A 63 6.073 -3.560 -19.583 1.00 0.00 H new ATOM 938 N ALA A 64 4.835 -0.329 -20.745 1.00 0.00 N ATOM 939 CA ALA A 64 4.463 -0.050 -22.126 1.00 0.00 C ATOM 940 C ALA A 64 3.923 -1.300 -22.813 1.00 0.00 C ATOM 941 O ALA A 64 4.681 -2.203 -23.164 1.00 0.00 O ATOM 942 CB ALA A 64 5.655 0.502 -22.893 1.00 0.00 C ATOM 0 H ALA A 64 5.831 -0.233 -20.549 1.00 0.00 H new ATOM 0 HA ALA A 64 3.671 0.699 -22.118 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.362 0.706 -23.923 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.994 1.425 -22.423 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.464 -0.229 -22.883 1.00 0.00 H new ATOM 948 N GLY A 65 2.608 -1.346 -23.000 1.00 0.00 N ATOM 949 CA GLY A 65 1.989 -2.491 -23.643 1.00 0.00 C ATOM 950 C GLY A 65 1.410 -3.473 -22.645 1.00 0.00 C ATOM 951 O GLY A 65 0.585 -4.315 -23.000 1.00 0.00 O ATOM 0 H GLY A 65 1.960 -0.611 -22.718 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.198 -2.146 -24.309 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.728 -3.000 -24.262 1.00 0.00 H new ATOM 955 N ILE A 66 1.843 -3.367 -21.393 1.00 0.00 N ATOM 956 CA ILE A 66 1.362 -4.254 -20.341 1.00 0.00 C ATOM 957 C ILE A 66 1.041 -3.476 -19.070 1.00 0.00 C ATOM 958 O ILE A 66 1.850 -2.678 -18.597 1.00 0.00 O ATOM 959 CB ILE A 66 2.394 -5.349 -20.012 1.00 0.00 C ATOM 960 CG1 ILE A 66 2.419 -6.406 -21.118 1.00 0.00 C ATOM 961 CG2 ILE A 66 2.078 -5.988 -18.668 1.00 0.00 C ATOM 962 CD1 ILE A 66 1.067 -7.026 -21.392 1.00 0.00 C ATOM 0 H ILE A 66 2.526 -2.676 -21.083 1.00 0.00 H new ATOM 0 HA ILE A 66 0.453 -4.724 -20.716 1.00 0.00 H new ATOM 0 HB ILE A 66 3.381 -4.891 -19.951 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.794 -5.952 -22.035 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.121 -7.193 -20.842 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.816 -6.760 -18.450 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.107 -5.227 -17.888 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.085 -6.435 -18.702 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.160 -7.766 -22.187 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.699 -7.510 -20.487 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.366 -6.250 -21.699 1.00 0.00 H new ATOM 974 N SER A 67 -0.146 -3.714 -18.521 1.00 0.00 N ATOM 975 CA SER A 67 -0.576 -3.034 -17.304 1.00 0.00 C ATOM 976 C SER A 67 -1.082 -4.036 -16.271 1.00 0.00 C ATOM 977 O SER A 67 -2.113 -4.680 -16.465 1.00 0.00 O ATOM 978 CB SER A 67 -1.673 -2.017 -17.624 1.00 0.00 C ATOM 979 OG SER A 67 -2.880 -2.665 -17.986 1.00 0.00 O ATOM 0 H SER A 67 -0.827 -4.372 -18.899 1.00 0.00 H new ATOM 0 HA SER A 67 0.284 -2.511 -16.886 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.845 -1.379 -16.757 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.346 -1.369 -18.437 1.00 0.00 H new ATOM 0 HG SER A 67 -2.842 -3.605 -17.711 1.00 0.00 H new ATOM 985 N LYS A 68 -0.347 -4.164 -15.171 1.00 0.00 N ATOM 986 CA LYS A 68 -0.719 -5.086 -14.105 1.00 0.00 C ATOM 987 C LYS A 68 -1.088 -4.327 -12.834 1.00 0.00 C ATOM 988 O LYS A 68 -0.636 -3.203 -12.619 1.00 0.00 O ATOM 989 CB LYS A 68 0.429 -6.056 -13.817 1.00 0.00 C ATOM 990 CG LYS A 68 0.512 -7.209 -14.802 1.00 0.00 C ATOM 991 CD LYS A 68 -0.333 -8.389 -14.351 1.00 0.00 C ATOM 992 CE LYS A 68 0.223 -9.705 -14.872 1.00 0.00 C ATOM 993 NZ LYS A 68 1.357 -10.196 -14.040 1.00 0.00 N ATOM 0 H LYS A 68 0.510 -3.640 -14.995 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.590 -5.652 -14.436 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.370 -5.507 -13.833 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.311 -6.457 -12.810 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.177 -6.875 -15.784 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.550 -7.523 -14.909 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.372 -8.415 -13.262 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.356 -8.260 -14.703 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.569 -10.454 -14.885 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.557 -9.576 -15.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.708 -11.095 -14.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.123 -9.493 -14.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.032 -10.344 -13.063 1.00 0.00 H new ATOM 1007 N GLU A 69 -1.910 -4.951 -11.996 1.00 0.00 N ATOM 1008 CA GLU A 69 -2.338 -4.333 -10.746 1.00 0.00 C ATOM 1009 C GLU A 69 -2.210 -5.313 -9.583 1.00 0.00 C ATOM 1010 O GLU A 69 -2.641 -6.464 -9.675 1.00 0.00 O ATOM 1011 CB GLU A 69 -3.785 -3.847 -10.861 1.00 0.00 C ATOM 1012 CG GLU A 69 -4.046 -3.001 -12.095 1.00 0.00 C ATOM 1013 CD GLU A 69 -5.239 -2.080 -11.929 1.00 0.00 C ATOM 1014 OE1 GLU A 69 -5.083 -1.016 -11.293 1.00 0.00 O ATOM 1015 OE2 GLU A 69 -6.329 -2.422 -12.434 1.00 0.00 O ATOM 0 H GLU A 69 -2.292 -5.882 -12.159 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.690 -3.479 -10.552 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.450 -4.711 -10.876 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.036 -3.267 -9.973 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.160 -2.406 -12.317 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.213 -3.655 -12.951 1.00 0.00 H new ATOM 1022 N LEU A 70 -1.615 -4.850 -8.490 1.00 0.00 N ATOM 1023 CA LEU A 70 -1.428 -5.684 -7.308 1.00 0.00 C ATOM 1024 C LEU A 70 -1.909 -4.965 -6.052 1.00 0.00 C ATOM 1025 O LEU A 70 -2.017 -3.738 -6.029 1.00 0.00 O ATOM 1026 CB LEU A 70 0.045 -6.068 -7.157 1.00 0.00 C ATOM 1027 CG LEU A 70 0.476 -7.361 -7.850 1.00 0.00 C ATOM 1028 CD1 LEU A 70 -0.537 -8.466 -7.596 1.00 0.00 C ATOM 1029 CD2 LEU A 70 0.654 -7.131 -9.344 1.00 0.00 C ATOM 0 H LEU A 70 -1.253 -3.901 -8.397 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.021 -6.589 -7.436 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.654 -5.251 -7.544 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.269 -6.157 -6.094 1.00 0.00 H new ATOM 0 HG LEU A 70 1.434 -7.672 -7.434 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.213 -9.378 -8.097 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.615 -8.649 -6.524 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.510 -8.164 -7.984 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.961 -8.062 -9.821 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.289 -6.796 -9.775 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.418 -6.371 -9.507 1.00 0.00 H new ATOM 1041 N LEU A 71 -2.196 -5.735 -5.008 1.00 0.00 N ATOM 1042 CA LEU A 71 -2.663 -5.171 -3.746 1.00 0.00 C ATOM 1043 C LEU A 71 -2.090 -5.941 -2.561 1.00 0.00 C ATOM 1044 O LEU A 71 -2.325 -7.140 -2.415 1.00 0.00 O ATOM 1045 CB LEU A 71 -4.192 -5.191 -3.691 1.00 0.00 C ATOM 1046 CG LEU A 71 -4.844 -4.148 -2.783 1.00 0.00 C ATOM 1047 CD1 LEU A 71 -4.762 -4.582 -1.328 1.00 0.00 C ATOM 1048 CD2 LEU A 71 -4.188 -2.789 -2.975 1.00 0.00 C ATOM 0 H LEU A 71 -2.114 -6.752 -5.010 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.317 -4.139 -3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.574 -5.053 -4.702 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.511 -6.180 -3.362 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.896 -4.062 -3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.231 -3.828 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.279 -5.533 -1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.717 -4.697 -1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.665 -2.059 -2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.128 -2.859 -2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.300 -2.474 -4.012 1.00 0.00 H new ATOM 1060 N GLU A 72 -1.339 -5.242 -1.715 1.00 0.00 N ATOM 1061 CA GLU A 72 -0.734 -5.860 -0.541 1.00 0.00 C ATOM 1062 C GLU A 72 -1.533 -5.535 0.717 1.00 0.00 C ATOM 1063 O GLU A 72 -2.153 -4.476 0.815 1.00 0.00 O ATOM 1064 CB GLU A 72 0.712 -5.387 -0.377 1.00 0.00 C ATOM 1065 CG GLU A 72 1.595 -6.376 0.366 1.00 0.00 C ATOM 1066 CD GLU A 72 2.158 -7.451 -0.543 1.00 0.00 C ATOM 1067 OE1 GLU A 72 1.386 -8.336 -0.967 1.00 0.00 O ATOM 1068 OE2 GLU A 72 3.373 -7.408 -0.831 1.00 0.00 O ATOM 0 H GLU A 72 -1.135 -4.248 -1.821 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.741 -6.940 -0.686 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.139 -5.201 -1.363 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.716 -4.437 0.157 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.417 -5.839 0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.018 -6.845 1.163 1.00 0.00 H new ATOM 1075 N GLU A 73 -1.514 -6.455 1.677 1.00 0.00 N ATOM 1076 CA GLU A 73 -2.238 -6.267 2.929 1.00 0.00 C ATOM 1077 C GLU A 73 -1.313 -6.461 4.127 1.00 0.00 C ATOM 1078 O GLU A 73 -0.516 -7.398 4.164 1.00 0.00 O ATOM 1079 CB GLU A 73 -3.414 -7.242 3.015 1.00 0.00 C ATOM 1080 CG GLU A 73 -4.338 -7.189 1.810 1.00 0.00 C ATOM 1081 CD GLU A 73 -5.670 -7.867 2.066 1.00 0.00 C ATOM 1082 OE1 GLU A 73 -5.751 -9.101 1.888 1.00 0.00 O ATOM 1083 OE2 GLU A 73 -6.630 -7.165 2.444 1.00 0.00 O ATOM 0 H GLU A 73 -1.006 -7.337 1.612 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.620 -5.246 2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.028 -8.256 3.122 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.990 -7.024 3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.511 -6.149 1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.849 -7.666 0.961 1.00 0.00 H new ATOM 1090 N VAL A 74 -1.425 -5.568 5.105 1.00 0.00 N ATOM 1091 CA VAL A 74 -0.601 -5.640 6.305 1.00 0.00 C ATOM 1092 C VAL A 74 -1.360 -5.132 7.526 1.00 0.00 C ATOM 1093 O VAL A 74 -2.259 -4.301 7.408 1.00 0.00 O ATOM 1094 CB VAL A 74 0.696 -4.825 6.145 1.00 0.00 C ATOM 1095 CG1 VAL A 74 1.788 -5.675 5.514 1.00 0.00 C ATOM 1096 CG2 VAL A 74 0.439 -3.574 5.318 1.00 0.00 C ATOM 0 H VAL A 74 -2.079 -4.786 5.089 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.347 -6.690 6.451 1.00 0.00 H new ATOM 0 HB VAL A 74 1.035 -4.517 7.134 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.696 -5.081 5.409 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.990 -6.538 6.149 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.462 -6.016 4.531 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.366 -3.010 5.215 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.075 -3.859 4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.309 -2.956 5.816 1.00 0.00 H new ATOM 1106 N GLY A 75 -0.991 -5.638 8.698 1.00 0.00 N ATOM 1107 CA GLY A 75 -1.647 -5.224 9.925 1.00 0.00 C ATOM 1108 C GLY A 75 -0.857 -4.173 10.678 1.00 0.00 C ATOM 1109 O GLY A 75 0.081 -3.588 10.138 1.00 0.00 O ATOM 0 H GLY A 75 -0.249 -6.327 8.820 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.636 -4.831 9.690 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.793 -6.093 10.566 1.00 0.00 H new ATOM 1113 N GLN A 76 -1.239 -3.932 11.929 1.00 0.00 N ATOM 1114 CA GLN A 76 -0.560 -2.942 12.756 1.00 0.00 C ATOM 1115 C GLN A 76 0.917 -3.288 12.919 1.00 0.00 C ATOM 1116 O GLN A 76 1.767 -2.403 12.993 1.00 0.00 O ATOM 1117 CB GLN A 76 -1.228 -2.849 14.129 1.00 0.00 C ATOM 1118 CG GLN A 76 -1.335 -4.186 14.846 1.00 0.00 C ATOM 1119 CD GLN A 76 -2.627 -4.914 14.533 1.00 0.00 C ATOM 1120 OE1 GLN A 76 -3.718 -4.412 14.808 1.00 0.00 O ATOM 1121 NE2 GLN A 76 -2.512 -6.104 13.956 1.00 0.00 N ATOM 0 H GLN A 76 -2.014 -4.408 12.391 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.635 -1.976 12.256 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.663 -2.156 14.752 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.227 -2.429 14.010 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.491 -4.814 14.563 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.265 -4.024 15.922 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -1.588 -6.482 13.746 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.348 -6.641 13.723 1.00 0.00 H new ATOM 1130 N ASN A 77 1.213 -4.583 12.975 1.00 0.00 N ATOM 1131 CA ASN A 77 2.587 -5.046 13.130 1.00 0.00 C ATOM 1132 C ASN A 77 3.297 -5.104 11.781 1.00 0.00 C ATOM 1133 O ASN A 77 3.065 -6.011 10.984 1.00 0.00 O ATOM 1134 CB ASN A 77 2.610 -6.426 13.791 1.00 0.00 C ATOM 1135 CG ASN A 77 1.531 -7.344 13.251 1.00 0.00 C ATOM 1136 OD1 ASN A 77 1.341 -7.452 12.039 1.00 0.00 O ATOM 1137 ND2 ASN A 77 0.817 -8.011 14.150 1.00 0.00 N ATOM 0 H ASN A 77 0.520 -5.329 12.915 1.00 0.00 H new ATOM 0 HA ASN A 77 3.114 -4.336 13.767 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.586 -6.885 13.633 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.481 -6.312 14.867 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.077 -8.643 13.846 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.009 -7.891 15.145 1.00 0.00 H new ATOM 1144 N GLY A 78 4.165 -4.127 11.533 1.00 0.00 N ATOM 1145 CA GLY A 78 4.896 -4.085 10.281 1.00 0.00 C ATOM 1146 C GLY A 78 5.191 -2.669 9.828 1.00 0.00 C ATOM 1147 O GLY A 78 4.619 -2.191 8.849 1.00 0.00 O ATOM 0 H GLY A 78 4.374 -3.364 12.177 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.833 -4.630 10.393 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.320 -4.597 9.510 1.00 0.00 H new ATOM 1151 N SER A 79 6.085 -1.994 10.544 1.00 0.00 N ATOM 1152 CA SER A 79 6.450 -0.622 10.214 1.00 0.00 C ATOM 1153 C SER A 79 6.943 -0.522 8.774 1.00 0.00 C ATOM 1154 O SER A 79 6.863 0.537 8.151 1.00 0.00 O ATOM 1155 CB SER A 79 7.531 -0.115 11.171 1.00 0.00 C ATOM 1156 OG SER A 79 7.118 -0.245 12.521 1.00 0.00 O ATOM 0 H SER A 79 6.570 -2.375 11.356 1.00 0.00 H new ATOM 0 HA SER A 79 5.561 -0.001 10.319 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.453 -0.675 11.014 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.752 0.930 10.954 1.00 0.00 H new ATOM 0 HG SER A 79 7.826 0.084 13.113 1.00 0.00 H new ATOM 1162 N ARG A 80 7.453 -1.632 8.252 1.00 0.00 N ATOM 1163 CA ARG A 80 7.961 -1.671 6.885 1.00 0.00 C ATOM 1164 C ARG A 80 7.333 -2.822 6.105 1.00 0.00 C ATOM 1165 O ARG A 80 6.795 -3.762 6.690 1.00 0.00 O ATOM 1166 CB ARG A 80 9.484 -1.814 6.888 1.00 0.00 C ATOM 1167 CG ARG A 80 9.960 -3.256 6.956 1.00 0.00 C ATOM 1168 CD ARG A 80 9.573 -3.909 8.273 1.00 0.00 C ATOM 1169 NE ARG A 80 10.412 -5.064 8.579 1.00 0.00 N ATOM 1170 CZ ARG A 80 10.456 -5.646 9.773 1.00 0.00 C ATOM 1171 NH1 ARG A 80 9.711 -5.182 10.767 1.00 0.00 N ATOM 1172 NH2 ARG A 80 11.245 -6.693 9.973 1.00 0.00 N ATOM 0 H ARG A 80 7.526 -2.517 8.754 1.00 0.00 H new ATOM 0 HA ARG A 80 7.692 -0.734 6.397 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.886 -1.350 5.987 1.00 0.00 H new ATOM 0 HB3 ARG A 80 9.890 -1.266 7.738 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.531 -3.821 6.129 1.00 0.00 H new ATOM 0 HG3 ARG A 80 11.043 -3.289 6.837 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.655 -3.178 9.078 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.529 -4.220 8.230 1.00 0.00 H new ATOM 0 HE ARG A 80 10.997 -5.445 7.835 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.103 -4.377 10.616 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.746 -5.630 11.683 1.00 0.00 H new ATOM 0 HH21 ARG A 80 11.819 -7.052 9.210 1.00 0.00 H new ATOM 0 HH22 ARG A 80 11.278 -7.139 10.890 1.00 0.00 H new ATOM 1186 N ALA A 81 7.404 -2.740 4.780 1.00 0.00 N ATOM 1187 CA ALA A 81 6.845 -3.775 3.919 1.00 0.00 C ATOM 1188 C ALA A 81 7.741 -4.029 2.712 1.00 0.00 C ATOM 1189 O ALA A 81 8.484 -3.146 2.282 1.00 0.00 O ATOM 1190 CB ALA A 81 5.445 -3.385 3.467 1.00 0.00 C ATOM 0 H ALA A 81 7.843 -1.967 4.280 1.00 0.00 H new ATOM 0 HA ALA A 81 6.786 -4.699 4.494 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.039 -4.167 2.825 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.802 -3.262 4.339 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.489 -2.447 2.913 1.00 0.00 H new ATOM 1196 N ARG A 82 7.667 -5.240 2.171 1.00 0.00 N ATOM 1197 CA ARG A 82 8.474 -5.611 1.014 1.00 0.00 C ATOM 1198 C ARG A 82 7.642 -6.387 -0.003 1.00 0.00 C ATOM 1199 O ARG A 82 6.682 -7.068 0.357 1.00 0.00 O ATOM 1200 CB ARG A 82 9.676 -6.449 1.452 1.00 0.00 C ATOM 1201 CG ARG A 82 10.666 -6.727 0.332 1.00 0.00 C ATOM 1202 CD ARG A 82 11.500 -7.965 0.620 1.00 0.00 C ATOM 1203 NE ARG A 82 10.705 -9.189 0.550 1.00 0.00 N ATOM 1204 CZ ARG A 82 11.155 -10.380 0.929 1.00 0.00 C ATOM 1205 NH1 ARG A 82 12.387 -10.507 1.403 1.00 0.00 N ATOM 1206 NH2 ARG A 82 10.372 -11.447 0.835 1.00 0.00 N ATOM 0 H ARG A 82 7.057 -5.981 2.515 1.00 0.00 H new ATOM 0 HA ARG A 82 8.831 -4.695 0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.192 -5.933 2.262 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.320 -7.397 1.854 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.127 -6.860 -0.606 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.323 -5.867 0.203 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.320 -8.024 -0.095 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.947 -7.879 1.611 1.00 0.00 H new ATOM 0 HE ARG A 82 9.753 -9.125 0.191 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.992 -9.689 1.477 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.730 -11.423 1.693 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.424 -11.353 0.471 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.718 -12.361 1.126 1.00 0.00 H new ATOM 1220 N ILE A 83 8.018 -6.278 -1.272 1.00 0.00 N ATOM 1221 CA ILE A 83 7.307 -6.970 -2.341 1.00 0.00 C ATOM 1222 C ILE A 83 8.274 -7.484 -3.402 1.00 0.00 C ATOM 1223 O ILE A 83 9.308 -6.870 -3.663 1.00 0.00 O ATOM 1224 CB ILE A 83 6.267 -6.053 -3.011 1.00 0.00 C ATOM 1225 CG1 ILE A 83 5.737 -5.028 -2.007 1.00 0.00 C ATOM 1226 CG2 ILE A 83 5.126 -6.878 -3.586 1.00 0.00 C ATOM 1227 CD1 ILE A 83 4.875 -3.955 -2.636 1.00 0.00 C ATOM 0 H ILE A 83 8.810 -5.718 -1.586 1.00 0.00 H new ATOM 0 HA ILE A 83 6.793 -7.815 -1.882 1.00 0.00 H new ATOM 0 HB ILE A 83 6.750 -5.517 -3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.158 -5.546 -1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.580 -4.556 -1.503 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.399 -6.216 -4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.518 -7.573 -4.329 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.642 -7.438 -2.785 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.535 -3.264 -1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.457 -3.411 -3.380 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.012 -4.417 -3.116 1.00 0.00 H new ATOM 1239 N SER A 84 7.929 -8.614 -4.011 1.00 0.00 N ATOM 1240 CA SER A 84 8.768 -9.212 -5.043 1.00 0.00 C ATOM 1241 C SER A 84 8.443 -8.627 -6.414 1.00 0.00 C ATOM 1242 O SER A 84 7.395 -8.915 -6.992 1.00 0.00 O ATOM 1243 CB SER A 84 8.580 -10.730 -5.066 1.00 0.00 C ATOM 1244 OG SER A 84 9.099 -11.326 -3.890 1.00 0.00 O ATOM 0 H SER A 84 7.075 -9.133 -3.808 1.00 0.00 H new ATOM 0 HA SER A 84 9.808 -8.985 -4.808 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.520 -10.967 -5.160 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.079 -11.148 -5.940 1.00 0.00 H new ATOM 0 HG SER A 84 9.779 -10.739 -3.498 1.00 0.00 H new ATOM 1250 N VAL A 85 9.349 -7.803 -6.929 1.00 0.00 N ATOM 1251 CA VAL A 85 9.161 -7.177 -8.233 1.00 0.00 C ATOM 1252 C VAL A 85 8.450 -8.120 -9.197 1.00 0.00 C ATOM 1253 O VAL A 85 8.979 -9.173 -9.553 1.00 0.00 O ATOM 1254 CB VAL A 85 10.505 -6.747 -8.849 1.00 0.00 C ATOM 1255 CG1 VAL A 85 10.299 -6.197 -10.252 1.00 0.00 C ATOM 1256 CG2 VAL A 85 11.194 -5.722 -7.961 1.00 0.00 C ATOM 0 H VAL A 85 10.221 -7.553 -6.463 1.00 0.00 H new ATOM 0 HA VAL A 85 8.545 -6.292 -8.074 1.00 0.00 H new ATOM 0 HB VAL A 85 11.149 -7.624 -8.920 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.260 -5.899 -10.671 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.852 -6.966 -10.882 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.637 -5.332 -10.210 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.142 -5.429 -8.412 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.556 -4.844 -7.856 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.378 -6.157 -6.979 1.00 0.00 H new ATOM 1266 N GLN A 86 7.250 -7.734 -9.618 1.00 0.00 N ATOM 1267 CA GLN A 86 6.467 -8.545 -10.542 1.00 0.00 C ATOM 1268 C GLN A 86 6.776 -8.175 -11.988 1.00 0.00 C ATOM 1269 O GLN A 86 6.610 -8.988 -12.898 1.00 0.00 O ATOM 1270 CB GLN A 86 4.972 -8.370 -10.267 1.00 0.00 C ATOM 1271 CG GLN A 86 4.611 -8.453 -8.792 1.00 0.00 C ATOM 1272 CD GLN A 86 4.532 -9.881 -8.289 1.00 0.00 C ATOM 1273 OE1 GLN A 86 4.487 -10.826 -9.077 1.00 0.00 O ATOM 1274 NE2 GLN A 86 4.517 -10.045 -6.972 1.00 0.00 N ATOM 0 H GLN A 86 6.799 -6.864 -9.334 1.00 0.00 H new ATOM 0 HA GLN A 86 6.738 -9.589 -10.388 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.650 -7.405 -10.658 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.419 -9.135 -10.812 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.353 -7.907 -8.209 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.652 -7.961 -8.628 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.556 -9.233 -6.356 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.467 -10.983 -6.575 1.00 0.00 H new ATOM 1283 N VAL A 87 7.228 -6.942 -12.195 1.00 0.00 N ATOM 1284 CA VAL A 87 7.562 -6.464 -13.531 1.00 0.00 C ATOM 1285 C VAL A 87 8.757 -5.518 -13.494 1.00 0.00 C ATOM 1286 O VAL A 87 8.871 -4.679 -12.600 1.00 0.00 O ATOM 1287 CB VAL A 87 6.368 -5.739 -14.182 1.00 0.00 C ATOM 1288 CG1 VAL A 87 6.838 -4.868 -15.337 1.00 0.00 C ATOM 1289 CG2 VAL A 87 5.327 -6.744 -14.651 1.00 0.00 C ATOM 0 H VAL A 87 7.371 -6.256 -11.454 1.00 0.00 H new ATOM 0 HA VAL A 87 7.815 -7.341 -14.127 1.00 0.00 H new ATOM 0 HB VAL A 87 5.906 -5.093 -13.436 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.981 -4.364 -15.785 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.545 -4.125 -14.968 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.325 -5.491 -16.087 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.491 -6.215 -15.108 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.774 -7.417 -15.383 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.969 -7.321 -13.799 1.00 0.00 H new ATOM 1299 N HIS A 88 9.647 -5.659 -14.471 1.00 0.00 N ATOM 1300 CA HIS A 88 10.835 -4.816 -14.551 1.00 0.00 C ATOM 1301 C HIS A 88 10.709 -3.807 -15.688 1.00 0.00 C ATOM 1302 O HIS A 88 9.981 -4.033 -16.654 1.00 0.00 O ATOM 1303 CB HIS A 88 12.083 -5.676 -14.753 1.00 0.00 C ATOM 1304 CG HIS A 88 12.543 -6.366 -13.506 1.00 0.00 C ATOM 1305 ND1 HIS A 88 12.544 -7.738 -13.362 1.00 0.00 N ATOM 1306 CD2 HIS A 88 13.019 -5.866 -12.342 1.00 0.00 C ATOM 1307 CE1 HIS A 88 13.001 -8.051 -12.162 1.00 0.00 C ATOM 1308 NE2 HIS A 88 13.296 -6.934 -11.523 1.00 0.00 N ATOM 0 H HIS A 88 9.568 -6.349 -15.218 1.00 0.00 H new ATOM 0 HA HIS A 88 10.927 -4.270 -13.612 1.00 0.00 H new ATOM 0 HB2 HIS A 88 11.878 -6.425 -15.518 1.00 0.00 H new ATOM 0 HB3 HIS A 88 12.890 -5.048 -15.130 1.00 0.00 H new ATOM 0 HD2 HIS A 88 13.156 -4.822 -12.102 1.00 0.00 H new ATOM 0 HE1 HIS A 88 13.114 -9.051 -11.770 1.00 0.00 H new ATOM 0 HE2 HIS A 88 13.669 -6.874 -10.576 1.00 0.00 H new ATOM 1317 N ASN A 89 11.422 -2.692 -15.565 1.00 0.00 N ATOM 1318 CA ASN A 89 11.389 -1.647 -16.582 1.00 0.00 C ATOM 1319 C ASN A 89 9.982 -1.077 -16.730 1.00 0.00 C ATOM 1320 O ASN A 89 9.525 -0.806 -17.840 1.00 0.00 O ATOM 1321 CB ASN A 89 11.873 -2.198 -17.925 1.00 0.00 C ATOM 1322 CG ASN A 89 12.201 -1.098 -18.916 1.00 0.00 C ATOM 1323 OD1 ASN A 89 11.309 -0.522 -19.539 1.00 0.00 O ATOM 1324 ND2 ASN A 89 13.486 -0.802 -19.067 1.00 0.00 N ATOM 0 H ASN A 89 12.030 -2.489 -14.771 1.00 0.00 H new ATOM 0 HA ASN A 89 12.055 -0.845 -16.265 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.758 -2.814 -17.764 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.105 -2.846 -18.347 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.768 -0.071 -19.720 1.00 0.00 H new ATOM 0 HD22 ASN A 89 14.192 -1.305 -18.530 1.00 0.00 H new ATOM 1331 N ALA A 90 9.300 -0.898 -15.603 1.00 0.00 N ATOM 1332 CA ALA A 90 7.946 -0.358 -15.608 1.00 0.00 C ATOM 1333 C ALA A 90 7.751 0.643 -14.474 1.00 0.00 C ATOM 1334 O ALA A 90 8.540 0.690 -13.530 1.00 0.00 O ATOM 1335 CB ALA A 90 6.928 -1.484 -15.501 1.00 0.00 C ATOM 0 H ALA A 90 9.663 -1.119 -14.676 1.00 0.00 H new ATOM 0 HA ALA A 90 7.794 0.166 -16.551 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.921 -1.066 -15.506 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.044 -2.161 -16.347 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.089 -2.033 -14.573 1.00 0.00 H new ATOM 1341 N THR A 91 6.694 1.443 -14.572 1.00 0.00 N ATOM 1342 CA THR A 91 6.396 2.445 -13.556 1.00 0.00 C ATOM 1343 C THR A 91 5.408 1.907 -12.527 1.00 0.00 C ATOM 1344 O THR A 91 4.254 1.623 -12.849 1.00 0.00 O ATOM 1345 CB THR A 91 5.818 3.727 -14.184 1.00 0.00 C ATOM 1346 OG1 THR A 91 4.822 3.391 -15.157 1.00 0.00 O ATOM 1347 CG2 THR A 91 6.916 4.551 -14.839 1.00 0.00 C ATOM 0 H THR A 91 6.029 1.416 -15.345 1.00 0.00 H new ATOM 0 HA THR A 91 7.338 2.684 -13.062 1.00 0.00 H new ATOM 0 HB THR A 91 5.364 4.321 -13.391 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.335 2.593 -14.864 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.484 5.451 -15.276 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.657 4.831 -14.090 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.395 3.962 -15.621 1.00 0.00 H new ATOM 1355 N CYS A 92 5.868 1.769 -11.289 1.00 0.00 N ATOM 1356 CA CYS A 92 5.024 1.264 -10.211 1.00 0.00 C ATOM 1357 C CYS A 92 4.577 2.398 -9.294 1.00 0.00 C ATOM 1358 O CYS A 92 5.346 3.315 -9.001 1.00 0.00 O ATOM 1359 CB CYS A 92 5.773 0.204 -9.403 1.00 0.00 C ATOM 1360 SG CYS A 92 4.885 -0.369 -7.935 1.00 0.00 S ATOM 0 H CYS A 92 6.820 1.999 -11.006 1.00 0.00 H new ATOM 0 HA CYS A 92 4.139 0.811 -10.658 1.00 0.00 H new ATOM 0 HB2 CYS A 92 5.978 -0.651 -10.047 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.737 0.610 -9.096 1.00 0.00 H new ATOM 0 HG CYS A 92 3.667 -0.687 -8.261 1.00 0.00 H new ATOM 1366 N THR A 93 3.327 2.332 -8.846 1.00 0.00 N ATOM 1367 CA THR A 93 2.776 3.354 -7.965 1.00 0.00 C ATOM 1368 C THR A 93 2.453 2.779 -6.591 1.00 0.00 C ATOM 1369 O THR A 93 1.582 1.919 -6.455 1.00 0.00 O ATOM 1370 CB THR A 93 1.500 3.979 -8.560 1.00 0.00 C ATOM 1371 OG1 THR A 93 1.573 3.975 -9.990 1.00 0.00 O ATOM 1372 CG2 THR A 93 1.313 5.404 -8.061 1.00 0.00 C ATOM 0 H THR A 93 2.677 1.581 -9.079 1.00 0.00 H new ATOM 0 HA THR A 93 3.537 4.127 -7.862 1.00 0.00 H new ATOM 0 HB THR A 93 0.646 3.383 -8.239 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.757 4.372 -10.360 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.406 5.825 -8.494 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.229 5.401 -6.974 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.171 6.008 -8.356 1.00 0.00 H new ATOM 1380 N VAL A 94 3.159 3.259 -5.572 1.00 0.00 N ATOM 1381 CA VAL A 94 2.946 2.794 -4.207 1.00 0.00 C ATOM 1382 C VAL A 94 2.000 3.722 -3.452 1.00 0.00 C ATOM 1383 O VAL A 94 2.132 4.944 -3.515 1.00 0.00 O ATOM 1384 CB VAL A 94 4.275 2.694 -3.434 1.00 0.00 C ATOM 1385 CG1 VAL A 94 4.051 2.066 -2.067 1.00 0.00 C ATOM 1386 CG2 VAL A 94 5.297 1.902 -4.234 1.00 0.00 C ATOM 0 H VAL A 94 3.884 3.970 -5.666 1.00 0.00 H new ATOM 0 HA VAL A 94 2.499 1.802 -4.276 1.00 0.00 H new ATOM 0 HB VAL A 94 4.666 3.700 -3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.000 2.003 -1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.354 2.679 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.637 1.065 -2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.230 1.841 -3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.917 0.897 -4.416 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.478 2.400 -5.187 1.00 0.00 H new ATOM 1396 N ARG A 95 1.047 3.132 -2.738 1.00 0.00 N ATOM 1397 CA ARG A 95 0.078 3.905 -1.971 1.00 0.00 C ATOM 1398 C ARG A 95 -0.281 3.191 -0.671 1.00 0.00 C ATOM 1399 O ARG A 95 -0.609 2.004 -0.674 1.00 0.00 O ATOM 1400 CB ARG A 95 -1.186 4.144 -2.799 1.00 0.00 C ATOM 1401 CG ARG A 95 -0.990 5.133 -3.937 1.00 0.00 C ATOM 1402 CD ARG A 95 -1.273 6.559 -3.492 1.00 0.00 C ATOM 1403 NE ARG A 95 -2.696 6.785 -3.254 1.00 0.00 N ATOM 1404 CZ ARG A 95 -3.609 6.803 -4.219 1.00 0.00 C ATOM 1405 NH1 ARG A 95 -3.249 6.608 -5.480 1.00 0.00 N ATOM 1406 NH2 ARG A 95 -4.885 7.016 -3.924 1.00 0.00 N ATOM 0 H ARG A 95 0.925 2.121 -2.675 1.00 0.00 H new ATOM 0 HA ARG A 95 0.531 4.866 -1.725 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.527 3.193 -3.209 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.976 4.509 -2.143 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.032 5.063 -4.309 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.649 4.872 -4.765 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.715 6.772 -2.580 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.918 7.254 -4.253 1.00 0.00 H new ATOM 0 HE ARG A 95 -3.006 6.937 -2.294 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -2.269 6.444 -5.711 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -3.952 6.622 -6.219 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -5.166 7.166 -2.955 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -5.585 7.030 -4.666 1.00 0.00 H new ATOM 1420 N ILE A 96 -0.215 3.921 0.437 1.00 0.00 N ATOM 1421 CA ILE A 96 -0.534 3.358 1.743 1.00 0.00 C ATOM 1422 C ILE A 96 -1.704 4.093 2.388 1.00 0.00 C ATOM 1423 O ILE A 96 -1.860 5.302 2.220 1.00 0.00 O ATOM 1424 CB ILE A 96 0.679 3.414 2.691 1.00 0.00 C ATOM 1425 CG1 ILE A 96 1.935 2.907 1.979 1.00 0.00 C ATOM 1426 CG2 ILE A 96 0.409 2.598 3.945 1.00 0.00 C ATOM 1427 CD1 ILE A 96 3.032 2.473 2.925 1.00 0.00 C ATOM 0 H ILE A 96 0.057 4.904 0.456 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.809 2.316 1.579 1.00 0.00 H new ATOM 0 HB ILE A 96 0.844 4.451 2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 96 1.666 2.067 1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.317 3.694 1.329 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.275 2.647 4.605 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -0.463 3.001 4.460 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.221 1.560 3.670 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.891 2.126 2.351 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.329 3.316 3.549 1.00 0.00 H new ATOM 0 HD13 ILE A 96 2.668 1.664 3.558 1.00 0.00 H new ATOM 1439 N ALA A 97 -2.523 3.354 3.129 1.00 0.00 N ATOM 1440 CA ALA A 97 -3.677 3.935 3.803 1.00 0.00 C ATOM 1441 C ALA A 97 -3.885 3.306 5.177 1.00 0.00 C ATOM 1442 O ALA A 97 -3.813 2.087 5.329 1.00 0.00 O ATOM 1443 CB ALA A 97 -4.926 3.770 2.950 1.00 0.00 C ATOM 0 H ALA A 97 -2.408 2.351 3.278 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.486 4.999 3.945 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.780 4.209 3.466 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.783 4.273 1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.112 2.710 2.778 1.00 0.00 H new ATOM 1449 N ALA A 98 -4.143 4.145 6.174 1.00 0.00 N ATOM 1450 CA ALA A 98 -4.363 3.671 7.535 1.00 0.00 C ATOM 1451 C ALA A 98 -5.792 3.172 7.718 1.00 0.00 C ATOM 1452 O ALA A 98 -6.752 3.890 7.438 1.00 0.00 O ATOM 1453 CB ALA A 98 -4.055 4.775 8.535 1.00 0.00 C ATOM 0 H ALA A 98 -4.205 5.157 6.065 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.688 2.834 7.715 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.224 4.407 9.547 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -3.014 5.082 8.429 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -4.706 5.629 8.346 1.00 0.00 H new ATOM 1459 N VAL A 99 -5.927 1.936 8.188 1.00 0.00 N ATOM 1460 CA VAL A 99 -7.240 1.341 8.409 1.00 0.00 C ATOM 1461 C VAL A 99 -7.475 1.063 9.889 1.00 0.00 C ATOM 1462 O VAL A 99 -6.531 0.842 10.650 1.00 0.00 O ATOM 1463 CB VAL A 99 -7.401 0.028 7.620 1.00 0.00 C ATOM 1464 CG1 VAL A 99 -7.162 0.265 6.136 1.00 0.00 C ATOM 1465 CG2 VAL A 99 -6.456 -1.036 8.157 1.00 0.00 C ATOM 0 H VAL A 99 -5.143 1.327 8.423 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.978 2.062 8.056 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.423 -0.329 7.747 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.280 -0.673 5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.883 0.992 5.763 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.152 0.646 5.986 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.584 -1.957 7.588 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.427 -0.690 8.062 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.680 -1.225 9.207 1.00 0.00 H new ATOM 1475 N THR A 100 -8.741 1.074 10.294 1.00 0.00 N ATOM 1476 CA THR A 100 -9.102 0.824 11.684 1.00 0.00 C ATOM 1477 C THR A 100 -10.135 -0.292 11.792 1.00 0.00 C ATOM 1478 O THR A 100 -10.534 -0.881 10.787 1.00 0.00 O ATOM 1479 CB THR A 100 -9.661 2.092 12.356 1.00 0.00 C ATOM 1480 OG1 THR A 100 -10.875 2.494 11.712 1.00 0.00 O ATOM 1481 CG2 THR A 100 -8.649 3.227 12.297 1.00 0.00 C ATOM 0 H THR A 100 -9.534 1.254 9.678 1.00 0.00 H new ATOM 0 HA THR A 100 -8.189 0.522 12.198 1.00 0.00 H new ATOM 0 HB THR A 100 -9.865 1.862 13.402 1.00 0.00 H new ATOM 0 HG1 THR A 100 -11.250 3.271 12.176 1.00 0.00 H new ATOM 0 HG21 THR A 100 -9.066 4.112 12.778 1.00 0.00 H new ATOM 0 HG22 THR A 100 -7.737 2.929 12.814 1.00 0.00 H new ATOM 0 HG23 THR A 100 -8.418 3.455 11.256 1.00 0.00 H new ATOM 1489 N ARG A 101 -10.565 -0.578 13.016 1.00 0.00 N ATOM 1490 CA ARG A 101 -11.552 -1.624 13.254 1.00 0.00 C ATOM 1491 C ARG A 101 -12.942 -1.170 12.817 1.00 0.00 C ATOM 1492 O ARG A 101 -13.924 -1.890 12.990 1.00 0.00 O ATOM 1493 CB ARG A 101 -11.572 -2.008 14.735 1.00 0.00 C ATOM 1494 CG ARG A 101 -11.240 -0.855 15.668 1.00 0.00 C ATOM 1495 CD ARG A 101 -11.805 -1.085 17.061 1.00 0.00 C ATOM 1496 NE ARG A 101 -11.715 0.112 17.893 1.00 0.00 N ATOM 1497 CZ ARG A 101 -12.547 1.142 17.791 1.00 0.00 C ATOM 1498 NH1 ARG A 101 -13.527 1.122 16.898 1.00 0.00 N ATOM 1499 NH2 ARG A 101 -12.400 2.196 18.584 1.00 0.00 N ATOM 0 H ARG A 101 -10.245 -0.100 13.858 1.00 0.00 H new ATOM 0 HA ARG A 101 -11.271 -2.495 12.663 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -12.559 -2.396 14.988 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -10.860 -2.816 14.902 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.158 -0.734 15.728 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.642 0.072 15.260 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -12.847 -1.395 16.983 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.265 -1.901 17.541 1.00 0.00 H new ATOM 0 HE ARG A 101 -10.972 0.159 18.591 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -13.644 0.314 16.287 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -14.164 1.915 16.822 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -11.648 2.215 19.272 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -13.039 2.987 18.505 1.00 0.00 H new ATOM 1513 N GLY A 102 -13.016 0.031 12.251 1.00 0.00 N ATOM 1514 CA GLY A 102 -14.289 0.560 11.798 1.00 0.00 C ATOM 1515 C GLY A 102 -14.369 0.668 10.288 1.00 0.00 C ATOM 1516 O GLY A 102 -15.360 0.265 9.681 1.00 0.00 O ATOM 0 H GLY A 102 -12.217 0.647 12.098 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.094 -0.082 12.156 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.447 1.545 12.238 1.00 0.00 H new ATOM 1520 N GLY A 103 -13.321 1.216 9.680 1.00 0.00 N ATOM 1521 CA GLY A 103 -13.297 1.368 8.237 1.00 0.00 C ATOM 1522 C GLY A 103 -11.904 1.641 7.705 1.00 0.00 C ATOM 1523 O GLY A 103 -10.937 1.675 8.466 1.00 0.00 O ATOM 0 H GLY A 103 -12.489 1.557 10.161 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -13.689 0.463 7.773 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -13.959 2.185 7.950 1.00 0.00 H new ATOM 1527 N VAL A 104 -11.800 1.835 6.394 1.00 0.00 N ATOM 1528 CA VAL A 104 -10.515 2.106 5.761 1.00 0.00 C ATOM 1529 C VAL A 104 -10.338 3.596 5.491 1.00 0.00 C ATOM 1530 O VAL A 104 -11.303 4.304 5.206 1.00 0.00 O ATOM 1531 CB VAL A 104 -10.368 1.334 4.436 1.00 0.00 C ATOM 1532 CG1 VAL A 104 -9.153 1.824 3.664 1.00 0.00 C ATOM 1533 CG2 VAL A 104 -10.275 -0.162 4.699 1.00 0.00 C ATOM 0 H VAL A 104 -12.590 1.809 5.750 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.744 1.772 6.455 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.253 1.519 3.828 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -9.066 1.267 2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.266 2.886 3.444 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -8.255 1.671 4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -10.172 -0.692 3.752 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.408 -0.368 5.327 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.179 -0.499 5.207 1.00 0.00 H new ATOM 1543 N GLY A 105 -9.098 4.065 5.582 1.00 0.00 N ATOM 1544 CA GLY A 105 -8.816 5.469 5.344 1.00 0.00 C ATOM 1545 C GLY A 105 -8.246 5.720 3.962 1.00 0.00 C ATOM 1546 O GLY A 105 -7.918 4.790 3.224 1.00 0.00 O ATOM 0 H GLY A 105 -8.283 3.498 5.816 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.733 6.046 5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.112 5.827 6.095 1.00 0.00 H new ATOM 1550 N PRO A 106 -8.121 7.003 3.593 1.00 0.00 N ATOM 1551 CA PRO A 106 -7.587 7.404 2.288 1.00 0.00 C ATOM 1552 C PRO A 106 -6.094 7.120 2.161 1.00 0.00 C ATOM 1553 O PRO A 106 -5.347 7.224 3.134 1.00 0.00 O ATOM 1554 CB PRO A 106 -7.850 8.911 2.244 1.00 0.00 C ATOM 1555 CG PRO A 106 -7.905 9.328 3.673 1.00 0.00 C ATOM 1556 CD PRO A 106 -8.491 8.163 4.422 1.00 0.00 C ATOM 0 HA PRO A 106 -8.052 6.853 1.471 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -7.058 9.435 1.709 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.785 9.135 1.730 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -6.911 9.572 4.047 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.519 10.220 3.796 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -8.080 8.085 5.429 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -9.572 8.255 4.525 1.00 0.00 H new ATOM 1564 N PHE A 107 -5.665 6.761 0.955 1.00 0.00 N ATOM 1565 CA PHE A 107 -4.261 6.462 0.701 1.00 0.00 C ATOM 1566 C PHE A 107 -3.443 7.745 0.587 1.00 0.00 C ATOM 1567 O PHE A 107 -3.987 8.819 0.329 1.00 0.00 O ATOM 1568 CB PHE A 107 -4.117 5.636 -0.579 1.00 0.00 C ATOM 1569 CG PHE A 107 -4.640 4.234 -0.450 1.00 0.00 C ATOM 1570 CD1 PHE A 107 -5.989 4.001 -0.235 1.00 0.00 C ATOM 1571 CD2 PHE A 107 -3.783 3.150 -0.545 1.00 0.00 C ATOM 1572 CE1 PHE A 107 -6.473 2.712 -0.116 1.00 0.00 C ATOM 1573 CE2 PHE A 107 -4.261 1.858 -0.426 1.00 0.00 C ATOM 1574 CZ PHE A 107 -5.608 1.639 -0.213 1.00 0.00 C ATOM 0 H PHE A 107 -6.270 6.670 0.139 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.881 5.884 1.543 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.646 6.140 -1.388 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.065 5.598 -0.861 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -6.670 4.836 -0.160 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.729 3.316 -0.714 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -7.526 2.544 0.053 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.582 1.021 -0.499 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.984 0.631 -0.122 1.00 0.00 H new ATOM 1584 N SER A 108 -2.134 7.625 0.781 1.00 0.00 N ATOM 1585 CA SER A 108 -1.241 8.775 0.705 1.00 0.00 C ATOM 1586 C SER A 108 -0.965 9.153 -0.747 1.00 0.00 C ATOM 1587 O SER A 108 -1.545 8.581 -1.670 1.00 0.00 O ATOM 1588 CB SER A 108 0.075 8.474 1.424 1.00 0.00 C ATOM 1589 OG SER A 108 0.790 7.441 0.769 1.00 0.00 O ATOM 0 H SER A 108 -1.668 6.743 0.992 1.00 0.00 H new ATOM 0 HA SER A 108 -1.730 9.617 1.195 1.00 0.00 H new ATOM 0 HB2 SER A 108 0.686 9.376 1.462 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.128 8.183 2.454 1.00 0.00 H new ATOM 0 HG SER A 108 1.752 7.574 0.901 1.00 0.00 H new ATOM 1595 N ASP A 109 -0.076 10.121 -0.941 1.00 0.00 N ATOM 1596 CA ASP A 109 0.279 10.576 -2.280 1.00 0.00 C ATOM 1597 C ASP A 109 0.924 9.451 -3.084 1.00 0.00 C ATOM 1598 O ASP A 109 1.718 8.663 -2.569 1.00 0.00 O ATOM 1599 CB ASP A 109 1.229 11.772 -2.201 1.00 0.00 C ATOM 1600 CG ASP A 109 2.081 11.918 -3.446 1.00 0.00 C ATOM 1601 OD1 ASP A 109 2.981 11.077 -3.651 1.00 0.00 O ATOM 1602 OD2 ASP A 109 1.848 12.874 -4.216 1.00 0.00 O ATOM 0 H ASP A 109 0.412 10.606 -0.188 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.636 10.882 -2.787 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.650 12.683 -2.052 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.877 11.661 -1.332 1.00 0.00 H new ATOM 1607 N PRO A 110 0.574 9.370 -4.376 1.00 0.00 N ATOM 1608 CA PRO A 110 1.107 8.345 -5.278 1.00 0.00 C ATOM 1609 C PRO A 110 2.584 8.557 -5.589 1.00 0.00 C ATOM 1610 O PRO A 110 2.994 9.646 -5.993 1.00 0.00 O ATOM 1611 CB PRO A 110 0.264 8.514 -6.545 1.00 0.00 C ATOM 1612 CG PRO A 110 -0.191 9.932 -6.510 1.00 0.00 C ATOM 1613 CD PRO A 110 -0.367 10.275 -5.057 1.00 0.00 C ATOM 0 HA PRO A 110 1.049 7.348 -4.841 1.00 0.00 H new ATOM 0 HB2 PRO A 110 0.850 8.308 -7.441 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.582 7.827 -6.552 1.00 0.00 H new ATOM 0 HG2 PRO A 110 0.541 10.588 -6.980 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -1.126 10.055 -7.056 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -0.132 11.321 -4.860 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.393 10.111 -4.727 1.00 0.00 H new ATOM 1621 N VAL A 111 3.381 7.510 -5.400 1.00 0.00 N ATOM 1622 CA VAL A 111 4.813 7.582 -5.662 1.00 0.00 C ATOM 1623 C VAL A 111 5.200 6.703 -6.847 1.00 0.00 C ATOM 1624 O VAL A 111 5.099 5.478 -6.785 1.00 0.00 O ATOM 1625 CB VAL A 111 5.632 7.152 -4.430 1.00 0.00 C ATOM 1626 CG1 VAL A 111 5.667 5.635 -4.315 1.00 0.00 C ATOM 1627 CG2 VAL A 111 7.040 7.722 -4.501 1.00 0.00 C ATOM 0 H VAL A 111 3.059 6.602 -5.066 1.00 0.00 H new ATOM 0 HA VAL A 111 5.040 8.622 -5.895 1.00 0.00 H new ATOM 0 HB VAL A 111 5.149 7.549 -3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 111 6.250 5.350 -3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.651 5.254 -4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 111 6.126 5.213 -5.209 1.00 0.00 H new ATOM 0 HG21 VAL A 111 7.604 7.408 -3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 111 7.536 7.357 -5.400 1.00 0.00 H new ATOM 0 HG23 VAL A 111 6.991 8.810 -4.531 1.00 0.00 H new ATOM 1637 N LYS A 112 5.643 7.338 -7.927 1.00 0.00 N ATOM 1638 CA LYS A 112 6.047 6.616 -9.127 1.00 0.00 C ATOM 1639 C LYS A 112 7.520 6.225 -9.058 1.00 0.00 C ATOM 1640 O LYS A 112 8.403 7.079 -9.147 1.00 0.00 O ATOM 1641 CB LYS A 112 5.793 7.470 -10.371 1.00 0.00 C ATOM 1642 CG LYS A 112 6.446 6.922 -11.629 1.00 0.00 C ATOM 1643 CD LYS A 112 6.472 7.959 -12.740 1.00 0.00 C ATOM 1644 CE LYS A 112 7.689 8.864 -12.628 1.00 0.00 C ATOM 1645 NZ LYS A 112 8.927 8.192 -13.111 1.00 0.00 N ATOM 0 H LYS A 112 5.731 8.352 -7.995 1.00 0.00 H new ATOM 0 HA LYS A 112 5.451 5.706 -9.190 1.00 0.00 H new ATOM 0 HB2 LYS A 112 4.718 7.548 -10.534 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.162 8.479 -10.190 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.464 6.604 -11.403 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.904 6.039 -11.967 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.478 7.457 -13.708 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.564 8.561 -12.699 1.00 0.00 H new ATOM 0 HE2 LYS A 112 7.520 9.773 -13.206 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.822 9.167 -11.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.705 8.881 -13.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.178 7.419 -12.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.764 7.806 -14.063 1.00 0.00 H new ATOM 1659 N ILE A 113 7.777 4.931 -8.899 1.00 0.00 N ATOM 1660 CA ILE A 113 9.143 4.429 -8.820 1.00 0.00 C ATOM 1661 C ILE A 113 9.536 3.701 -10.101 1.00 0.00 C ATOM 1662 O ILE A 113 8.861 2.764 -10.528 1.00 0.00 O ATOM 1663 CB ILE A 113 9.324 3.474 -7.625 1.00 0.00 C ATOM 1664 CG1 ILE A 113 10.586 2.629 -7.805 1.00 0.00 C ATOM 1665 CG2 ILE A 113 8.101 2.583 -7.469 1.00 0.00 C ATOM 1666 CD1 ILE A 113 11.208 2.186 -6.499 1.00 0.00 C ATOM 0 H ILE A 113 7.058 4.212 -8.822 1.00 0.00 H new ATOM 0 HA ILE A 113 9.790 5.296 -8.684 1.00 0.00 H new ATOM 0 HB ILE A 113 9.434 4.068 -6.718 1.00 0.00 H new ATOM 0 HG12 ILE A 113 10.342 1.748 -8.399 1.00 0.00 H new ATOM 0 HG13 ILE A 113 11.320 3.202 -8.371 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.244 1.914 -6.621 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.220 3.201 -7.299 1.00 0.00 H new ATOM 0 HG23 ILE A 113 7.962 1.994 -8.376 1.00 0.00 H new ATOM 0 HD11 ILE A 113 12.098 1.591 -6.703 1.00 0.00 H new ATOM 0 HD12 ILE A 113 11.484 3.062 -5.912 1.00 0.00 H new ATOM 0 HD13 ILE A 113 10.491 1.585 -5.940 1.00 0.00 H new ATOM 1678 N PHE A 114 10.634 4.137 -10.710 1.00 0.00 N ATOM 1679 CA PHE A 114 11.118 3.527 -11.942 1.00 0.00 C ATOM 1680 C PHE A 114 11.857 2.224 -11.650 1.00 0.00 C ATOM 1681 O PHE A 114 12.913 2.226 -11.017 1.00 0.00 O ATOM 1682 CB PHE A 114 12.041 4.494 -12.687 1.00 0.00 C ATOM 1683 CG PHE A 114 12.853 3.836 -13.766 1.00 0.00 C ATOM 1684 CD1 PHE A 114 14.031 3.175 -13.459 1.00 0.00 C ATOM 1685 CD2 PHE A 114 12.439 3.880 -15.088 1.00 0.00 C ATOM 1686 CE1 PHE A 114 14.781 2.568 -14.449 1.00 0.00 C ATOM 1687 CE2 PHE A 114 13.184 3.275 -16.082 1.00 0.00 C ATOM 1688 CZ PHE A 114 14.357 2.620 -15.763 1.00 0.00 C ATOM 0 H PHE A 114 11.205 4.911 -10.370 1.00 0.00 H new ATOM 0 HA PHE A 114 10.256 3.302 -12.570 1.00 0.00 H new ATOM 0 HB2 PHE A 114 11.441 5.289 -13.129 1.00 0.00 H new ATOM 0 HB3 PHE A 114 12.715 4.964 -11.971 1.00 0.00 H new ATOM 0 HD1 PHE A 114 14.368 3.133 -12.434 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.524 4.393 -15.344 1.00 0.00 H new ATOM 0 HE1 PHE A 114 15.697 2.054 -14.196 1.00 0.00 H new ATOM 0 HE2 PHE A 114 12.849 3.314 -17.108 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.942 2.149 -16.539 1.00 0.00 H new ATOM 1698 N ILE A 115 11.294 1.114 -12.115 1.00 0.00 N ATOM 1699 CA ILE A 115 11.899 -0.195 -11.905 1.00 0.00 C ATOM 1700 C ILE A 115 12.948 -0.493 -12.970 1.00 0.00 C ATOM 1701 O ILE A 115 12.641 -0.655 -14.151 1.00 0.00 O ATOM 1702 CB ILE A 115 10.840 -1.313 -11.916 1.00 0.00 C ATOM 1703 CG1 ILE A 115 9.591 -0.871 -11.151 1.00 0.00 C ATOM 1704 CG2 ILE A 115 11.410 -2.590 -11.317 1.00 0.00 C ATOM 1705 CD1 ILE A 115 9.812 -0.735 -9.661 1.00 0.00 C ATOM 0 H ILE A 115 10.420 1.095 -12.640 1.00 0.00 H new ATOM 0 HA ILE A 115 12.377 -0.168 -10.926 1.00 0.00 H new ATOM 0 HB ILE A 115 10.558 -1.514 -12.949 1.00 0.00 H new ATOM 0 HG12 ILE A 115 9.251 0.085 -11.548 1.00 0.00 H new ATOM 0 HG13 ILE A 115 8.793 -1.592 -11.327 1.00 0.00 H new ATOM 0 HG21 ILE A 115 10.649 -3.370 -11.332 1.00 0.00 H new ATOM 0 HG22 ILE A 115 12.272 -2.913 -11.901 1.00 0.00 H new ATOM 0 HG23 ILE A 115 11.718 -2.403 -10.288 1.00 0.00 H new ATOM 0 HD11 ILE A 115 8.885 -0.419 -9.183 1.00 0.00 H new ATOM 0 HD12 ILE A 115 10.123 -1.696 -9.250 1.00 0.00 H new ATOM 0 HD13 ILE A 115 10.588 0.007 -9.475 1.00 0.00 H new ATOM 1717 N PRO A 116 14.218 -0.570 -12.545 1.00 0.00 N ATOM 1718 CA PRO A 116 15.339 -0.852 -13.446 1.00 0.00 C ATOM 1719 C PRO A 116 15.322 -2.287 -13.961 1.00 0.00 C ATOM 1720 O PRO A 116 15.160 -3.231 -13.189 1.00 0.00 O ATOM 1721 CB PRO A 116 16.570 -0.614 -12.567 1.00 0.00 C ATOM 1722 CG PRO A 116 16.090 -0.841 -11.175 1.00 0.00 C ATOM 1723 CD PRO A 116 14.657 -0.388 -11.151 1.00 0.00 C ATOM 0 HA PRO A 116 15.310 -0.229 -14.340 1.00 0.00 H new ATOM 0 HB2 PRO A 116 17.378 -1.299 -12.824 1.00 0.00 H new ATOM 0 HB3 PRO A 116 16.957 0.397 -12.693 1.00 0.00 H new ATOM 0 HG2 PRO A 116 16.171 -1.893 -10.901 1.00 0.00 H new ATOM 0 HG3 PRO A 116 16.689 -0.278 -10.459 1.00 0.00 H new ATOM 0 HD2 PRO A 116 14.059 -0.983 -10.461 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.569 0.651 -10.835 1.00 0.00 H new ATOM 1731 N ALA A 117 15.491 -2.443 -15.270 1.00 0.00 N ATOM 1732 CA ALA A 117 15.498 -3.763 -15.887 1.00 0.00 C ATOM 1733 C ALA A 117 16.373 -4.733 -15.100 1.00 0.00 C ATOM 1734 O ALA A 117 17.146 -4.324 -14.233 1.00 0.00 O ATOM 1735 CB ALA A 117 15.975 -3.670 -17.329 1.00 0.00 C ATOM 0 H ALA A 117 15.625 -1.671 -15.923 1.00 0.00 H new ATOM 0 HA ALA A 117 14.477 -4.146 -15.878 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.975 -4.664 -17.777 1.00 0.00 H new ATOM 0 HB2 ALA A 117 15.307 -3.018 -17.892 1.00 0.00 H new ATOM 0 HB3 ALA A 117 16.985 -3.261 -17.352 1.00 0.00 H new