USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 659 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 Single : A 19 HIS : no HD1:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -37:sc= 0.791 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot -102:sc= 0.36! USER MOD Single : A 62 HIS : no HE2:sc= -1.62 K(o=-1.6,f=-4.3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0447 X(o=-0.045,f=-0.045) USER MOD Single : A 71 LYS NZ :NH3+ -173:sc= -3.03! (180deg=-3.88!) USER MOD Single : A 72 SER OG : rot -175:sc= 0.769 USER MOD Single : A 74 THR OG1 : rot 120:sc= 0.0361 USER MOD Single : A 80 SER OG : rot 63:sc= 1.22 USER MOD Single : A 83 GLN : amide:sc= -0.0324 K(o=-0.032,f=-2.9!) USER MOD Single : A 84 LYS NZ :NH3+ -108:sc= -2.4 (180deg=-4.33!) USER MOD Single : A 85 ASN : amide:sc= 0.184 K(o=0.18,f=-0.86) USER MOD Single : A 86 LYS NZ :NH3+ -169:sc= 0.222 (180deg=0.0547) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 98 MET CE :methyl -179:sc= -1.15 (180deg=-1.15) USER MOD Single : A 100 HIS : no HD1:sc= -4.37! C(o=-4.4!,f=-8.3!) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 108 THR OG1 : rot -78:sc= 0.894 USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N HIS A 19 -2.153 -2.370 10.460 1.00 0.00 N ATOM 225 CA HIS A 19 -3.020 -2.667 9.322 1.00 0.00 C ATOM 226 C HIS A 19 -3.196 -4.166 9.102 1.00 0.00 C ATOM 227 O HIS A 19 -3.519 -4.590 8.003 1.00 0.00 O ATOM 228 CB HIS A 19 -2.478 -2.016 8.044 1.00 0.00 C ATOM 229 CG HIS A 19 -2.608 -0.524 8.024 1.00 0.00 C ATOM 230 ND1 HIS A 19 -3.809 0.136 7.896 1.00 0.00 N ATOM 231 CD2 HIS A 19 -1.659 0.441 8.117 1.00 0.00 C ATOM 232 CE1 HIS A 19 -3.560 1.453 7.910 1.00 0.00 C ATOM 233 NE2 HIS A 19 -2.270 1.690 8.047 1.00 0.00 N ATOM 0 HA HIS A 19 -3.999 -2.249 9.556 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.427 -2.281 7.930 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.006 -2.429 7.185 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.599 0.268 8.228 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -4.316 2.219 7.821 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.814 2.601 8.092 1.00 0.00 H new ATOM 240 N THR A 20 -2.961 -4.968 10.134 1.00 0.00 N ATOM 241 CA THR A 20 -3.093 -6.420 10.009 1.00 0.00 C ATOM 242 C THR A 20 -4.556 -6.842 9.794 1.00 0.00 C ATOM 243 O THR A 20 -5.415 -6.592 10.642 1.00 0.00 O ATOM 244 CB THR A 20 -2.546 -7.127 11.270 1.00 0.00 C ATOM 245 OG1 THR A 20 -1.206 -6.691 11.529 1.00 0.00 O ATOM 246 CG2 THR A 20 -2.560 -8.640 11.104 1.00 0.00 C ATOM 0 H THR A 20 -2.680 -4.644 11.060 1.00 0.00 H new ATOM 0 HA THR A 20 -2.512 -6.718 9.137 1.00 0.00 H new ATOM 0 HB THR A 20 -3.191 -6.865 12.109 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.865 -7.141 12.330 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.170 -9.109 12.007 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.582 -8.978 10.933 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.938 -8.918 10.253 1.00 0.00 H new ATOM 254 N LEU A 21 -4.821 -7.497 8.657 1.00 0.00 N ATOM 255 CA LEU A 21 -6.163 -7.979 8.316 1.00 0.00 C ATOM 256 C LEU A 21 -6.090 -9.006 7.183 1.00 0.00 C ATOM 257 O LEU A 21 -5.069 -9.110 6.505 1.00 0.00 O ATOM 258 CB LEU A 21 -7.077 -6.817 7.916 1.00 0.00 C ATOM 259 CG LEU A 21 -8.394 -6.726 8.695 1.00 0.00 C ATOM 260 CD1 LEU A 21 -8.592 -5.320 9.242 1.00 0.00 C ATOM 261 CD2 LEU A 21 -9.567 -7.125 7.814 1.00 0.00 C ATOM 0 H LEU A 21 -4.115 -7.706 7.952 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.584 -8.458 9.200 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.530 -5.883 8.048 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.307 -6.905 6.854 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.345 -7.420 9.534 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.532 -5.273 9.792 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.767 -5.070 9.910 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.619 -4.609 8.416 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.492 -7.054 8.386 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.620 -6.458 6.954 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.431 -8.150 7.470 1.00 0.00 H new ATOM 273 N LEU A 22 -7.165 -9.776 7.000 1.00 0.00 N ATOM 274 CA LEU A 22 -7.217 -10.814 5.960 1.00 0.00 C ATOM 275 C LEU A 22 -7.140 -10.258 4.529 1.00 0.00 C ATOM 276 O LEU A 22 -6.334 -10.721 3.726 1.00 0.00 O ATOM 277 CB LEU A 22 -8.500 -11.640 6.122 1.00 0.00 C ATOM 278 CG LEU A 22 -8.720 -12.734 5.070 1.00 0.00 C ATOM 279 CD1 LEU A 22 -7.616 -13.781 5.137 1.00 0.00 C ATOM 280 CD2 LEU A 22 -10.082 -13.381 5.256 1.00 0.00 C ATOM 0 H LEU A 22 -8.015 -9.702 7.559 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.334 -11.437 6.099 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.489 -12.105 7.108 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.353 -10.962 6.099 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.687 -12.271 4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.794 -14.546 4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.652 -13.306 4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.610 -14.241 6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.223 -14.155 4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.141 -13.827 6.249 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.861 -12.626 5.151 1.00 0.00 H new ATOM 292 N PHE A 23 -7.978 -9.268 4.212 1.00 0.00 N ATOM 293 CA PHE A 23 -7.990 -8.688 2.863 1.00 0.00 C ATOM 294 C PHE A 23 -6.940 -7.595 2.721 1.00 0.00 C ATOM 295 O PHE A 23 -6.330 -7.420 1.665 1.00 0.00 O ATOM 296 CB PHE A 23 -9.375 -8.130 2.532 1.00 0.00 C ATOM 297 CG PHE A 23 -10.442 -9.183 2.422 1.00 0.00 C ATOM 298 CD1 PHE A 23 -11.260 -9.479 3.500 1.00 0.00 C ATOM 299 CD2 PHE A 23 -10.621 -9.883 1.239 1.00 0.00 C ATOM 300 CE1 PHE A 23 -12.238 -10.450 3.401 1.00 0.00 C ATOM 301 CE2 PHE A 23 -11.596 -10.854 1.131 1.00 0.00 C ATOM 302 CZ PHE A 23 -12.406 -11.139 2.215 1.00 0.00 C ATOM 0 H PHE A 23 -8.649 -8.855 4.859 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.750 -9.484 2.158 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.662 -7.414 3.302 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -9.320 -7.581 1.592 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.132 -8.944 4.429 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.989 -9.666 0.391 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -12.870 -10.670 4.249 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -11.726 -11.390 0.202 1.00 0.00 H new ATOM 0 HZ PHE A 23 -13.169 -11.899 2.135 1.00 0.00 H new ATOM 312 N ASP A 24 -6.743 -6.860 3.799 1.00 0.00 N ATOM 313 CA ASP A 24 -5.763 -5.788 3.846 1.00 0.00 C ATOM 314 C ASP A 24 -4.611 -6.200 4.739 1.00 0.00 C ATOM 315 O ASP A 24 -4.492 -5.716 5.855 1.00 0.00 O ATOM 316 CB ASP A 24 -6.351 -4.438 4.297 1.00 0.00 C ATOM 317 CG ASP A 24 -7.400 -4.541 5.390 1.00 0.00 C ATOM 318 OD1 ASP A 24 -8.399 -5.271 5.201 1.00 0.00 O ATOM 319 OD2 ASP A 24 -7.232 -3.875 6.433 1.00 0.00 O ATOM 0 H ASP A 24 -7.259 -6.989 4.670 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.409 -5.629 2.828 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.539 -3.802 4.649 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.793 -3.942 3.433 1.00 0.00 H new ATOM 324 N LEU A 25 -3.822 -7.159 4.250 1.00 0.00 N ATOM 325 CA LEU A 25 -2.662 -7.692 4.971 1.00 0.00 C ATOM 326 C LEU A 25 -1.810 -6.566 5.570 1.00 0.00 C ATOM 327 O LEU A 25 -1.857 -5.431 5.090 1.00 0.00 O ATOM 328 CB LEU A 25 -1.803 -8.535 4.018 1.00 0.00 C ATOM 329 CG LEU A 25 -2.498 -9.770 3.441 1.00 0.00 C ATOM 330 CD1 LEU A 25 -1.623 -10.442 2.396 1.00 0.00 C ATOM 331 CD2 LEU A 25 -2.862 -10.753 4.546 1.00 0.00 C ATOM 0 H LEU A 25 -3.970 -7.591 3.338 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.029 -8.313 5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.475 -7.903 3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.907 -8.856 4.549 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.419 -9.443 2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.137 -11.318 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.421 -9.742 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.682 -10.750 2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.355 -11.623 4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.957 -11.070 5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.535 -10.271 5.255 1.00 0.00 H new ATOM 343 N PRO A 26 -1.043 -6.883 6.646 1.00 0.00 N ATOM 344 CA PRO A 26 -0.177 -5.934 7.367 1.00 0.00 C ATOM 345 C PRO A 26 0.498 -4.875 6.483 1.00 0.00 C ATOM 346 O PRO A 26 0.649 -5.059 5.271 1.00 0.00 O ATOM 347 CB PRO A 26 0.891 -6.842 7.983 1.00 0.00 C ATOM 348 CG PRO A 26 0.295 -8.214 8.064 1.00 0.00 C ATOM 349 CD PRO A 26 -0.988 -8.215 7.270 1.00 0.00 C ATOM 0 HA PRO A 26 -0.764 -5.349 8.075 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.794 -6.848 7.372 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.178 -6.486 8.972 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.989 -8.955 7.667 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.101 -8.484 9.102 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.988 -9.005 6.518 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.851 -8.387 7.913 1.00 0.00 H new ATOM 357 N PRO A 27 0.964 -3.763 7.108 1.00 0.00 N ATOM 358 CA PRO A 27 1.617 -2.638 6.422 1.00 0.00 C ATOM 359 C PRO A 27 2.735 -3.033 5.462 1.00 0.00 C ATOM 360 O PRO A 27 3.230 -2.196 4.729 1.00 0.00 O ATOM 361 CB PRO A 27 2.202 -1.810 7.559 1.00 0.00 C ATOM 362 CG PRO A 27 1.298 -2.069 8.700 1.00 0.00 C ATOM 363 CD PRO A 27 0.858 -3.501 8.556 1.00 0.00 C ATOM 0 HA PRO A 27 0.892 -2.121 5.793 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.225 -2.111 7.785 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.230 -0.750 7.306 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.810 -1.911 9.649 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.443 -1.393 8.683 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.494 -4.174 9.131 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.162 -3.643 8.914 1.00 0.00 H new ATOM 371 N ALA A 28 3.138 -4.297 5.471 1.00 0.00 N ATOM 372 CA ALA A 28 4.191 -4.769 4.585 1.00 0.00 C ATOM 373 C ALA A 28 3.861 -4.436 3.128 1.00 0.00 C ATOM 374 O ALA A 28 4.759 -4.147 2.338 1.00 0.00 O ATOM 375 CB ALA A 28 4.389 -6.268 4.755 1.00 0.00 C ATOM 0 H ALA A 28 2.750 -5.014 6.084 1.00 0.00 H new ATOM 0 HA ALA A 28 5.118 -4.261 4.850 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.180 -6.609 4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.668 -6.483 5.786 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.461 -6.787 4.514 1.00 0.00 H new ATOM 381 N LEU A 29 2.576 -4.485 2.770 1.00 0.00 N ATOM 382 CA LEU A 29 2.182 -4.159 1.404 1.00 0.00 C ATOM 383 C LEU A 29 1.459 -2.808 1.300 1.00 0.00 C ATOM 384 O LEU A 29 2.067 -1.810 0.931 1.00 0.00 O ATOM 385 CB LEU A 29 1.304 -5.264 0.814 1.00 0.00 C ATOM 386 CG LEU A 29 1.523 -5.510 -0.677 1.00 0.00 C ATOM 387 CD1 LEU A 29 2.969 -5.905 -0.938 1.00 0.00 C ATOM 388 CD2 LEU A 29 0.574 -6.580 -1.188 1.00 0.00 C ATOM 0 H LEU A 29 1.809 -4.741 3.392 1.00 0.00 H new ATOM 0 HA LEU A 29 3.104 -4.080 0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.494 -6.191 1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.257 -5.007 0.978 1.00 0.00 H new ATOM 0 HG LEU A 29 1.314 -4.586 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.112 -6.078 -2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.630 -5.104 -0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.202 -6.817 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.746 -6.741 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.750 -7.510 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.456 -6.258 -1.031 1.00 0.00 H new ATOM 400 N LEU A 30 0.175 -2.770 1.663 1.00 0.00 N ATOM 401 CA LEU A 30 -0.627 -1.539 1.559 1.00 0.00 C ATOM 402 C LEU A 30 -0.087 -0.392 2.416 1.00 0.00 C ATOM 403 O LEU A 30 0.079 0.719 1.921 1.00 0.00 O ATOM 404 CB LEU A 30 -2.082 -1.833 1.962 1.00 0.00 C ATOM 405 CG LEU A 30 -3.040 -0.635 1.901 1.00 0.00 C ATOM 406 CD1 LEU A 30 -3.177 -0.120 0.477 1.00 0.00 C ATOM 407 CD2 LEU A 30 -4.401 -1.014 2.463 1.00 0.00 C ATOM 0 H LEU A 30 -0.335 -3.573 2.031 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.570 -1.216 0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.469 -2.619 1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.086 -2.228 2.978 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.622 0.165 2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.861 0.729 0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.201 0.194 0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.568 -0.913 -0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.068 -0.153 2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.821 -1.833 1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.291 -1.327 3.501 1.00 0.00 H new ATOM 419 N GLY A 31 0.205 -0.664 3.686 1.00 0.00 N ATOM 420 CA GLY A 31 0.675 0.385 4.582 1.00 0.00 C ATOM 421 C GLY A 31 1.990 1.038 4.169 1.00 0.00 C ATOM 422 O GLY A 31 2.071 2.261 4.044 1.00 0.00 O ATOM 0 H GLY A 31 0.126 -1.588 4.111 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.092 1.157 4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.792 -0.035 5.581 1.00 0.00 H new ATOM 426 N GLU A 32 3.011 0.226 3.933 1.00 0.00 N ATOM 427 CA GLU A 32 4.330 0.726 3.564 1.00 0.00 C ATOM 428 C GLU A 32 4.377 1.279 2.142 1.00 0.00 C ATOM 429 O GLU A 32 4.994 2.316 1.907 1.00 0.00 O ATOM 430 CB GLU A 32 5.374 -0.377 3.747 1.00 0.00 C ATOM 431 CG GLU A 32 6.815 0.117 3.689 1.00 0.00 C ATOM 432 CD GLU A 32 7.231 0.873 4.941 1.00 0.00 C ATOM 433 OE1 GLU A 32 6.389 1.038 5.852 1.00 0.00 O ATOM 434 OE2 GLU A 32 8.405 1.285 5.018 1.00 0.00 O ATOM 0 H GLU A 32 2.951 -0.791 3.991 1.00 0.00 H new ATOM 0 HA GLU A 32 4.557 1.560 4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.207 -0.866 4.707 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.228 -1.133 2.975 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.480 -0.734 3.547 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.937 0.765 2.821 1.00 0.00 H new ATOM 441 N LEU A 33 3.739 0.590 1.192 1.00 0.00 N ATOM 442 CA LEU A 33 3.751 1.050 -0.197 1.00 0.00 C ATOM 443 C LEU A 33 3.018 2.378 -0.357 1.00 0.00 C ATOM 444 O LEU A 33 3.454 3.237 -1.119 1.00 0.00 O ATOM 445 CB LEU A 33 3.173 -0.002 -1.160 1.00 0.00 C ATOM 446 CG LEU A 33 4.024 -1.265 -1.328 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.294 -2.287 -2.188 1.00 0.00 C ATOM 448 CD2 LEU A 33 5.380 -0.928 -1.933 1.00 0.00 C ATOM 0 H LEU A 33 3.218 -0.271 1.355 1.00 0.00 H new ATOM 0 HA LEU A 33 4.797 1.204 -0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.184 -0.293 -0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.037 0.459 -2.138 1.00 0.00 H new ATOM 0 HG LEU A 33 4.191 -1.698 -0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.912 -3.178 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.351 -2.556 -1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.096 -1.860 -3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.966 -1.840 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.238 -0.468 -2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.908 -0.234 -1.279 1.00 0.00 H new ATOM 460 N CYS A 34 1.907 2.557 0.355 1.00 0.00 N ATOM 461 CA CYS A 34 1.159 3.807 0.252 1.00 0.00 C ATOM 462 C CYS A 34 1.900 4.959 0.939 1.00 0.00 C ATOM 463 O CYS A 34 1.770 6.115 0.541 1.00 0.00 O ATOM 464 CB CYS A 34 -0.247 3.665 0.848 1.00 0.00 C ATOM 465 SG CYS A 34 -0.303 3.634 2.657 1.00 0.00 S ATOM 0 H CYS A 34 1.512 1.869 0.996 1.00 0.00 H new ATOM 0 HA CYS A 34 1.067 4.037 -0.809 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.862 4.492 0.493 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.697 2.747 0.468 1.00 0.00 H new ATOM 0 HG CYS A 34 0.731 2.990 3.112 1.00 0.00 H new ATOM 471 N ALA A 35 2.681 4.633 1.971 1.00 0.00 N ATOM 472 CA ALA A 35 3.420 5.648 2.723 1.00 0.00 C ATOM 473 C ALA A 35 4.777 6.003 2.102 1.00 0.00 C ATOM 474 O ALA A 35 5.023 7.158 1.753 1.00 0.00 O ATOM 475 CB ALA A 35 3.612 5.186 4.159 1.00 0.00 C ATOM 0 H ALA A 35 2.818 3.678 2.304 1.00 0.00 H new ATOM 0 HA ALA A 35 2.819 6.557 2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.163 5.945 4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.639 5.030 4.624 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.172 4.251 4.169 1.00 0.00 H new ATOM 481 N VAL A 36 5.650 5.007 1.970 1.00 0.00 N ATOM 482 CA VAL A 36 7.001 5.215 1.438 1.00 0.00 C ATOM 483 C VAL A 36 7.015 5.682 -0.020 1.00 0.00 C ATOM 484 O VAL A 36 7.753 6.609 -0.366 1.00 0.00 O ATOM 485 CB VAL A 36 7.863 3.940 1.595 1.00 0.00 C ATOM 486 CG1 VAL A 36 9.179 4.059 0.837 1.00 0.00 C ATOM 487 CG2 VAL A 36 8.129 3.679 3.067 1.00 0.00 C ATOM 0 H VAL A 36 5.447 4.041 2.225 1.00 0.00 H new ATOM 0 HA VAL A 36 7.433 6.020 2.033 1.00 0.00 H new ATOM 0 HB VAL A 36 7.310 3.102 1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.759 3.146 0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.976 4.209 -0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.745 4.907 1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.736 2.780 3.173 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.660 4.528 3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.182 3.541 3.589 1.00 0.00 H new ATOM 497 N LEU A 37 6.201 5.064 -0.870 1.00 0.00 N ATOM 498 CA LEU A 37 6.175 5.437 -2.285 1.00 0.00 C ATOM 499 C LEU A 37 5.534 6.810 -2.468 1.00 0.00 C ATOM 500 O LEU A 37 5.707 7.450 -3.500 1.00 0.00 O ATOM 501 CB LEU A 37 5.438 4.392 -3.119 1.00 0.00 C ATOM 502 CG LEU A 37 6.022 2.979 -3.058 1.00 0.00 C ATOM 503 CD1 LEU A 37 5.172 2.023 -3.870 1.00 0.00 C ATOM 504 CD2 LEU A 37 7.459 2.965 -3.556 1.00 0.00 C ATOM 0 H LEU A 37 5.559 4.314 -0.612 1.00 0.00 H new ATOM 0 HA LEU A 37 7.206 5.483 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.400 4.353 -2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.430 4.720 -4.158 1.00 0.00 H new ATOM 0 HG LEU A 37 6.019 2.653 -2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.599 1.022 -3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.159 2.006 -3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.146 2.352 -4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.853 1.950 -3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.490 3.313 -4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.066 3.622 -2.934 1.00 0.00 H new ATOM 516 N ASP A 38 4.778 7.251 -1.468 1.00 0.00 N ATOM 517 CA ASP A 38 4.129 8.560 -1.508 1.00 0.00 C ATOM 518 C ASP A 38 5.170 9.674 -1.616 1.00 0.00 C ATOM 519 O ASP A 38 4.957 10.677 -2.299 1.00 0.00 O ATOM 520 CB ASP A 38 3.261 8.763 -0.262 1.00 0.00 C ATOM 521 CG ASP A 38 2.650 10.148 -0.183 1.00 0.00 C ATOM 522 OD1 ASP A 38 1.549 10.343 -0.732 1.00 0.00 O ATOM 523 OD2 ASP A 38 3.272 11.040 0.431 1.00 0.00 O ATOM 0 H ASP A 38 4.598 6.720 -0.616 1.00 0.00 H new ATOM 0 HA ASP A 38 3.489 8.599 -2.390 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.464 8.020 -0.257 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.866 8.588 0.628 1.00 0.00 H new ATOM 528 N SER A 39 6.294 9.482 -0.933 1.00 0.00 N ATOM 529 CA SER A 39 7.382 10.457 -0.931 1.00 0.00 C ATOM 530 C SER A 39 8.250 10.318 -2.183 1.00 0.00 C ATOM 531 O SER A 39 9.246 11.025 -2.341 1.00 0.00 O ATOM 532 CB SER A 39 8.253 10.270 0.312 1.00 0.00 C ATOM 533 OG SER A 39 7.499 10.444 1.502 1.00 0.00 O ATOM 0 H SER A 39 6.477 8.652 -0.368 1.00 0.00 H new ATOM 0 HA SER A 39 6.938 11.453 -0.923 1.00 0.00 H new ATOM 0 HB2 SER A 39 8.696 9.274 0.302 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.076 10.985 0.293 1.00 0.00 H new ATOM 0 HG SER A 39 8.081 10.317 2.280 1.00 0.00 H new ATOM 539 N CYS A 40 7.874 9.389 -3.061 1.00 0.00 N ATOM 540 CA CYS A 40 8.616 9.141 -4.293 1.00 0.00 C ATOM 541 C CYS A 40 8.591 10.346 -5.224 1.00 0.00 C ATOM 542 O CYS A 40 7.563 10.997 -5.399 1.00 0.00 O ATOM 543 CB CYS A 40 8.057 7.926 -5.027 1.00 0.00 C ATOM 544 SG CYS A 40 8.907 7.556 -6.569 1.00 0.00 S ATOM 0 H CYS A 40 7.055 8.793 -2.939 1.00 0.00 H new ATOM 0 HA CYS A 40 9.650 8.950 -4.005 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.118 7.057 -4.372 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.001 8.094 -5.236 1.00 0.00 H new ATOM 0 HG CYS A 40 8.192 7.975 -7.570 1.00 0.00 H new ATOM 550 N ASP A 41 9.735 10.616 -5.832 1.00 0.00 N ATOM 551 CA ASP A 41 9.882 11.733 -6.753 1.00 0.00 C ATOM 552 C ASP A 41 10.515 11.239 -8.050 1.00 0.00 C ATOM 553 O ASP A 41 11.423 11.864 -8.596 1.00 0.00 O ATOM 554 CB ASP A 41 10.737 12.838 -6.128 1.00 0.00 C ATOM 555 CG ASP A 41 10.510 14.187 -6.782 1.00 0.00 C ATOM 556 OD1 ASP A 41 9.469 14.355 -7.452 1.00 0.00 O ATOM 557 OD2 ASP A 41 11.371 15.076 -6.620 1.00 0.00 O ATOM 0 H ASP A 41 10.586 10.069 -5.702 1.00 0.00 H new ATOM 0 HA ASP A 41 8.898 12.150 -6.968 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.510 12.911 -5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.790 12.570 -6.212 1.00 0.00 H new ATOM 562 N GLY A 42 10.030 10.094 -8.518 1.00 0.00 N ATOM 563 CA GLY A 42 10.541 9.502 -9.742 1.00 0.00 C ATOM 564 C GLY A 42 11.618 8.459 -9.487 1.00 0.00 C ATOM 565 O GLY A 42 11.966 7.698 -10.386 1.00 0.00 O ATOM 0 H GLY A 42 9.286 9.561 -8.068 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.718 9.042 -10.289 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.946 10.288 -10.379 1.00 0.00 H new ATOM 569 N ALA A 43 12.147 8.427 -8.261 1.00 0.00 N ATOM 570 CA ALA A 43 13.187 7.463 -7.896 1.00 0.00 C ATOM 571 C ALA A 43 12.674 6.024 -7.966 1.00 0.00 C ATOM 572 O ALA A 43 13.366 5.132 -8.457 1.00 0.00 O ATOM 573 CB ALA A 43 13.718 7.766 -6.502 1.00 0.00 C ATOM 0 H ALA A 43 11.873 9.056 -7.506 1.00 0.00 H new ATOM 0 HA ALA A 43 13.998 7.560 -8.618 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.491 7.043 -6.242 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.141 8.771 -6.484 1.00 0.00 H new ATOM 0 HB3 ALA A 43 12.903 7.702 -5.781 1.00 0.00 H new ATOM 579 N LEU A 44 11.461 5.806 -7.467 1.00 0.00 N ATOM 580 CA LEU A 44 10.848 4.477 -7.492 1.00 0.00 C ATOM 581 C LEU A 44 9.651 4.471 -8.429 1.00 0.00 C ATOM 582 O LEU A 44 9.184 3.414 -8.851 1.00 0.00 O ATOM 583 CB LEU A 44 10.407 4.051 -6.083 1.00 0.00 C ATOM 584 CG LEU A 44 11.523 4.028 -5.031 1.00 0.00 C ATOM 585 CD1 LEU A 44 10.964 3.674 -3.662 1.00 0.00 C ATOM 586 CD2 LEU A 44 12.613 3.042 -5.431 1.00 0.00 C ATOM 0 H LEU A 44 10.882 6.529 -7.041 1.00 0.00 H new ATOM 0 HA LEU A 44 11.592 3.766 -7.852 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.623 4.729 -5.744 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.965 3.057 -6.143 1.00 0.00 H new ATOM 0 HG LEU A 44 11.960 5.025 -4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.772 3.663 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.220 4.415 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.498 2.689 -3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.397 3.039 -4.673 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.186 2.043 -5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.037 3.338 -6.390 1.00 0.00 H new ATOM 598 N GLY A 45 9.165 5.667 -8.750 1.00 0.00 N ATOM 599 CA GLY A 45 8.017 5.814 -9.623 1.00 0.00 C ATOM 600 C GLY A 45 6.718 5.408 -8.950 1.00 0.00 C ATOM 601 O GLY A 45 6.471 4.219 -8.764 1.00 0.00 O ATOM 0 H GLY A 45 9.554 6.548 -8.414 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.944 6.851 -9.950 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.164 5.208 -10.517 1.00 0.00 H new ATOM 605 N TRP A 46 5.887 6.389 -8.573 1.00 0.00 N ATOM 606 CA TRP A 46 4.590 6.085 -7.947 1.00 0.00 C ATOM 607 C TRP A 46 3.807 5.080 -8.803 1.00 0.00 C ATOM 608 O TRP A 46 3.338 4.057 -8.307 1.00 0.00 O ATOM 609 CB TRP A 46 3.764 7.367 -7.739 1.00 0.00 C ATOM 610 CG TRP A 46 3.860 8.363 -8.861 1.00 0.00 C ATOM 611 CD1 TRP A 46 3.095 8.404 -9.992 1.00 0.00 C ATOM 612 CD2 TRP A 46 4.757 9.476 -8.945 1.00 0.00 C ATOM 613 NE1 TRP A 46 3.477 9.460 -10.784 1.00 0.00 N ATOM 614 CE2 TRP A 46 4.492 10.136 -10.162 1.00 0.00 C ATOM 615 CE3 TRP A 46 5.764 9.975 -8.117 1.00 0.00 C ATOM 616 CZ2 TRP A 46 5.196 11.268 -10.563 1.00 0.00 C ATOM 617 CZ3 TRP A 46 6.460 11.100 -8.516 1.00 0.00 C ATOM 618 CH2 TRP A 46 6.173 11.736 -9.730 1.00 0.00 C ATOM 0 H TRP A 46 6.083 7.383 -8.687 1.00 0.00 H new ATOM 0 HA TRP A 46 4.781 5.642 -6.970 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.718 7.092 -7.604 1.00 0.00 H new ATOM 0 HB3 TRP A 46 4.089 7.847 -6.816 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.305 7.707 -10.229 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.071 9.701 -11.688 1.00 0.00 H new ATOM 0 HE3 TRP A 46 5.995 9.490 -7.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.978 11.759 -11.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 7.239 11.496 -7.881 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.735 12.614 -10.014 1.00 0.00 H new ATOM 629 N ARG A 47 3.655 5.395 -10.088 1.00 0.00 N ATOM 630 CA ARG A 47 2.977 4.508 -11.032 1.00 0.00 C ATOM 631 C ARG A 47 3.927 3.456 -11.598 1.00 0.00 C ATOM 632 O ARG A 47 3.519 2.634 -12.395 1.00 0.00 O ATOM 633 CB ARG A 47 2.331 5.288 -12.183 1.00 0.00 C ATOM 634 CG ARG A 47 3.324 6.065 -13.034 1.00 0.00 C ATOM 635 CD ARG A 47 2.618 6.979 -14.021 1.00 0.00 C ATOM 636 NE ARG A 47 3.564 7.751 -14.825 1.00 0.00 N ATOM 637 CZ ARG A 47 4.127 7.302 -15.945 1.00 0.00 C ATOM 638 NH1 ARG A 47 4.988 8.066 -16.607 1.00 0.00 N ATOM 639 NH2 ARG A 47 3.826 6.093 -16.405 1.00 0.00 N ATOM 0 H ARG A 47 3.995 6.263 -10.501 1.00 0.00 H new ATOM 0 HA ARG A 47 2.191 4.004 -10.469 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.787 4.591 -12.821 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.598 5.982 -11.772 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.973 6.657 -12.388 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.964 5.368 -13.576 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.985 6.383 -14.679 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.962 7.660 -13.479 1.00 0.00 H new ATOM 0 HE ARG A 47 3.807 8.690 -14.509 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.218 8.996 -16.257 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.420 7.723 -17.465 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.162 5.506 -15.900 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.259 5.752 -17.263 1.00 0.00 H new ATOM 653 N GLY A 48 5.190 3.483 -11.186 1.00 0.00 N ATOM 654 CA GLY A 48 6.167 2.535 -11.714 1.00 0.00 C ATOM 655 C GLY A 48 5.776 1.095 -11.476 1.00 0.00 C ATOM 656 O GLY A 48 5.963 0.242 -12.343 1.00 0.00 O ATOM 0 H GLY A 48 5.558 4.140 -10.498 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.286 2.702 -12.785 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.136 2.724 -11.252 1.00 0.00 H new ATOM 660 N LEU A 49 5.219 0.828 -10.310 1.00 0.00 N ATOM 661 CA LEU A 49 4.792 -0.516 -9.958 1.00 0.00 C ATOM 662 C LEU A 49 3.384 -0.793 -10.489 1.00 0.00 C ATOM 663 O LEU A 49 3.124 -1.851 -11.066 1.00 0.00 O ATOM 664 CB LEU A 49 4.831 -0.683 -8.435 1.00 0.00 C ATOM 665 CG LEU A 49 5.810 0.251 -7.713 1.00 0.00 C ATOM 666 CD1 LEU A 49 5.080 1.467 -7.168 1.00 0.00 C ATOM 667 CD2 LEU A 49 6.529 -0.486 -6.593 1.00 0.00 C ATOM 0 H LEU A 49 5.050 1.527 -9.586 1.00 0.00 H new ATOM 0 HA LEU A 49 5.472 -1.234 -10.416 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.830 -0.514 -8.039 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.096 -1.715 -8.203 1.00 0.00 H new ATOM 0 HG LEU A 49 6.555 0.589 -8.433 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.789 2.119 -6.659 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.613 2.010 -7.990 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.313 1.145 -6.464 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.219 0.195 -6.094 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.799 -0.855 -5.873 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.085 -1.326 -7.009 1.00 0.00 H new ATOM 679 N ALA A 50 2.478 0.168 -10.296 1.00 0.00 N ATOM 680 CA ALA A 50 1.092 0.030 -10.750 1.00 0.00 C ATOM 681 C ALA A 50 0.976 -0.098 -12.270 1.00 0.00 C ATOM 682 O ALA A 50 0.178 -0.893 -12.770 1.00 0.00 O ATOM 683 CB ALA A 50 0.271 1.211 -10.280 1.00 0.00 C ATOM 0 H ALA A 50 2.679 1.051 -9.828 1.00 0.00 H new ATOM 0 HA ALA A 50 0.710 -0.893 -10.315 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.758 1.099 -10.623 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.288 1.255 -9.191 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.691 2.131 -10.687 1.00 0.00 H new ATOM 689 N GLU A 51 1.776 0.683 -12.991 1.00 0.00 N ATOM 690 CA GLU A 51 1.755 0.692 -14.450 1.00 0.00 C ATOM 691 C GLU A 51 2.121 -0.682 -15.012 1.00 0.00 C ATOM 692 O GLU A 51 1.532 -1.136 -15.993 1.00 0.00 O ATOM 693 CB GLU A 51 2.721 1.754 -14.997 1.00 0.00 C ATOM 694 CG GLU A 51 2.733 1.864 -16.518 1.00 0.00 C ATOM 695 CD GLU A 51 1.415 2.359 -17.088 1.00 0.00 C ATOM 696 OE1 GLU A 51 0.627 2.963 -16.329 1.00 0.00 O ATOM 697 OE2 GLU A 51 1.175 2.146 -18.294 1.00 0.00 O ATOM 0 H GLU A 51 2.455 1.325 -12.582 1.00 0.00 H new ATOM 0 HA GLU A 51 0.741 0.937 -14.767 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.454 2.723 -14.576 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.729 1.524 -14.653 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.531 2.542 -16.821 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.964 0.888 -16.945 1.00 0.00 H new ATOM 704 N ARG A 52 3.117 -1.326 -14.405 1.00 0.00 N ATOM 705 CA ARG A 52 3.551 -2.646 -14.848 1.00 0.00 C ATOM 706 C ARG A 52 2.451 -3.686 -14.657 1.00 0.00 C ATOM 707 O ARG A 52 2.257 -4.552 -15.512 1.00 0.00 O ATOM 708 CB ARG A 52 4.818 -3.084 -14.105 1.00 0.00 C ATOM 709 CG ARG A 52 6.055 -2.293 -14.496 1.00 0.00 C ATOM 710 CD ARG A 52 7.301 -2.817 -13.802 1.00 0.00 C ATOM 711 NE ARG A 52 8.490 -2.052 -14.171 1.00 0.00 N ATOM 712 CZ ARG A 52 9.187 -2.250 -15.290 1.00 0.00 C ATOM 713 NH1 ARG A 52 10.257 -1.511 -15.544 1.00 0.00 N ATOM 714 NH2 ARG A 52 8.811 -3.187 -16.154 1.00 0.00 N ATOM 0 H ARG A 52 3.635 -0.955 -13.609 1.00 0.00 H new ATOM 0 HA ARG A 52 3.775 -2.573 -15.912 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.654 -2.980 -13.032 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.996 -4.142 -14.300 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.192 -2.343 -15.576 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.911 -1.243 -14.241 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.161 -2.773 -12.722 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.448 -3.865 -14.062 1.00 0.00 H new ATOM 0 HE ARG A 52 8.806 -1.322 -13.533 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.548 -0.790 -14.883 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.790 -1.663 -16.400 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.987 -3.757 -15.962 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.346 -3.336 -17.009 1.00 0.00 H new ATOM 851 N ASP A 61 -4.332 9.277 -15.128 1.00 0.00 N ATOM 852 CA ASP A 61 -4.928 10.597 -14.947 1.00 0.00 C ATOM 853 C ASP A 61 -5.190 10.879 -13.473 1.00 0.00 C ATOM 854 O ASP A 61 -4.868 11.955 -12.973 1.00 0.00 O ATOM 855 CB ASP A 61 -6.233 10.712 -15.740 1.00 0.00 C ATOM 856 CG ASP A 61 -6.853 12.092 -15.639 1.00 0.00 C ATOM 857 OD1 ASP A 61 -6.245 13.054 -16.154 1.00 0.00 O ATOM 858 OD2 ASP A 61 -7.947 12.210 -15.052 1.00 0.00 O ATOM 0 HA ASP A 61 -4.221 11.337 -15.321 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.040 10.480 -16.787 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.943 9.970 -15.375 1.00 0.00 H new ATOM 863 N HIS A 62 -5.773 9.905 -12.780 1.00 0.00 N ATOM 864 CA HIS A 62 -6.077 10.064 -11.364 1.00 0.00 C ATOM 865 C HIS A 62 -4.888 9.702 -10.468 1.00 0.00 C ATOM 866 O HIS A 62 -4.894 10.017 -9.277 1.00 0.00 O ATOM 867 CB HIS A 62 -7.333 9.290 -10.963 1.00 0.00 C ATOM 868 CG HIS A 62 -7.292 7.823 -11.236 1.00 0.00 C ATOM 869 ND1 HIS A 62 -7.873 7.231 -12.334 1.00 0.00 N ATOM 870 CD2 HIS A 62 -6.739 6.821 -10.514 1.00 0.00 C ATOM 871 CE1 HIS A 62 -7.666 5.912 -12.244 1.00 0.00 C ATOM 872 NE2 HIS A 62 -6.980 5.612 -11.159 1.00 0.00 N ATOM 0 H HIS A 62 -6.042 9.003 -13.174 1.00 0.00 H new ATOM 0 HA HIS A 62 -6.280 11.124 -11.209 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -7.508 9.440 -9.898 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -8.187 9.717 -11.489 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -8.372 7.712 -13.083 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.198 6.940 -9.587 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -8.015 5.188 -12.966 1.00 0.00 H new ATOM 879 N ILE A 63 -3.881 9.024 -11.028 1.00 0.00 N ATOM 880 CA ILE A 63 -2.682 8.669 -10.262 1.00 0.00 C ATOM 881 C ILE A 63 -2.006 9.947 -9.746 1.00 0.00 C ATOM 882 O ILE A 63 -1.519 10.004 -8.617 1.00 0.00 O ATOM 883 CB ILE A 63 -1.672 7.832 -11.092 1.00 0.00 C ATOM 884 CG1 ILE A 63 -2.221 6.422 -11.332 1.00 0.00 C ATOM 885 CG2 ILE A 63 -0.317 7.761 -10.402 1.00 0.00 C ATOM 886 CD1 ILE A 63 -1.408 5.607 -12.317 1.00 0.00 C ATOM 0 H ILE A 63 -3.871 8.713 -11.999 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.999 8.047 -9.425 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.535 8.327 -12.053 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.260 5.891 -10.381 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.245 6.499 -11.697 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.369 7.168 -11.007 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.083 8.768 -10.281 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.431 7.296 -9.423 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.859 4.622 -12.434 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.390 6.115 -13.281 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.389 5.498 -11.945 1.00 0.00 H new ATOM 898 N GLU A 64 -1.973 10.968 -10.593 1.00 0.00 N ATOM 899 CA GLU A 64 -1.386 12.255 -10.226 1.00 0.00 C ATOM 900 C GLU A 64 -2.271 13.016 -9.227 1.00 0.00 C ATOM 901 O GLU A 64 -1.798 13.910 -8.528 1.00 0.00 O ATOM 902 CB GLU A 64 -1.169 13.111 -11.476 1.00 0.00 C ATOM 903 CG GLU A 64 -0.072 12.593 -12.393 1.00 0.00 C ATOM 904 CD GLU A 64 -0.011 13.344 -13.710 1.00 0.00 C ATOM 905 OE1 GLU A 64 -0.990 14.040 -14.046 1.00 0.00 O ATOM 906 OE2 GLU A 64 1.025 13.243 -14.402 1.00 0.00 O ATOM 0 H GLU A 64 -2.346 10.932 -11.542 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.427 12.056 -9.747 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.103 13.163 -12.036 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.924 14.128 -11.170 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.890 12.676 -11.886 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.238 11.534 -12.590 1.00 0.00 H new ATOM 913 N LYS A 65 -3.558 12.670 -9.179 1.00 0.00 N ATOM 914 CA LYS A 65 -4.509 13.347 -8.290 1.00 0.00 C ATOM 915 C LYS A 65 -4.342 12.968 -6.813 1.00 0.00 C ATOM 916 O LYS A 65 -4.210 13.843 -5.958 1.00 0.00 O ATOM 917 CB LYS A 65 -5.947 13.045 -8.724 1.00 0.00 C ATOM 918 CG LYS A 65 -6.580 14.138 -9.573 1.00 0.00 C ATOM 919 CD LYS A 65 -5.975 14.186 -10.966 1.00 0.00 C ATOM 920 CE LYS A 65 -6.621 15.266 -11.819 1.00 0.00 C ATOM 921 NZ LYS A 65 -6.043 15.309 -13.189 1.00 0.00 N ATOM 0 H LYS A 65 -3.968 11.926 -9.744 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.295 14.412 -8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.957 12.111 -9.286 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.559 12.889 -7.835 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.654 13.965 -9.648 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.446 15.103 -9.084 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.904 14.372 -10.892 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.097 13.217 -11.450 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.694 15.085 -11.883 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.489 16.236 -11.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.510 16.058 -13.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.024 15.507 -13.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.191 14.392 -13.657 1.00 0.00 H new ATOM 935 N GLU A 66 -4.344 11.669 -6.508 1.00 0.00 N ATOM 936 CA GLU A 66 -4.232 11.226 -5.112 1.00 0.00 C ATOM 937 C GLU A 66 -2.783 11.093 -4.657 1.00 0.00 C ATOM 938 O GLU A 66 -2.535 10.783 -3.497 1.00 0.00 O ATOM 939 CB GLU A 66 -4.983 9.906 -4.861 1.00 0.00 C ATOM 940 CG GLU A 66 -6.309 9.801 -5.607 1.00 0.00 C ATOM 941 CD GLU A 66 -7.049 8.510 -5.316 1.00 0.00 C ATOM 942 OE1 GLU A 66 -6.624 7.772 -4.403 1.00 0.00 O ATOM 943 OE2 GLU A 66 -8.055 8.239 -6.002 1.00 0.00 O ATOM 0 H GLU A 66 -4.420 10.916 -7.192 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.702 12.009 -4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.344 9.074 -5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.169 9.802 -3.792 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.941 10.646 -5.334 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.124 9.874 -6.679 1.00 0.00 H new ATOM 950 N VAL A 67 -1.824 11.312 -5.560 1.00 0.00 N ATOM 951 CA VAL A 67 -0.408 11.202 -5.197 1.00 0.00 C ATOM 952 C VAL A 67 -0.064 12.149 -4.037 1.00 0.00 C ATOM 953 O VAL A 67 0.762 11.825 -3.186 1.00 0.00 O ATOM 954 CB VAL A 67 0.525 11.461 -6.410 1.00 0.00 C ATOM 955 CG1 VAL A 67 0.561 12.932 -6.796 1.00 0.00 C ATOM 956 CG2 VAL A 67 1.930 10.948 -6.128 1.00 0.00 C ATOM 0 H VAL A 67 -1.997 11.563 -6.533 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.240 10.176 -4.869 1.00 0.00 H new ATOM 0 HB VAL A 67 0.115 10.911 -7.257 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.226 13.068 -7.649 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.443 13.263 -7.062 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.926 13.520 -5.954 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.567 11.140 -6.991 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.336 11.460 -5.256 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.894 9.876 -5.935 1.00 0.00 H new ATOM 966 N ASP A 68 -0.715 13.313 -4.005 1.00 0.00 N ATOM 967 CA ASP A 68 -0.502 14.290 -2.939 1.00 0.00 C ATOM 968 C ASP A 68 -1.464 14.036 -1.777 1.00 0.00 C ATOM 969 O ASP A 68 -1.400 14.699 -0.744 1.00 0.00 O ATOM 970 CB ASP A 68 -0.689 15.720 -3.459 1.00 0.00 C ATOM 971 CG ASP A 68 0.429 16.163 -4.383 1.00 0.00 C ATOM 972 OD1 ASP A 68 1.480 15.491 -4.415 1.00 0.00 O ATOM 973 OD2 ASP A 68 0.251 17.184 -5.079 1.00 0.00 O ATOM 0 H ASP A 68 -1.396 13.601 -4.708 1.00 0.00 H new ATOM 0 HA ASP A 68 0.523 14.178 -2.586 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.639 15.787 -3.989 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.747 16.404 -2.613 1.00 0.00 H new ATOM 978 N GLN A 69 -2.359 13.070 -1.968 1.00 0.00 N ATOM 979 CA GLN A 69 -3.367 12.721 -0.968 1.00 0.00 C ATOM 980 C GLN A 69 -3.051 11.388 -0.287 1.00 0.00 C ATOM 981 O GLN A 69 -3.945 10.739 0.256 1.00 0.00 O ATOM 982 CB GLN A 69 -4.755 12.652 -1.613 1.00 0.00 C ATOM 983 CG GLN A 69 -5.206 13.956 -2.259 1.00 0.00 C ATOM 984 CD GLN A 69 -5.296 15.102 -1.270 1.00 0.00 C ATOM 985 OE1 GLN A 69 -6.007 15.020 -0.270 1.00 0.00 O ATOM 986 NE2 GLN A 69 -4.577 16.181 -1.546 1.00 0.00 N ATOM 0 H GLN A 69 -2.407 12.508 -2.818 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.355 13.502 -0.208 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -4.754 11.866 -2.368 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -5.483 12.364 -0.854 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.509 14.222 -3.054 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.180 13.807 -2.725 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.000 16.208 -2.387 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.601 16.984 -0.918 1.00 0.00 H new ATOM 995 N GLY A 70 -1.785 10.984 -0.308 1.00 0.00 N ATOM 996 CA GLY A 70 -1.406 9.725 0.314 1.00 0.00 C ATOM 997 C GLY A 70 -1.123 8.604 -0.677 1.00 0.00 C ATOM 998 O GLY A 70 -1.199 7.434 -0.302 1.00 0.00 O ATOM 0 H GLY A 70 -1.019 11.500 -0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.519 9.887 0.926 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.204 9.409 0.986 1.00 0.00 H new ATOM 1002 N LYS A 71 -0.837 8.983 -1.936 1.00 0.00 N ATOM 1003 CA LYS A 71 -0.476 8.052 -3.026 1.00 0.00 C ATOM 1004 C LYS A 71 -1.689 7.621 -3.838 1.00 0.00 C ATOM 1005 O LYS A 71 -2.781 7.426 -3.314 1.00 0.00 O ATOM 1006 CB LYS A 71 0.278 6.809 -2.512 1.00 0.00 C ATOM 1007 CG LYS A 71 0.529 5.725 -3.564 1.00 0.00 C ATOM 1008 CD LYS A 71 1.397 6.221 -4.718 1.00 0.00 C ATOM 1009 CE LYS A 71 2.777 6.614 -4.248 1.00 0.00 C ATOM 1010 NZ LYS A 71 3.103 8.026 -4.593 1.00 0.00 N ATOM 0 H LYS A 71 -0.850 9.959 -2.231 1.00 0.00 H new ATOM 0 HA LYS A 71 0.195 8.610 -3.679 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.237 7.127 -2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.289 6.372 -1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.012 4.870 -3.092 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.426 5.375 -3.956 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.478 5.440 -5.474 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.917 7.076 -5.193 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.844 6.480 -3.168 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.516 5.951 -4.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.098 8.219 -4.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.949 8.179 -5.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.489 8.667 -4.050 1.00 0.00 H new ATOM 1024 N SER A 72 -1.478 7.506 -5.141 1.00 0.00 N ATOM 1025 CA SER A 72 -2.510 7.065 -6.059 1.00 0.00 C ATOM 1026 C SER A 72 -1.975 5.954 -6.950 1.00 0.00 C ATOM 1027 O SER A 72 -2.724 5.108 -7.410 1.00 0.00 O ATOM 1028 CB SER A 72 -2.981 8.221 -6.918 1.00 0.00 C ATOM 1029 OG SER A 72 -4.268 7.975 -7.463 1.00 0.00 O ATOM 0 H SER A 72 -0.586 7.716 -5.588 1.00 0.00 H new ATOM 0 HA SER A 72 -3.352 6.688 -5.478 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.006 9.132 -6.321 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.269 8.389 -7.726 1.00 0.00 H new ATOM 0 HG SER A 72 -4.509 8.702 -8.074 1.00 0.00 H new ATOM 1035 N GLY A 73 -0.668 5.968 -7.198 1.00 0.00 N ATOM 1036 CA GLY A 73 -0.071 4.946 -8.031 1.00 0.00 C ATOM 1037 C GLY A 73 -0.328 3.555 -7.496 1.00 0.00 C ATOM 1038 O GLY A 73 -1.028 2.762 -8.120 1.00 0.00 O ATOM 0 H GLY A 73 -0.017 6.666 -6.838 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.470 5.024 -9.042 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.004 5.115 -8.098 1.00 0.00 H new ATOM 1042 N THR A 74 0.207 3.268 -6.325 1.00 0.00 N ATOM 1043 CA THR A 74 0.028 1.969 -5.713 1.00 0.00 C ATOM 1044 C THR A 74 -1.243 1.906 -4.868 1.00 0.00 C ATOM 1045 O THR A 74 -1.914 0.874 -4.827 1.00 0.00 O ATOM 1046 CB THR A 74 1.239 1.604 -4.836 1.00 0.00 C ATOM 1047 OG1 THR A 74 2.144 2.712 -4.781 1.00 0.00 O ATOM 1048 CG2 THR A 74 1.955 0.378 -5.384 1.00 0.00 C ATOM 0 H THR A 74 0.770 3.920 -5.779 1.00 0.00 H new ATOM 0 HA THR A 74 -0.063 1.249 -6.527 1.00 0.00 H new ATOM 0 HB THR A 74 0.883 1.373 -3.832 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.249 3.003 -3.851 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.807 0.140 -4.748 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.267 -0.467 -5.401 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.304 0.583 -6.396 1.00 0.00 H new ATOM 1056 N ARG A 75 -1.567 3.013 -4.197 1.00 0.00 N ATOM 1057 CA ARG A 75 -2.741 3.064 -3.325 1.00 0.00 C ATOM 1058 C ARG A 75 -4.033 2.821 -4.105 1.00 0.00 C ATOM 1059 O ARG A 75 -4.862 2.010 -3.694 1.00 0.00 O ATOM 1060 CB ARG A 75 -2.827 4.414 -2.607 1.00 0.00 C ATOM 1061 CG ARG A 75 -3.935 4.460 -1.569 1.00 0.00 C ATOM 1062 CD ARG A 75 -3.984 5.789 -0.840 1.00 0.00 C ATOM 1063 NE ARG A 75 -5.050 5.821 0.160 1.00 0.00 N ATOM 1064 CZ ARG A 75 -5.313 6.877 0.921 1.00 0.00 C ATOM 1065 NH1 ARG A 75 -6.296 6.827 1.809 1.00 0.00 N ATOM 1066 NH2 ARG A 75 -4.593 7.983 0.788 1.00 0.00 N ATOM 0 H ARG A 75 -1.035 3.882 -4.240 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.626 2.269 -2.588 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.873 4.624 -2.123 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.992 5.201 -3.342 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.894 4.279 -2.055 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.787 3.657 -0.847 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.025 5.973 -0.355 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.137 6.593 -1.560 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.623 4.986 0.280 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.851 5.977 1.908 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.497 7.639 2.393 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.839 8.021 0.102 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.793 8.795 1.372 1.00 0.00 H new ATOM 1080 N GLU A 76 -4.198 3.512 -5.234 1.00 0.00 N ATOM 1081 CA GLU A 76 -5.396 3.348 -6.057 1.00 0.00 C ATOM 1082 C GLU A 76 -5.496 1.921 -6.582 1.00 0.00 C ATOM 1083 O GLU A 76 -6.579 1.340 -6.614 1.00 0.00 O ATOM 1084 CB GLU A 76 -5.410 4.362 -7.217 1.00 0.00 C ATOM 1085 CG GLU A 76 -6.634 4.262 -8.121 1.00 0.00 C ATOM 1086 CD GLU A 76 -6.454 3.280 -9.268 1.00 0.00 C ATOM 1087 OE1 GLU A 76 -5.295 3.043 -9.673 1.00 0.00 O ATOM 1088 OE2 GLU A 76 -7.472 2.749 -9.756 1.00 0.00 O ATOM 0 H GLU A 76 -3.523 4.185 -5.597 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.267 3.543 -5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.359 5.370 -6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.514 4.219 -7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.494 3.960 -7.524 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.859 5.248 -8.528 1.00 0.00 H new ATOM 1095 N LEU A 77 -4.359 1.366 -6.989 1.00 0.00 N ATOM 1096 CA LEU A 77 -4.306 0.005 -7.518 1.00 0.00 C ATOM 1097 C LEU A 77 -4.782 -1.012 -6.477 1.00 0.00 C ATOM 1098 O LEU A 77 -5.584 -1.896 -6.782 1.00 0.00 O ATOM 1099 CB LEU A 77 -2.871 -0.317 -7.947 1.00 0.00 C ATOM 1100 CG LEU A 77 -2.648 -1.715 -8.528 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -3.442 -1.899 -9.813 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -1.166 -1.951 -8.771 1.00 0.00 C ATOM 0 H LEU A 77 -3.456 1.840 -6.963 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.972 -0.059 -8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.560 0.418 -8.689 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.217 -0.194 -7.083 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.003 -2.451 -7.807 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.268 -2.900 -10.208 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.504 -1.770 -9.606 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.123 -1.159 -10.547 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.019 -2.949 -9.184 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.790 -1.208 -9.474 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.625 -1.866 -7.829 1.00 0.00 H new ATOM 1114 N LEU A 78 -4.284 -0.880 -5.249 1.00 0.00 N ATOM 1115 CA LEU A 78 -4.656 -1.791 -4.168 1.00 0.00 C ATOM 1116 C LEU A 78 -6.110 -1.578 -3.720 1.00 0.00 C ATOM 1117 O LEU A 78 -6.836 -2.535 -3.456 1.00 0.00 O ATOM 1118 CB LEU A 78 -3.695 -1.617 -2.982 1.00 0.00 C ATOM 1119 CG LEU A 78 -2.228 -1.943 -3.287 1.00 0.00 C ATOM 1120 CD1 LEU A 78 -1.359 -1.736 -2.056 1.00 0.00 C ATOM 1121 CD2 LEU A 78 -2.087 -3.368 -3.806 1.00 0.00 C ATOM 0 H LEU A 78 -3.623 -0.152 -4.978 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.579 -2.811 -4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.758 -0.587 -2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.031 -2.254 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.887 -1.259 -4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.323 -1.974 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.427 -0.697 -1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.703 -2.389 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.038 -3.577 -4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.453 -4.067 -3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.669 -3.481 -4.720 1.00 0.00 H new ATOM 1133 N TRP A 79 -6.533 -0.318 -3.671 1.00 0.00 N ATOM 1134 CA TRP A 79 -7.891 0.046 -3.244 1.00 0.00 C ATOM 1135 C TRP A 79 -8.949 -0.173 -4.329 1.00 0.00 C ATOM 1136 O TRP A 79 -10.136 0.028 -4.079 1.00 0.00 O ATOM 1137 CB TRP A 79 -7.935 1.497 -2.759 1.00 0.00 C ATOM 1138 CG TRP A 79 -7.459 1.667 -1.348 1.00 0.00 C ATOM 1139 CD1 TRP A 79 -6.216 2.057 -0.942 1.00 0.00 C ATOM 1140 CD2 TRP A 79 -8.224 1.464 -0.154 1.00 0.00 C ATOM 1141 NE1 TRP A 79 -6.160 2.104 0.431 1.00 0.00 N ATOM 1142 CE2 TRP A 79 -7.380 1.743 0.939 1.00 0.00 C ATOM 1143 CE3 TRP A 79 -9.542 1.069 0.099 1.00 0.00 C ATOM 1144 CZ2 TRP A 79 -7.811 1.643 2.259 1.00 0.00 C ATOM 1145 CZ3 TRP A 79 -9.968 0.970 1.410 1.00 0.00 C ATOM 1146 CH2 TRP A 79 -9.105 1.256 2.476 1.00 0.00 C ATOM 0 H TRP A 79 -5.951 0.480 -3.924 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.137 -0.626 -2.422 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -7.322 2.111 -3.418 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.957 1.868 -2.837 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -5.396 2.294 -1.603 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -5.342 2.365 0.982 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.215 0.845 -0.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.147 1.863 3.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -10.984 0.667 1.616 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.469 1.169 3.489 1.00 0.00 H new ATOM 1157 N SER A 80 -8.522 -0.557 -5.531 1.00 0.00 N ATOM 1158 CA SER A 80 -9.452 -0.764 -6.647 1.00 0.00 C ATOM 1159 C SER A 80 -10.526 -1.809 -6.330 1.00 0.00 C ATOM 1160 O SER A 80 -11.684 -1.637 -6.710 1.00 0.00 O ATOM 1161 CB SER A 80 -8.691 -1.186 -7.907 1.00 0.00 C ATOM 1162 OG SER A 80 -7.874 -0.137 -8.393 1.00 0.00 O ATOM 0 H SER A 80 -7.543 -0.731 -5.759 1.00 0.00 H new ATOM 0 HA SER A 80 -9.953 0.189 -6.816 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.074 -2.057 -7.687 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.400 -1.485 -8.679 1.00 0.00 H new ATOM 0 HG SER A 80 -7.194 0.085 -7.723 1.00 0.00 H new ATOM 1168 N TRP A 81 -10.150 -2.895 -5.657 1.00 0.00 N ATOM 1169 CA TRP A 81 -11.124 -3.931 -5.316 1.00 0.00 C ATOM 1170 C TRP A 81 -11.830 -3.607 -3.995 1.00 0.00 C ATOM 1171 O TRP A 81 -12.869 -2.949 -3.982 1.00 0.00 O ATOM 1172 CB TRP A 81 -10.437 -5.298 -5.236 1.00 0.00 C ATOM 1173 CG TRP A 81 -10.107 -5.875 -6.576 1.00 0.00 C ATOM 1174 CD1 TRP A 81 -8.885 -5.889 -7.185 1.00 0.00 C ATOM 1175 CD2 TRP A 81 -11.011 -6.526 -7.477 1.00 0.00 C ATOM 1176 NE1 TRP A 81 -8.973 -6.508 -8.409 1.00 0.00 N ATOM 1177 CE2 TRP A 81 -10.268 -6.907 -8.611 1.00 0.00 C ATOM 1178 CE3 TRP A 81 -12.377 -6.825 -7.435 1.00 0.00 C ATOM 1179 CZ2 TRP A 81 -10.846 -7.572 -9.691 1.00 0.00 C ATOM 1180 CZ3 TRP A 81 -12.948 -7.483 -8.508 1.00 0.00 C ATOM 1181 CH2 TRP A 81 -12.184 -7.851 -9.623 1.00 0.00 C ATOM 0 H TRP A 81 -9.198 -3.079 -5.342 1.00 0.00 H new ATOM 0 HA TRP A 81 -11.879 -3.963 -6.102 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -9.520 -5.202 -4.654 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -11.085 -5.991 -4.699 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -7.980 -5.474 -6.766 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -8.201 -6.647 -9.060 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -12.975 -6.547 -6.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -10.259 -7.857 -10.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -14.002 -7.718 -8.486 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -12.660 -8.365 -10.445 1.00 0.00 H new ATOM 1192 N ALA A 82 -11.269 -4.082 -2.884 1.00 0.00 N ATOM 1193 CA ALA A 82 -11.833 -3.810 -1.567 1.00 0.00 C ATOM 1194 C ALA A 82 -10.936 -2.829 -0.817 1.00 0.00 C ATOM 1195 O ALA A 82 -11.145 -1.618 -0.860 1.00 0.00 O ATOM 1196 CB ALA A 82 -12.008 -5.105 -0.782 1.00 0.00 C ATOM 0 H ALA A 82 -10.426 -4.656 -2.872 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.818 -3.359 -1.685 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.430 -4.882 0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.680 -5.771 -1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.039 -5.589 -0.658 1.00 0.00 H new ATOM 1202 N GLN A 83 -9.935 -3.369 -0.128 1.00 0.00 N ATOM 1203 CA GLN A 83 -8.960 -2.552 0.584 1.00 0.00 C ATOM 1204 C GLN A 83 -7.628 -2.678 -0.139 1.00 0.00 C ATOM 1205 O GLN A 83 -7.028 -1.686 -0.546 1.00 0.00 O ATOM 1206 CB GLN A 83 -8.821 -2.986 2.047 1.00 0.00 C ATOM 1207 CG GLN A 83 -10.119 -2.919 2.841 1.00 0.00 C ATOM 1208 CD GLN A 83 -10.818 -4.263 2.938 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -10.621 -5.141 2.099 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -11.642 -4.430 3.963 1.00 0.00 N ATOM 0 H GLN A 83 -9.778 -4.374 -0.048 1.00 0.00 H new ATOM 0 HA GLN A 83 -9.293 -1.514 0.594 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.441 -4.007 2.077 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.077 -2.355 2.533 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.907 -2.551 3.845 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -10.790 -2.199 2.373 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.777 -3.676 4.637 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -12.141 -5.312 4.078 1.00 0.00 H new ATOM 1219 N LYS A 84 -7.162 -3.917 -0.270 1.00 0.00 N ATOM 1220 CA LYS A 84 -5.937 -4.202 -1.006 1.00 0.00 C ATOM 1221 C LYS A 84 -6.185 -5.371 -1.963 1.00 0.00 C ATOM 1222 O LYS A 84 -5.785 -5.326 -3.128 1.00 0.00 O ATOM 1223 CB LYS A 84 -4.773 -4.509 -0.046 1.00 0.00 C ATOM 1224 CG LYS A 84 -3.609 -5.242 -0.704 1.00 0.00 C ATOM 1225 CD LYS A 84 -2.377 -5.300 0.184 1.00 0.00 C ATOM 1226 CE LYS A 84 -2.657 -6.017 1.492 1.00 0.00 C ATOM 1227 NZ LYS A 84 -3.248 -7.366 1.273 1.00 0.00 N ATOM 0 H LYS A 84 -7.616 -4.740 0.125 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.654 -3.322 -1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.408 -3.574 0.378 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.147 -5.110 0.783 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.919 -6.256 -0.955 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.354 -4.745 -1.640 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.572 -5.810 -0.345 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.031 -4.288 0.392 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.730 -6.115 2.058 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.337 -5.417 2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.253 -7.353 1.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.162 -7.624 0.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.743 -8.065 1.855 1.00 0.00 H new ATOM 1241 N ASN A 85 -6.875 -6.404 -1.450 1.00 0.00 N ATOM 1242 CA ASN A 85 -7.232 -7.612 -2.218 1.00 0.00 C ATOM 1243 C ASN A 85 -6.029 -8.171 -2.980 1.00 0.00 C ATOM 1244 O ASN A 85 -6.163 -8.692 -4.088 1.00 0.00 O ATOM 1245 CB ASN A 85 -8.381 -7.325 -3.188 1.00 0.00 C ATOM 1246 CG ASN A 85 -9.121 -8.589 -3.588 1.00 0.00 C ATOM 1247 OD1 ASN A 85 -9.360 -9.467 -2.761 1.00 0.00 O ATOM 1248 ND2 ASN A 85 -9.482 -8.692 -4.861 1.00 0.00 N ATOM 0 H ASN A 85 -7.203 -6.426 -0.485 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.558 -8.365 -1.500 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.080 -6.628 -2.725 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.988 -6.838 -4.080 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.977 -9.523 -5.185 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.264 -7.940 -5.515 1.00 0.00 H new ATOM 1255 N LYS A 86 -4.862 -8.067 -2.370 1.00 0.00 N ATOM 1256 CA LYS A 86 -3.628 -8.537 -2.977 1.00 0.00 C ATOM 1257 C LYS A 86 -2.768 -9.216 -1.928 1.00 0.00 C ATOM 1258 O LYS A 86 -3.078 -9.162 -0.741 1.00 0.00 O ATOM 1259 CB LYS A 86 -2.860 -7.362 -3.598 1.00 0.00 C ATOM 1260 CG LYS A 86 -2.771 -7.407 -5.117 1.00 0.00 C ATOM 1261 CD LYS A 86 -4.059 -6.941 -5.772 1.00 0.00 C ATOM 1262 CE LYS A 86 -4.303 -7.655 -7.092 1.00 0.00 C ATOM 1263 NZ LYS A 86 -3.142 -7.532 -8.016 1.00 0.00 N ATOM 0 H LYS A 86 -4.742 -7.656 -1.444 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.871 -9.252 -3.763 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.342 -6.430 -3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.851 -7.344 -3.187 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.945 -6.779 -5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.548 -8.424 -5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.897 -7.122 -5.099 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.013 -5.865 -5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.505 -8.709 -6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.191 -7.241 -7.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.415 -7.866 -8.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.847 -6.536 -8.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.352 -8.108 -7.660 1.00 0.00 H new ATOM 1277 N THR A 87 -1.694 -9.854 -2.354 1.00 0.00 N ATOM 1278 CA THR A 87 -0.803 -10.511 -1.418 1.00 0.00 C ATOM 1279 C THR A 87 0.614 -9.983 -1.582 1.00 0.00 C ATOM 1280 O THR A 87 0.969 -9.439 -2.631 1.00 0.00 O ATOM 1281 CB THR A 87 -0.803 -12.044 -1.590 1.00 0.00 C ATOM 1282 OG1 THR A 87 -0.320 -12.398 -2.892 1.00 0.00 O ATOM 1283 CG2 THR A 87 -2.201 -12.616 -1.393 1.00 0.00 C ATOM 0 H THR A 87 -1.419 -9.931 -3.333 1.00 0.00 H new ATOM 0 HA THR A 87 -1.170 -10.287 -0.416 1.00 0.00 H new ATOM 0 HB THR A 87 -0.143 -12.466 -0.832 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.323 -13.373 -2.988 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.173 -13.698 -1.520 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.554 -12.377 -0.390 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.879 -12.182 -2.128 1.00 0.00 H new ATOM 1291 N ILE A 88 1.419 -10.148 -0.537 1.00 0.00 N ATOM 1292 CA ILE A 88 2.803 -9.684 -0.538 1.00 0.00 C ATOM 1293 C ILE A 88 3.608 -10.342 -1.660 1.00 0.00 C ATOM 1294 O ILE A 88 4.394 -9.678 -2.334 1.00 0.00 O ATOM 1295 CB ILE A 88 3.459 -9.916 0.852 1.00 0.00 C ATOM 1296 CG1 ILE A 88 3.074 -8.780 1.817 1.00 0.00 C ATOM 1297 CG2 ILE A 88 4.972 -10.040 0.748 1.00 0.00 C ATOM 1298 CD1 ILE A 88 1.612 -8.756 2.206 1.00 0.00 C ATOM 0 H ILE A 88 1.133 -10.604 0.329 1.00 0.00 H new ATOM 0 HA ILE A 88 2.803 -8.611 -0.731 1.00 0.00 H new ATOM 0 HB ILE A 88 3.082 -10.860 1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.676 -8.869 2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.330 -7.826 1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.393 -10.201 1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.225 -10.883 0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.384 -9.124 0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.430 -7.925 2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.000 -8.634 1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.351 -9.692 2.699 1.00 0.00 H new ATOM 1310 N GLY A 89 3.393 -11.639 -1.869 1.00 0.00 N ATOM 1311 CA GLY A 89 4.096 -12.351 -2.927 1.00 0.00 C ATOM 1312 C GLY A 89 3.780 -11.808 -4.316 1.00 0.00 C ATOM 1313 O GLY A 89 4.666 -11.717 -5.168 1.00 0.00 O ATOM 0 H GLY A 89 2.746 -12.210 -1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.170 -12.285 -2.752 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.831 -13.407 -2.886 1.00 0.00 H new ATOM 1317 N ASP A 90 2.511 -11.462 -4.543 1.00 0.00 N ATOM 1318 CA ASP A 90 2.068 -10.930 -5.835 1.00 0.00 C ATOM 1319 C ASP A 90 2.735 -9.592 -6.166 1.00 0.00 C ATOM 1320 O ASP A 90 3.208 -9.386 -7.284 1.00 0.00 O ATOM 1321 CB ASP A 90 0.546 -10.763 -5.846 1.00 0.00 C ATOM 1322 CG ASP A 90 0.018 -10.320 -7.197 1.00 0.00 C ATOM 1323 OD1 ASP A 90 0.167 -11.085 -8.172 1.00 0.00 O ATOM 1324 OD2 ASP A 90 -0.555 -9.211 -7.275 1.00 0.00 O ATOM 0 H ASP A 90 1.770 -11.541 -3.847 1.00 0.00 H new ATOM 0 HA ASP A 90 2.365 -11.649 -6.598 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.078 -11.708 -5.569 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.259 -10.032 -5.090 1.00 0.00 H new ATOM 1329 N LEU A 91 2.772 -8.689 -5.188 1.00 0.00 N ATOM 1330 CA LEU A 91 3.377 -7.369 -5.386 1.00 0.00 C ATOM 1331 C LEU A 91 4.902 -7.445 -5.367 1.00 0.00 C ATOM 1332 O LEU A 91 5.574 -6.604 -5.955 1.00 0.00 O ATOM 1333 CB LEU A 91 2.896 -6.377 -4.319 1.00 0.00 C ATOM 1334 CG LEU A 91 1.970 -5.253 -4.813 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.498 -4.637 -6.102 1.00 0.00 C ATOM 1336 CD2 LEU A 91 0.558 -5.779 -5.018 1.00 0.00 C ATOM 0 H LEU A 91 2.393 -8.844 -4.254 1.00 0.00 H new ATOM 0 HA LEU A 91 3.060 -7.015 -6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.375 -6.935 -3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.770 -5.922 -3.853 1.00 0.00 H new ATOM 0 HG LEU A 91 1.947 -4.475 -4.050 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.824 -3.845 -6.429 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.490 -4.220 -5.927 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.558 -5.404 -6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.084 -4.971 -5.368 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.571 -6.578 -5.759 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.173 -6.166 -4.074 1.00 0.00 H new ATOM 1348 N LEU A 92 5.437 -8.466 -4.702 1.00 0.00 N ATOM 1349 CA LEU A 92 6.885 -8.651 -4.591 1.00 0.00 C ATOM 1350 C LEU A 92 7.531 -8.782 -5.967 1.00 0.00 C ATOM 1351 O LEU A 92 8.597 -8.220 -6.213 1.00 0.00 O ATOM 1352 CB LEU A 92 7.196 -9.895 -3.749 1.00 0.00 C ATOM 1353 CG LEU A 92 8.684 -10.207 -3.554 1.00 0.00 C ATOM 1354 CD1 LEU A 92 9.384 -9.070 -2.825 1.00 0.00 C ATOM 1355 CD2 LEU A 92 8.856 -11.513 -2.796 1.00 0.00 C ATOM 0 H LEU A 92 4.887 -9.183 -4.229 1.00 0.00 H new ATOM 0 HA LEU A 92 7.300 -7.770 -4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.737 -9.772 -2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.721 -10.757 -4.217 1.00 0.00 H new ATOM 0 HG LEU A 92 9.143 -10.313 -4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.439 -9.314 -2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.291 -8.153 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.924 -8.927 -1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.918 -11.721 -2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.379 -11.432 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.394 -12.324 -3.359 1.00 0.00 H new ATOM 1367 N GLN A 93 6.879 -9.519 -6.858 1.00 0.00 N ATOM 1368 CA GLN A 93 7.392 -9.723 -8.210 1.00 0.00 C ATOM 1369 C GLN A 93 7.491 -8.395 -8.964 1.00 0.00 C ATOM 1370 O GLN A 93 8.475 -8.134 -9.657 1.00 0.00 O ATOM 1371 CB GLN A 93 6.471 -10.685 -8.960 1.00 0.00 C ATOM 1372 CG GLN A 93 6.516 -12.107 -8.423 1.00 0.00 C ATOM 1373 CD GLN A 93 5.441 -12.990 -9.025 1.00 0.00 C ATOM 1374 OE1 GLN A 93 5.594 -13.511 -10.128 1.00 0.00 O ATOM 1375 NE2 GLN A 93 4.342 -13.154 -8.303 1.00 0.00 N ATOM 0 H GLN A 93 5.992 -9.987 -6.670 1.00 0.00 H new ATOM 0 HA GLN A 93 8.393 -10.149 -8.145 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.447 -10.315 -8.902 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.748 -10.694 -10.014 1.00 0.00 H new ATOM 0 HG2 GLN A 93 7.495 -12.539 -8.631 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.400 -12.086 -7.339 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.258 -12.702 -7.392 1.00 0.00 H new ATOM 0 HE22 GLN A 93 3.580 -13.732 -8.658 1.00 0.00 H new ATOM 1384 N VAL A 94 6.461 -7.561 -8.822 1.00 0.00 N ATOM 1385 CA VAL A 94 6.432 -6.252 -9.473 1.00 0.00 C ATOM 1386 C VAL A 94 7.446 -5.302 -8.825 1.00 0.00 C ATOM 1387 O VAL A 94 8.182 -4.583 -9.511 1.00 0.00 O ATOM 1388 CB VAL A 94 5.019 -5.629 -9.400 1.00 0.00 C ATOM 1389 CG1 VAL A 94 5.016 -4.213 -9.954 1.00 0.00 C ATOM 1390 CG2 VAL A 94 4.012 -6.498 -10.139 1.00 0.00 C ATOM 0 H VAL A 94 5.635 -7.769 -8.261 1.00 0.00 H new ATOM 0 HA VAL A 94 6.698 -6.398 -10.520 1.00 0.00 H new ATOM 0 HB VAL A 94 4.727 -5.579 -8.351 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.010 -3.799 -9.890 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.700 -3.594 -9.374 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.336 -4.229 -10.996 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.024 -6.043 -10.076 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.305 -6.586 -11.185 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.985 -7.489 -9.686 1.00 0.00 H new ATOM 1400 N LEU A 95 7.480 -5.323 -7.492 1.00 0.00 N ATOM 1401 CA LEU A 95 8.389 -4.480 -6.716 1.00 0.00 C ATOM 1402 C LEU A 95 9.844 -4.806 -7.028 1.00 0.00 C ATOM 1403 O LEU A 95 10.684 -3.907 -7.112 1.00 0.00 O ATOM 1404 CB LEU A 95 8.131 -4.667 -5.216 1.00 0.00 C ATOM 1405 CG LEU A 95 7.219 -3.628 -4.553 1.00 0.00 C ATOM 1406 CD1 LEU A 95 5.836 -3.632 -5.181 1.00 0.00 C ATOM 1407 CD2 LEU A 95 7.123 -3.896 -3.058 1.00 0.00 C ATOM 0 H LEU A 95 6.882 -5.922 -6.923 1.00 0.00 H new ATOM 0 HA LEU A 95 8.201 -3.442 -6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.694 -5.654 -5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.091 -4.660 -4.699 1.00 0.00 H new ATOM 0 HG LEU A 95 7.655 -2.642 -4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.212 -2.885 -4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.918 -3.396 -6.242 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.385 -4.617 -5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.473 -3.153 -2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.711 -4.891 -2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.116 -3.836 -2.613 1.00 0.00 H new ATOM 1419 N GLN A 96 10.131 -6.096 -7.207 1.00 0.00 N ATOM 1420 CA GLN A 96 11.482 -6.556 -7.508 1.00 0.00 C ATOM 1421 C GLN A 96 11.986 -5.939 -8.807 1.00 0.00 C ATOM 1422 O GLN A 96 13.156 -5.569 -8.912 1.00 0.00 O ATOM 1423 CB GLN A 96 11.510 -8.086 -7.604 1.00 0.00 C ATOM 1424 CG GLN A 96 12.903 -8.671 -7.787 1.00 0.00 C ATOM 1425 CD GLN A 96 12.902 -10.188 -7.806 1.00 0.00 C ATOM 1426 OE1 GLN A 96 11.867 -10.823 -7.611 1.00 0.00 O ATOM 1427 NE2 GLN A 96 14.067 -10.776 -8.037 1.00 0.00 N ATOM 0 H GLN A 96 9.439 -6.843 -7.148 1.00 0.00 H new ATOM 0 HA GLN A 96 12.141 -6.239 -6.699 1.00 0.00 H new ATOM 0 HB2 GLN A 96 11.068 -8.504 -6.700 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.884 -8.399 -8.439 1.00 0.00 H new ATOM 0 HG2 GLN A 96 13.329 -8.300 -8.719 1.00 0.00 H new ATOM 0 HG3 GLN A 96 13.548 -8.322 -6.981 1.00 0.00 H new ATOM 0 HE21 GLN A 96 14.901 -10.211 -8.194 1.00 0.00 H new ATOM 0 HE22 GLN A 96 14.129 -11.794 -8.058 1.00 0.00 H new ATOM 1436 N GLU A 97 11.100 -5.843 -9.797 1.00 0.00 N ATOM 1437 CA GLU A 97 11.457 -5.257 -11.082 1.00 0.00 C ATOM 1438 C GLU A 97 11.846 -3.787 -10.909 1.00 0.00 C ATOM 1439 O GLU A 97 12.830 -3.326 -11.489 1.00 0.00 O ATOM 1440 CB GLU A 97 10.287 -5.381 -12.072 1.00 0.00 C ATOM 1441 CG GLU A 97 10.592 -4.842 -13.462 1.00 0.00 C ATOM 1442 CD GLU A 97 11.669 -5.630 -14.186 1.00 0.00 C ATOM 1443 OE1 GLU A 97 11.926 -6.790 -13.796 1.00 0.00 O ATOM 1444 OE2 GLU A 97 12.250 -5.090 -15.151 1.00 0.00 O ATOM 0 H GLU A 97 10.134 -6.163 -9.732 1.00 0.00 H new ATOM 0 HA GLU A 97 12.313 -5.801 -11.482 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.004 -6.430 -12.155 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.425 -4.849 -11.668 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.679 -4.854 -14.058 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.905 -3.801 -13.380 1.00 0.00 H new ATOM 1451 N MET A 98 11.056 -3.054 -10.123 1.00 0.00 N ATOM 1452 CA MET A 98 11.329 -1.639 -9.870 1.00 0.00 C ATOM 1453 C MET A 98 12.574 -1.428 -9.000 1.00 0.00 C ATOM 1454 O MET A 98 13.340 -0.494 -9.234 1.00 0.00 O ATOM 1455 CB MET A 98 10.119 -0.944 -9.242 1.00 0.00 C ATOM 1456 CG MET A 98 8.942 -0.790 -10.197 1.00 0.00 C ATOM 1457 SD MET A 98 9.410 -0.018 -11.761 1.00 0.00 S ATOM 1458 CE MET A 98 10.013 1.573 -11.207 1.00 0.00 C ATOM 0 H MET A 98 10.226 -3.415 -9.653 1.00 0.00 H new ATOM 0 HA MET A 98 11.529 -1.186 -10.841 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.796 -1.512 -8.369 1.00 0.00 H new ATOM 0 HB3 MET A 98 10.420 0.042 -8.887 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.510 -1.771 -10.396 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.167 -0.191 -9.718 1.00 0.00 H new ATOM 0 HE1 MET A 98 10.320 2.166 -12.069 1.00 0.00 H new ATOM 0 HE2 MET A 98 9.221 2.096 -10.671 1.00 0.00 H new ATOM 0 HE3 MET A 98 10.866 1.428 -10.544 1.00 0.00 H new ATOM 1468 N GLY A 99 12.774 -2.284 -7.996 1.00 0.00 N ATOM 1469 CA GLY A 99 13.943 -2.133 -7.137 1.00 0.00 C ATOM 1470 C GLY A 99 13.615 -1.543 -5.772 1.00 0.00 C ATOM 1471 O GLY A 99 14.329 -0.666 -5.288 1.00 0.00 O ATOM 0 H GLY A 99 12.161 -3.065 -7.764 1.00 0.00 H new ATOM 0 HA2 GLY A 99 14.413 -3.107 -7.001 1.00 0.00 H new ATOM 0 HA3 GLY A 99 14.672 -1.494 -7.636 1.00 0.00 H new ATOM 1475 N HIS A 100 12.521 -2.008 -5.171 1.00 0.00 N ATOM 1476 CA HIS A 100 12.077 -1.520 -3.857 1.00 0.00 C ATOM 1477 C HIS A 100 13.160 -1.682 -2.776 1.00 0.00 C ATOM 1478 O HIS A 100 13.521 -2.791 -2.401 1.00 0.00 O ATOM 1479 CB HIS A 100 10.791 -2.261 -3.442 1.00 0.00 C ATOM 1480 CG HIS A 100 10.950 -3.753 -3.280 1.00 0.00 C ATOM 1481 ND1 HIS A 100 11.285 -4.605 -4.306 1.00 0.00 N ATOM 1482 CD2 HIS A 100 10.792 -4.542 -2.183 1.00 0.00 C ATOM 1483 CE1 HIS A 100 11.318 -5.852 -3.817 1.00 0.00 C ATOM 1484 NE2 HIS A 100 11.028 -5.867 -2.535 1.00 0.00 N ATOM 0 H HIS A 100 11.919 -2.727 -5.573 1.00 0.00 H new ATOM 0 HA HIS A 100 11.878 -0.452 -3.948 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.434 -1.843 -2.501 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.020 -2.070 -4.189 1.00 0.00 H new ATOM 0 HD2 HIS A 100 10.526 -4.195 -1.196 1.00 0.00 H new ATOM 0 HE1 HIS A 100 11.552 -6.730 -4.400 1.00 0.00 H new ATOM 0 HE2 HIS A 100 10.985 -6.683 -1.924 1.00 0.00 H new ATOM 1491 N ARG A 101 13.702 -0.564 -2.299 1.00 0.00 N ATOM 1492 CA ARG A 101 14.733 -0.599 -1.258 1.00 0.00 C ATOM 1493 C ARG A 101 14.141 -0.665 0.152 1.00 0.00 C ATOM 1494 O ARG A 101 14.326 -1.651 0.867 1.00 0.00 O ATOM 1495 CB ARG A 101 15.654 0.617 -1.386 1.00 0.00 C ATOM 1496 CG ARG A 101 16.574 0.558 -2.596 1.00 0.00 C ATOM 1497 CD ARG A 101 17.314 1.871 -2.799 1.00 0.00 C ATOM 1498 NE ARG A 101 18.276 1.796 -3.897 1.00 0.00 N ATOM 1499 CZ ARG A 101 17.949 1.924 -5.182 1.00 0.00 C ATOM 1500 NH1 ARG A 101 18.889 1.848 -6.117 1.00 0.00 N ATOM 1501 NH2 ARG A 101 16.683 2.121 -5.534 1.00 0.00 N ATOM 0 H ARG A 101 13.448 0.373 -2.612 1.00 0.00 H new ATOM 0 HA ARG A 101 15.309 -1.512 -1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 101 15.045 1.519 -1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.259 0.701 -0.483 1.00 0.00 H new ATOM 0 HG2 ARG A 101 17.294 -0.250 -2.468 1.00 0.00 H new ATOM 0 HG3 ARG A 101 15.990 0.327 -3.487 1.00 0.00 H new ATOM 0 HD2 ARG A 101 16.595 2.664 -3.001 1.00 0.00 H new ATOM 0 HD3 ARG A 101 17.834 2.139 -1.880 1.00 0.00 H new ATOM 0 HE ARG A 101 19.256 1.636 -3.665 1.00 0.00 H new ATOM 0 HH11 ARG A 101 19.861 1.692 -5.851 1.00 0.00 H new ATOM 0 HH12 ARG A 101 18.639 1.946 -7.101 1.00 0.00 H new ATOM 0 HH21 ARG A 101 15.957 2.175 -4.819 1.00 0.00 H new ATOM 0 HH22 ARG A 101 16.437 2.219 -6.519 1.00 0.00 H new ATOM 1515 N ARG A 102 13.426 0.391 0.541 1.00 0.00 N ATOM 1516 CA ARG A 102 12.819 0.474 1.873 1.00 0.00 C ATOM 1517 C ARG A 102 11.724 -0.572 2.070 1.00 0.00 C ATOM 1518 O ARG A 102 11.554 -1.106 3.165 1.00 0.00 O ATOM 1519 CB ARG A 102 12.250 1.870 2.140 1.00 0.00 C ATOM 1520 CG ARG A 102 11.721 2.043 3.558 1.00 0.00 C ATOM 1521 CD ARG A 102 12.844 1.988 4.584 1.00 0.00 C ATOM 1522 NE ARG A 102 12.358 2.207 5.942 1.00 0.00 N ATOM 1523 CZ ARG A 102 13.100 2.024 7.032 1.00 0.00 C ATOM 1524 NH1 ARG A 102 12.582 2.237 8.233 1.00 0.00 N ATOM 1525 NH2 ARG A 102 14.361 1.624 6.918 1.00 0.00 N ATOM 0 H ARG A 102 13.252 1.205 -0.049 1.00 0.00 H new ATOM 0 HA ARG A 102 13.617 0.273 2.588 1.00 0.00 H new ATOM 0 HB2 ARG A 102 13.026 2.613 1.956 1.00 0.00 H new ATOM 0 HB3 ARG A 102 11.445 2.068 1.432 1.00 0.00 H new ATOM 0 HG2 ARG A 102 11.200 2.997 3.639 1.00 0.00 H new ATOM 0 HG3 ARG A 102 10.992 1.262 3.773 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.338 1.018 4.528 1.00 0.00 H new ATOM 0 HD3 ARG A 102 13.593 2.742 4.342 1.00 0.00 H new ATOM 0 HE ARG A 102 11.394 2.518 6.063 1.00 0.00 H new ATOM 0 HH11 ARG A 102 11.613 2.542 8.324 1.00 0.00 H new ATOM 0 HH12 ARG A 102 13.152 2.096 9.067 1.00 0.00 H new ATOM 0 HH21 ARG A 102 14.762 1.457 5.995 1.00 0.00 H new ATOM 0 HH22 ARG A 102 14.929 1.484 7.753 1.00 0.00 H new ATOM 1539 N ALA A 103 10.977 -0.853 1.006 1.00 0.00 N ATOM 1540 CA ALA A 103 9.882 -1.817 1.067 1.00 0.00 C ATOM 1541 C ALA A 103 10.370 -3.194 1.521 1.00 0.00 C ATOM 1542 O ALA A 103 9.628 -3.921 2.175 1.00 0.00 O ATOM 1543 CB ALA A 103 9.165 -1.904 -0.270 1.00 0.00 C ATOM 0 H ALA A 103 11.110 -0.426 0.089 1.00 0.00 H new ATOM 0 HA ALA A 103 9.170 -1.463 1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.353 -2.628 -0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.758 -0.926 -0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.869 -2.220 -1.040 1.00 0.00 H new ATOM 1549 N ILE A 104 11.612 -3.551 1.174 1.00 0.00 N ATOM 1550 CA ILE A 104 12.186 -4.837 1.590 1.00 0.00 C ATOM 1551 C ILE A 104 12.224 -4.920 3.117 1.00 0.00 C ATOM 1552 O ILE A 104 11.937 -5.963 3.707 1.00 0.00 O ATOM 1553 CB ILE A 104 13.625 -5.048 1.043 1.00 0.00 C ATOM 1554 CG1 ILE A 104 13.609 -5.244 -0.473 1.00 0.00 C ATOM 1555 CG2 ILE A 104 14.296 -6.241 1.715 1.00 0.00 C ATOM 1556 CD1 ILE A 104 14.988 -5.221 -1.099 1.00 0.00 C ATOM 0 H ILE A 104 12.235 -2.973 0.610 1.00 0.00 H new ATOM 0 HA ILE A 104 11.548 -5.618 1.177 1.00 0.00 H new ATOM 0 HB ILE A 104 14.200 -4.151 1.273 1.00 0.00 H new ATOM 0 HG12 ILE A 104 13.130 -6.195 -0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 104 13.000 -4.462 -0.926 1.00 0.00 H new ATOM 0 HG21 ILE A 104 15.302 -6.366 1.314 1.00 0.00 H new ATOM 0 HG22 ILE A 104 14.353 -6.069 2.790 1.00 0.00 H new ATOM 0 HG23 ILE A 104 13.714 -7.142 1.522 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.901 -5.366 -2.176 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.462 -4.260 -0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 104 15.594 -6.020 -0.673 1.00 0.00 H new ATOM 1568 N HIS A 105 12.579 -3.804 3.741 1.00 0.00 N ATOM 1569 CA HIS A 105 12.676 -3.720 5.198 1.00 0.00 C ATOM 1570 C HIS A 105 11.335 -4.041 5.872 1.00 0.00 C ATOM 1571 O HIS A 105 11.280 -4.850 6.799 1.00 0.00 O ATOM 1572 CB HIS A 105 13.128 -2.306 5.587 1.00 0.00 C ATOM 1573 CG HIS A 105 13.479 -2.138 7.035 1.00 0.00 C ATOM 1574 ND1 HIS A 105 12.550 -1.976 8.041 1.00 0.00 N ATOM 1575 CD2 HIS A 105 14.692 -2.082 7.634 1.00 0.00 C ATOM 1576 CE1 HIS A 105 13.218 -1.832 9.195 1.00 0.00 C ATOM 1577 NE2 HIS A 105 14.521 -1.891 9.000 1.00 0.00 N ATOM 0 H HIS A 105 12.807 -2.935 3.258 1.00 0.00 H new ATOM 0 HA HIS A 105 13.403 -4.457 5.540 1.00 0.00 H new ATOM 0 HB2 HIS A 105 13.995 -2.037 4.983 1.00 0.00 H new ATOM 0 HB3 HIS A 105 12.334 -1.603 5.335 1.00 0.00 H new ATOM 0 HD2 HIS A 105 15.643 -2.172 7.130 1.00 0.00 H new ATOM 0 HE1 HIS A 105 12.750 -1.687 10.158 1.00 0.00 H new ATOM 0 HE2 HIS A 105 15.253 -1.813 9.706 1.00 0.00 H new ATOM 1584 N LEU A 106 10.256 -3.424 5.395 1.00 0.00 N ATOM 1585 CA LEU A 106 8.932 -3.634 5.986 1.00 0.00 C ATOM 1586 C LEU A 106 8.204 -4.871 5.451 1.00 0.00 C ATOM 1587 O LEU A 106 7.349 -5.426 6.140 1.00 0.00 O ATOM 1588 CB LEU A 106 8.060 -2.393 5.796 1.00 0.00 C ATOM 1589 CG LEU A 106 7.432 -1.833 7.078 1.00 0.00 C ATOM 1590 CD1 LEU A 106 6.322 -2.743 7.582 1.00 0.00 C ATOM 1591 CD2 LEU A 106 8.489 -1.633 8.154 1.00 0.00 C ATOM 0 H LEU A 106 10.269 -2.778 4.606 1.00 0.00 H new ATOM 0 HA LEU A 106 9.104 -3.813 7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.664 -1.611 5.335 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.261 -2.634 5.095 1.00 0.00 H new ATOM 0 HG LEU A 106 6.995 -0.863 6.842 1.00 0.00 H new ATOM 0 HD11 LEU A 106 5.893 -2.324 8.492 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.547 -2.827 6.821 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.730 -3.731 7.795 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.021 -1.235 9.054 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.961 -2.589 8.382 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.243 -0.932 7.797 1.00 0.00 H new ATOM 1603 N ILE A 107 8.527 -5.307 4.233 1.00 0.00 N ATOM 1604 CA ILE A 107 7.864 -6.479 3.646 1.00 0.00 C ATOM 1605 C ILE A 107 8.113 -7.739 4.485 1.00 0.00 C ATOM 1606 O ILE A 107 7.354 -8.708 4.407 1.00 0.00 O ATOM 1607 CB ILE A 107 8.288 -6.708 2.169 1.00 0.00 C ATOM 1608 CG1 ILE A 107 7.258 -7.570 1.444 1.00 0.00 C ATOM 1609 CG2 ILE A 107 9.667 -7.351 2.081 1.00 0.00 C ATOM 1610 CD1 ILE A 107 7.394 -7.528 -0.064 1.00 0.00 C ATOM 0 H ILE A 107 9.234 -4.875 3.638 1.00 0.00 H new ATOM 0 HA ILE A 107 6.794 -6.273 3.651 1.00 0.00 H new ATOM 0 HB ILE A 107 8.338 -5.733 1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 107 7.356 -8.602 1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 107 6.257 -7.238 1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.934 -7.498 1.034 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.402 -6.701 2.555 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.652 -8.315 2.590 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.631 -8.162 -0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.267 -6.503 -0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.382 -7.888 -0.350 1.00 0.00 H new ATOM 1622 N THR A 108 9.169 -7.708 5.300 1.00 0.00 N ATOM 1623 CA THR A 108 9.516 -8.833 6.165 1.00 0.00 C ATOM 1624 C THR A 108 8.525 -8.973 7.323 1.00 0.00 C ATOM 1625 O THR A 108 8.548 -9.967 8.049 1.00 0.00 O ATOM 1626 CB THR A 108 10.939 -8.688 6.741 1.00 0.00 C ATOM 1627 OG1 THR A 108 11.029 -7.503 7.547 1.00 0.00 O ATOM 1628 CG2 THR A 108 11.976 -8.631 5.628 1.00 0.00 C ATOM 0 H THR A 108 9.801 -6.911 5.378 1.00 0.00 H new ATOM 0 HA THR A 108 9.472 -9.727 5.543 1.00 0.00 H new ATOM 0 HB THR A 108 11.143 -9.562 7.359 1.00 0.00 H new ATOM 0 HG1 THR A 108 11.112 -6.718 6.966 1.00 0.00 H new ATOM 0 HG21 THR A 108 12.971 -8.529 6.062 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.929 -9.548 5.040 1.00 0.00 H new ATOM 0 HG23 THR A 108 11.772 -7.776 4.984 1.00 0.00 H new ATOM 1636 N ASN A 109 7.659 -7.970 7.494 1.00 0.00 N ATOM 1637 CA ASN A 109 6.660 -7.985 8.561 1.00 0.00 C ATOM 1638 C ASN A 109 5.594 -9.055 8.302 1.00 0.00 C ATOM 1639 O ASN A 109 4.995 -9.589 9.236 1.00 0.00 O ATOM 1640 CB ASN A 109 6.009 -6.604 8.694 1.00 0.00 C ATOM 1641 CG ASN A 109 4.973 -6.535 9.797 1.00 0.00 C ATOM 1642 OD1 ASN A 109 3.772 -6.569 9.537 1.00 0.00 O ATOM 1643 ND2 ASN A 109 5.430 -6.435 11.040 1.00 0.00 N ATOM 0 H ASN A 109 7.631 -7.137 6.905 1.00 0.00 H new ATOM 0 HA ASN A 109 7.163 -8.230 9.496 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.784 -5.861 8.885 1.00 0.00 H new ATOM 0 HB3 ASN A 109 5.540 -6.338 7.747 1.00 0.00 H new ATOM 0 HD21 ASN A 109 4.776 -6.383 11.821 1.00 0.00 H new ATOM 0 HD22 ASN A 109 6.435 -6.410 11.213 1.00 0.00 H new ATOM 1650 N TYR A 110 5.368 -9.371 7.029 1.00 0.00 N ATOM 1651 CA TYR A 110 4.386 -10.388 6.665 1.00 0.00 C ATOM 1652 C TYR A 110 5.027 -11.775 6.707 1.00 0.00 C ATOM 1653 O TYR A 110 5.861 -12.111 5.867 1.00 0.00 O ATOM 1654 CB TYR A 110 3.826 -10.107 5.264 1.00 0.00 C ATOM 1655 CG TYR A 110 2.806 -11.123 4.785 1.00 0.00 C ATOM 1656 CD1 TYR A 110 1.462 -11.021 5.136 1.00 0.00 C ATOM 1657 CD2 TYR A 110 3.192 -12.192 3.983 1.00 0.00 C ATOM 1658 CE1 TYR A 110 0.542 -11.953 4.700 1.00 0.00 C ATOM 1659 CE2 TYR A 110 2.272 -13.125 3.544 1.00 0.00 C ATOM 1660 CZ TYR A 110 0.950 -13.002 3.905 1.00 0.00 C ATOM 1661 OH TYR A 110 0.032 -13.928 3.474 1.00 0.00 O ATOM 0 H TYR A 110 5.848 -8.941 6.238 1.00 0.00 H new ATOM 0 HA TYR A 110 3.566 -10.357 7.382 1.00 0.00 H new ATOM 0 HB2 TYR A 110 3.367 -9.119 5.260 1.00 0.00 H new ATOM 0 HB3 TYR A 110 4.653 -10.077 4.554 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.135 -10.201 5.758 1.00 0.00 H new ATOM 0 HD2 TYR A 110 4.229 -12.295 3.698 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.496 -11.860 4.982 1.00 0.00 H new ATOM 0 HE2 TYR A 110 2.589 -13.947 2.920 1.00 0.00 H new ATOM 0 HH TYR A 110 0.481 -14.602 2.922 1.00 0.00 H new