USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 765 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 74 CYS SG : rot 130:sc= -2.87 USER MOD Set 1.2: A 132 ASN : amide:sc= 0.604 K(o=-2.3,f=-10!) USER MOD Set 2.1: A 26 THR OG1 : rot -118:sc= 0.978 USER MOD Set 2.2: A 29 HIS : no HE2:sc= -2.19 K(o=-1.2,f=-6.2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0309 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.397 F(o=-1.4,f=-0.4) USER MOD Single : A 66 CYS SG : rot -169:sc= -0.159 USER MOD Single : A 72 THR OG1 : rot -130:sc= 0.473 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.024 X(o=-0.024,f=-0.45) USER MOD Single : A 83 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.087) USER MOD Single : A 87 MET CE :methyl -159:sc= -7.4! (180deg=-9.83!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 91:sc= -0.301 USER MOD Single : A 97 ASN : amide:sc= -0.0237 X(o=-0.024,f=0) USER MOD Single : A 98 SER OG : rot -67:sc= -1.94 USER MOD Single : A 102 MET CE :methyl -163:sc= -4.02! (180deg=-5.73!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 159:sc= -0.84! USER MOD Single : A 107 MET CE :methyl -133:sc= -0.306 (180deg=-1.98) USER MOD Single : A 113 LYS NZ :NH3+ 146:sc= 0.0368! (180deg=-1.34!) USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.477 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ -160:sc= -0.0268 (180deg=-0.314) USER MOD Single : A 131 ASN : amide:sc= -0.316 X(o=-0.32,f=-0.00031) USER MOD Single : A 134 SER OG : rot -150:sc= -0.0528 USER MOD ----------------------------------------------------------------- ATOM 205 N PHE A 16 16.526 0.170 -5.522 1.00 0.00 N ATOM 206 CA PHE A 16 15.082 0.091 -5.380 1.00 0.00 C ATOM 207 C PHE A 16 14.407 1.350 -5.929 1.00 0.00 C ATOM 208 O PHE A 16 15.037 2.401 -6.034 1.00 0.00 O ATOM 209 CB PHE A 16 14.785 -0.020 -3.883 1.00 0.00 C ATOM 210 CG PHE A 16 15.222 -1.347 -3.259 1.00 0.00 C ATOM 211 CD1 PHE A 16 16.539 -1.685 -3.232 1.00 0.00 C ATOM 212 CD2 PHE A 16 14.293 -2.189 -2.731 1.00 0.00 C ATOM 213 CE1 PHE A 16 16.944 -2.917 -2.653 1.00 0.00 C ATOM 214 CE2 PHE A 16 14.698 -3.420 -2.152 1.00 0.00 C ATOM 215 CZ PHE A 16 16.015 -3.758 -2.125 1.00 0.00 C ATOM 0 HA PHE A 16 14.700 -0.766 -5.936 1.00 0.00 H new ATOM 0 HB2 PHE A 16 15.285 0.797 -3.362 1.00 0.00 H new ATOM 0 HB3 PHE A 16 13.714 0.109 -3.725 1.00 0.00 H new ATOM 0 HD1 PHE A 16 17.277 -1.017 -3.651 1.00 0.00 H new ATOM 0 HD2 PHE A 16 13.247 -1.921 -2.752 1.00 0.00 H new ATOM 0 HE1 PHE A 16 17.990 -3.186 -2.632 1.00 0.00 H new ATOM 0 HE2 PHE A 16 13.960 -4.088 -1.733 1.00 0.00 H new ATOM 0 HZ PHE A 16 16.323 -4.695 -1.684 1.00 0.00 H new ATOM 225 N VAL A 17 13.134 1.201 -6.266 1.00 0.00 N ATOM 226 CA VAL A 17 12.367 2.313 -6.802 1.00 0.00 C ATOM 227 C VAL A 17 11.639 3.022 -5.659 1.00 0.00 C ATOM 228 O VAL A 17 11.725 2.600 -4.506 1.00 0.00 O ATOM 229 CB VAL A 17 11.421 1.816 -7.896 1.00 0.00 C ATOM 230 CG1 VAL A 17 10.309 0.946 -7.306 1.00 0.00 C ATOM 231 CG2 VAL A 17 10.838 2.987 -8.690 1.00 0.00 C ATOM 0 H VAL A 17 12.615 0.327 -6.178 1.00 0.00 H new ATOM 0 HA VAL A 17 13.028 3.043 -7.269 1.00 0.00 H new ATOM 0 HB VAL A 17 11.999 1.199 -8.584 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.650 0.606 -8.105 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.749 0.083 -6.806 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.735 1.529 -6.586 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.169 2.606 -9.462 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.282 3.641 -8.018 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.647 3.549 -9.157 1.00 0.00 H new ATOM 241 N LYS A 18 10.939 4.089 -6.017 1.00 0.00 N ATOM 242 CA LYS A 18 10.196 4.861 -5.036 1.00 0.00 C ATOM 243 C LYS A 18 8.727 4.936 -5.458 1.00 0.00 C ATOM 244 O LYS A 18 8.370 4.508 -6.554 1.00 0.00 O ATOM 245 CB LYS A 18 10.847 6.230 -4.827 1.00 0.00 C ATOM 246 CG LYS A 18 12.307 6.082 -4.394 1.00 0.00 C ATOM 247 CD LYS A 18 12.478 6.426 -2.913 1.00 0.00 C ATOM 248 CE LYS A 18 13.910 6.875 -2.616 1.00 0.00 C ATOM 249 NZ LYS A 18 14.388 6.276 -1.350 1.00 0.00 N ATOM 0 H LYS A 18 10.871 4.437 -6.973 1.00 0.00 H new ATOM 0 HA LYS A 18 10.224 4.369 -4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.794 6.807 -5.751 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.294 6.788 -4.071 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.642 5.060 -4.575 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.937 6.735 -4.998 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.781 7.217 -2.637 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.232 5.557 -2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.567 6.582 -3.435 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.950 7.962 -2.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.361 6.591 -1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.771 6.577 -0.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.368 5.239 -1.427 1.00 0.00 H new ATOM 263 N VAL A 19 7.916 5.483 -4.565 1.00 0.00 N ATOM 264 CA VAL A 19 6.494 5.620 -4.831 1.00 0.00 C ATOM 265 C VAL A 19 6.276 6.740 -5.851 1.00 0.00 C ATOM 266 O VAL A 19 5.485 6.592 -6.781 1.00 0.00 O ATOM 267 CB VAL A 19 5.736 5.848 -3.522 1.00 0.00 C ATOM 268 CG1 VAL A 19 4.253 6.118 -3.786 1.00 0.00 C ATOM 269 CG2 VAL A 19 5.917 4.664 -2.571 1.00 0.00 C ATOM 0 H VAL A 19 8.216 5.837 -3.657 1.00 0.00 H new ATOM 0 HA VAL A 19 6.097 4.703 -5.265 1.00 0.00 H new ATOM 0 HB VAL A 19 6.156 6.731 -3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.738 6.277 -2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.150 7.007 -4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.813 5.263 -4.299 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.368 4.851 -1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.536 3.758 -3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.976 4.538 -2.344 1.00 0.00 H new ATOM 279 N GLU A 20 6.991 7.836 -5.641 1.00 0.00 N ATOM 280 CA GLU A 20 6.885 8.980 -6.530 1.00 0.00 C ATOM 281 C GLU A 20 7.498 8.652 -7.893 1.00 0.00 C ATOM 282 O GLU A 20 7.408 9.448 -8.826 1.00 0.00 O ATOM 283 CB GLU A 20 7.547 10.215 -5.915 1.00 0.00 C ATOM 284 CG GLU A 20 9.070 10.140 -6.039 1.00 0.00 C ATOM 285 CD GLU A 20 9.593 11.196 -7.015 1.00 0.00 C ATOM 286 OE1 GLU A 20 9.287 11.057 -8.219 1.00 0.00 O ATOM 287 OE2 GLU A 20 10.286 12.119 -6.535 1.00 0.00 O ATOM 0 H GLU A 20 7.646 7.956 -4.868 1.00 0.00 H new ATOM 0 HA GLU A 20 5.829 9.207 -6.673 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.182 11.113 -6.413 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.268 10.297 -4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.526 10.287 -5.060 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.362 9.147 -6.381 1.00 0.00 H new ATOM 294 N GLN A 21 8.107 7.477 -7.964 1.00 0.00 N ATOM 295 CA GLN A 21 8.734 7.033 -9.198 1.00 0.00 C ATOM 296 C GLN A 21 7.770 6.156 -9.998 1.00 0.00 C ATOM 297 O GLN A 21 8.042 5.817 -11.149 1.00 0.00 O ATOM 298 CB GLN A 21 10.042 6.292 -8.912 1.00 0.00 C ATOM 299 CG GLN A 21 11.249 7.210 -9.116 1.00 0.00 C ATOM 300 CD GLN A 21 12.468 6.416 -9.587 1.00 0.00 C ATOM 301 OE1 GLN A 21 12.598 6.056 -10.745 1.00 0.00 O ATOM 302 NE2 GLN A 21 13.353 6.163 -8.626 1.00 0.00 N ATOM 0 H GLN A 21 8.180 6.819 -7.188 1.00 0.00 H new ATOM 0 HA GLN A 21 8.976 7.911 -9.797 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.035 5.917 -7.889 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.124 5.426 -9.569 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.006 7.979 -9.849 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.483 7.722 -8.183 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.183 6.494 -7.676 1.00 0.00 H new ATOM 0 HE22 GLN A 21 14.201 5.639 -8.839 1.00 0.00 H new ATOM 311 N LEU A 22 6.662 5.812 -9.357 1.00 0.00 N ATOM 312 CA LEU A 22 5.656 4.980 -9.994 1.00 0.00 C ATOM 313 C LEU A 22 4.982 5.772 -11.117 1.00 0.00 C ATOM 314 O LEU A 22 5.014 7.002 -11.119 1.00 0.00 O ATOM 315 CB LEU A 22 4.676 4.433 -8.955 1.00 0.00 C ATOM 316 CG LEU A 22 5.301 3.711 -7.759 1.00 0.00 C ATOM 317 CD1 LEU A 22 4.257 3.444 -6.673 1.00 0.00 C ATOM 318 CD2 LEU A 22 6.009 2.429 -8.202 1.00 0.00 C ATOM 0 H LEU A 22 6.439 6.095 -8.403 1.00 0.00 H new ATOM 0 HA LEU A 22 6.119 4.106 -10.452 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.074 5.261 -8.580 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.994 3.744 -9.454 1.00 0.00 H new ATOM 0 HG LEU A 22 6.058 4.363 -7.324 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.727 2.930 -5.835 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.839 4.390 -6.330 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.460 2.821 -7.080 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.444 1.935 -7.333 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.290 1.761 -8.676 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.798 2.676 -8.912 1.00 0.00 H new ATOM 330 N LYS A 23 4.388 5.035 -12.044 1.00 0.00 N ATOM 331 CA LYS A 23 3.708 5.654 -13.169 1.00 0.00 C ATOM 332 C LYS A 23 2.845 4.606 -13.876 1.00 0.00 C ATOM 333 O LYS A 23 3.034 3.406 -13.680 1.00 0.00 O ATOM 334 CB LYS A 23 4.715 6.344 -14.090 1.00 0.00 C ATOM 335 CG LYS A 23 4.732 7.855 -13.849 1.00 0.00 C ATOM 336 CD LYS A 23 5.251 8.601 -15.081 1.00 0.00 C ATOM 337 CE LYS A 23 6.640 9.187 -14.822 1.00 0.00 C ATOM 338 NZ LYS A 23 6.947 10.247 -15.809 1.00 0.00 N ATOM 0 H LYS A 23 4.364 4.015 -12.039 1.00 0.00 H new ATOM 0 HA LYS A 23 3.037 6.440 -12.823 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.710 5.934 -13.919 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.461 6.141 -15.130 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.727 8.200 -13.607 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.362 8.083 -12.989 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.292 7.921 -15.932 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.559 9.400 -15.345 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.686 9.597 -13.813 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.391 8.399 -14.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.893 10.634 -15.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.923 9.846 -16.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.241 11.007 -15.734 1.00 0.00 H new ATOM 352 N PRO A 24 1.893 5.111 -14.705 1.00 0.00 N ATOM 353 CA PRO A 24 1.001 4.232 -15.443 1.00 0.00 C ATOM 354 C PRO A 24 1.727 3.575 -16.619 1.00 0.00 C ATOM 355 O PRO A 24 2.396 4.254 -17.396 1.00 0.00 O ATOM 356 CB PRO A 24 -0.154 5.119 -15.878 1.00 0.00 C ATOM 357 CG PRO A 24 0.355 6.547 -15.772 1.00 0.00 C ATOM 358 CD PRO A 24 1.641 6.525 -14.962 1.00 0.00 C ATOM 0 HA PRO A 24 0.640 3.398 -14.842 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.461 4.888 -16.898 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.025 4.966 -15.241 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.536 6.962 -16.763 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.388 7.182 -15.291 1.00 0.00 H new ATOM 0 HD2 PRO A 24 2.464 6.980 -15.513 1.00 0.00 H new ATOM 0 HD3 PRO A 24 1.533 7.083 -14.032 1.00 0.00 H new ATOM 366 N GLY A 25 1.569 2.263 -16.712 1.00 0.00 N ATOM 367 CA GLY A 25 2.201 1.507 -17.780 1.00 0.00 C ATOM 368 C GLY A 25 3.430 0.756 -17.267 1.00 0.00 C ATOM 369 O GLY A 25 4.081 0.035 -18.021 1.00 0.00 O ATOM 0 H GLY A 25 1.012 1.704 -16.065 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.487 0.799 -18.201 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.493 2.182 -18.585 1.00 0.00 H new ATOM 373 N THR A 26 3.711 0.950 -15.987 1.00 0.00 N ATOM 374 CA THR A 26 4.851 0.300 -15.363 1.00 0.00 C ATOM 375 C THR A 26 4.417 -0.998 -14.680 1.00 0.00 C ATOM 376 O THR A 26 3.243 -1.171 -14.357 1.00 0.00 O ATOM 377 CB THR A 26 5.503 1.301 -14.408 1.00 0.00 C ATOM 378 OG1 THR A 26 4.508 1.531 -13.414 1.00 0.00 O ATOM 379 CG2 THR A 26 5.712 2.674 -15.050 1.00 0.00 C ATOM 0 H THR A 26 3.168 1.549 -15.364 1.00 0.00 H new ATOM 0 HA THR A 26 5.594 0.007 -16.105 1.00 0.00 H new ATOM 0 HB THR A 26 6.463 0.908 -14.071 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.251 2.477 -13.421 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.178 3.346 -14.329 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.358 2.573 -15.922 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.749 3.082 -15.357 1.00 0.00 H new ATOM 387 N THR A 27 5.387 -1.878 -14.480 1.00 0.00 N ATOM 388 CA THR A 27 5.120 -3.155 -13.841 1.00 0.00 C ATOM 389 C THR A 27 6.360 -3.646 -13.091 1.00 0.00 C ATOM 390 O THR A 27 7.431 -3.051 -13.199 1.00 0.00 O ATOM 391 CB THR A 27 4.635 -4.130 -14.917 1.00 0.00 C ATOM 392 OG1 THR A 27 5.488 -3.872 -16.029 1.00 0.00 O ATOM 393 CG2 THR A 27 3.236 -3.784 -15.432 1.00 0.00 C ATOM 0 H THR A 27 6.360 -1.731 -14.750 1.00 0.00 H new ATOM 0 HA THR A 27 4.338 -3.064 -13.087 1.00 0.00 H new ATOM 0 HB THR A 27 4.634 -5.143 -14.515 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.244 -4.463 -16.772 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.940 -4.506 -16.193 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.526 -3.816 -14.606 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.245 -2.784 -15.865 1.00 0.00 H new ATOM 401 N GLY A 28 6.173 -4.727 -12.348 1.00 0.00 N ATOM 402 CA GLY A 28 7.263 -5.305 -11.580 1.00 0.00 C ATOM 403 C GLY A 28 8.160 -4.213 -10.995 1.00 0.00 C ATOM 404 O GLY A 28 9.094 -3.754 -11.651 1.00 0.00 O ATOM 0 H GLY A 28 5.283 -5.218 -12.261 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.860 -5.919 -10.775 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.853 -5.963 -12.218 1.00 0.00 H new ATOM 408 N HIS A 29 7.846 -3.829 -9.766 1.00 0.00 N ATOM 409 CA HIS A 29 8.612 -2.799 -9.085 1.00 0.00 C ATOM 410 C HIS A 29 9.189 -3.364 -7.785 1.00 0.00 C ATOM 411 O HIS A 29 8.693 -4.362 -7.265 1.00 0.00 O ATOM 412 CB HIS A 29 7.762 -1.547 -8.862 1.00 0.00 C ATOM 413 CG HIS A 29 7.399 -0.817 -10.132 1.00 0.00 C ATOM 414 ND1 HIS A 29 8.228 0.124 -10.720 1.00 0.00 N ATOM 415 CD2 HIS A 29 6.289 -0.898 -10.922 1.00 0.00 C ATOM 416 CE1 HIS A 29 7.634 0.581 -11.812 1.00 0.00 C ATOM 417 NE2 HIS A 29 6.432 -0.053 -11.935 1.00 0.00 N ATOM 0 H HIS A 29 7.072 -4.213 -9.224 1.00 0.00 H new ATOM 0 HA HIS A 29 9.450 -2.491 -9.710 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.846 -1.830 -8.343 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.303 -0.866 -8.205 1.00 0.00 H new ATOM 0 HD1 HIS A 29 9.141 0.416 -10.371 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.438 -1.541 -10.751 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.031 1.325 -12.487 1.00 0.00 H new ATOM 425 N THR A 30 10.227 -2.701 -7.299 1.00 0.00 N ATOM 426 CA THR A 30 10.876 -3.124 -6.069 1.00 0.00 C ATOM 427 C THR A 30 11.262 -1.909 -5.224 1.00 0.00 C ATOM 428 O THR A 30 12.147 -1.142 -5.601 1.00 0.00 O ATOM 429 CB THR A 30 12.068 -4.007 -6.444 1.00 0.00 C ATOM 430 OG1 THR A 30 11.518 -4.973 -7.336 1.00 0.00 O ATOM 431 CG2 THR A 30 12.577 -4.837 -5.263 1.00 0.00 C ATOM 0 H THR A 30 10.635 -1.874 -7.734 1.00 0.00 H new ATOM 0 HA THR A 30 10.200 -3.711 -5.447 1.00 0.00 H new ATOM 0 HB THR A 30 12.877 -3.382 -6.824 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.224 -5.586 -7.630 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.423 -5.445 -5.583 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.892 -4.171 -4.460 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.779 -5.486 -4.904 1.00 0.00 H new ATOM 439 N LEU A 31 10.580 -1.771 -4.097 1.00 0.00 N ATOM 440 CA LEU A 31 10.840 -0.662 -3.195 1.00 0.00 C ATOM 441 C LEU A 31 10.384 -1.040 -1.784 1.00 0.00 C ATOM 442 O LEU A 31 9.720 -2.058 -1.594 1.00 0.00 O ATOM 443 CB LEU A 31 10.199 0.622 -3.725 1.00 0.00 C ATOM 444 CG LEU A 31 8.669 0.649 -3.744 1.00 0.00 C ATOM 445 CD1 LEU A 31 8.151 1.678 -4.751 1.00 0.00 C ATOM 446 CD2 LEU A 31 8.098 -0.746 -4.005 1.00 0.00 C ATOM 0 H LEU A 31 9.847 -2.409 -3.788 1.00 0.00 H new ATOM 0 HA LEU A 31 11.909 -0.458 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.550 1.457 -3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.558 0.792 -4.740 1.00 0.00 H new ATOM 0 HG LEU A 31 8.321 0.959 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.061 1.677 -4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.514 2.669 -4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.508 1.422 -5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.009 -0.698 -4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.452 -1.110 -4.969 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.425 -1.426 -3.218 1.00 0.00 H new ATOM 458 N THR A 32 10.758 -0.199 -0.831 1.00 0.00 N ATOM 459 CA THR A 32 10.395 -0.432 0.557 1.00 0.00 C ATOM 460 C THR A 32 9.223 0.464 0.959 1.00 0.00 C ATOM 461 O THR A 32 9.390 1.670 1.133 1.00 0.00 O ATOM 462 CB THR A 32 11.645 -0.220 1.414 1.00 0.00 C ATOM 463 OG1 THR A 32 12.632 -1.042 0.797 1.00 0.00 O ATOM 464 CG2 THR A 32 11.497 -0.806 2.820 1.00 0.00 C ATOM 0 H THR A 32 11.308 0.644 -0.992 1.00 0.00 H new ATOM 0 HA THR A 32 10.048 -1.454 0.710 1.00 0.00 H new ATOM 0 HB THR A 32 11.859 0.846 1.486 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.476 -0.964 1.288 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.411 -0.628 3.386 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.658 -0.329 3.327 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.316 -1.879 2.750 1.00 0.00 H new ATOM 472 N VAL A 33 8.062 -0.160 1.097 1.00 0.00 N ATOM 473 CA VAL A 33 6.862 0.566 1.476 1.00 0.00 C ATOM 474 C VAL A 33 6.581 0.338 2.962 1.00 0.00 C ATOM 475 O VAL A 33 6.642 -0.793 3.443 1.00 0.00 O ATOM 476 CB VAL A 33 5.695 0.154 0.577 1.00 0.00 C ATOM 477 CG1 VAL A 33 6.011 0.431 -0.894 1.00 0.00 C ATOM 478 CG2 VAL A 33 5.330 -1.317 0.791 1.00 0.00 C ATOM 0 H VAL A 33 7.927 -1.161 0.953 1.00 0.00 H new ATOM 0 HA VAL A 33 7.003 1.637 1.332 1.00 0.00 H new ATOM 0 HB VAL A 33 4.831 0.758 0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.165 0.129 -1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.199 1.496 -1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.895 -0.134 -1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.498 -1.584 0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.190 -1.943 0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.042 -1.473 1.831 1.00 0.00 H new ATOM 488 N LYS A 34 6.280 1.430 3.649 1.00 0.00 N ATOM 489 CA LYS A 34 5.990 1.364 5.071 1.00 0.00 C ATOM 490 C LYS A 34 4.491 1.579 5.292 1.00 0.00 C ATOM 491 O LYS A 34 3.941 2.603 4.889 1.00 0.00 O ATOM 492 CB LYS A 34 6.872 2.345 5.845 1.00 0.00 C ATOM 493 CG LYS A 34 6.576 2.284 7.345 1.00 0.00 C ATOM 494 CD LYS A 34 6.282 3.678 7.902 1.00 0.00 C ATOM 495 CE LYS A 34 6.361 3.686 9.430 1.00 0.00 C ATOM 496 NZ LYS A 34 5.058 4.073 10.016 1.00 0.00 N ATOM 0 H LYS A 34 6.231 2.366 3.247 1.00 0.00 H new ATOM 0 HA LYS A 34 6.233 0.376 5.463 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.922 2.112 5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.704 3.358 5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.723 1.629 7.525 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.427 1.851 7.870 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.995 4.394 7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.290 3.999 7.584 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.649 2.698 9.790 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.134 4.382 9.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.130 4.073 11.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.798 5.025 9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.329 3.393 9.720 1.00 0.00 H new ATOM 510 N VAL A 35 3.873 0.597 5.932 1.00 0.00 N ATOM 511 CA VAL A 35 2.448 0.665 6.211 1.00 0.00 C ATOM 512 C VAL A 35 2.193 1.735 7.274 1.00 0.00 C ATOM 513 O VAL A 35 3.015 1.939 8.166 1.00 0.00 O ATOM 514 CB VAL A 35 1.927 -0.715 6.614 1.00 0.00 C ATOM 515 CG1 VAL A 35 0.417 -0.818 6.389 1.00 0.00 C ATOM 516 CG2 VAL A 35 2.670 -1.823 5.865 1.00 0.00 C ATOM 0 H VAL A 35 4.333 -0.250 6.265 1.00 0.00 H new ATOM 0 HA VAL A 35 1.897 0.956 5.317 1.00 0.00 H new ATOM 0 HB VAL A 35 2.117 -0.846 7.679 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.072 -1.809 6.683 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.092 -0.064 6.988 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.194 -0.655 5.335 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.280 -2.794 6.171 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.527 -1.696 4.792 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.733 -1.770 6.098 1.00 0.00 H new ATOM 526 N ILE A 36 1.049 2.391 7.145 1.00 0.00 N ATOM 527 CA ILE A 36 0.674 3.435 8.083 1.00 0.00 C ATOM 528 C ILE A 36 -0.677 3.089 8.713 1.00 0.00 C ATOM 529 O ILE A 36 -0.816 3.097 9.935 1.00 0.00 O ATOM 530 CB ILE A 36 0.702 4.804 7.401 1.00 0.00 C ATOM 531 CG1 ILE A 36 1.747 4.840 6.285 1.00 0.00 C ATOM 532 CG2 ILE A 36 0.916 5.922 8.423 1.00 0.00 C ATOM 533 CD1 ILE A 36 3.164 4.779 6.858 1.00 0.00 C ATOM 0 H ILE A 36 0.369 2.219 6.404 1.00 0.00 H new ATOM 0 HA ILE A 36 1.398 3.495 8.895 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.270 4.974 6.937 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.589 4.001 5.607 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.627 5.751 5.699 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.932 6.884 7.911 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.104 5.911 9.150 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.865 5.769 8.937 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.887 4.806 6.043 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.327 5.632 7.517 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.289 3.855 7.423 1.00 0.00 H new ATOM 545 N GLU A 37 -1.637 2.793 7.849 1.00 0.00 N ATOM 546 CA GLU A 37 -2.972 2.445 8.306 1.00 0.00 C ATOM 547 C GLU A 37 -3.488 1.218 7.550 1.00 0.00 C ATOM 548 O GLU A 37 -2.983 0.887 6.478 1.00 0.00 O ATOM 549 CB GLU A 37 -3.931 3.627 8.150 1.00 0.00 C ATOM 550 CG GLU A 37 -3.332 4.900 8.751 1.00 0.00 C ATOM 551 CD GLU A 37 -4.400 5.716 9.483 1.00 0.00 C ATOM 552 OE1 GLU A 37 -4.752 5.307 10.611 1.00 0.00 O ATOM 553 OE2 GLU A 37 -4.841 6.729 8.898 1.00 0.00 O ATOM 0 H GLU A 37 -1.517 2.787 6.836 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.919 2.200 9.367 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.149 3.786 7.094 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.878 3.399 8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.532 4.638 9.443 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.885 5.504 7.961 1.00 0.00 H new ATOM 560 N ALA A 38 -4.486 0.577 8.139 1.00 0.00 N ATOM 561 CA ALA A 38 -5.076 -0.606 7.535 1.00 0.00 C ATOM 562 C ALA A 38 -6.513 -0.765 8.034 1.00 0.00 C ATOM 563 O ALA A 38 -6.739 -1.022 9.215 1.00 0.00 O ATOM 564 CB ALA A 38 -4.210 -1.827 7.852 1.00 0.00 C ATOM 0 H ALA A 38 -4.901 0.854 9.028 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.113 -0.505 6.450 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.652 -2.714 7.399 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.208 -1.676 7.451 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.152 -1.961 8.932 1.00 0.00 H new ATOM 570 N ASN A 39 -7.448 -0.606 7.108 1.00 0.00 N ATOM 571 CA ASN A 39 -8.858 -0.730 7.439 1.00 0.00 C ATOM 572 C ASN A 39 -9.570 -1.511 6.334 1.00 0.00 C ATOM 573 O ASN A 39 -9.215 -1.398 5.161 1.00 0.00 O ATOM 574 CB ASN A 39 -9.520 0.645 7.548 1.00 0.00 C ATOM 575 CG ASN A 39 -8.734 1.559 8.491 1.00 0.00 C ATOM 576 OD1 ASN A 39 -7.611 2.040 7.966 1.00 0.00 O flip ATOM 577 ND2 ASN A 39 -9.122 1.810 9.620 1.00 0.00 N flip ATOM 0 H ASN A 39 -7.257 -0.392 6.129 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.936 -1.245 8.396 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.582 1.102 6.560 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.541 0.533 7.912 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.995 1.407 9.961 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.574 2.423 10.223 1.00 0.00 H new ATOM 584 N ILE A 40 -10.562 -2.286 6.746 1.00 0.00 N ATOM 585 CA ILE A 40 -11.328 -3.086 5.805 1.00 0.00 C ATOM 586 C ILE A 40 -11.824 -2.192 4.667 1.00 0.00 C ATOM 587 O ILE A 40 -11.927 -0.977 4.828 1.00 0.00 O ATOM 588 CB ILE A 40 -12.446 -3.839 6.528 1.00 0.00 C ATOM 589 CG1 ILE A 40 -13.384 -2.869 7.249 1.00 0.00 C ATOM 590 CG2 ILE A 40 -11.873 -4.894 7.477 1.00 0.00 C ATOM 591 CD1 ILE A 40 -14.601 -3.602 7.817 1.00 0.00 C ATOM 0 H ILE A 40 -10.853 -2.377 7.719 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.697 -3.853 5.356 1.00 0.00 H new ATOM 0 HB ILE A 40 -13.040 -4.366 5.781 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -12.847 -2.370 8.055 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -13.713 -2.093 6.557 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -12.689 -5.414 7.978 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -11.280 -5.611 6.909 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -11.241 -4.409 8.221 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -15.251 -2.889 8.324 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -15.150 -4.080 7.005 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -14.270 -4.360 8.527 1.00 0.00 H new ATOM 954 N ILE A 63 -10.156 -8.811 2.191 1.00 0.00 N ATOM 955 CA ILE A 63 -9.317 -7.786 1.595 1.00 0.00 C ATOM 956 C ILE A 63 -9.408 -6.509 2.432 1.00 0.00 C ATOM 957 O ILE A 63 -10.502 -6.056 2.764 1.00 0.00 O ATOM 958 CB ILE A 63 -9.681 -7.584 0.123 1.00 0.00 C ATOM 959 CG1 ILE A 63 -9.078 -8.689 -0.747 1.00 0.00 C ATOM 960 CG2 ILE A 63 -9.272 -6.190 -0.356 1.00 0.00 C ATOM 961 CD1 ILE A 63 -7.682 -8.300 -1.238 1.00 0.00 C ATOM 0 HA ILE A 63 -8.273 -8.098 1.601 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.764 -7.653 0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.021 -9.616 -0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.728 -8.880 -1.601 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.542 -6.072 -1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.787 -5.435 0.238 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.195 -6.068 -0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.276 -9.103 -1.854 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.746 -7.386 -1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.028 -8.134 -0.382 1.00 0.00 H new ATOM 973 N VAL A 64 -8.243 -5.963 2.750 1.00 0.00 N ATOM 974 CA VAL A 64 -8.177 -4.747 3.542 1.00 0.00 C ATOM 975 C VAL A 64 -7.226 -3.755 2.868 1.00 0.00 C ATOM 976 O VAL A 64 -6.185 -4.146 2.344 1.00 0.00 O ATOM 977 CB VAL A 64 -7.773 -5.079 4.979 1.00 0.00 C ATOM 978 CG1 VAL A 64 -7.588 -3.805 5.806 1.00 0.00 C ATOM 979 CG2 VAL A 64 -8.792 -6.014 5.633 1.00 0.00 C ATOM 0 H VAL A 64 -7.337 -6.341 2.473 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.157 -4.273 3.595 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.815 -5.598 4.946 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.301 -4.070 6.824 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.808 -3.190 5.357 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.523 -3.246 5.827 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.481 -6.234 6.654 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.770 -5.533 5.647 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.852 -6.942 5.064 1.00 0.00 H new ATOM 989 N GLU A 65 -7.620 -2.490 2.902 1.00 0.00 N ATOM 990 CA GLU A 65 -6.816 -1.440 2.301 1.00 0.00 C ATOM 991 C GLU A 65 -5.869 -0.836 3.341 1.00 0.00 C ATOM 992 O GLU A 65 -6.311 -0.360 4.385 1.00 0.00 O ATOM 993 CB GLU A 65 -7.702 -0.362 1.675 1.00 0.00 C ATOM 994 CG GLU A 65 -8.219 -0.805 0.305 1.00 0.00 C ATOM 995 CD GLU A 65 -9.398 0.061 -0.143 1.00 0.00 C ATOM 996 OE1 GLU A 65 -10.256 0.343 0.721 1.00 0.00 O ATOM 997 OE2 GLU A 65 -9.415 0.423 -1.340 1.00 0.00 O ATOM 0 H GLU A 65 -8.485 -2.169 3.336 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.216 -1.879 1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.544 -0.150 2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.137 0.564 1.572 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.416 -0.740 -0.429 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.527 -1.850 0.349 1.00 0.00 H new ATOM 1004 N CYS A 66 -4.585 -0.874 3.017 1.00 0.00 N ATOM 1005 CA CYS A 66 -3.572 -0.337 3.910 1.00 0.00 C ATOM 1006 C CYS A 66 -2.789 0.739 3.155 1.00 0.00 C ATOM 1007 O CYS A 66 -2.642 0.665 1.936 1.00 0.00 O ATOM 1008 CB CYS A 66 -2.656 -1.435 4.453 1.00 0.00 C ATOM 1009 SG CYS A 66 -3.621 -2.958 4.764 1.00 0.00 S ATOM 0 H CYS A 66 -4.223 -1.268 2.149 1.00 0.00 H new ATOM 0 HA CYS A 66 -4.051 0.108 4.782 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.858 -1.640 3.740 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.181 -1.101 5.375 1.00 0.00 H new ATOM 0 HG CYS A 66 -2.896 -3.801 5.438 1.00 0.00 H new ATOM 1015 N LEU A 67 -2.306 1.714 3.911 1.00 0.00 N ATOM 1016 CA LEU A 67 -1.541 2.804 3.328 1.00 0.00 C ATOM 1017 C LEU A 67 -0.047 2.507 3.473 1.00 0.00 C ATOM 1018 O LEU A 67 0.464 2.406 4.588 1.00 0.00 O ATOM 1019 CB LEU A 67 -1.964 4.142 3.937 1.00 0.00 C ATOM 1020 CG LEU A 67 -1.585 5.392 3.141 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -2.521 6.556 3.469 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -0.116 5.757 3.362 1.00 0.00 C ATOM 0 H LEU A 67 -2.429 1.772 4.922 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.748 2.887 2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.046 4.133 4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.524 4.221 4.931 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.706 5.172 2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.229 7.432 2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.546 6.280 3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.456 6.786 4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.128 6.649 2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.055 5.951 4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.517 4.931 3.038 1.00 0.00 H new ATOM 1034 N ILE A 68 0.612 2.377 2.331 1.00 0.00 N ATOM 1035 CA ILE A 68 2.037 2.094 2.317 1.00 0.00 C ATOM 1036 C ILE A 68 2.729 3.031 1.326 1.00 0.00 C ATOM 1037 O ILE A 68 2.110 3.494 0.368 1.00 0.00 O ATOM 1038 CB ILE A 68 2.286 0.610 2.038 1.00 0.00 C ATOM 1039 CG1 ILE A 68 2.213 0.314 0.539 1.00 0.00 C ATOM 1040 CG2 ILE A 68 1.326 -0.268 2.843 1.00 0.00 C ATOM 1041 CD1 ILE A 68 0.872 0.766 -0.044 1.00 0.00 C ATOM 0 H ILE A 68 0.185 2.462 1.409 1.00 0.00 H new ATOM 0 HA ILE A 68 2.474 2.288 3.297 1.00 0.00 H new ATOM 0 HB ILE A 68 3.297 0.366 2.365 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.028 0.823 0.024 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.346 -0.754 0.369 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.524 -1.318 2.626 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.470 -0.084 3.908 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.298 -0.029 2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.846 0.544 -1.111 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.061 0.237 0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.753 1.839 0.107 1.00 0.00 H new ATOM 1053 N GLY A 69 4.003 3.282 1.588 1.00 0.00 N ATOM 1054 CA GLY A 69 4.786 4.156 0.731 1.00 0.00 C ATOM 1055 C GLY A 69 6.145 4.468 1.360 1.00 0.00 C ATOM 1056 O GLY A 69 6.600 3.752 2.251 1.00 0.00 O ATOM 0 H GLY A 69 4.513 2.895 2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.931 3.684 -0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.241 5.084 0.556 1.00 0.00 H new ATOM 1060 N ASP A 70 6.755 5.538 0.872 1.00 0.00 N ATOM 1061 CA ASP A 70 8.053 5.954 1.375 1.00 0.00 C ATOM 1062 C ASP A 70 8.054 7.470 1.581 1.00 0.00 C ATOM 1063 O ASP A 70 7.051 8.135 1.328 1.00 0.00 O ATOM 1064 CB ASP A 70 9.165 5.611 0.382 1.00 0.00 C ATOM 1065 CG ASP A 70 10.536 5.354 1.010 1.00 0.00 C ATOM 1066 OD1 ASP A 70 11.275 6.347 1.187 1.00 0.00 O ATOM 1067 OD2 ASP A 70 10.816 4.170 1.298 1.00 0.00 O ATOM 0 H ASP A 70 6.374 6.130 0.133 1.00 0.00 H new ATOM 0 HA ASP A 70 8.234 5.430 2.314 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.868 4.726 -0.181 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.257 6.428 -0.334 1.00 0.00 H new ATOM 1072 N GLU A 71 9.192 7.973 2.038 1.00 0.00 N ATOM 1073 CA GLU A 71 9.336 9.398 2.280 1.00 0.00 C ATOM 1074 C GLU A 71 8.815 10.195 1.083 1.00 0.00 C ATOM 1075 O GLU A 71 8.382 11.337 1.233 1.00 0.00 O ATOM 1076 CB GLU A 71 10.791 9.757 2.587 1.00 0.00 C ATOM 1077 CG GLU A 71 11.697 9.443 1.394 1.00 0.00 C ATOM 1078 CD GLU A 71 12.850 10.444 1.303 1.00 0.00 C ATOM 1079 OE1 GLU A 71 13.377 10.803 2.378 1.00 0.00 O ATOM 1080 OE2 GLU A 71 13.180 10.828 0.160 1.00 0.00 O ATOM 0 H GLU A 71 10.022 7.419 2.247 1.00 0.00 H new ATOM 0 HA GLU A 71 8.739 9.661 3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.864 10.816 2.834 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.130 9.201 3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.095 8.433 1.491 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.114 9.469 0.473 1.00 0.00 H new ATOM 1087 N THR A 72 8.875 9.563 -0.080 1.00 0.00 N ATOM 1088 CA THR A 72 8.414 10.199 -1.303 1.00 0.00 C ATOM 1089 C THR A 72 6.897 10.396 -1.263 1.00 0.00 C ATOM 1090 O THR A 72 6.418 11.510 -1.059 1.00 0.00 O ATOM 1091 CB THR A 72 8.886 9.349 -2.484 1.00 0.00 C ATOM 1092 OG1 THR A 72 8.414 8.040 -2.181 1.00 0.00 O ATOM 1093 CG2 THR A 72 10.408 9.197 -2.525 1.00 0.00 C ATOM 0 H THR A 72 9.236 8.617 -0.201 1.00 0.00 H new ATOM 0 HA THR A 72 8.836 11.198 -1.413 1.00 0.00 H new ATOM 0 HB THR A 72 8.541 9.799 -3.415 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.148 7.397 -2.276 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.690 8.585 -3.382 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.870 10.180 -2.614 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.751 8.717 -1.608 1.00 0.00 H new ATOM 1101 N GLY A 73 6.185 9.297 -1.461 1.00 0.00 N ATOM 1102 CA GLY A 73 4.732 9.334 -1.450 1.00 0.00 C ATOM 1103 C GLY A 73 4.152 7.988 -1.013 1.00 0.00 C ATOM 1104 O GLY A 73 4.890 7.094 -0.600 1.00 0.00 O ATOM 0 H GLY A 73 6.587 8.375 -1.630 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.390 10.118 -0.774 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.364 9.587 -2.444 1.00 0.00 H new ATOM 1108 N CYS A 74 2.835 7.885 -1.119 1.00 0.00 N ATOM 1109 CA CYS A 74 2.148 6.662 -0.739 1.00 0.00 C ATOM 1110 C CYS A 74 1.087 6.359 -1.799 1.00 0.00 C ATOM 1111 O CYS A 74 0.786 7.204 -2.641 1.00 0.00 O ATOM 1112 CB CYS A 74 1.542 6.765 0.662 1.00 0.00 C ATOM 1113 SG CYS A 74 0.726 8.390 0.873 1.00 0.00 S ATOM 0 H CYS A 74 2.226 8.628 -1.462 1.00 0.00 H new ATOM 0 HA CYS A 74 2.862 5.839 -0.694 1.00 0.00 H new ATOM 0 HB2 CYS A 74 0.819 5.963 0.814 1.00 0.00 H new ATOM 0 HB3 CYS A 74 2.321 6.639 1.414 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.477 8.215 1.334 1.00 0.00 H new ATOM 1119 N ILE A 75 0.548 5.151 -1.722 1.00 0.00 N ATOM 1120 CA ILE A 75 -0.474 4.727 -2.665 1.00 0.00 C ATOM 1121 C ILE A 75 -1.417 3.739 -1.976 1.00 0.00 C ATOM 1122 O ILE A 75 -1.084 3.181 -0.932 1.00 0.00 O ATOM 1123 CB ILE A 75 0.169 4.177 -3.939 1.00 0.00 C ATOM 1124 CG1 ILE A 75 0.221 2.648 -3.911 1.00 0.00 C ATOM 1125 CG2 ILE A 75 1.550 4.794 -4.167 1.00 0.00 C ATOM 1126 CD1 ILE A 75 1.269 2.153 -2.911 1.00 0.00 C ATOM 0 H ILE A 75 0.799 4.453 -1.022 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.078 5.577 -2.982 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.454 4.462 -4.787 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.758 2.252 -3.643 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.456 2.270 -4.906 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.985 4.386 -5.079 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.454 5.875 -4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.197 4.561 -3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.285 1.063 -2.911 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.251 2.531 -3.196 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.018 2.512 -1.913 1.00 0.00 H new ATOM 1138 N LEU A 76 -2.577 3.552 -2.589 1.00 0.00 N ATOM 1139 CA LEU A 76 -3.572 2.641 -2.048 1.00 0.00 C ATOM 1140 C LEU A 76 -3.340 1.242 -2.620 1.00 0.00 C ATOM 1141 O LEU A 76 -3.721 0.960 -3.755 1.00 0.00 O ATOM 1142 CB LEU A 76 -4.982 3.180 -2.294 1.00 0.00 C ATOM 1143 CG LEU A 76 -5.992 2.956 -1.166 1.00 0.00 C ATOM 1144 CD1 LEU A 76 -5.776 1.596 -0.499 1.00 0.00 C ATOM 1145 CD2 LEU A 76 -5.950 4.103 -0.156 1.00 0.00 C ATOM 0 H LEU A 76 -2.850 4.016 -3.455 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.470 2.564 -0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.912 4.251 -2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.373 2.719 -3.201 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.992 2.947 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.506 1.462 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.897 0.805 -1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.770 1.551 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.677 3.918 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.952 4.170 0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.191 5.040 -0.659 1.00 0.00 H new ATOM 1157 N PHE A 77 -2.715 0.401 -1.809 1.00 0.00 N ATOM 1158 CA PHE A 77 -2.428 -0.963 -2.220 1.00 0.00 C ATOM 1159 C PHE A 77 -3.356 -1.955 -1.516 1.00 0.00 C ATOM 1160 O PHE A 77 -3.635 -1.813 -0.327 1.00 0.00 O ATOM 1161 CB PHE A 77 -0.983 -1.257 -1.814 1.00 0.00 C ATOM 1162 CG PHE A 77 -0.583 -2.727 -1.961 1.00 0.00 C ATOM 1163 CD1 PHE A 77 -0.940 -3.628 -1.007 1.00 0.00 C ATOM 1164 CD2 PHE A 77 0.130 -3.132 -3.046 1.00 0.00 C ATOM 1165 CE1 PHE A 77 -0.569 -4.991 -1.143 1.00 0.00 C ATOM 1166 CE2 PHE A 77 0.502 -4.496 -3.182 1.00 0.00 C ATOM 1167 CZ PHE A 77 0.144 -5.397 -2.228 1.00 0.00 C ATOM 0 H PHE A 77 -2.399 0.638 -0.869 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.578 -1.067 -3.295 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.314 -0.647 -2.421 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.839 -0.954 -0.777 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.506 -3.306 -0.145 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.413 -2.417 -3.804 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.853 -5.706 -0.385 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.069 -4.818 -4.043 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.426 -6.434 -2.332 1.00 0.00 H new ATOM 1177 N THR A 78 -3.808 -2.938 -2.281 1.00 0.00 N ATOM 1178 CA THR A 78 -4.699 -3.953 -1.746 1.00 0.00 C ATOM 1179 C THR A 78 -3.904 -5.188 -1.317 1.00 0.00 C ATOM 1180 O THR A 78 -3.073 -5.689 -2.074 1.00 0.00 O ATOM 1181 CB THR A 78 -5.764 -4.253 -2.803 1.00 0.00 C ATOM 1182 OG1 THR A 78 -6.561 -3.073 -2.837 1.00 0.00 O ATOM 1183 CG2 THR A 78 -6.737 -5.347 -2.359 1.00 0.00 C ATOM 0 H THR A 78 -3.574 -3.053 -3.267 1.00 0.00 H new ATOM 0 HA THR A 78 -5.204 -3.601 -0.846 1.00 0.00 H new ATOM 0 HB THR A 78 -5.279 -4.553 -3.732 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.276 -3.180 -3.498 1.00 0.00 H new ATOM 0 HG21 THR A 78 -7.472 -5.521 -3.145 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.186 -6.268 -2.167 1.00 0.00 H new ATOM 0 HG23 THR A 78 -7.247 -5.033 -1.448 1.00 0.00 H new ATOM 1191 N ALA A 79 -4.186 -5.643 -0.105 1.00 0.00 N ATOM 1192 CA ALA A 79 -3.507 -6.810 0.433 1.00 0.00 C ATOM 1193 C ALA A 79 -4.532 -7.914 0.696 1.00 0.00 C ATOM 1194 O ALA A 79 -5.600 -7.656 1.249 1.00 0.00 O ATOM 1195 CB ALA A 79 -2.737 -6.415 1.695 1.00 0.00 C ATOM 0 H ALA A 79 -4.875 -5.225 0.520 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.782 -7.198 -0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.227 -7.290 2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.002 -5.649 1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.432 -6.025 2.438 1.00 0.00 H new ATOM 1201 N ARG A 80 -4.171 -9.122 0.287 1.00 0.00 N ATOM 1202 CA ARG A 80 -5.046 -10.267 0.471 1.00 0.00 C ATOM 1203 C ARG A 80 -5.081 -10.676 1.945 1.00 0.00 C ATOM 1204 O ARG A 80 -4.299 -10.175 2.751 1.00 0.00 O ATOM 1205 CB ARG A 80 -4.581 -11.457 -0.370 1.00 0.00 C ATOM 1206 CG ARG A 80 -4.668 -11.139 -1.864 1.00 0.00 C ATOM 1207 CD ARG A 80 -5.637 -12.090 -2.571 1.00 0.00 C ATOM 1208 NE ARG A 80 -4.971 -13.385 -2.837 1.00 0.00 N ATOM 1209 CZ ARG A 80 -5.543 -14.402 -3.495 1.00 0.00 C ATOM 1210 NH1 ARG A 80 -6.795 -14.281 -3.959 1.00 0.00 N ATOM 1211 NH2 ARG A 80 -4.864 -15.541 -3.689 1.00 0.00 N ATOM 0 H ARG A 80 -3.284 -9.332 -0.171 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.045 -9.976 0.147 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.554 -11.713 -0.108 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.195 -12.329 -0.144 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.998 -10.109 -2.002 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.679 -11.220 -2.315 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -6.521 -12.247 -1.954 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -5.976 -11.647 -3.507 1.00 0.00 H new ATOM 0 HE ARG A 80 -4.017 -13.511 -2.498 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.312 -13.414 -3.811 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -7.230 -15.056 -4.460 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.912 -15.634 -3.336 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -5.300 -16.315 -4.190 1.00 0.00 H new ATOM 1225 N ASN A 81 -5.997 -11.583 2.253 1.00 0.00 N ATOM 1226 CA ASN A 81 -6.144 -12.065 3.616 1.00 0.00 C ATOM 1227 C ASN A 81 -4.780 -12.514 4.144 1.00 0.00 C ATOM 1228 O ASN A 81 -4.571 -12.586 5.354 1.00 0.00 O ATOM 1229 CB ASN A 81 -7.092 -13.264 3.676 1.00 0.00 C ATOM 1230 CG ASN A 81 -7.351 -13.686 5.124 1.00 0.00 C ATOM 1231 OD1 ASN A 81 -7.495 -12.870 6.019 1.00 0.00 O ATOM 1232 ND2 ASN A 81 -7.403 -15.003 5.303 1.00 0.00 N ATOM 0 H ASN A 81 -6.645 -11.997 1.582 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.550 -11.253 4.219 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.036 -13.011 3.193 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.664 -14.099 3.121 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -7.572 -15.385 6.234 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.274 -15.631 4.510 1.00 0.00 H new ATOM 1239 N ASP A 82 -3.886 -12.806 3.210 1.00 0.00 N ATOM 1240 CA ASP A 82 -2.548 -13.246 3.565 1.00 0.00 C ATOM 1241 C ASP A 82 -1.623 -12.030 3.654 1.00 0.00 C ATOM 1242 O ASP A 82 -0.981 -11.808 4.680 1.00 0.00 O ATOM 1243 CB ASP A 82 -1.981 -14.195 2.508 1.00 0.00 C ATOM 1244 CG ASP A 82 -1.858 -15.655 2.949 1.00 0.00 C ATOM 1245 OD1 ASP A 82 -2.898 -16.347 2.915 1.00 0.00 O ATOM 1246 OD2 ASP A 82 -0.727 -16.045 3.311 1.00 0.00 O ATOM 0 H ASP A 82 -4.063 -12.746 2.207 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.607 -13.766 4.521 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.616 -14.151 1.623 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.995 -13.837 2.211 1.00 0.00 H new ATOM 1251 N GLN A 83 -1.584 -11.276 2.566 1.00 0.00 N ATOM 1252 CA GLN A 83 -0.748 -10.089 2.508 1.00 0.00 C ATOM 1253 C GLN A 83 -1.116 -9.125 3.637 1.00 0.00 C ATOM 1254 O GLN A 83 -0.238 -8.540 4.270 1.00 0.00 O ATOM 1255 CB GLN A 83 -0.861 -9.404 1.144 1.00 0.00 C ATOM 1256 CG GLN A 83 -0.654 -10.408 0.008 1.00 0.00 C ATOM 1257 CD GLN A 83 0.410 -9.912 -0.974 1.00 0.00 C ATOM 1258 OE1 GLN A 83 1.450 -10.521 -1.162 1.00 0.00 O ATOM 1259 NE2 GLN A 83 0.092 -8.776 -1.587 1.00 0.00 N ATOM 0 H GLN A 83 -2.118 -11.464 1.717 1.00 0.00 H new ATOM 0 HA GLN A 83 0.290 -10.393 2.640 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.841 -8.937 1.048 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.120 -8.608 1.070 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -0.353 -11.372 0.420 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -1.595 -10.566 -0.519 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -0.796 -8.318 -1.383 1.00 0.00 H new ATOM 0 HE22 GLN A 83 0.736 -8.363 -2.261 1.00 0.00 H new ATOM 1268 N VAL A 84 -2.415 -8.989 3.857 1.00 0.00 N ATOM 1269 CA VAL A 84 -2.910 -8.106 4.899 1.00 0.00 C ATOM 1270 C VAL A 84 -1.991 -8.198 6.119 1.00 0.00 C ATOM 1271 O VAL A 84 -1.608 -7.179 6.690 1.00 0.00 O ATOM 1272 CB VAL A 84 -4.368 -8.442 5.222 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -4.456 -9.621 6.193 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -5.103 -7.220 5.774 1.00 0.00 C ATOM 0 H VAL A 84 -3.141 -9.476 3.331 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.897 -7.070 4.559 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.858 -8.735 4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.502 -9.839 6.406 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.986 -10.497 5.745 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.942 -9.368 7.120 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.137 -7.486 5.995 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.612 -6.882 6.687 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.085 -6.420 5.034 1.00 0.00 H new ATOM 1284 N ASP A 85 -1.664 -9.430 6.481 1.00 0.00 N ATOM 1285 CA ASP A 85 -0.798 -9.669 7.623 1.00 0.00 C ATOM 1286 C ASP A 85 0.515 -8.907 7.429 1.00 0.00 C ATOM 1287 O ASP A 85 0.912 -8.120 8.287 1.00 0.00 O ATOM 1288 CB ASP A 85 -0.465 -11.156 7.760 1.00 0.00 C ATOM 1289 CG ASP A 85 -1.572 -12.012 8.380 1.00 0.00 C ATOM 1290 OD1 ASP A 85 -2.562 -12.267 7.661 1.00 0.00 O ATOM 1291 OD2 ASP A 85 -1.403 -12.391 9.559 1.00 0.00 O ATOM 0 H ASP A 85 -1.983 -10.273 6.004 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.320 -9.332 8.519 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.230 -11.553 6.772 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.435 -11.257 8.367 1.00 0.00 H new ATOM 1296 N LEU A 86 1.152 -9.168 6.297 1.00 0.00 N ATOM 1297 CA LEU A 86 2.412 -8.517 5.980 1.00 0.00 C ATOM 1298 C LEU A 86 2.181 -7.011 5.837 1.00 0.00 C ATOM 1299 O LEU A 86 3.046 -6.211 6.188 1.00 0.00 O ATOM 1300 CB LEU A 86 3.053 -9.161 4.749 1.00 0.00 C ATOM 1301 CG LEU A 86 3.491 -10.618 4.906 1.00 0.00 C ATOM 1302 CD1 LEU A 86 2.996 -11.469 3.735 1.00 0.00 C ATOM 1303 CD2 LEU A 86 5.007 -10.718 5.087 1.00 0.00 C ATOM 0 H LEU A 86 0.819 -9.821 5.588 1.00 0.00 H new ATOM 0 HA LEU A 86 3.127 -8.655 6.791 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.345 -9.102 3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.923 -8.569 4.466 1.00 0.00 H new ATOM 0 HG LEU A 86 3.032 -11.017 5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.321 -12.500 3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.907 -11.434 3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.406 -11.080 2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.292 -11.764 5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.506 -10.295 4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.304 -10.166 5.979 1.00 0.00 H new ATOM 1315 N MET A 87 1.009 -6.672 5.320 1.00 0.00 N ATOM 1316 CA MET A 87 0.653 -5.276 5.126 1.00 0.00 C ATOM 1317 C MET A 87 -0.017 -4.702 6.376 1.00 0.00 C ATOM 1318 O MET A 87 -0.996 -3.964 6.276 1.00 0.00 O ATOM 1319 CB MET A 87 -0.299 -5.153 3.934 1.00 0.00 C ATOM 1320 CG MET A 87 0.329 -5.739 2.668 1.00 0.00 C ATOM 1321 SD MET A 87 1.743 -4.765 2.180 1.00 0.00 S ATOM 1322 CE MET A 87 1.042 -3.127 2.288 1.00 0.00 C ATOM 0 H MET A 87 0.294 -7.339 5.030 1.00 0.00 H new ATOM 0 HA MET A 87 1.565 -4.711 4.934 1.00 0.00 H new ATOM 0 HB2 MET A 87 -1.232 -5.671 4.155 1.00 0.00 H new ATOM 0 HB3 MET A 87 -0.548 -4.105 3.769 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.632 -6.771 2.847 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.406 -5.757 1.863 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.631 -2.439 1.682 1.00 0.00 H new ATOM 0 HE2 MET A 87 0.015 -3.146 1.922 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.051 -2.795 3.326 1.00 0.00 H new ATOM 1332 N LYS A 88 0.538 -5.062 7.524 1.00 0.00 N ATOM 1333 CA LYS A 88 0.007 -4.592 8.792 1.00 0.00 C ATOM 1334 C LYS A 88 0.413 -3.132 9.000 1.00 0.00 C ATOM 1335 O LYS A 88 1.419 -2.680 8.455 1.00 0.00 O ATOM 1336 CB LYS A 88 0.438 -5.519 9.930 1.00 0.00 C ATOM 1337 CG LYS A 88 -0.651 -6.547 10.243 1.00 0.00 C ATOM 1338 CD LYS A 88 -1.143 -6.404 11.685 1.00 0.00 C ATOM 1339 CE LYS A 88 -1.123 -7.752 12.407 1.00 0.00 C ATOM 1340 NZ LYS A 88 -2.374 -7.948 13.174 1.00 0.00 N ATOM 0 H LYS A 88 1.350 -5.674 7.602 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.083 -4.622 8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.360 -6.032 9.656 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.654 -4.930 10.821 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.487 -6.417 9.555 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.262 -7.553 10.086 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.514 -5.692 12.219 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.155 -6.000 11.689 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.004 -8.558 11.682 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.266 -7.798 13.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.344 -8.868 13.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.472 -7.189 13.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.186 -7.925 12.525 1.00 0.00 H new ATOM 1354 N PRO A 89 -0.410 -2.416 9.811 1.00 0.00 N ATOM 1355 CA PRO A 89 -0.147 -1.016 10.099 1.00 0.00 C ATOM 1356 C PRO A 89 1.012 -0.868 11.087 1.00 0.00 C ATOM 1357 O PRO A 89 1.047 -1.545 12.113 1.00 0.00 O ATOM 1358 CB PRO A 89 -1.460 -0.471 10.637 1.00 0.00 C ATOM 1359 CG PRO A 89 -2.270 -1.683 11.067 1.00 0.00 C ATOM 1360 CD PRO A 89 -1.610 -2.918 10.474 1.00 0.00 C ATOM 0 HA PRO A 89 0.169 -0.457 9.218 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.288 0.202 11.477 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -1.988 0.100 9.873 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.304 -1.753 12.154 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.300 -1.597 10.720 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.360 -3.644 11.248 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.272 -3.420 9.768 1.00 0.00 H new ATOM 1368 N GLY A 90 1.931 0.021 10.743 1.00 0.00 N ATOM 1369 CA GLY A 90 3.088 0.267 11.587 1.00 0.00 C ATOM 1370 C GLY A 90 4.174 -0.784 11.348 1.00 0.00 C ATOM 1371 O GLY A 90 5.012 -1.024 12.216 1.00 0.00 O ATOM 0 H GLY A 90 1.898 0.580 9.891 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.487 1.261 11.383 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.788 0.253 12.635 1.00 0.00 H new ATOM 1375 N ALA A 91 4.124 -1.383 10.167 1.00 0.00 N ATOM 1376 CA ALA A 91 5.093 -2.403 9.804 1.00 0.00 C ATOM 1377 C ALA A 91 5.756 -2.021 8.479 1.00 0.00 C ATOM 1378 O ALA A 91 5.189 -1.264 7.692 1.00 0.00 O ATOM 1379 CB ALA A 91 4.399 -3.765 9.737 1.00 0.00 C ATOM 0 H ALA A 91 3.428 -1.181 9.449 1.00 0.00 H new ATOM 0 HA ALA A 91 5.878 -2.473 10.557 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.126 -4.531 9.465 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.969 -4.003 10.710 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.607 -3.734 8.988 1.00 0.00 H new ATOM 1385 N THR A 92 6.948 -2.561 8.273 1.00 0.00 N ATOM 1386 CA THR A 92 7.694 -2.286 7.057 1.00 0.00 C ATOM 1387 C THR A 92 7.800 -3.549 6.199 1.00 0.00 C ATOM 1388 O THR A 92 8.196 -4.605 6.690 1.00 0.00 O ATOM 1389 CB THR A 92 9.053 -1.707 7.457 1.00 0.00 C ATOM 1390 OG1 THR A 92 8.733 -0.697 8.410 1.00 0.00 O ATOM 1391 CG2 THR A 92 9.723 -0.942 6.314 1.00 0.00 C ATOM 0 H THR A 92 7.416 -3.188 8.928 1.00 0.00 H new ATOM 0 HA THR A 92 7.181 -1.551 6.436 1.00 0.00 H new ATOM 0 HB THR A 92 9.708 -2.513 7.787 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.738 -1.084 9.311 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.684 -0.552 6.651 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.880 -1.613 5.470 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.084 -0.115 6.006 1.00 0.00 H new ATOM 1399 N VAL A 93 7.440 -3.397 4.934 1.00 0.00 N ATOM 1400 CA VAL A 93 7.489 -4.512 4.003 1.00 0.00 C ATOM 1401 C VAL A 93 7.889 -3.998 2.619 1.00 0.00 C ATOM 1402 O VAL A 93 7.756 -2.810 2.331 1.00 0.00 O ATOM 1403 CB VAL A 93 6.150 -5.253 4.002 1.00 0.00 C ATOM 1404 CG1 VAL A 93 5.896 -5.929 5.351 1.00 0.00 C ATOM 1405 CG2 VAL A 93 5.003 -4.310 3.636 1.00 0.00 C ATOM 0 H VAL A 93 7.113 -2.519 4.531 1.00 0.00 H new ATOM 0 HA VAL A 93 8.244 -5.234 4.312 1.00 0.00 H new ATOM 0 HB VAL A 93 6.199 -6.032 3.242 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.938 -6.448 5.323 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.692 -6.646 5.554 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.877 -5.175 6.138 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.063 -4.861 3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.953 -3.499 4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.175 -3.897 2.642 1.00 0.00 H new ATOM 1415 N ILE A 94 8.372 -4.919 1.797 1.00 0.00 N ATOM 1416 CA ILE A 94 8.792 -4.573 0.450 1.00 0.00 C ATOM 1417 C ILE A 94 7.836 -5.214 -0.558 1.00 0.00 C ATOM 1418 O ILE A 94 7.165 -6.196 -0.245 1.00 0.00 O ATOM 1419 CB ILE A 94 10.259 -4.952 0.233 1.00 0.00 C ATOM 1420 CG1 ILE A 94 11.192 -3.888 0.815 1.00 0.00 C ATOM 1421 CG2 ILE A 94 10.543 -5.216 -1.247 1.00 0.00 C ATOM 1422 CD1 ILE A 94 12.618 -4.425 0.951 1.00 0.00 C ATOM 0 H ILE A 94 8.482 -5.904 2.038 1.00 0.00 H new ATOM 0 HA ILE A 94 8.739 -3.495 0.299 1.00 0.00 H new ATOM 0 HB ILE A 94 10.455 -5.880 0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.191 -3.007 0.173 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.824 -3.571 1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 94 11.592 -5.483 -1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 94 9.915 -6.035 -1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.325 -4.318 -1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 94 13.261 -3.649 1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 94 12.619 -5.291 1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 94 12.991 -4.718 -0.030 1.00 0.00 H new ATOM 1434 N LEU A 95 7.805 -4.632 -1.748 1.00 0.00 N ATOM 1435 CA LEU A 95 6.942 -5.134 -2.804 1.00 0.00 C ATOM 1436 C LEU A 95 7.800 -5.585 -3.987 1.00 0.00 C ATOM 1437 O LEU A 95 8.464 -4.768 -4.624 1.00 0.00 O ATOM 1438 CB LEU A 95 5.885 -4.091 -3.173 1.00 0.00 C ATOM 1439 CG LEU A 95 4.465 -4.369 -2.674 1.00 0.00 C ATOM 1440 CD1 LEU A 95 4.465 -4.707 -1.182 1.00 0.00 C ATOM 1441 CD2 LEU A 95 3.532 -3.201 -2.997 1.00 0.00 C ATOM 0 H LEU A 95 8.363 -3.818 -2.004 1.00 0.00 H new ATOM 0 HA LEU A 95 6.388 -6.008 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.204 -3.125 -2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.856 -4.001 -4.259 1.00 0.00 H new ATOM 0 HG LEU A 95 4.082 -5.242 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.444 -4.900 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.076 -5.593 -1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.875 -3.869 -0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.530 -3.424 -2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.901 -2.296 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.499 -3.049 -4.076 1.00 0.00 H new ATOM 1453 N ARG A 96 7.759 -6.883 -4.246 1.00 0.00 N ATOM 1454 CA ARG A 96 8.526 -7.453 -5.342 1.00 0.00 C ATOM 1455 C ARG A 96 7.601 -7.808 -6.507 1.00 0.00 C ATOM 1456 O ARG A 96 6.535 -8.389 -6.304 1.00 0.00 O ATOM 1457 CB ARG A 96 9.277 -8.708 -4.895 1.00 0.00 C ATOM 1458 CG ARG A 96 9.882 -8.518 -3.502 1.00 0.00 C ATOM 1459 CD ARG A 96 11.411 -8.515 -3.564 1.00 0.00 C ATOM 1460 NE ARG A 96 11.908 -9.880 -3.847 1.00 0.00 N ATOM 1461 CZ ARG A 96 13.205 -10.195 -3.973 1.00 0.00 C ATOM 1462 NH1 ARG A 96 14.141 -9.246 -3.841 1.00 0.00 N ATOM 1463 NH2 ARG A 96 13.564 -11.460 -4.230 1.00 0.00 N ATOM 0 H ARG A 96 7.207 -7.557 -3.716 1.00 0.00 H new ATOM 0 HA ARG A 96 9.251 -6.706 -5.664 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.597 -9.560 -4.887 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.067 -8.938 -5.610 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.530 -7.580 -3.074 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.543 -9.317 -2.842 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.751 -7.827 -4.339 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.821 -8.158 -2.619 1.00 0.00 H new ATOM 0 HE ARG A 96 11.222 -10.627 -3.953 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.867 -8.283 -3.645 1.00 0.00 H new ATOM 0 HH12 ARG A 96 15.128 -9.486 -3.937 1.00 0.00 H new ATOM 0 HH21 ARG A 96 12.851 -12.182 -4.330 1.00 0.00 H new ATOM 0 HH22 ARG A 96 14.551 -11.701 -4.326 1.00 0.00 H new ATOM 1477 N ASN A 97 8.042 -7.446 -7.703 1.00 0.00 N ATOM 1478 CA ASN A 97 7.267 -7.720 -8.901 1.00 0.00 C ATOM 1479 C ASN A 97 5.888 -7.068 -8.772 1.00 0.00 C ATOM 1480 O ASN A 97 4.886 -7.637 -9.202 1.00 0.00 O ATOM 1481 CB ASN A 97 7.062 -9.224 -9.093 1.00 0.00 C ATOM 1482 CG ASN A 97 7.449 -9.653 -10.510 1.00 0.00 C ATOM 1483 OD1 ASN A 97 8.595 -9.571 -10.920 1.00 0.00 O ATOM 1484 ND2 ASN A 97 6.431 -10.114 -11.232 1.00 0.00 N ATOM 0 H ASN A 97 8.926 -6.965 -7.868 1.00 0.00 H new ATOM 0 HA ASN A 97 7.813 -7.318 -9.754 1.00 0.00 H new ATOM 0 HB2 ASN A 97 7.662 -9.772 -8.367 1.00 0.00 H new ATOM 0 HB3 ASN A 97 6.020 -9.480 -8.904 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.586 -10.426 -12.191 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.496 -10.156 -10.827 1.00 0.00 H new ATOM 1491 N SER A 98 5.882 -5.884 -8.178 1.00 0.00 N ATOM 1492 CA SER A 98 4.643 -5.149 -7.986 1.00 0.00 C ATOM 1493 C SER A 98 4.285 -4.386 -9.263 1.00 0.00 C ATOM 1494 O SER A 98 5.122 -3.680 -9.824 1.00 0.00 O ATOM 1495 CB SER A 98 4.753 -4.184 -6.804 1.00 0.00 C ATOM 1496 OG SER A 98 5.716 -3.161 -7.038 1.00 0.00 O ATOM 0 H SER A 98 6.715 -5.415 -7.823 1.00 0.00 H new ATOM 0 HA SER A 98 3.851 -5.864 -7.763 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.780 -3.730 -6.615 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.025 -4.740 -5.907 1.00 0.00 H new ATOM 0 HG SER A 98 6.612 -3.556 -7.068 1.00 0.00 H new ATOM 1502 N ARG A 99 3.040 -4.553 -9.685 1.00 0.00 N ATOM 1503 CA ARG A 99 2.561 -3.889 -10.885 1.00 0.00 C ATOM 1504 C ARG A 99 1.662 -2.708 -10.515 1.00 0.00 C ATOM 1505 O ARG A 99 1.146 -2.641 -9.400 1.00 0.00 O ATOM 1506 CB ARG A 99 1.779 -4.857 -11.775 1.00 0.00 C ATOM 1507 CG ARG A 99 0.857 -5.747 -10.940 1.00 0.00 C ATOM 1508 CD ARG A 99 -0.165 -6.462 -11.826 1.00 0.00 C ATOM 1509 NE ARG A 99 -1.089 -5.475 -12.430 1.00 0.00 N ATOM 1510 CZ ARG A 99 -2.250 -5.795 -13.019 1.00 0.00 C ATOM 1511 NH1 ARG A 99 -2.635 -7.077 -13.087 1.00 0.00 N ATOM 1512 NH2 ARG A 99 -3.024 -4.834 -13.539 1.00 0.00 N ATOM 0 H ARG A 99 2.349 -5.139 -9.217 1.00 0.00 H new ATOM 0 HA ARG A 99 3.431 -3.530 -11.435 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.189 -4.295 -12.499 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.473 -5.477 -12.342 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.450 -6.483 -10.397 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.339 -5.143 -10.196 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.348 -7.020 -12.610 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.727 -7.185 -11.236 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.826 -4.490 -12.396 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -2.045 -7.808 -12.691 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -3.518 -7.321 -13.535 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.730 -3.859 -13.487 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -3.907 -5.077 -13.987 1.00 0.00 H new ATOM 1526 N ILE A 100 1.502 -1.805 -11.471 1.00 0.00 N ATOM 1527 CA ILE A 100 0.674 -0.630 -11.260 1.00 0.00 C ATOM 1528 C ILE A 100 -0.573 -0.724 -12.142 1.00 0.00 C ATOM 1529 O ILE A 100 -0.468 -0.897 -13.355 1.00 0.00 O ATOM 1530 CB ILE A 100 1.488 0.646 -11.481 1.00 0.00 C ATOM 1531 CG1 ILE A 100 2.610 0.767 -10.447 1.00 0.00 C ATOM 1532 CG2 ILE A 100 0.583 1.880 -11.490 1.00 0.00 C ATOM 1533 CD1 ILE A 100 2.051 1.132 -9.071 1.00 0.00 C ATOM 0 H ILE A 100 1.932 -1.863 -12.394 1.00 0.00 H new ATOM 0 HA ILE A 100 0.331 -0.587 -10.226 1.00 0.00 H new ATOM 0 HB ILE A 100 1.959 0.584 -12.462 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.154 -0.175 -10.384 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.323 1.526 -10.767 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.187 2.773 -11.649 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.148 1.789 -12.293 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.065 1.958 -10.534 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.869 1.212 -8.355 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.528 2.087 -9.132 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.357 0.358 -8.744 1.00 0.00 H new ATOM 1545 N ASP A 101 -1.725 -0.605 -11.498 1.00 0.00 N ATOM 1546 CA ASP A 101 -2.990 -0.675 -12.209 1.00 0.00 C ATOM 1547 C ASP A 101 -3.465 0.742 -12.537 1.00 0.00 C ATOM 1548 O ASP A 101 -3.499 1.607 -11.663 1.00 0.00 O ATOM 1549 CB ASP A 101 -4.066 -1.348 -11.353 1.00 0.00 C ATOM 1550 CG ASP A 101 -4.159 -0.839 -9.913 1.00 0.00 C ATOM 1551 OD1 ASP A 101 -4.365 0.383 -9.755 1.00 0.00 O ATOM 1552 OD2 ASP A 101 -4.021 -1.685 -9.003 1.00 0.00 O ATOM 0 H ASP A 101 -1.809 -0.461 -10.492 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.835 -1.257 -13.117 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.033 -1.207 -11.835 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.874 -2.421 -11.332 1.00 0.00 H new ATOM 1557 N MET A 102 -3.818 0.936 -13.799 1.00 0.00 N ATOM 1558 CA MET A 102 -4.289 2.233 -14.253 1.00 0.00 C ATOM 1559 C MET A 102 -5.760 2.441 -13.888 1.00 0.00 C ATOM 1560 O MET A 102 -6.650 1.923 -14.561 1.00 0.00 O ATOM 1561 CB MET A 102 -4.120 2.336 -15.770 1.00 0.00 C ATOM 1562 CG MET A 102 -3.421 3.641 -16.157 1.00 0.00 C ATOM 1563 SD MET A 102 -4.454 5.034 -15.735 1.00 0.00 S ATOM 1564 CE MET A 102 -3.403 5.850 -14.546 1.00 0.00 C ATOM 0 H MET A 102 -3.787 0.217 -14.521 1.00 0.00 H new ATOM 0 HA MET A 102 -3.699 3.005 -13.760 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.540 1.487 -16.133 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.096 2.285 -16.252 1.00 0.00 H new ATOM 0 HG2 MET A 102 -2.464 3.718 -15.641 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.208 3.646 -17.226 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.994 6.556 -13.962 1.00 0.00 H new ATOM 0 HE2 MET A 102 -2.962 5.108 -13.880 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.610 6.386 -15.068 1.00 0.00 H new ATOM 1574 N PHE A 103 -5.971 3.201 -12.823 1.00 0.00 N ATOM 1575 CA PHE A 103 -7.319 3.483 -12.360 1.00 0.00 C ATOM 1576 C PHE A 103 -7.873 4.746 -13.024 1.00 0.00 C ATOM 1577 O PHE A 103 -7.112 5.582 -13.508 1.00 0.00 O ATOM 1578 CB PHE A 103 -7.235 3.711 -10.850 1.00 0.00 C ATOM 1579 CG PHE A 103 -8.596 3.868 -10.168 1.00 0.00 C ATOM 1580 CD1 PHE A 103 -9.654 3.120 -10.580 1.00 0.00 C ATOM 1581 CD2 PHE A 103 -8.747 4.756 -9.149 1.00 0.00 C ATOM 1582 CE1 PHE A 103 -10.917 3.266 -9.947 1.00 0.00 C ATOM 1583 CE2 PHE A 103 -10.010 4.902 -8.516 1.00 0.00 C ATOM 1584 CZ PHE A 103 -11.068 4.154 -8.928 1.00 0.00 C ATOM 0 H PHE A 103 -5.231 3.630 -12.268 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.980 2.653 -12.610 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.707 2.873 -10.395 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.640 4.604 -10.660 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -9.534 2.415 -11.389 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.907 5.350 -8.821 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -11.757 2.672 -10.275 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -10.130 5.607 -7.707 1.00 0.00 H new ATOM 0 HZ PHE A 103 -12.028 4.265 -8.446 1.00 0.00 H new ATOM 1594 N LYS A 104 -9.194 4.844 -13.026 1.00 0.00 N ATOM 1595 CA LYS A 104 -9.859 5.990 -13.623 1.00 0.00 C ATOM 1596 C LYS A 104 -9.109 7.266 -13.237 1.00 0.00 C ATOM 1597 O LYS A 104 -9.326 7.815 -12.157 1.00 0.00 O ATOM 1598 CB LYS A 104 -11.341 6.008 -13.242 1.00 0.00 C ATOM 1599 CG LYS A 104 -12.067 4.785 -13.807 1.00 0.00 C ATOM 1600 CD LYS A 104 -13.543 5.095 -14.064 1.00 0.00 C ATOM 1601 CE LYS A 104 -14.427 4.502 -12.964 1.00 0.00 C ATOM 1602 NZ LYS A 104 -15.828 4.952 -13.127 1.00 0.00 N ATOM 0 H LYS A 104 -9.822 4.148 -12.624 1.00 0.00 H new ATOM 0 HA LYS A 104 -9.835 5.922 -14.711 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.441 6.026 -12.157 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.806 6.918 -13.620 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.590 4.471 -14.736 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -11.983 3.952 -13.108 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -13.689 6.174 -14.111 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -13.840 4.691 -15.032 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -14.382 3.414 -13.000 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -14.053 4.804 -11.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -16.415 4.541 -12.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -15.868 5.990 -13.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -16.187 4.642 -14.053 1.00 0.00 H new ATOM 1616 N GLY A 105 -8.243 7.702 -14.140 1.00 0.00 N ATOM 1617 CA GLY A 105 -7.460 8.904 -13.908 1.00 0.00 C ATOM 1618 C GLY A 105 -6.622 8.774 -12.634 1.00 0.00 C ATOM 1619 O GLY A 105 -6.391 9.761 -11.936 1.00 0.00 O ATOM 0 H GLY A 105 -8.066 7.244 -15.034 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.806 9.087 -14.761 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.124 9.765 -13.825 1.00 0.00 H new ATOM 1623 N THR A 106 -6.190 7.550 -12.370 1.00 0.00 N ATOM 1624 CA THR A 106 -5.383 7.279 -11.193 1.00 0.00 C ATOM 1625 C THR A 106 -4.672 5.931 -11.332 1.00 0.00 C ATOM 1626 O THR A 106 -4.746 5.292 -12.380 1.00 0.00 O ATOM 1627 CB THR A 106 -6.293 7.362 -9.966 1.00 0.00 C ATOM 1628 OG1 THR A 106 -7.535 6.829 -10.418 1.00 0.00 O ATOM 1629 CG2 THR A 106 -6.626 8.805 -9.580 1.00 0.00 C ATOM 0 H THR A 106 -6.384 6.735 -12.951 1.00 0.00 H new ATOM 0 HA THR A 106 -4.591 8.019 -11.079 1.00 0.00 H new ATOM 0 HB THR A 106 -5.813 6.862 -9.124 1.00 0.00 H new ATOM 0 HG1 THR A 106 -8.062 6.529 -9.648 1.00 0.00 H new ATOM 0 HG21 THR A 106 -7.274 8.807 -8.704 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.705 9.342 -9.352 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.136 9.295 -10.409 1.00 0.00 H new ATOM 1637 N MET A 107 -4.000 5.540 -10.260 1.00 0.00 N ATOM 1638 CA MET A 107 -3.276 4.279 -10.249 1.00 0.00 C ATOM 1639 C MET A 107 -3.100 3.760 -8.821 1.00 0.00 C ATOM 1640 O MET A 107 -3.278 4.506 -7.859 1.00 0.00 O ATOM 1641 CB MET A 107 -1.903 4.474 -10.895 1.00 0.00 C ATOM 1642 CG MET A 107 -1.124 5.593 -10.201 1.00 0.00 C ATOM 1643 SD MET A 107 0.616 5.194 -10.165 1.00 0.00 S ATOM 1644 CE MET A 107 0.962 5.474 -8.436 1.00 0.00 C ATOM 0 H MET A 107 -3.941 6.073 -9.393 1.00 0.00 H new ATOM 0 HA MET A 107 -3.852 3.545 -10.813 1.00 0.00 H new ATOM 0 HB2 MET A 107 -1.337 3.544 -10.841 1.00 0.00 H new ATOM 0 HB3 MET A 107 -2.025 4.712 -11.952 1.00 0.00 H new ATOM 0 HG2 MET A 107 -1.279 6.535 -10.727 1.00 0.00 H new ATOM 0 HG3 MET A 107 -1.495 5.730 -9.185 1.00 0.00 H new ATOM 0 HE1 MET A 107 1.869 6.070 -8.338 1.00 0.00 H new ATOM 0 HE2 MET A 107 0.128 6.006 -7.979 1.00 0.00 H new ATOM 0 HE3 MET A 107 1.101 4.517 -7.933 1.00 0.00 H new ATOM 1654 N ARG A 108 -2.753 2.485 -8.727 1.00 0.00 N ATOM 1655 CA ARG A 108 -2.551 1.857 -7.433 1.00 0.00 C ATOM 1656 C ARG A 108 -1.454 0.795 -7.523 1.00 0.00 C ATOM 1657 O ARG A 108 -1.118 0.336 -8.614 1.00 0.00 O ATOM 1658 CB ARG A 108 -3.841 1.207 -6.929 1.00 0.00 C ATOM 1659 CG ARG A 108 -4.981 2.225 -6.867 1.00 0.00 C ATOM 1660 CD ARG A 108 -6.239 1.605 -6.255 1.00 0.00 C ATOM 1661 NE ARG A 108 -7.321 1.556 -7.264 1.00 0.00 N ATOM 1662 CZ ARG A 108 -7.479 0.564 -8.150 1.00 0.00 C ATOM 1663 NH1 ARG A 108 -6.625 -0.469 -8.158 1.00 0.00 N ATOM 1664 NH2 ARG A 108 -8.490 0.604 -9.028 1.00 0.00 N ATOM 0 H ARG A 108 -2.607 1.869 -9.527 1.00 0.00 H new ATOM 0 HA ARG A 108 -2.251 2.635 -6.731 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.119 0.384 -7.588 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -3.675 0.781 -5.939 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.672 3.087 -6.276 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.202 2.590 -7.870 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.021 0.600 -5.895 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -6.560 2.190 -5.393 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.989 2.327 -7.286 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -5.855 -0.499 -7.490 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.745 -1.225 -8.833 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -9.140 1.390 -9.022 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -8.610 -0.152 -9.703 1.00 0.00 H new ATOM 1678 N LEU A 109 -0.925 0.435 -6.363 1.00 0.00 N ATOM 1679 CA LEU A 109 0.127 -0.564 -6.297 1.00 0.00 C ATOM 1680 C LEU A 109 -0.488 -1.924 -5.959 1.00 0.00 C ATOM 1681 O LEU A 109 -1.429 -2.005 -5.172 1.00 0.00 O ATOM 1682 CB LEU A 109 1.223 -0.126 -5.324 1.00 0.00 C ATOM 1683 CG LEU A 109 2.418 -1.072 -5.189 1.00 0.00 C ATOM 1684 CD1 LEU A 109 3.132 -1.248 -6.530 1.00 0.00 C ATOM 1685 CD2 LEU A 109 3.371 -0.598 -4.089 1.00 0.00 C ATOM 0 H LEU A 109 -1.206 0.818 -5.460 1.00 0.00 H new ATOM 0 HA LEU A 109 0.616 -0.666 -7.266 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.592 0.850 -5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.775 0.005 -4.339 1.00 0.00 H new ATOM 0 HG LEU A 109 2.046 -2.052 -4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.977 -1.925 -6.406 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.438 -1.664 -7.260 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.491 -0.280 -6.881 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.212 -1.288 -4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.740 0.399 -4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.841 -0.567 -3.137 1.00 0.00 H new ATOM 1697 N GLY A 110 0.071 -2.959 -6.571 1.00 0.00 N ATOM 1698 CA GLY A 110 -0.411 -4.311 -6.344 1.00 0.00 C ATOM 1699 C GLY A 110 0.667 -5.341 -6.688 1.00 0.00 C ATOM 1700 O GLY A 110 1.755 -4.981 -7.135 1.00 0.00 O ATOM 0 H GLY A 110 0.852 -2.888 -7.223 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.709 -4.425 -5.302 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -1.299 -4.491 -6.951 1.00 0.00 H new ATOM 1704 N VAL A 111 0.327 -6.602 -6.466 1.00 0.00 N ATOM 1705 CA VAL A 111 1.251 -7.687 -6.747 1.00 0.00 C ATOM 1706 C VAL A 111 0.510 -8.807 -7.479 1.00 0.00 C ATOM 1707 O VAL A 111 -0.593 -9.187 -7.086 1.00 0.00 O ATOM 1708 CB VAL A 111 1.915 -8.157 -5.451 1.00 0.00 C ATOM 1709 CG1 VAL A 111 2.711 -9.444 -5.678 1.00 0.00 C ATOM 1710 CG2 VAL A 111 2.804 -7.060 -4.861 1.00 0.00 C ATOM 0 H VAL A 111 -0.576 -6.897 -6.095 1.00 0.00 H new ATOM 0 HA VAL A 111 2.052 -7.346 -7.403 1.00 0.00 H new ATOM 0 HB VAL A 111 1.126 -8.373 -4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.173 -9.756 -4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.042 -10.228 -6.032 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.486 -9.266 -6.423 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.264 -7.420 -3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.583 -6.798 -5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.200 -6.179 -4.644 1.00 0.00 H new ATOM 1720 N ASP A 112 1.144 -9.305 -8.530 1.00 0.00 N ATOM 1721 CA ASP A 112 0.558 -10.374 -9.321 1.00 0.00 C ATOM 1722 C ASP A 112 1.035 -11.724 -8.779 1.00 0.00 C ATOM 1723 O ASP A 112 1.847 -11.774 -7.856 1.00 0.00 O ATOM 1724 CB ASP A 112 0.988 -10.275 -10.786 1.00 0.00 C ATOM 1725 CG ASP A 112 -0.133 -9.923 -11.766 1.00 0.00 C ATOM 1726 OD1 ASP A 112 -1.301 -9.940 -11.321 1.00 0.00 O ATOM 1727 OD2 ASP A 112 0.203 -9.645 -12.937 1.00 0.00 O ATOM 0 H ASP A 112 2.058 -8.988 -8.853 1.00 0.00 H new ATOM 0 HA ASP A 112 -0.526 -10.285 -9.257 1.00 0.00 H new ATOM 0 HB2 ASP A 112 1.772 -9.523 -10.869 1.00 0.00 H new ATOM 0 HB3 ASP A 112 1.427 -11.227 -11.086 1.00 0.00 H new ATOM 1732 N LYS A 113 0.509 -12.784 -9.375 1.00 0.00 N ATOM 1733 CA LYS A 113 0.871 -14.130 -8.964 1.00 0.00 C ATOM 1734 C LYS A 113 2.370 -14.341 -9.188 1.00 0.00 C ATOM 1735 O LYS A 113 2.986 -15.182 -8.536 1.00 0.00 O ATOM 1736 CB LYS A 113 -0.009 -15.161 -9.673 1.00 0.00 C ATOM 1737 CG LYS A 113 0.414 -15.331 -11.133 1.00 0.00 C ATOM 1738 CD LYS A 113 -0.130 -16.638 -11.713 1.00 0.00 C ATOM 1739 CE LYS A 113 -0.750 -16.410 -13.093 1.00 0.00 C ATOM 1740 NZ LYS A 113 -0.433 -17.538 -13.997 1.00 0.00 N ATOM 0 H LYS A 113 -0.165 -12.738 -10.139 1.00 0.00 H new ATOM 0 HA LYS A 113 0.686 -14.267 -7.899 1.00 0.00 H new ATOM 0 HB2 LYS A 113 0.059 -16.119 -9.157 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -1.052 -14.847 -9.627 1.00 0.00 H new ATOM 0 HG2 LYS A 113 0.050 -14.489 -11.721 1.00 0.00 H new ATOM 0 HG3 LYS A 113 1.502 -15.323 -11.204 1.00 0.00 H new ATOM 0 HD2 LYS A 113 0.675 -17.369 -11.788 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -0.878 -17.056 -11.039 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -1.831 -16.304 -12.999 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -0.374 -15.479 -13.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -1.231 -17.699 -14.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 0.419 -17.312 -14.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -0.264 -18.396 -13.435 1.00 0.00 H new ATOM 1754 N TRP A 114 2.913 -13.564 -10.113 1.00 0.00 N ATOM 1755 CA TRP A 114 4.327 -13.656 -10.432 1.00 0.00 C ATOM 1756 C TRP A 114 5.090 -12.747 -9.466 1.00 0.00 C ATOM 1757 O TRP A 114 6.292 -12.539 -9.622 1.00 0.00 O ATOM 1758 CB TRP A 114 4.582 -13.314 -11.901 1.00 0.00 C ATOM 1759 CG TRP A 114 3.396 -13.606 -12.823 1.00 0.00 C ATOM 1760 CD1 TRP A 114 2.409 -12.776 -13.185 1.00 0.00 C ATOM 1761 CD2 TRP A 114 3.111 -14.855 -13.488 1.00 0.00 C ATOM 1762 NE1 TRP A 114 1.512 -13.395 -14.032 1.00 0.00 N ATOM 1763 CE2 TRP A 114 1.953 -14.699 -14.222 1.00 0.00 C ATOM 1764 CE3 TRP A 114 3.809 -16.075 -13.471 1.00 0.00 C ATOM 1765 CZ2 TRP A 114 1.390 -15.724 -14.993 1.00 0.00 C ATOM 1766 CZ3 TRP A 114 3.234 -17.089 -14.246 1.00 0.00 C ATOM 1767 CH2 TRP A 114 2.069 -16.948 -14.991 1.00 0.00 C ATOM 0 H TRP A 114 2.399 -12.867 -10.652 1.00 0.00 H new ATOM 0 HA TRP A 114 4.685 -14.678 -10.305 1.00 0.00 H new ATOM 0 HB2 TRP A 114 4.838 -12.257 -11.978 1.00 0.00 H new ATOM 0 HB3 TRP A 114 5.447 -13.878 -12.250 1.00 0.00 H new ATOM 0 HD1 TRP A 114 2.325 -11.751 -12.855 1.00 0.00 H new ATOM 0 HE1 TRP A 114 0.679 -12.973 -14.443 1.00 0.00 H new ATOM 0 HE3 TRP A 114 4.717 -16.219 -12.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 0.481 -15.578 -15.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 3.730 -18.048 -14.267 1.00 0.00 H new ATOM 0 HH2 TRP A 114 1.689 -17.780 -15.566 1.00 0.00 H new ATOM 1778 N GLY A 115 4.359 -12.228 -8.490 1.00 0.00 N ATOM 1779 CA GLY A 115 4.951 -11.346 -7.499 1.00 0.00 C ATOM 1780 C GLY A 115 4.511 -11.735 -6.086 1.00 0.00 C ATOM 1781 O GLY A 115 3.434 -12.299 -5.900 1.00 0.00 O ATOM 0 H GLY A 115 3.362 -12.402 -8.365 1.00 0.00 H new ATOM 0 HA2 GLY A 115 6.038 -11.390 -7.570 1.00 0.00 H new ATOM 0 HA3 GLY A 115 4.660 -10.316 -7.704 1.00 0.00 H new ATOM 1785 N ARG A 116 5.368 -11.419 -5.126 1.00 0.00 N ATOM 1786 CA ARG A 116 5.082 -11.729 -3.736 1.00 0.00 C ATOM 1787 C ARG A 116 5.714 -10.680 -2.818 1.00 0.00 C ATOM 1788 O ARG A 116 6.643 -9.980 -3.217 1.00 0.00 O ATOM 1789 CB ARG A 116 5.613 -13.113 -3.359 1.00 0.00 C ATOM 1790 CG ARG A 116 7.118 -13.213 -3.618 1.00 0.00 C ATOM 1791 CD ARG A 116 7.758 -14.281 -2.730 1.00 0.00 C ATOM 1792 NE ARG A 116 9.170 -14.485 -3.121 1.00 0.00 N ATOM 1793 CZ ARG A 116 10.167 -13.648 -2.802 1.00 0.00 C ATOM 1794 NH1 ARG A 116 9.911 -12.545 -2.085 1.00 0.00 N ATOM 1795 NH2 ARG A 116 11.418 -13.914 -3.200 1.00 0.00 N ATOM 0 H ARG A 116 6.261 -10.951 -5.284 1.00 0.00 H new ATOM 0 HA ARG A 116 3.999 -11.722 -3.611 1.00 0.00 H new ATOM 0 HB2 ARG A 116 5.408 -13.311 -2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 116 5.090 -13.876 -3.935 1.00 0.00 H new ATOM 0 HG2 ARG A 116 7.295 -13.453 -4.666 1.00 0.00 H new ATOM 0 HG3 ARG A 116 7.588 -12.248 -3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 116 7.702 -13.978 -1.685 1.00 0.00 H new ATOM 0 HD3 ARG A 116 7.208 -15.218 -2.820 1.00 0.00 H new ATOM 0 HE ARG A 116 9.399 -15.315 -3.668 1.00 0.00 H new ATOM 0 HH11 ARG A 116 8.958 -12.343 -1.783 1.00 0.00 H new ATOM 0 HH12 ARG A 116 10.669 -11.907 -1.842 1.00 0.00 H new ATOM 0 HH21 ARG A 116 11.612 -14.754 -3.746 1.00 0.00 H new ATOM 0 HH22 ARG A 116 12.177 -13.277 -2.957 1.00 0.00 H new ATOM 1809 N ILE A 117 5.186 -10.606 -1.605 1.00 0.00 N ATOM 1810 CA ILE A 117 5.687 -9.656 -0.627 1.00 0.00 C ATOM 1811 C ILE A 117 7.001 -10.177 -0.043 1.00 0.00 C ATOM 1812 O ILE A 117 7.261 -11.379 -0.063 1.00 0.00 O ATOM 1813 CB ILE A 117 4.619 -9.360 0.428 1.00 0.00 C ATOM 1814 CG1 ILE A 117 3.692 -8.233 -0.031 1.00 0.00 C ATOM 1815 CG2 ILE A 117 5.258 -9.060 1.786 1.00 0.00 C ATOM 1816 CD1 ILE A 117 2.567 -8.003 0.980 1.00 0.00 C ATOM 0 H ILE A 117 4.416 -11.189 -1.277 1.00 0.00 H new ATOM 0 HA ILE A 117 5.906 -8.700 -1.102 1.00 0.00 H new ATOM 0 HB ILE A 117 4.004 -10.252 0.551 1.00 0.00 H new ATOM 0 HG12 ILE A 117 4.265 -7.315 -0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.267 -8.480 -1.004 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.477 -8.853 2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 117 5.842 -9.921 2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 117 5.911 -8.192 1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 117 1.922 -7.197 0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 117 1.981 -8.916 1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 117 2.995 -7.732 1.945 1.00 0.00 H new ATOM 1828 N GLU A 118 7.796 -9.246 0.464 1.00 0.00 N ATOM 1829 CA GLU A 118 9.078 -9.596 1.053 1.00 0.00 C ATOM 1830 C GLU A 118 8.977 -9.598 2.580 1.00 0.00 C ATOM 1831 O GLU A 118 9.335 -10.581 3.228 1.00 0.00 O ATOM 1832 CB GLU A 118 10.178 -8.645 0.578 1.00 0.00 C ATOM 1833 CG GLU A 118 11.422 -8.760 1.461 1.00 0.00 C ATOM 1834 CD GLU A 118 12.661 -9.081 0.623 1.00 0.00 C ATOM 1835 OE1 GLU A 118 13.192 -8.131 0.009 1.00 0.00 O ATOM 1836 OE2 GLU A 118 13.049 -10.269 0.616 1.00 0.00 O ATOM 0 H GLU A 118 7.577 -8.250 0.479 1.00 0.00 H new ATOM 0 HA GLU A 118 9.345 -10.600 0.724 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.439 -8.873 -0.455 1.00 0.00 H new ATOM 0 HB3 GLU A 118 9.809 -7.619 0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 118 11.576 -7.826 2.002 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.272 -9.540 2.208 1.00 0.00 H new ATOM 1843 N ALA A 119 8.489 -8.487 3.111 1.00 0.00 N ATOM 1844 CA ALA A 119 8.337 -8.348 4.549 1.00 0.00 C ATOM 1845 C ALA A 119 9.684 -7.966 5.166 1.00 0.00 C ATOM 1846 O ALA A 119 10.186 -8.660 6.048 1.00 0.00 O ATOM 1847 CB ALA A 119 7.778 -9.648 5.131 1.00 0.00 C ATOM 0 H ALA A 119 8.193 -7.674 2.571 1.00 0.00 H new ATOM 0 HA ALA A 119 7.629 -7.553 4.785 1.00 0.00 H new ATOM 0 HB1 ALA A 119 7.664 -9.544 6.210 1.00 0.00 H new ATOM 0 HB2 ALA A 119 6.808 -9.860 4.682 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.464 -10.467 4.916 1.00 0.00 H new ATOM 1853 N THR A 120 10.230 -6.862 4.676 1.00 0.00 N ATOM 1854 CA THR A 120 11.509 -6.379 5.168 1.00 0.00 C ATOM 1855 C THR A 120 11.419 -6.057 6.661 1.00 0.00 C ATOM 1856 O THR A 120 10.332 -6.063 7.237 1.00 0.00 O ATOM 1857 CB THR A 120 11.922 -5.180 4.312 1.00 0.00 C ATOM 1858 OG1 THR A 120 13.022 -4.612 5.018 1.00 0.00 O ATOM 1859 CG2 THR A 120 10.868 -4.071 4.310 1.00 0.00 C ATOM 0 H THR A 120 9.810 -6.289 3.944 1.00 0.00 H new ATOM 0 HA THR A 120 12.281 -7.143 5.078 1.00 0.00 H new ATOM 0 HB THR A 120 12.104 -5.510 3.289 1.00 0.00 H new ATOM 0 HG1 THR A 120 13.354 -3.829 4.531 1.00 0.00 H new ATOM 0 HG21 THR A 120 11.211 -3.244 3.688 1.00 0.00 H new ATOM 0 HG22 THR A 120 9.931 -4.460 3.912 1.00 0.00 H new ATOM 0 HG23 THR A 120 10.710 -3.717 5.329 1.00 0.00 H new ATOM 1867 N GLY A 121 12.576 -5.783 7.245 1.00 0.00 N ATOM 1868 CA GLY A 121 12.642 -5.459 8.660 1.00 0.00 C ATOM 1869 C GLY A 121 11.757 -4.255 8.989 1.00 0.00 C ATOM 1870 O GLY A 121 10.534 -4.332 8.885 1.00 0.00 O ATOM 0 H GLY A 121 13.475 -5.779 6.764 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.325 -6.320 9.249 1.00 0.00 H new ATOM 0 HA3 GLY A 121 13.673 -5.244 8.940 1.00 0.00 H new ATOM 1874 N ALA A 122 12.410 -3.171 9.380 1.00 0.00 N ATOM 1875 CA ALA A 122 11.698 -1.952 9.725 1.00 0.00 C ATOM 1876 C ALA A 122 12.096 -0.841 8.752 1.00 0.00 C ATOM 1877 O ALA A 122 13.134 -0.927 8.097 1.00 0.00 O ATOM 1878 CB ALA A 122 11.989 -1.584 11.181 1.00 0.00 C ATOM 0 H ALA A 122 13.425 -3.111 9.466 1.00 0.00 H new ATOM 0 HA ALA A 122 10.622 -2.099 9.635 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.455 -0.670 11.439 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.660 -2.393 11.833 1.00 0.00 H new ATOM 0 HB3 ALA A 122 13.060 -1.427 11.310 1.00 0.00 H new ATOM 1884 N ALA A 123 11.251 0.178 8.688 1.00 0.00 N ATOM 1885 CA ALA A 123 11.502 1.305 7.806 1.00 0.00 C ATOM 1886 C ALA A 123 12.296 2.372 8.562 1.00 0.00 C ATOM 1887 O ALA A 123 12.025 2.640 9.732 1.00 0.00 O ATOM 1888 CB ALA A 123 10.173 1.839 7.269 1.00 0.00 C ATOM 0 H ALA A 123 10.392 0.246 9.233 1.00 0.00 H new ATOM 0 HA ALA A 123 12.099 0.995 6.948 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.361 2.684 6.607 1.00 0.00 H new ATOM 0 HB2 ALA A 123 9.662 1.052 6.715 1.00 0.00 H new ATOM 0 HB3 ALA A 123 9.548 2.162 8.101 1.00 0.00 H new ATOM 1894 N SER A 124 13.262 2.951 7.864 1.00 0.00 N ATOM 1895 CA SER A 124 14.097 3.982 8.455 1.00 0.00 C ATOM 1896 C SER A 124 13.706 5.354 7.901 1.00 0.00 C ATOM 1897 O SER A 124 14.462 6.316 8.026 1.00 0.00 O ATOM 1898 CB SER A 124 15.580 3.707 8.194 1.00 0.00 C ATOM 1899 OG SER A 124 16.405 4.178 9.256 1.00 0.00 O ATOM 0 H SER A 124 13.485 2.725 6.895 1.00 0.00 H new ATOM 0 HA SER A 124 13.938 3.974 9.533 1.00 0.00 H new ATOM 0 HB2 SER A 124 15.733 2.636 8.064 1.00 0.00 H new ATOM 0 HB3 SER A 124 15.879 4.187 7.262 1.00 0.00 H new ATOM 0 HG SER A 124 17.343 3.982 9.053 1.00 0.00 H new ATOM 1905 N PHE A 125 12.526 5.399 7.300 1.00 0.00 N ATOM 1906 CA PHE A 125 12.026 6.637 6.726 1.00 0.00 C ATOM 1907 C PHE A 125 10.578 6.892 7.150 1.00 0.00 C ATOM 1908 O PHE A 125 9.883 5.973 7.582 1.00 0.00 O ATOM 1909 CB PHE A 125 12.079 6.478 5.205 1.00 0.00 C ATOM 1910 CG PHE A 125 11.298 5.273 4.677 1.00 0.00 C ATOM 1911 CD1 PHE A 125 9.941 5.251 4.763 1.00 0.00 C ATOM 1912 CD2 PHE A 125 11.961 4.223 4.122 1.00 0.00 C ATOM 1913 CE1 PHE A 125 9.217 4.132 4.274 1.00 0.00 C ATOM 1914 CE2 PHE A 125 11.237 3.105 3.632 1.00 0.00 C ATOM 1915 CZ PHE A 125 9.880 3.083 3.719 1.00 0.00 C ATOM 0 H PHE A 125 11.902 4.599 7.198 1.00 0.00 H new ATOM 0 HA PHE A 125 12.630 7.477 7.069 1.00 0.00 H new ATOM 0 HB2 PHE A 125 11.687 7.383 4.742 1.00 0.00 H new ATOM 0 HB3 PHE A 125 13.120 6.387 4.896 1.00 0.00 H new ATOM 0 HD1 PHE A 125 9.414 6.085 5.203 1.00 0.00 H new ATOM 0 HD2 PHE A 125 13.039 4.240 4.054 1.00 0.00 H new ATOM 0 HE1 PHE A 125 8.139 4.114 4.343 1.00 0.00 H new ATOM 0 HE2 PHE A 125 11.764 2.272 3.190 1.00 0.00 H new ATOM 0 HZ PHE A 125 9.329 2.232 3.347 1.00 0.00 H new ATOM 1925 N THR A 126 10.166 8.143 7.012 1.00 0.00 N ATOM 1926 CA THR A 126 8.814 8.531 7.375 1.00 0.00 C ATOM 1927 C THR A 126 7.975 8.778 6.120 1.00 0.00 C ATOM 1928 O THR A 126 8.283 9.668 5.329 1.00 0.00 O ATOM 1929 CB THR A 126 8.902 9.748 8.297 1.00 0.00 C ATOM 1930 OG1 THR A 126 9.560 9.255 9.462 1.00 0.00 O ATOM 1931 CG2 THR A 126 7.531 10.199 8.806 1.00 0.00 C ATOM 0 H THR A 126 10.745 8.902 6.653 1.00 0.00 H new ATOM 0 HA THR A 126 8.305 7.733 7.916 1.00 0.00 H new ATOM 0 HB THR A 126 9.380 10.571 7.766 1.00 0.00 H new ATOM 0 HG1 THR A 126 9.660 9.981 10.113 1.00 0.00 H new ATOM 0 HG21 THR A 126 7.651 11.066 9.456 1.00 0.00 H new ATOM 0 HG22 THR A 126 6.898 10.465 7.959 1.00 0.00 H new ATOM 0 HG23 THR A 126 7.066 9.388 9.366 1.00 0.00 H new ATOM 1939 N VAL A 127 6.930 7.975 5.977 1.00 0.00 N ATOM 1940 CA VAL A 127 6.045 8.096 4.832 1.00 0.00 C ATOM 1941 C VAL A 127 5.523 9.532 4.746 1.00 0.00 C ATOM 1942 O VAL A 127 5.233 10.153 5.767 1.00 0.00 O ATOM 1943 CB VAL A 127 4.925 7.058 4.925 1.00 0.00 C ATOM 1944 CG1 VAL A 127 3.846 7.319 3.872 1.00 0.00 C ATOM 1945 CG2 VAL A 127 5.481 5.639 4.799 1.00 0.00 C ATOM 0 H VAL A 127 6.677 7.238 6.636 1.00 0.00 H new ATOM 0 HA VAL A 127 6.585 7.890 3.908 1.00 0.00 H new ATOM 0 HB VAL A 127 4.463 7.151 5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 127 3.062 6.567 3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 127 3.418 8.309 4.027 1.00 0.00 H new ATOM 0 HG13 VAL A 127 4.288 7.267 2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 127 4.664 4.921 4.868 1.00 0.00 H new ATOM 0 HG22 VAL A 127 5.981 5.528 3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 127 6.195 5.455 5.602 1.00 0.00 H new ATOM 1955 N LYS A 128 5.420 10.017 3.517 1.00 0.00 N ATOM 1956 CA LYS A 128 4.938 11.368 3.284 1.00 0.00 C ATOM 1957 C LYS A 128 3.551 11.307 2.642 1.00 0.00 C ATOM 1958 O LYS A 128 3.432 11.200 1.422 1.00 0.00 O ATOM 1959 CB LYS A 128 5.958 12.168 2.471 1.00 0.00 C ATOM 1960 CG LYS A 128 5.413 13.553 2.118 1.00 0.00 C ATOM 1961 CD LYS A 128 5.152 13.674 0.615 1.00 0.00 C ATOM 1962 CE LYS A 128 6.454 13.930 -0.148 1.00 0.00 C ATOM 1963 NZ LYS A 128 6.946 15.301 0.113 1.00 0.00 N ATOM 0 H LYS A 128 5.662 9.499 2.672 1.00 0.00 H new ATOM 0 HA LYS A 128 4.829 11.901 4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.882 12.271 3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 128 6.205 11.627 1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 128 4.489 13.735 2.667 1.00 0.00 H new ATOM 0 HG3 LYS A 128 6.124 14.318 2.430 1.00 0.00 H new ATOM 0 HD2 LYS A 128 4.685 12.760 0.248 1.00 0.00 H new ATOM 0 HD3 LYS A 128 4.451 14.487 0.428 1.00 0.00 H new ATOM 0 HE2 LYS A 128 7.208 13.203 0.153 1.00 0.00 H new ATOM 0 HE3 LYS A 128 6.289 13.794 -1.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 7.608 15.581 -0.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 6.142 15.961 0.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 7.434 15.326 1.031 1.00 0.00 H new ATOM 1977 N GLU A 129 2.536 11.377 3.491 1.00 0.00 N ATOM 1978 CA GLU A 129 1.162 11.331 3.022 1.00 0.00 C ATOM 1979 C GLU A 129 0.809 12.624 2.284 1.00 0.00 C ATOM 1980 O GLU A 129 -0.258 12.728 1.682 1.00 0.00 O ATOM 1981 CB GLU A 129 0.195 11.079 4.180 1.00 0.00 C ATOM 1982 CG GLU A 129 -0.086 9.584 4.344 1.00 0.00 C ATOM 1983 CD GLU A 129 -1.416 9.352 5.064 1.00 0.00 C ATOM 1984 OE1 GLU A 129 -2.448 9.780 4.503 1.00 0.00 O ATOM 1985 OE2 GLU A 129 -1.371 8.753 6.160 1.00 0.00 O ATOM 0 H GLU A 129 2.638 11.465 4.502 1.00 0.00 H new ATOM 0 HA GLU A 129 1.065 10.499 2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 129 0.616 11.477 5.103 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -0.739 11.611 4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -0.110 9.105 3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 129 0.723 9.118 4.907 1.00 0.00 H new ATOM 1992 N ASP A 130 1.727 13.577 2.355 1.00 0.00 N ATOM 1993 CA ASP A 130 1.526 14.860 1.702 1.00 0.00 C ATOM 1994 C ASP A 130 1.605 14.672 0.185 1.00 0.00 C ATOM 1995 O ASP A 130 1.145 15.524 -0.574 1.00 0.00 O ATOM 1996 CB ASP A 130 2.607 15.862 2.111 1.00 0.00 C ATOM 1997 CG ASP A 130 2.085 17.160 2.728 1.00 0.00 C ATOM 1998 OD1 ASP A 130 1.216 17.786 2.084 1.00 0.00 O ATOM 1999 OD2 ASP A 130 2.566 17.498 3.831 1.00 0.00 O ATOM 0 H ASP A 130 2.612 13.487 2.855 1.00 0.00 H new ATOM 0 HA ASP A 130 0.550 15.242 2.001 1.00 0.00 H new ATOM 0 HB2 ASP A 130 3.275 15.381 2.825 1.00 0.00 H new ATOM 0 HB3 ASP A 130 3.203 16.109 1.233 1.00 0.00 H new ATOM 2004 N ASN A 131 2.191 13.552 -0.211 1.00 0.00 N ATOM 2005 CA ASN A 131 2.336 13.242 -1.623 1.00 0.00 C ATOM 2006 C ASN A 131 1.711 11.875 -1.908 1.00 0.00 C ATOM 2007 O ASN A 131 2.422 10.901 -2.149 1.00 0.00 O ATOM 2008 CB ASN A 131 3.811 13.180 -2.025 1.00 0.00 C ATOM 2009 CG ASN A 131 3.967 13.209 -3.546 1.00 0.00 C ATOM 2010 OD1 ASN A 131 3.616 14.168 -4.214 1.00 0.00 O ATOM 2011 ND2 ASN A 131 4.511 12.107 -4.056 1.00 0.00 N ATOM 0 H ASN A 131 2.571 12.848 0.421 1.00 0.00 H new ATOM 0 HA ASN A 131 1.839 14.027 -2.193 1.00 0.00 H new ATOM 0 HB2 ASN A 131 4.347 14.021 -1.585 1.00 0.00 H new ATOM 0 HB3 ASN A 131 4.262 12.271 -1.627 1.00 0.00 H new ATOM 0 HD21 ASN A 131 4.656 12.029 -5.063 1.00 0.00 H new ATOM 0 HD22 ASN A 131 4.783 11.340 -3.440 1.00 0.00 H new ATOM 2018 N ASN A 132 0.386 11.847 -1.869 1.00 0.00 N ATOM 2019 CA ASN A 132 -0.343 10.616 -2.120 1.00 0.00 C ATOM 2020 C ASN A 132 -0.544 10.445 -3.627 1.00 0.00 C ATOM 2021 O ASN A 132 -0.905 11.395 -4.321 1.00 0.00 O ATOM 2022 CB ASN A 132 -1.723 10.649 -1.460 1.00 0.00 C ATOM 2023 CG ASN A 132 -2.193 9.238 -1.100 1.00 0.00 C ATOM 2024 OD1 ASN A 132 -2.199 8.331 -1.915 1.00 0.00 O ATOM 2025 ND2 ASN A 132 -2.584 9.105 0.164 1.00 0.00 N ATOM 0 H ASN A 132 -0.200 12.657 -1.667 1.00 0.00 H new ATOM 0 HA ASN A 132 0.236 9.791 -1.705 1.00 0.00 H new ATOM 0 HB2 ASN A 132 -1.685 11.264 -0.561 1.00 0.00 H new ATOM 0 HB3 ASN A 132 -2.442 11.114 -2.135 1.00 0.00 H new ATOM 0 HD21 ASN A 132 -2.915 8.202 0.503 1.00 0.00 H new ATOM 0 HD22 ASN A 132 -2.553 9.906 0.794 1.00 0.00 H new ATOM 2032 N LEU A 133 -0.301 9.228 -4.090 1.00 0.00 N ATOM 2033 CA LEU A 133 -0.451 8.920 -5.503 1.00 0.00 C ATOM 2034 C LEU A 133 -1.847 8.344 -5.749 1.00 0.00 C ATOM 2035 O LEU A 133 -2.346 8.378 -6.873 1.00 0.00 O ATOM 2036 CB LEU A 133 0.683 8.009 -5.976 1.00 0.00 C ATOM 2037 CG LEU A 133 2.068 8.307 -5.398 1.00 0.00 C ATOM 2038 CD1 LEU A 133 3.171 7.798 -6.327 1.00 0.00 C ATOM 2039 CD2 LEU A 133 2.223 9.796 -5.085 1.00 0.00 C ATOM 0 H LEU A 133 -0.001 8.443 -3.512 1.00 0.00 H new ATOM 0 HA LEU A 133 -0.370 9.827 -6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 133 0.422 6.980 -5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.743 8.071 -7.063 1.00 0.00 H new ATOM 0 HG LEU A 133 2.168 7.769 -4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.145 8.023 -5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.070 6.720 -6.455 1.00 0.00 H new ATOM 0 HD13 LEU A 133 3.085 8.288 -7.297 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.216 9.980 -4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 133 2.094 10.375 -5.999 1.00 0.00 H new ATOM 0 HD23 LEU A 133 1.469 10.095 -4.357 1.00 0.00 H new ATOM 2051 N SER A 134 -2.436 7.828 -4.681 1.00 0.00 N ATOM 2052 CA SER A 134 -3.764 7.245 -4.768 1.00 0.00 C ATOM 2053 C SER A 134 -4.820 8.351 -4.807 1.00 0.00 C ATOM 2054 O SER A 134 -6.011 8.073 -4.938 1.00 0.00 O ATOM 2055 CB SER A 134 -4.029 6.300 -3.593 1.00 0.00 C ATOM 2056 OG SER A 134 -5.173 6.692 -2.840 1.00 0.00 O ATOM 0 H SER A 134 -2.018 7.801 -3.751 1.00 0.00 H new ATOM 0 HA SER A 134 -3.822 6.663 -5.688 1.00 0.00 H new ATOM 0 HB2 SER A 134 -4.172 5.287 -3.968 1.00 0.00 H new ATOM 0 HB3 SER A 134 -3.156 6.279 -2.941 1.00 0.00 H new ATOM 0 HG SER A 134 -5.058 6.420 -1.905 1.00 0.00 H new