USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 582 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 15 ASN : amide:sc= -1.11 X(o=-2.8,f=-3.2!) USER MOD Set 1.2: A 37 HIS : no HE2:sc= -1.69 K(o=-2.8,f=-7.4!) USER MOD Single : A 17 HIS : no HD1:sc= -0.313 K(o=-0.31,f=-1.1) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -169:sc= -0.0137 (180deg=-0.129) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.374 USER MOD Single : A 41 SER OG : rot 180:sc= -0.857 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -176:sc= 0 (180deg=-0.0344) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.129 USER MOD Single : A 48 CYS SG : rot 180:sc= -0.386 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 54 SER OG : rot 54:sc= 0.0144 USER MOD Single : A 55 MET CE :methyl 175:sc= 0 (180deg=-0.0417) USER MOD Single : A 57 GLN : amide:sc= -2.02 K(o=-2,f=-4.6!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN :FLIP amide:sc= -0.102 F(o=-0.64,f=-0.1) USER MOD Single : A 78 MET CE :methyl 153:sc= -3.29 (180deg=-5.06!) USER MOD Single : A 83 THR OG1 : rot 170:sc= -0.515 USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 15 4.016 17.723 -5.507 1.00 0.00 N ATOM 217 CA ASN A 15 2.632 17.447 -5.141 1.00 0.00 C ATOM 218 C ASN A 15 2.508 17.174 -3.645 1.00 0.00 C ATOM 219 O ASN A 15 2.043 18.023 -2.885 1.00 0.00 O ATOM 220 CB ASN A 15 2.101 16.251 -5.934 1.00 0.00 C ATOM 221 CG ASN A 15 1.082 16.658 -6.981 1.00 0.00 C ATOM 222 OD1 ASN A 15 0.382 17.659 -6.826 1.00 0.00 O ATOM 223 ND2 ASN A 15 0.995 15.882 -8.055 1.00 0.00 N ATOM 0 HA ASN A 15 2.037 18.328 -5.382 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.934 15.742 -6.420 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.647 15.536 -5.248 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.328 16.106 -8.793 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.595 15.062 -8.142 1.00 0.00 H new ATOM 230 N ASP A 16 2.928 15.984 -3.230 1.00 0.00 N ATOM 231 CA ASP A 16 2.867 15.599 -1.825 1.00 0.00 C ATOM 232 C ASP A 16 3.719 14.361 -1.563 1.00 0.00 C ATOM 233 O ASP A 16 4.141 13.676 -2.495 1.00 0.00 O ATOM 234 CB ASP A 16 1.419 15.333 -1.409 1.00 0.00 C ATOM 235 CG ASP A 16 0.750 16.562 -0.826 1.00 0.00 C ATOM 236 OD1 ASP A 16 1.101 16.946 0.309 1.00 0.00 O ATOM 237 OD2 ASP A 16 -0.126 17.139 -1.504 1.00 0.00 O ATOM 0 H ASP A 16 3.314 15.269 -3.847 1.00 0.00 H new ATOM 0 HA ASP A 16 3.262 16.423 -1.231 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.852 14.990 -2.275 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.397 14.528 -0.675 1.00 0.00 H new ATOM 242 N HIS A 17 3.970 14.080 -0.288 1.00 0.00 N ATOM 243 CA HIS A 17 4.773 12.925 0.097 1.00 0.00 C ATOM 244 C HIS A 17 4.522 12.550 1.554 1.00 0.00 C ATOM 245 O HIS A 17 5.014 13.212 2.469 1.00 0.00 O ATOM 246 CB HIS A 17 6.259 13.215 -0.119 1.00 0.00 C ATOM 247 CG HIS A 17 6.678 14.574 0.352 1.00 0.00 C ATOM 248 ND1 HIS A 17 7.138 14.819 1.628 1.00 0.00 N ATOM 249 CD2 HIS A 17 6.706 15.764 -0.292 1.00 0.00 C ATOM 250 CE1 HIS A 17 7.430 16.102 1.749 1.00 0.00 C ATOM 251 NE2 HIS A 17 7.177 16.697 0.598 1.00 0.00 N ATOM 0 H HIS A 17 3.629 14.636 0.496 1.00 0.00 H new ATOM 0 HA HIS A 17 4.480 12.084 -0.532 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.848 12.461 0.403 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.489 13.120 -1.180 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.413 15.946 -1.315 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.811 16.582 2.638 1.00 0.00 H new ATOM 0 HE2 HIS A 17 7.310 17.689 0.402 1.00 0.00 H new ATOM 259 N ILE A 18 3.754 11.486 1.762 1.00 0.00 N ATOM 260 CA ILE A 18 3.438 11.024 3.108 1.00 0.00 C ATOM 261 C ILE A 18 4.116 9.690 3.404 1.00 0.00 C ATOM 262 O ILE A 18 4.880 9.176 2.589 1.00 0.00 O ATOM 263 CB ILE A 18 1.919 10.870 3.309 1.00 0.00 C ATOM 264 CG1 ILE A 18 1.398 9.664 2.525 1.00 0.00 C ATOM 265 CG2 ILE A 18 1.197 12.140 2.881 1.00 0.00 C ATOM 266 CD1 ILE A 18 -0.096 9.462 2.650 1.00 0.00 C ATOM 0 H ILE A 18 3.339 10.928 1.016 1.00 0.00 H new ATOM 0 HA ILE A 18 3.812 11.781 3.797 1.00 0.00 H new ATOM 0 HB ILE A 18 1.722 10.703 4.368 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.653 9.787 1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.908 8.766 2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.124 12.016 3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.551 12.979 3.480 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.398 12.335 1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.395 8.590 2.069 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.356 9.307 3.697 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.615 10.344 2.274 1.00 0.00 H new ATOM 278 N ASN A 19 3.829 9.134 4.577 1.00 0.00 N ATOM 279 CA ASN A 19 4.409 7.859 4.981 1.00 0.00 C ATOM 280 C ASN A 19 3.319 6.855 5.345 1.00 0.00 C ATOM 281 O ASN A 19 2.339 7.200 6.007 1.00 0.00 O ATOM 282 CB ASN A 19 5.352 8.058 6.170 1.00 0.00 C ATOM 283 CG ASN A 19 6.571 7.158 6.097 1.00 0.00 C ATOM 284 OD1 ASN A 19 7.616 7.552 5.579 1.00 0.00 O ATOM 285 ND2 ASN A 19 6.442 5.944 6.618 1.00 0.00 N ATOM 0 H ASN A 19 3.198 9.547 5.264 1.00 0.00 H new ATOM 0 HA ASN A 19 4.975 7.463 4.138 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.674 9.099 6.205 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.812 7.860 7.096 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.228 5.295 6.599 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.556 5.660 7.037 1.00 0.00 H new ATOM 292 N LEU A 20 3.496 5.614 4.908 1.00 0.00 N ATOM 293 CA LEU A 20 2.528 4.559 5.188 1.00 0.00 C ATOM 294 C LEU A 20 3.233 3.247 5.520 1.00 0.00 C ATOM 295 O LEU A 20 4.377 3.026 5.122 1.00 0.00 O ATOM 296 CB LEU A 20 1.598 4.362 3.990 1.00 0.00 C ATOM 297 CG LEU A 20 0.724 5.560 3.615 1.00 0.00 C ATOM 298 CD1 LEU A 20 -0.095 5.254 2.371 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.186 5.939 4.775 1.00 0.00 C ATOM 0 H LEU A 20 4.301 5.313 4.358 1.00 0.00 H new ATOM 0 HA LEU A 20 1.938 4.862 6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.205 4.095 3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.947 3.513 4.197 1.00 0.00 H new ATOM 0 HG LEU A 20 1.375 6.407 3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.711 6.118 2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.575 5.031 1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.737 4.394 2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.801 6.793 4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.830 5.095 5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.420 6.201 5.642 1.00 0.00 H new ATOM 311 N LYS A 21 2.541 2.378 6.249 1.00 0.00 N ATOM 312 CA LYS A 21 3.097 1.086 6.632 1.00 0.00 C ATOM 313 C LYS A 21 2.094 -0.035 6.379 1.00 0.00 C ATOM 314 O LYS A 21 1.071 -0.130 7.058 1.00 0.00 O ATOM 315 CB LYS A 21 3.503 1.099 8.107 1.00 0.00 C ATOM 316 CG LYS A 21 4.908 1.625 8.347 1.00 0.00 C ATOM 317 CD LYS A 21 5.094 2.084 9.783 1.00 0.00 C ATOM 318 CE LYS A 21 5.207 0.904 10.736 1.00 0.00 C ATOM 319 NZ LYS A 21 5.516 1.340 12.126 1.00 0.00 N ATOM 0 H LYS A 21 1.593 2.545 6.587 1.00 0.00 H new ATOM 0 HA LYS A 21 3.981 0.903 6.020 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.795 1.712 8.665 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.430 0.086 8.504 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.634 0.845 8.117 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.107 2.456 7.670 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.991 2.699 9.856 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.253 2.711 10.077 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.273 0.343 10.731 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.987 0.228 10.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.585 0.506 12.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.420 1.854 12.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.759 1.965 12.470 1.00 0.00 H new ATOM 333 N VAL A 22 2.394 -0.883 5.401 1.00 0.00 N ATOM 334 CA VAL A 22 1.520 -1.999 5.061 1.00 0.00 C ATOM 335 C VAL A 22 1.872 -3.240 5.874 1.00 0.00 C ATOM 336 O VAL A 22 2.703 -4.049 5.463 1.00 0.00 O ATOM 337 CB VAL A 22 1.603 -2.341 3.561 1.00 0.00 C ATOM 338 CG1 VAL A 22 0.557 -3.382 3.192 1.00 0.00 C ATOM 339 CG2 VAL A 22 1.437 -1.085 2.719 1.00 0.00 C ATOM 0 H VAL A 22 3.236 -0.818 4.830 1.00 0.00 H new ATOM 0 HA VAL A 22 0.503 -1.688 5.299 1.00 0.00 H new ATOM 0 HB VAL A 22 2.587 -2.761 3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.631 -3.611 2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.727 -4.290 3.771 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.437 -2.992 3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.498 -1.345 1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.467 -0.634 2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.227 -0.375 2.965 1.00 0.00 H new ATOM 349 N ALA A 23 1.232 -3.384 7.030 1.00 0.00 N ATOM 350 CA ALA A 23 1.475 -4.528 7.900 1.00 0.00 C ATOM 351 C ALA A 23 0.188 -5.303 8.161 1.00 0.00 C ATOM 352 O ALA A 23 -0.877 -4.713 8.337 1.00 0.00 O ATOM 353 CB ALA A 23 2.094 -4.071 9.213 1.00 0.00 C ATOM 0 H ALA A 23 0.542 -2.723 7.385 1.00 0.00 H new ATOM 0 HA ALA A 23 2.173 -5.195 7.395 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.270 -4.936 9.853 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.041 -3.569 9.014 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.415 -3.381 9.714 1.00 0.00 H new ATOM 359 N GLY A 24 0.294 -6.628 8.185 1.00 0.00 N ATOM 360 CA GLY A 24 -0.869 -7.461 8.425 1.00 0.00 C ATOM 361 C GLY A 24 -0.902 -8.019 9.834 1.00 0.00 C ATOM 362 O GLY A 24 0.141 -8.326 10.411 1.00 0.00 O ATOM 0 H GLY A 24 1.165 -7.139 8.042 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.773 -6.878 8.247 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.876 -8.285 7.711 1.00 0.00 H new ATOM 366 N GLN A 25 -2.103 -8.150 10.389 1.00 0.00 N ATOM 367 CA GLN A 25 -2.266 -8.672 11.740 1.00 0.00 C ATOM 368 C GLN A 25 -1.685 -10.078 11.855 1.00 0.00 C ATOM 369 O GLN A 25 -1.397 -10.554 12.953 1.00 0.00 O ATOM 370 CB GLN A 25 -3.746 -8.686 12.129 1.00 0.00 C ATOM 371 CG GLN A 25 -4.540 -9.796 11.460 1.00 0.00 C ATOM 372 CD GLN A 25 -6.020 -9.481 11.369 1.00 0.00 C ATOM 373 OE1 GLN A 25 -6.715 -9.411 12.383 1.00 0.00 O ATOM 374 NE2 GLN A 25 -6.512 -9.289 10.150 1.00 0.00 N ATOM 0 H GLN A 25 -2.976 -7.902 9.924 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.724 -8.018 12.423 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.828 -8.793 13.211 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.191 -7.725 11.869 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.146 -9.966 10.458 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.403 -10.722 12.018 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.900 -9.356 9.337 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.502 -9.074 10.027 1.00 0.00 H new ATOM 383 N ASP A 26 -1.516 -10.737 10.714 1.00 0.00 N ATOM 384 CA ASP A 26 -0.968 -12.088 10.685 1.00 0.00 C ATOM 385 C ASP A 26 0.551 -12.062 10.822 1.00 0.00 C ATOM 386 O ASP A 26 1.096 -12.410 11.868 1.00 0.00 O ATOM 387 CB ASP A 26 -1.364 -12.795 9.388 1.00 0.00 C ATOM 388 CG ASP A 26 -2.866 -12.930 9.237 1.00 0.00 C ATOM 389 OD1 ASP A 26 -3.505 -11.964 8.767 1.00 0.00 O ATOM 390 OD2 ASP A 26 -3.404 -14.001 9.588 1.00 0.00 O ATOM 0 H ASP A 26 -1.751 -10.357 9.797 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.381 -12.639 11.530 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.965 -12.240 8.539 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -0.909 -13.785 9.364 1.00 0.00 H new ATOM 395 N GLY A 27 1.229 -11.647 9.756 1.00 0.00 N ATOM 396 CA GLY A 27 2.679 -11.585 9.777 1.00 0.00 C ATOM 397 C GLY A 27 3.242 -10.790 8.615 1.00 0.00 C ATOM 398 O GLY A 27 4.103 -11.276 7.882 1.00 0.00 O ATOM 0 H GLY A 27 0.800 -11.353 8.879 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.007 -11.135 10.714 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.083 -12.597 9.751 1.00 0.00 H new ATOM 402 N SER A 28 2.754 -9.566 8.446 1.00 0.00 N ATOM 403 CA SER A 28 3.210 -8.704 7.362 1.00 0.00 C ATOM 404 C SER A 28 3.577 -7.319 7.886 1.00 0.00 C ATOM 405 O SER A 28 3.032 -6.857 8.888 1.00 0.00 O ATOM 406 CB SER A 28 2.127 -8.585 6.287 1.00 0.00 C ATOM 407 OG SER A 28 2.177 -9.680 5.389 1.00 0.00 O ATOM 0 H SER A 28 2.043 -9.148 9.046 1.00 0.00 H new ATOM 0 HA SER A 28 4.100 -9.154 6.923 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.145 -8.542 6.759 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.257 -7.653 5.737 1.00 0.00 H new ATOM 0 HG SER A 28 1.474 -9.581 4.713 1.00 0.00 H new ATOM 413 N VAL A 29 4.507 -6.661 7.200 1.00 0.00 N ATOM 414 CA VAL A 29 4.947 -5.329 7.594 1.00 0.00 C ATOM 415 C VAL A 29 5.966 -4.772 6.606 1.00 0.00 C ATOM 416 O VAL A 29 7.086 -5.272 6.504 1.00 0.00 O ATOM 417 CB VAL A 29 5.568 -5.337 9.004 1.00 0.00 C ATOM 418 CG1 VAL A 29 6.653 -6.398 9.103 1.00 0.00 C ATOM 419 CG2 VAL A 29 6.121 -3.963 9.350 1.00 0.00 C ATOM 0 H VAL A 29 4.970 -7.029 6.369 1.00 0.00 H new ATOM 0 HA VAL A 29 4.062 -4.692 7.598 1.00 0.00 H new ATOM 0 HB VAL A 29 4.788 -5.581 9.725 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.080 -6.389 10.106 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.222 -7.379 8.901 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.435 -6.188 8.373 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.556 -3.987 10.349 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.888 -3.687 8.627 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.316 -3.229 9.322 1.00 0.00 H new ATOM 429 N VAL A 30 5.569 -3.732 5.879 1.00 0.00 N ATOM 430 CA VAL A 30 6.448 -3.105 4.899 1.00 0.00 C ATOM 431 C VAL A 30 6.134 -1.621 4.750 1.00 0.00 C ATOM 432 O VAL A 30 5.078 -1.248 4.239 1.00 0.00 O ATOM 433 CB VAL A 30 6.328 -3.784 3.522 1.00 0.00 C ATOM 434 CG1 VAL A 30 7.253 -3.118 2.515 1.00 0.00 C ATOM 435 CG2 VAL A 30 6.631 -5.271 3.633 1.00 0.00 C ATOM 0 H VAL A 30 4.645 -3.306 5.950 1.00 0.00 H new ATOM 0 HA VAL A 30 7.467 -3.223 5.267 1.00 0.00 H new ATOM 0 HB VAL A 30 5.303 -3.670 3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.154 -3.612 1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.985 -2.066 2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.284 -3.198 2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.541 -5.735 2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.645 -5.409 4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.924 -5.736 4.320 1.00 0.00 H new ATOM 445 N GLN A 31 7.059 -0.778 5.199 1.00 0.00 N ATOM 446 CA GLN A 31 6.880 0.667 5.115 1.00 0.00 C ATOM 447 C GLN A 31 7.130 1.165 3.696 1.00 0.00 C ATOM 448 O GLN A 31 8.036 0.690 3.010 1.00 0.00 O ATOM 449 CB GLN A 31 7.822 1.375 6.090 1.00 0.00 C ATOM 450 CG GLN A 31 9.287 1.026 5.884 1.00 0.00 C ATOM 451 CD GLN A 31 10.210 1.823 6.784 1.00 0.00 C ATOM 452 OE1 GLN A 31 10.805 2.814 6.361 1.00 0.00 O ATOM 453 NE2 GLN A 31 10.334 1.393 8.035 1.00 0.00 N ATOM 0 H GLN A 31 7.939 -1.070 5.624 1.00 0.00 H new ATOM 0 HA GLN A 31 5.849 0.897 5.384 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.696 2.453 5.986 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.536 1.118 7.110 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.433 -0.038 6.072 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.556 1.206 4.843 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.822 0.567 8.343 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.941 1.889 8.687 1.00 0.00 H new ATOM 462 N PHE A 32 6.321 2.125 3.260 1.00 0.00 N ATOM 463 CA PHE A 32 6.453 2.687 1.921 1.00 0.00 C ATOM 464 C PHE A 32 5.983 4.138 1.891 1.00 0.00 C ATOM 465 O PHE A 32 5.261 4.587 2.781 1.00 0.00 O ATOM 466 CB PHE A 32 5.650 1.858 0.915 1.00 0.00 C ATOM 467 CG PHE A 32 6.505 1.158 -0.103 1.00 0.00 C ATOM 468 CD1 PHE A 32 6.838 1.783 -1.294 1.00 0.00 C ATOM 469 CD2 PHE A 32 6.975 -0.124 0.132 1.00 0.00 C ATOM 470 CE1 PHE A 32 7.624 1.141 -2.232 1.00 0.00 C ATOM 471 CE2 PHE A 32 7.761 -0.771 -0.803 1.00 0.00 C ATOM 472 CZ PHE A 32 8.086 -0.137 -1.986 1.00 0.00 C ATOM 0 H PHE A 32 5.567 2.530 3.815 1.00 0.00 H new ATOM 0 HA PHE A 32 7.507 2.659 1.645 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.061 1.116 1.455 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.945 2.510 0.399 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.479 2.782 -1.491 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.724 -0.623 1.056 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.877 1.638 -3.157 1.00 0.00 H new ATOM 0 HE2 PHE A 32 8.120 -1.771 -0.609 1.00 0.00 H new ATOM 0 HZ PHE A 32 8.701 -0.640 -2.718 1.00 0.00 H new ATOM 482 N LYS A 33 6.400 4.868 0.862 1.00 0.00 N ATOM 483 CA LYS A 33 6.023 6.268 0.713 1.00 0.00 C ATOM 484 C LYS A 33 5.160 6.471 -0.528 1.00 0.00 C ATOM 485 O LYS A 33 5.302 5.752 -1.518 1.00 0.00 O ATOM 486 CB LYS A 33 7.272 7.148 0.628 1.00 0.00 C ATOM 487 CG LYS A 33 8.189 6.792 -0.530 1.00 0.00 C ATOM 488 CD LYS A 33 9.615 7.249 -0.273 1.00 0.00 C ATOM 489 CE LYS A 33 10.490 7.065 -1.503 1.00 0.00 C ATOM 490 NZ LYS A 33 10.463 5.660 -1.997 1.00 0.00 N ATOM 0 H LYS A 33 7.000 4.512 0.118 1.00 0.00 H new ATOM 0 HA LYS A 33 5.442 6.556 1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.966 8.190 0.532 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.829 7.064 1.561 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.175 5.714 -0.688 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.817 7.254 -1.445 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.614 8.299 0.020 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.034 6.685 0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.151 7.735 -2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.516 7.347 -1.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.206 5.529 -2.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.629 5.010 -1.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.535 5.459 -2.421 1.00 0.00 H new ATOM 504 N ILE A 34 4.268 7.454 -0.469 1.00 0.00 N ATOM 505 CA ILE A 34 3.385 7.752 -1.589 1.00 0.00 C ATOM 506 C ILE A 34 2.888 9.192 -1.530 1.00 0.00 C ATOM 507 O ILE A 34 2.839 9.801 -0.461 1.00 0.00 O ATOM 508 CB ILE A 34 2.172 6.803 -1.618 1.00 0.00 C ATOM 509 CG1 ILE A 34 1.605 6.707 -3.036 1.00 0.00 C ATOM 510 CG2 ILE A 34 1.103 7.280 -0.646 1.00 0.00 C ATOM 511 CD1 ILE A 34 2.558 6.074 -4.026 1.00 0.00 C ATOM 0 H ILE A 34 4.138 8.058 0.343 1.00 0.00 H new ATOM 0 HA ILE A 34 3.970 7.609 -2.498 1.00 0.00 H new ATOM 0 HB ILE A 34 2.499 5.810 -1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.682 6.128 -3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.345 7.707 -3.383 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.252 6.599 -0.678 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.513 7.301 0.364 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.777 8.282 -0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.090 6.039 -5.010 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.472 6.665 -4.080 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.799 5.061 -3.702 1.00 0.00 H new ATOM 523 N LYS A 35 2.518 9.733 -2.686 1.00 0.00 N ATOM 524 CA LYS A 35 2.021 11.101 -2.767 1.00 0.00 C ATOM 525 C LYS A 35 0.625 11.210 -2.161 1.00 0.00 C ATOM 526 O LYS A 35 0.097 10.240 -1.617 1.00 0.00 O ATOM 527 CB LYS A 35 1.994 11.570 -4.223 1.00 0.00 C ATOM 528 CG LYS A 35 3.375 11.765 -4.825 1.00 0.00 C ATOM 529 CD LYS A 35 3.792 10.568 -5.663 1.00 0.00 C ATOM 530 CE LYS A 35 2.957 10.457 -6.930 1.00 0.00 C ATOM 531 NZ LYS A 35 3.628 11.097 -8.095 1.00 0.00 N ATOM 0 H LYS A 35 2.553 9.244 -3.580 1.00 0.00 H new ATOM 0 HA LYS A 35 2.696 11.740 -2.198 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.446 10.841 -4.820 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.445 12.510 -4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.380 12.663 -5.443 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.101 11.923 -4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.846 10.657 -5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.686 9.656 -5.075 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.770 9.406 -7.151 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.986 10.926 -6.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.027 11.000 -8.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.783 12.106 -7.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.543 10.633 -8.267 1.00 0.00 H new ATOM 545 N ARG A 36 0.033 12.395 -2.261 1.00 0.00 N ATOM 546 CA ARG A 36 -1.302 12.630 -1.723 1.00 0.00 C ATOM 547 C ARG A 36 -2.359 11.917 -2.561 1.00 0.00 C ATOM 548 O ARG A 36 -3.160 11.140 -2.040 1.00 0.00 O ATOM 549 CB ARG A 36 -1.599 14.130 -1.675 1.00 0.00 C ATOM 550 CG ARG A 36 -3.061 14.453 -1.412 1.00 0.00 C ATOM 551 CD ARG A 36 -3.286 15.951 -1.284 1.00 0.00 C ATOM 552 NE ARG A 36 -2.585 16.515 -0.134 1.00 0.00 N ATOM 553 CZ ARG A 36 -2.640 17.798 0.204 1.00 0.00 C ATOM 554 NH1 ARG A 36 -3.360 18.646 -0.516 1.00 0.00 N ATOM 555 NH2 ARG A 36 -1.974 18.235 1.265 1.00 0.00 N ATOM 0 H ARG A 36 0.456 13.208 -2.709 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.335 12.228 -0.710 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.989 14.588 -0.897 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.300 14.581 -2.621 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.673 14.060 -2.224 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.386 13.956 -0.498 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.947 16.447 -2.194 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.354 16.150 -1.191 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.022 15.889 0.442 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.874 18.314 -1.332 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.400 19.631 -0.254 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.419 17.585 1.822 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.017 19.221 1.524 1.00 0.00 H new ATOM 569 N HIS A 37 -2.357 12.188 -3.863 1.00 0.00 N ATOM 570 CA HIS A 37 -3.315 11.573 -4.774 1.00 0.00 C ATOM 571 C HIS A 37 -2.634 10.534 -5.659 1.00 0.00 C ATOM 572 O HIS A 37 -2.206 10.837 -6.773 1.00 0.00 O ATOM 573 CB HIS A 37 -3.984 12.640 -5.641 1.00 0.00 C ATOM 574 CG HIS A 37 -3.019 13.617 -6.238 1.00 0.00 C ATOM 575 ND1 HIS A 37 -2.537 13.507 -7.526 1.00 0.00 N ATOM 576 CD2 HIS A 37 -2.448 14.728 -5.718 1.00 0.00 C ATOM 577 CE1 HIS A 37 -1.709 14.507 -7.770 1.00 0.00 C ATOM 578 NE2 HIS A 37 -1.638 15.263 -6.689 1.00 0.00 N ATOM 0 H HIS A 37 -1.702 12.830 -4.310 1.00 0.00 H new ATOM 0 HA HIS A 37 -4.076 11.072 -4.177 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -4.536 12.151 -6.443 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.712 13.183 -5.038 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -2.782 12.769 -8.186 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -2.601 15.121 -4.724 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -1.180 14.678 -8.696 1.00 0.00 H new ATOM 586 N THR A 38 -2.535 9.307 -5.156 1.00 0.00 N ATOM 587 CA THR A 38 -1.904 8.224 -5.900 1.00 0.00 C ATOM 588 C THR A 38 -2.728 6.944 -5.812 1.00 0.00 C ATOM 589 O THR A 38 -3.123 6.505 -4.733 1.00 0.00 O ATOM 590 CB THR A 38 -0.481 7.942 -5.383 1.00 0.00 C ATOM 591 OG1 THR A 38 0.415 8.965 -5.832 1.00 0.00 O ATOM 592 CG2 THR A 38 0.010 6.584 -5.862 1.00 0.00 C ATOM 0 H THR A 38 -2.884 9.039 -4.236 1.00 0.00 H new ATOM 0 HA THR A 38 -1.847 8.546 -6.940 1.00 0.00 H new ATOM 0 HB THR A 38 -0.509 7.937 -4.293 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.317 8.779 -5.498 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.017 6.407 -5.484 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.658 5.805 -5.494 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.023 6.565 -6.952 1.00 0.00 H new ATOM 600 N PRO A 39 -2.992 6.330 -6.975 1.00 0.00 N ATOM 601 CA PRO A 39 -3.770 5.090 -7.055 1.00 0.00 C ATOM 602 C PRO A 39 -3.017 3.894 -6.482 1.00 0.00 C ATOM 603 O PRO A 39 -1.959 3.514 -6.986 1.00 0.00 O ATOM 604 CB PRO A 39 -3.995 4.909 -8.558 1.00 0.00 C ATOM 605 CG PRO A 39 -2.863 5.634 -9.201 1.00 0.00 C ATOM 606 CD PRO A 39 -2.552 6.797 -8.300 1.00 0.00 C ATOM 0 HA PRO A 39 -4.691 5.150 -6.476 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.997 3.854 -8.834 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.956 5.321 -8.867 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.996 4.983 -9.312 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.135 5.976 -10.200 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.489 7.039 -8.308 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.086 7.697 -8.607 1.00 0.00 H new ATOM 614 N LEU A 40 -3.567 3.305 -5.426 1.00 0.00 N ATOM 615 CA LEU A 40 -2.947 2.152 -4.784 1.00 0.00 C ATOM 616 C LEU A 40 -2.628 1.065 -5.806 1.00 0.00 C ATOM 617 O LEU A 40 -1.761 0.222 -5.580 1.00 0.00 O ATOM 618 CB LEU A 40 -3.867 1.592 -3.698 1.00 0.00 C ATOM 619 CG LEU A 40 -4.231 2.552 -2.565 1.00 0.00 C ATOM 620 CD1 LEU A 40 -5.552 2.151 -1.927 1.00 0.00 C ATOM 621 CD2 LEU A 40 -3.123 2.591 -1.522 1.00 0.00 C ATOM 0 H LEU A 40 -4.441 3.607 -4.996 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.013 2.481 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.789 1.253 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.390 0.713 -3.264 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.343 3.552 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.794 2.846 -1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.341 2.176 -2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.469 1.142 -1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.399 3.279 -0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.978 1.593 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.197 2.928 -1.987 1.00 0.00 H new ATOM 633 N SER A 41 -3.334 1.094 -6.932 1.00 0.00 N ATOM 634 CA SER A 41 -3.128 0.111 -7.989 1.00 0.00 C ATOM 635 C SER A 41 -1.641 -0.062 -8.287 1.00 0.00 C ATOM 636 O SER A 41 -1.092 -1.156 -8.154 1.00 0.00 O ATOM 637 CB SER A 41 -3.868 0.533 -9.259 1.00 0.00 C ATOM 638 OG SER A 41 -3.437 1.809 -9.700 1.00 0.00 O ATOM 0 H SER A 41 -4.054 1.788 -7.136 1.00 0.00 H new ATOM 0 HA SER A 41 -3.526 -0.844 -7.646 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.698 -0.203 -10.044 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.941 0.554 -9.069 1.00 0.00 H new ATOM 0 HG SER A 41 -3.924 2.055 -10.514 1.00 0.00 H new ATOM 644 N LYS A 42 -0.995 1.026 -8.691 1.00 0.00 N ATOM 645 CA LYS A 42 0.428 0.998 -9.007 1.00 0.00 C ATOM 646 C LYS A 42 1.226 0.368 -7.870 1.00 0.00 C ATOM 647 O LYS A 42 2.276 -0.236 -8.095 1.00 0.00 O ATOM 648 CB LYS A 42 0.939 2.415 -9.279 1.00 0.00 C ATOM 649 CG LYS A 42 0.641 3.395 -8.158 1.00 0.00 C ATOM 650 CD LYS A 42 1.804 4.343 -7.921 1.00 0.00 C ATOM 651 CE LYS A 42 1.825 5.466 -8.947 1.00 0.00 C ATOM 652 NZ LYS A 42 2.950 6.412 -8.711 1.00 0.00 N ATOM 0 H LYS A 42 -1.435 1.939 -8.807 1.00 0.00 H new ATOM 0 HA LYS A 42 0.564 0.391 -9.902 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.016 2.379 -9.442 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.490 2.783 -10.201 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.253 3.969 -8.403 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.426 2.846 -7.241 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.732 4.766 -6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.742 3.789 -7.967 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.911 5.042 -9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.880 6.009 -8.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.929 7.162 -9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.855 6.836 -7.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.853 5.899 -8.771 1.00 0.00 H new ATOM 666 N LEU A 43 0.722 0.511 -6.650 1.00 0.00 N ATOM 667 CA LEU A 43 1.387 -0.047 -5.477 1.00 0.00 C ATOM 668 C LEU A 43 1.219 -1.562 -5.424 1.00 0.00 C ATOM 669 O LEU A 43 2.195 -2.307 -5.502 1.00 0.00 O ATOM 670 CB LEU A 43 0.828 0.585 -4.201 1.00 0.00 C ATOM 671 CG LEU A 43 1.803 0.708 -3.030 1.00 0.00 C ATOM 672 CD1 LEU A 43 2.479 -0.626 -2.755 1.00 0.00 C ATOM 673 CD2 LEU A 43 2.840 1.785 -3.311 1.00 0.00 C ATOM 0 H LEU A 43 -0.145 1.008 -6.446 1.00 0.00 H new ATOM 0 HA LEU A 43 2.451 0.179 -5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.457 1.581 -4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.029 -0.003 -3.874 1.00 0.00 H new ATOM 0 HG LEU A 43 1.240 0.996 -2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.169 -0.518 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.724 -1.373 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.029 -0.945 -3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.526 1.859 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.398 1.527 -4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.340 2.742 -3.457 1.00 0.00 H new ATOM 685 N MET A 44 -0.025 -2.010 -5.293 1.00 0.00 N ATOM 686 CA MET A 44 -0.321 -3.437 -5.234 1.00 0.00 C ATOM 687 C MET A 44 0.308 -4.172 -6.413 1.00 0.00 C ATOM 688 O MET A 44 0.909 -5.233 -6.247 1.00 0.00 O ATOM 689 CB MET A 44 -1.834 -3.666 -5.223 1.00 0.00 C ATOM 690 CG MET A 44 -2.562 -2.971 -6.362 1.00 0.00 C ATOM 691 SD MET A 44 -4.355 -3.107 -6.226 1.00 0.00 S ATOM 692 CE MET A 44 -4.602 -4.815 -6.706 1.00 0.00 C ATOM 0 H MET A 44 -0.844 -1.406 -5.226 1.00 0.00 H new ATOM 0 HA MET A 44 0.106 -3.833 -4.313 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.032 -4.737 -5.276 1.00 0.00 H new ATOM 0 HB3 MET A 44 -2.240 -3.314 -4.275 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.282 -1.918 -6.378 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.240 -3.401 -7.310 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.670 -5.033 -6.741 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.165 -4.983 -7.691 1.00 0.00 H new ATOM 0 HE3 MET A 44 -4.122 -5.470 -5.979 1.00 0.00 H new ATOM 702 N LYS A 45 0.164 -3.601 -7.605 1.00 0.00 N ATOM 703 CA LYS A 45 0.719 -4.201 -8.813 1.00 0.00 C ATOM 704 C LYS A 45 2.192 -4.546 -8.622 1.00 0.00 C ATOM 705 O LYS A 45 2.603 -5.689 -8.822 1.00 0.00 O ATOM 706 CB LYS A 45 0.556 -3.250 -10.000 1.00 0.00 C ATOM 707 CG LYS A 45 0.392 -3.962 -11.332 1.00 0.00 C ATOM 708 CD LYS A 45 -0.496 -3.173 -12.280 1.00 0.00 C ATOM 709 CE LYS A 45 -1.969 -3.362 -11.951 1.00 0.00 C ATOM 710 NZ LYS A 45 -2.487 -4.664 -12.457 1.00 0.00 N ATOM 0 H LYS A 45 -0.332 -2.724 -7.760 1.00 0.00 H new ATOM 0 HA LYS A 45 0.172 -5.122 -9.016 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.312 -2.614 -9.828 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.426 -2.595 -10.052 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.370 -4.112 -11.788 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.038 -4.950 -11.167 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.242 -2.115 -12.222 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.308 -3.490 -13.306 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.110 -3.310 -10.871 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.546 -2.547 -12.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.494 -4.755 -12.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.376 -4.704 -13.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.953 -5.443 -12.021 1.00 0.00 H new ATOM 724 N ALA A 46 2.982 -3.551 -8.232 1.00 0.00 N ATOM 725 CA ALA A 46 4.409 -3.751 -8.011 1.00 0.00 C ATOM 726 C ALA A 46 4.656 -4.801 -6.932 1.00 0.00 C ATOM 727 O ALA A 46 5.563 -5.625 -7.051 1.00 0.00 O ATOM 728 CB ALA A 46 5.074 -2.436 -7.632 1.00 0.00 C ATOM 0 H ALA A 46 2.658 -2.599 -8.063 1.00 0.00 H new ATOM 0 HA ALA A 46 4.848 -4.113 -8.941 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.139 -2.600 -7.470 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.937 -1.714 -8.437 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.623 -2.051 -6.718 1.00 0.00 H new ATOM 734 N TYR A 47 3.845 -4.764 -5.881 1.00 0.00 N ATOM 735 CA TYR A 47 3.977 -5.710 -4.780 1.00 0.00 C ATOM 736 C TYR A 47 4.035 -7.144 -5.298 1.00 0.00 C ATOM 737 O TYR A 47 5.012 -7.859 -5.071 1.00 0.00 O ATOM 738 CB TYR A 47 2.810 -5.555 -3.803 1.00 0.00 C ATOM 739 CG TYR A 47 3.214 -5.683 -2.352 1.00 0.00 C ATOM 740 CD1 TYR A 47 4.167 -6.612 -1.954 1.00 0.00 C ATOM 741 CD2 TYR A 47 2.644 -4.872 -1.378 1.00 0.00 C ATOM 742 CE1 TYR A 47 4.538 -6.732 -0.629 1.00 0.00 C ATOM 743 CE2 TYR A 47 3.010 -4.984 -0.051 1.00 0.00 C ATOM 744 CZ TYR A 47 3.957 -5.916 0.319 1.00 0.00 C ATOM 745 OH TYR A 47 4.326 -6.032 1.640 1.00 0.00 O ATOM 0 H TYR A 47 3.089 -4.089 -5.768 1.00 0.00 H new ATOM 0 HA TYR A 47 4.909 -5.493 -4.258 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.345 -4.581 -3.957 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.055 -6.308 -4.029 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.626 -7.252 -2.693 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.902 -4.141 -1.664 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.279 -7.461 -0.337 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.557 -4.345 0.693 1.00 0.00 H new ATOM 0 HH TYR A 47 3.824 -5.384 2.178 1.00 0.00 H new ATOM 755 N CYS A 48 2.982 -7.557 -5.995 1.00 0.00 N ATOM 756 CA CYS A 48 2.911 -8.906 -6.546 1.00 0.00 C ATOM 757 C CYS A 48 4.176 -9.239 -7.331 1.00 0.00 C ATOM 758 O CYS A 48 4.729 -10.331 -7.200 1.00 0.00 O ATOM 759 CB CYS A 48 1.684 -9.047 -7.448 1.00 0.00 C ATOM 760 SG CYS A 48 1.596 -10.620 -8.333 1.00 0.00 S ATOM 0 H CYS A 48 2.166 -6.977 -6.192 1.00 0.00 H new ATOM 0 HA CYS A 48 2.825 -9.607 -5.716 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.786 -8.933 -6.842 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.684 -8.234 -8.174 1.00 0.00 H new ATOM 0 HG CYS A 48 0.524 -10.645 -9.067 1.00 0.00 H new ATOM 766 N GLU A 49 4.626 -8.292 -8.148 1.00 0.00 N ATOM 767 CA GLU A 49 5.824 -8.488 -8.956 1.00 0.00 C ATOM 768 C GLU A 49 6.984 -8.987 -8.098 1.00 0.00 C ATOM 769 O GLU A 49 7.696 -9.917 -8.479 1.00 0.00 O ATOM 770 CB GLU A 49 6.216 -7.182 -9.651 1.00 0.00 C ATOM 771 CG GLU A 49 7.061 -7.386 -10.898 1.00 0.00 C ATOM 772 CD GLU A 49 6.302 -8.084 -12.010 1.00 0.00 C ATOM 773 OE1 GLU A 49 5.084 -7.838 -12.141 1.00 0.00 O ATOM 774 OE2 GLU A 49 6.924 -8.874 -12.749 1.00 0.00 O ATOM 0 H GLU A 49 4.180 -7.383 -8.268 1.00 0.00 H new ATOM 0 HA GLU A 49 5.602 -9.242 -9.711 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.311 -6.638 -9.921 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.766 -6.557 -8.948 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.413 -6.419 -11.256 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.944 -7.972 -10.642 1.00 0.00 H new ATOM 781 N ARG A 50 7.167 -8.363 -6.939 1.00 0.00 N ATOM 782 CA ARG A 50 8.240 -8.742 -6.028 1.00 0.00 C ATOM 783 C ARG A 50 7.912 -10.052 -5.318 1.00 0.00 C ATOM 784 O ARG A 50 8.605 -11.054 -5.493 1.00 0.00 O ATOM 785 CB ARG A 50 8.478 -7.636 -4.998 1.00 0.00 C ATOM 786 CG ARG A 50 9.916 -7.554 -4.514 1.00 0.00 C ATOM 787 CD ARG A 50 10.223 -8.640 -3.494 1.00 0.00 C ATOM 788 NE ARG A 50 11.551 -8.480 -2.907 1.00 0.00 N ATOM 789 CZ ARG A 50 12.677 -8.778 -3.546 1.00 0.00 C ATOM 790 NH1 ARG A 50 12.636 -9.247 -4.785 1.00 0.00 N ATOM 791 NH2 ARG A 50 13.847 -8.605 -2.945 1.00 0.00 N ATOM 0 H ARG A 50 6.586 -7.593 -6.609 1.00 0.00 H new ATOM 0 HA ARG A 50 9.148 -8.884 -6.614 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.195 -6.678 -5.434 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.824 -7.802 -4.142 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.593 -7.649 -5.363 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.097 -6.575 -4.070 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.472 -8.618 -2.704 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.153 -9.617 -3.973 1.00 0.00 H new ATOM 0 HE ARG A 50 11.617 -8.120 -1.955 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.738 -9.380 -5.251 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.502 -9.475 -5.273 1.00 0.00 H new ATOM 0 HH21 ARG A 50 13.882 -8.243 -1.992 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.711 -8.834 -3.436 1.00 0.00 H new ATOM 805 N GLN A 51 6.853 -10.035 -4.515 1.00 0.00 N ATOM 806 CA GLN A 51 6.435 -11.222 -3.778 1.00 0.00 C ATOM 807 C GLN A 51 4.924 -11.412 -3.864 1.00 0.00 C ATOM 808 O GLN A 51 4.193 -11.085 -2.930 1.00 0.00 O ATOM 809 CB GLN A 51 6.865 -11.115 -2.314 1.00 0.00 C ATOM 810 CG GLN A 51 8.341 -11.406 -2.090 1.00 0.00 C ATOM 811 CD GLN A 51 8.618 -12.000 -0.724 1.00 0.00 C ATOM 812 OE1 GLN A 51 7.861 -11.787 0.224 1.00 0.00 O ATOM 813 NE2 GLN A 51 9.708 -12.750 -0.614 1.00 0.00 N ATOM 0 H GLN A 51 6.269 -9.213 -4.358 1.00 0.00 H new ATOM 0 HA GLN A 51 6.918 -12.089 -4.229 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.642 -10.112 -1.951 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.272 -11.809 -1.718 1.00 0.00 H new ATOM 0 HG2 GLN A 51 8.693 -12.094 -2.859 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.910 -10.483 -2.203 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.308 -12.901 -1.425 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.946 -13.176 0.282 1.00 0.00 H new ATOM 822 N GLY A 52 4.463 -11.943 -4.992 1.00 0.00 N ATOM 823 CA GLY A 52 3.041 -12.167 -5.179 1.00 0.00 C ATOM 824 C GLY A 52 2.623 -13.576 -4.808 1.00 0.00 C ATOM 825 O GLY A 52 2.326 -14.394 -5.680 1.00 0.00 O ATOM 0 H GLY A 52 5.048 -12.222 -5.779 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.481 -11.454 -4.574 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.780 -11.976 -6.220 1.00 0.00 H new ATOM 829 N LEU A 53 2.600 -13.862 -3.511 1.00 0.00 N ATOM 830 CA LEU A 53 2.216 -15.183 -3.025 1.00 0.00 C ATOM 831 C LEU A 53 0.713 -15.257 -2.778 1.00 0.00 C ATOM 832 O LEU A 53 0.113 -16.329 -2.855 1.00 0.00 O ATOM 833 CB LEU A 53 2.972 -15.514 -1.737 1.00 0.00 C ATOM 834 CG LEU A 53 4.410 -14.999 -1.652 1.00 0.00 C ATOM 835 CD1 LEU A 53 4.464 -13.698 -0.866 1.00 0.00 C ATOM 836 CD2 LEU A 53 5.314 -16.046 -1.018 1.00 0.00 C ATOM 0 H LEU A 53 2.843 -13.197 -2.777 1.00 0.00 H new ATOM 0 HA LEU A 53 2.476 -15.914 -3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.411 -15.107 -0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.987 -16.597 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 53 4.767 -14.804 -2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.494 -13.346 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.848 -12.948 -1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.088 -13.867 0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.333 -15.663 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.959 -16.272 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.298 -16.954 -1.621 1.00 0.00 H new ATOM 848 N SER A 54 0.109 -14.109 -2.485 1.00 0.00 N ATOM 849 CA SER A 54 -1.324 -14.044 -2.226 1.00 0.00 C ATOM 850 C SER A 54 -1.844 -12.620 -2.400 1.00 0.00 C ATOM 851 O SER A 54 -2.036 -11.894 -1.425 1.00 0.00 O ATOM 852 CB SER A 54 -1.631 -14.541 -0.812 1.00 0.00 C ATOM 853 OG SER A 54 -0.692 -14.038 0.122 1.00 0.00 O ATOM 0 H SER A 54 0.590 -13.212 -2.421 1.00 0.00 H new ATOM 0 HA SER A 54 -1.828 -14.687 -2.948 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.636 -14.231 -0.525 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.617 -15.631 -0.795 1.00 0.00 H new ATOM 0 HG SER A 54 -0.647 -13.062 0.048 1.00 0.00 H new ATOM 859 N MET A 55 -2.068 -12.228 -3.650 1.00 0.00 N ATOM 860 CA MET A 55 -2.566 -10.891 -3.953 1.00 0.00 C ATOM 861 C MET A 55 -4.061 -10.790 -3.668 1.00 0.00 C ATOM 862 O MET A 55 -4.566 -9.722 -3.322 1.00 0.00 O ATOM 863 CB MET A 55 -2.289 -10.540 -5.416 1.00 0.00 C ATOM 864 CG MET A 55 -2.810 -9.171 -5.822 1.00 0.00 C ATOM 865 SD MET A 55 -2.192 -8.641 -7.431 1.00 0.00 S ATOM 866 CE MET A 55 -3.073 -9.760 -8.517 1.00 0.00 C ATOM 0 H MET A 55 -1.913 -12.816 -4.469 1.00 0.00 H new ATOM 0 HA MET A 55 -2.043 -10.182 -3.311 1.00 0.00 H new ATOM 0 HB2 MET A 55 -1.214 -10.578 -5.593 1.00 0.00 H new ATOM 0 HB3 MET A 55 -2.744 -11.297 -6.055 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.900 -9.194 -5.845 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.522 -8.439 -5.068 1.00 0.00 H new ATOM 0 HE1 MET A 55 -2.865 -9.499 -9.555 1.00 0.00 H new ATOM 0 HE2 MET A 55 -2.747 -10.783 -8.328 1.00 0.00 H new ATOM 0 HE3 MET A 55 -4.144 -9.680 -8.330 1.00 0.00 H new ATOM 876 N ARG A 56 -4.764 -11.909 -3.817 1.00 0.00 N ATOM 877 CA ARG A 56 -6.201 -11.945 -3.577 1.00 0.00 C ATOM 878 C ARG A 56 -6.514 -11.685 -2.106 1.00 0.00 C ATOM 879 O ARG A 56 -7.611 -11.246 -1.764 1.00 0.00 O ATOM 880 CB ARG A 56 -6.776 -13.298 -3.999 1.00 0.00 C ATOM 881 CG ARG A 56 -6.112 -14.482 -3.316 1.00 0.00 C ATOM 882 CD ARG A 56 -6.128 -15.718 -4.203 1.00 0.00 C ATOM 883 NE ARG A 56 -5.297 -15.549 -5.392 1.00 0.00 N ATOM 884 CZ ARG A 56 -5.145 -16.486 -6.321 1.00 0.00 C ATOM 885 NH1 ARG A 56 -5.764 -17.652 -6.200 1.00 0.00 N ATOM 886 NH2 ARG A 56 -4.372 -16.257 -7.375 1.00 0.00 N ATOM 0 H ARG A 56 -4.361 -12.802 -4.103 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.663 -11.159 -4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.843 -13.314 -3.779 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.672 -13.407 -5.079 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.083 -14.227 -3.063 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.626 -14.698 -2.379 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.775 -16.578 -3.633 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.153 -15.934 -4.505 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.807 -14.663 -5.516 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.359 -17.832 -5.392 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.645 -18.369 -6.915 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.894 -15.361 -7.472 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.256 -16.977 -8.088 1.00 0.00 H new ATOM 900 N GLN A 57 -5.541 -11.959 -1.242 1.00 0.00 N ATOM 901 CA GLN A 57 -5.714 -11.756 0.191 1.00 0.00 C ATOM 902 C GLN A 57 -5.381 -10.320 0.581 1.00 0.00 C ATOM 903 O GLN A 57 -5.813 -9.834 1.627 1.00 0.00 O ATOM 904 CB GLN A 57 -4.830 -12.728 0.976 1.00 0.00 C ATOM 905 CG GLN A 57 -5.536 -14.019 1.357 1.00 0.00 C ATOM 906 CD GLN A 57 -6.294 -14.634 0.198 1.00 0.00 C ATOM 907 OE1 GLN A 57 -7.348 -14.139 -0.203 1.00 0.00 O ATOM 908 NE2 GLN A 57 -5.761 -15.720 -0.349 1.00 0.00 N ATOM 0 H GLN A 57 -4.626 -12.322 -1.510 1.00 0.00 H new ATOM 0 HA GLN A 57 -6.759 -11.947 0.436 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.949 -12.967 0.380 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.478 -12.235 1.882 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.802 -14.735 1.726 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.229 -13.822 2.175 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.886 -16.097 0.015 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.227 -16.177 -1.133 1.00 0.00 H new ATOM 917 N ILE A 58 -4.610 -9.646 -0.265 1.00 0.00 N ATOM 918 CA ILE A 58 -4.220 -8.265 -0.009 1.00 0.00 C ATOM 919 C ILE A 58 -5.442 -7.359 0.099 1.00 0.00 C ATOM 920 O ILE A 58 -6.246 -7.272 -0.829 1.00 0.00 O ATOM 921 CB ILE A 58 -3.293 -7.727 -1.115 1.00 0.00 C ATOM 922 CG1 ILE A 58 -2.024 -8.577 -1.205 1.00 0.00 C ATOM 923 CG2 ILE A 58 -2.943 -6.270 -0.851 1.00 0.00 C ATOM 924 CD1 ILE A 58 -1.157 -8.503 0.033 1.00 0.00 C ATOM 0 H ILE A 58 -4.243 -10.034 -1.134 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.682 -8.260 0.939 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.817 -7.787 -2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.304 -9.616 -1.381 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.440 -8.254 -2.067 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.287 -5.904 -1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.856 -5.674 -0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.435 -6.186 0.110 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.276 -9.130 -0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.847 -7.471 0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.723 -8.854 0.895 1.00 0.00 H new ATOM 936 N ARG A 59 -5.574 -6.686 1.237 1.00 0.00 N ATOM 937 CA ARG A 59 -6.698 -5.786 1.466 1.00 0.00 C ATOM 938 C ARG A 59 -6.365 -4.766 2.552 1.00 0.00 C ATOM 939 O ARG A 59 -6.148 -5.124 3.710 1.00 0.00 O ATOM 940 CB ARG A 59 -7.943 -6.581 1.863 1.00 0.00 C ATOM 941 CG ARG A 59 -8.782 -7.030 0.678 1.00 0.00 C ATOM 942 CD ARG A 59 -10.176 -7.454 1.112 1.00 0.00 C ATOM 943 NE ARG A 59 -10.148 -8.640 1.965 1.00 0.00 N ATOM 944 CZ ARG A 59 -11.228 -9.158 2.539 1.00 0.00 C ATOM 945 NH1 ARG A 59 -12.415 -8.598 2.353 1.00 0.00 N ATOM 946 NH2 ARG A 59 -11.121 -10.239 3.302 1.00 0.00 N ATOM 0 H ARG A 59 -4.917 -6.747 2.015 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.898 -5.251 0.538 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.637 -7.458 2.434 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -8.559 -5.970 2.523 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.856 -6.218 -0.045 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.288 -7.861 0.175 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.654 -6.634 1.648 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.784 -7.656 0.230 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.250 -9.095 2.129 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.501 -7.767 1.768 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -13.243 -8.998 2.795 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.209 -10.672 3.448 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.951 -10.636 3.743 1.00 0.00 H new ATOM 960 N PHE A 60 -6.326 -3.494 2.169 1.00 0.00 N ATOM 961 CA PHE A 60 -6.018 -2.422 3.109 1.00 0.00 C ATOM 962 C PHE A 60 -7.173 -2.204 4.082 1.00 0.00 C ATOM 963 O PHE A 60 -8.333 -2.123 3.677 1.00 0.00 O ATOM 964 CB PHE A 60 -5.719 -1.125 2.355 1.00 0.00 C ATOM 965 CG PHE A 60 -4.269 -0.958 2.001 1.00 0.00 C ATOM 966 CD1 PHE A 60 -3.365 -0.478 2.936 1.00 0.00 C ATOM 967 CD2 PHE A 60 -3.810 -1.281 0.735 1.00 0.00 C ATOM 968 CE1 PHE A 60 -2.030 -0.323 2.612 1.00 0.00 C ATOM 969 CE2 PHE A 60 -2.476 -1.128 0.406 1.00 0.00 C ATOM 970 CZ PHE A 60 -1.585 -0.649 1.346 1.00 0.00 C ATOM 0 H PHE A 60 -6.504 -3.180 1.215 1.00 0.00 H new ATOM 0 HA PHE A 60 -5.136 -2.714 3.679 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -6.313 -1.100 1.441 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -6.036 -0.279 2.964 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.707 -0.222 3.928 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -4.502 -1.657 -0.004 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.335 0.053 3.349 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -2.131 -1.383 -0.585 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.542 -0.530 1.092 1.00 0.00 H new ATOM 980 N ARG A 61 -6.847 -2.110 5.367 1.00 0.00 N ATOM 981 CA ARG A 61 -7.856 -1.903 6.398 1.00 0.00 C ATOM 982 C ARG A 61 -7.294 -1.074 7.550 1.00 0.00 C ATOM 983 O ARG A 61 -6.213 -1.361 8.065 1.00 0.00 O ATOM 984 CB ARG A 61 -8.363 -3.247 6.923 1.00 0.00 C ATOM 985 CG ARG A 61 -9.809 -3.213 7.388 1.00 0.00 C ATOM 986 CD ARG A 61 -9.950 -2.490 8.719 1.00 0.00 C ATOM 987 NE ARG A 61 -11.062 -3.010 9.510 1.00 0.00 N ATOM 988 CZ ARG A 61 -12.338 -2.752 9.243 1.00 0.00 C ATOM 989 NH1 ARG A 61 -12.660 -1.984 8.211 1.00 0.00 N ATOM 990 NH2 ARG A 61 -13.294 -3.262 10.009 1.00 0.00 N ATOM 0 H ARG A 61 -5.892 -2.174 5.719 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.688 -1.358 5.952 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.260 -3.996 6.138 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.731 -3.565 7.752 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.422 -2.716 6.636 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.185 -4.231 7.484 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.024 -2.590 9.286 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.100 -1.425 8.539 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.848 -3.604 10.311 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.928 -1.590 7.620 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.640 -1.787 8.008 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.050 -3.853 10.804 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.273 -3.063 9.803 1.00 0.00 H new ATOM 1004 N PHE A 62 -8.035 -0.046 7.949 1.00 0.00 N ATOM 1005 CA PHE A 62 -7.610 0.826 9.038 1.00 0.00 C ATOM 1006 C PHE A 62 -8.484 0.618 10.272 1.00 0.00 C ATOM 1007 O PHE A 62 -9.626 0.169 10.170 1.00 0.00 O ATOM 1008 CB PHE A 62 -7.667 2.291 8.600 1.00 0.00 C ATOM 1009 CG PHE A 62 -6.987 3.229 9.555 1.00 0.00 C ATOM 1010 CD1 PHE A 62 -5.604 3.298 9.612 1.00 0.00 C ATOM 1011 CD2 PHE A 62 -7.730 4.042 10.396 1.00 0.00 C ATOM 1012 CE1 PHE A 62 -4.976 4.160 10.491 1.00 0.00 C ATOM 1013 CE2 PHE A 62 -7.107 4.906 11.276 1.00 0.00 C ATOM 1014 CZ PHE A 62 -5.728 4.966 11.323 1.00 0.00 C ATOM 0 H PHE A 62 -8.933 0.204 7.535 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.582 0.571 9.294 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.204 2.387 7.618 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.710 2.589 8.491 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.011 2.671 8.963 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.809 4.000 10.363 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.897 4.203 10.527 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.698 5.534 11.926 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.239 5.642 12.009 1.00 0.00 H new ATOM 1024 N ASP A 63 -7.938 0.948 11.438 1.00 0.00 N ATOM 1025 CA ASP A 63 -8.666 0.798 12.692 1.00 0.00 C ATOM 1026 C ASP A 63 -9.697 1.911 12.858 1.00 0.00 C ATOM 1027 O ASP A 63 -9.657 2.670 13.825 1.00 0.00 O ATOM 1028 CB ASP A 63 -7.696 0.806 13.874 1.00 0.00 C ATOM 1029 CG ASP A 63 -8.278 0.141 15.106 1.00 0.00 C ATOM 1030 OD1 ASP A 63 -9.012 -0.857 14.951 1.00 0.00 O ATOM 1031 OD2 ASP A 63 -7.998 0.618 16.225 1.00 0.00 O ATOM 0 H ASP A 63 -6.994 1.321 11.540 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.189 -0.158 12.667 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.777 0.295 13.589 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.428 1.835 14.113 1.00 0.00 H new ATOM 1036 N GLY A 64 -10.621 2.001 11.905 1.00 0.00 N ATOM 1037 CA GLY A 64 -11.649 3.024 11.964 1.00 0.00 C ATOM 1038 C GLY A 64 -12.690 2.862 10.875 1.00 0.00 C ATOM 1039 O GLY A 64 -13.865 3.164 11.082 1.00 0.00 O ATOM 0 H GLY A 64 -10.676 1.384 11.094 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.138 2.988 12.938 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.185 4.006 11.876 1.00 0.00 H new ATOM 1043 N GLN A 65 -12.259 2.385 9.711 1.00 0.00 N ATOM 1044 CA GLN A 65 -13.164 2.186 8.585 1.00 0.00 C ATOM 1045 C GLN A 65 -12.496 1.360 7.490 1.00 0.00 C ATOM 1046 O GLN A 65 -11.273 1.238 7.430 1.00 0.00 O ATOM 1047 CB GLN A 65 -13.613 3.535 8.021 1.00 0.00 C ATOM 1048 CG GLN A 65 -14.964 3.994 8.545 1.00 0.00 C ATOM 1049 CD GLN A 65 -15.731 4.824 7.535 1.00 0.00 C ATOM 1050 OE1 GLN A 65 -15.331 5.939 7.198 1.00 0.00 O ATOM 1051 NE2 GLN A 65 -16.841 4.283 7.044 1.00 0.00 N ATOM 0 H GLN A 65 -11.289 2.129 9.523 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.037 1.641 8.944 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.864 4.288 8.263 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.658 3.468 6.934 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -15.558 3.122 8.819 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -14.818 4.578 9.453 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -17.136 3.356 7.351 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -17.398 4.795 6.360 1.00 0.00 H new ATOM 1060 N PRO A 66 -13.318 0.778 6.604 1.00 0.00 N ATOM 1061 CA PRO A 66 -12.829 -0.047 5.495 1.00 0.00 C ATOM 1062 C PRO A 66 -12.108 0.777 4.434 1.00 0.00 C ATOM 1063 O PRO A 66 -12.204 2.005 4.417 1.00 0.00 O ATOM 1064 CB PRO A 66 -14.108 -0.660 4.919 1.00 0.00 C ATOM 1065 CG PRO A 66 -15.187 0.298 5.289 1.00 0.00 C ATOM 1066 CD PRO A 66 -14.787 0.881 6.616 1.00 0.00 C ATOM 0 HA PRO A 66 -12.098 -0.785 5.826 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -14.038 -0.779 3.838 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -14.296 -1.649 5.337 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -15.291 1.079 4.535 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -16.150 -0.207 5.359 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.117 1.915 6.717 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.222 0.325 7.447 1.00 0.00 H new ATOM 1074 N ILE A 67 -11.388 0.095 3.550 1.00 0.00 N ATOM 1075 CA ILE A 67 -10.653 0.765 2.484 1.00 0.00 C ATOM 1076 C ILE A 67 -10.705 -0.040 1.190 1.00 0.00 C ATOM 1077 O ILE A 67 -10.475 -1.248 1.189 1.00 0.00 O ATOM 1078 CB ILE A 67 -9.181 0.994 2.874 1.00 0.00 C ATOM 1079 CG1 ILE A 67 -9.094 1.716 4.220 1.00 0.00 C ATOM 1080 CG2 ILE A 67 -8.465 1.790 1.793 1.00 0.00 C ATOM 1081 CD1 ILE A 67 -7.678 1.872 4.731 1.00 0.00 C ATOM 0 H ILE A 67 -11.298 -0.921 3.551 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.134 1.731 2.328 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.691 0.025 2.970 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.548 2.702 4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.679 1.166 4.957 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.426 1.944 2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.502 1.241 0.852 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.954 2.756 1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.692 2.392 5.689 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.227 0.888 4.859 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.094 2.448 4.014 1.00 0.00 H new ATOM 1093 N ASN A 68 -11.008 0.640 0.088 1.00 0.00 N ATOM 1094 CA ASN A 68 -11.089 -0.012 -1.214 1.00 0.00 C ATOM 1095 C ASN A 68 -9.886 0.351 -2.080 1.00 0.00 C ATOM 1096 O ASN A 68 -8.967 1.032 -1.627 1.00 0.00 O ATOM 1097 CB ASN A 68 -12.383 0.385 -1.926 1.00 0.00 C ATOM 1098 CG ASN A 68 -13.611 0.152 -1.067 1.00 0.00 C ATOM 1099 OD1 ASN A 68 -13.723 -0.870 -0.390 1.00 0.00 O ATOM 1100 ND2 ASN A 68 -14.539 1.101 -1.092 1.00 0.00 N ATOM 0 H ASN A 68 -11.201 1.641 0.071 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.086 -1.090 -1.054 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.333 1.437 -2.205 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.476 -0.186 -2.850 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -15.387 0.999 -0.535 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.404 1.932 -1.668 1.00 0.00 H new ATOM 1107 N GLU A 69 -9.902 -0.108 -3.327 1.00 0.00 N ATOM 1108 CA GLU A 69 -8.812 0.169 -4.256 1.00 0.00 C ATOM 1109 C GLU A 69 -8.961 1.557 -4.871 1.00 0.00 C ATOM 1110 O GLU A 69 -7.983 2.165 -5.307 1.00 0.00 O ATOM 1111 CB GLU A 69 -8.773 -0.889 -5.360 1.00 0.00 C ATOM 1112 CG GLU A 69 -10.036 -0.936 -6.204 1.00 0.00 C ATOM 1113 CD GLU A 69 -10.017 -2.061 -7.221 1.00 0.00 C ATOM 1114 OE1 GLU A 69 -8.974 -2.247 -7.881 1.00 0.00 O ATOM 1115 OE2 GLU A 69 -11.046 -2.755 -7.356 1.00 0.00 O ATOM 0 H GLU A 69 -10.656 -0.673 -3.717 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.876 0.137 -3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.920 -0.693 -6.009 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.612 -1.868 -4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.900 -1.056 -5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.158 0.015 -6.722 1.00 0.00 H new ATOM 1122 N THR A 70 -10.194 2.054 -4.904 1.00 0.00 N ATOM 1123 CA THR A 70 -10.473 3.369 -5.467 1.00 0.00 C ATOM 1124 C THR A 70 -10.158 4.474 -4.466 1.00 0.00 C ATOM 1125 O THR A 70 -9.767 5.577 -4.847 1.00 0.00 O ATOM 1126 CB THR A 70 -11.945 3.492 -5.904 1.00 0.00 C ATOM 1127 OG1 THR A 70 -12.167 4.763 -6.526 1.00 0.00 O ATOM 1128 CG2 THR A 70 -12.878 3.335 -4.712 1.00 0.00 C ATOM 0 H THR A 70 -11.015 1.565 -4.547 1.00 0.00 H new ATOM 0 HA THR A 70 -9.831 3.481 -6.341 1.00 0.00 H new ATOM 0 HB THR A 70 -12.157 2.697 -6.619 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.105 4.833 -6.802 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.912 3.426 -5.045 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.727 2.355 -4.259 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.664 4.112 -3.978 1.00 0.00 H new ATOM 1136 N ASP A 71 -10.330 4.171 -3.184 1.00 0.00 N ATOM 1137 CA ASP A 71 -10.062 5.139 -2.127 1.00 0.00 C ATOM 1138 C ASP A 71 -8.566 5.417 -2.011 1.00 0.00 C ATOM 1139 O ASP A 71 -7.740 4.636 -2.484 1.00 0.00 O ATOM 1140 CB ASP A 71 -10.603 4.630 -0.790 1.00 0.00 C ATOM 1141 CG ASP A 71 -12.113 4.735 -0.699 1.00 0.00 C ATOM 1142 OD1 ASP A 71 -12.722 5.337 -1.609 1.00 0.00 O ATOM 1143 OD2 ASP A 71 -12.685 4.215 0.281 1.00 0.00 O ATOM 0 H ASP A 71 -10.654 3.263 -2.852 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.568 6.070 -2.384 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -10.305 3.591 -0.653 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.152 5.201 0.022 1.00 0.00 H new ATOM 1148 N THR A 72 -8.224 6.536 -1.380 1.00 0.00 N ATOM 1149 CA THR A 72 -6.829 6.919 -1.204 1.00 0.00 C ATOM 1150 C THR A 72 -6.545 7.314 0.240 1.00 0.00 C ATOM 1151 O THR A 72 -7.448 7.652 1.006 1.00 0.00 O ATOM 1152 CB THR A 72 -6.447 8.089 -2.130 1.00 0.00 C ATOM 1153 OG1 THR A 72 -7.573 8.952 -2.319 1.00 0.00 O ATOM 1154 CG2 THR A 72 -5.961 7.577 -3.477 1.00 0.00 C ATOM 0 H THR A 72 -8.895 7.193 -0.982 1.00 0.00 H new ATOM 0 HA THR A 72 -6.227 6.048 -1.464 1.00 0.00 H new ATOM 0 HB THR A 72 -5.638 8.647 -1.659 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.321 9.694 -2.907 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.697 8.422 -4.114 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.085 6.945 -3.331 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.752 6.997 -3.953 1.00 0.00 H new ATOM 1162 N PRO A 73 -5.261 7.273 0.625 1.00 0.00 N ATOM 1163 CA PRO A 73 -4.828 7.625 1.980 1.00 0.00 C ATOM 1164 C PRO A 73 -4.967 9.117 2.264 1.00 0.00 C ATOM 1165 O PRO A 73 -4.865 9.553 3.410 1.00 0.00 O ATOM 1166 CB PRO A 73 -3.355 7.211 2.001 1.00 0.00 C ATOM 1167 CG PRO A 73 -2.926 7.266 0.576 1.00 0.00 C ATOM 1168 CD PRO A 73 -4.132 6.879 -0.235 1.00 0.00 C ATOM 0 HA PRO A 73 -5.433 7.134 2.742 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.763 7.886 2.619 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.231 6.210 2.413 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.582 8.265 0.310 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.096 6.584 0.392 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.156 7.399 -1.193 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.145 5.811 -0.451 1.00 0.00 H new ATOM 1176 N ALA A 74 -5.200 9.895 1.212 1.00 0.00 N ATOM 1177 CA ALA A 74 -5.355 11.338 1.348 1.00 0.00 C ATOM 1178 C ALA A 74 -6.773 11.699 1.779 1.00 0.00 C ATOM 1179 O ALA A 74 -6.994 12.731 2.412 1.00 0.00 O ATOM 1180 CB ALA A 74 -5.006 12.032 0.041 1.00 0.00 C ATOM 0 H ALA A 74 -5.286 9.550 0.256 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.669 11.681 2.123 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.126 13.109 0.158 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.973 11.809 -0.225 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.668 11.676 -0.748 1.00 0.00 H new ATOM 1186 N GLN A 75 -7.729 10.844 1.430 1.00 0.00 N ATOM 1187 CA GLN A 75 -9.125 11.075 1.780 1.00 0.00 C ATOM 1188 C GLN A 75 -9.494 10.338 3.063 1.00 0.00 C ATOM 1189 O GLN A 75 -10.673 10.163 3.374 1.00 0.00 O ATOM 1190 CB GLN A 75 -10.040 10.627 0.639 1.00 0.00 C ATOM 1191 CG GLN A 75 -11.405 11.295 0.655 1.00 0.00 C ATOM 1192 CD GLN A 75 -11.355 12.736 0.185 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -11.051 13.648 1.101 1.00 0.00 O flip ATOM 1194 NE2 GLN A 75 -11.587 13.026 -0.989 1.00 0.00 N flip ATOM 0 H GLN A 75 -7.562 9.985 0.905 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.259 12.144 1.945 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.552 10.840 -0.312 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.173 9.547 0.694 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -12.088 10.733 0.018 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.810 11.260 1.666 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.817 12.293 -1.660 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.549 14.000 -1.291 1.00 0.00 H new ATOM 1203 N LEU A 76 -8.480 9.907 3.805 1.00 0.00 N ATOM 1204 CA LEU A 76 -8.697 9.188 5.055 1.00 0.00 C ATOM 1205 C LEU A 76 -7.869 9.794 6.184 1.00 0.00 C ATOM 1206 O LEU A 76 -7.880 9.298 7.310 1.00 0.00 O ATOM 1207 CB LEU A 76 -8.342 7.710 4.885 1.00 0.00 C ATOM 1208 CG LEU A 76 -9.475 6.798 4.411 1.00 0.00 C ATOM 1209 CD1 LEU A 76 -9.521 6.750 2.891 1.00 0.00 C ATOM 1210 CD2 LEU A 76 -9.309 5.399 4.986 1.00 0.00 C ATOM 0 H LEU A 76 -7.499 10.043 3.562 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.752 9.275 5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.519 7.634 4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.974 7.333 5.839 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.420 7.207 4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.333 6.097 2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.688 7.754 2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.575 6.365 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.124 4.764 4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.357 4.981 4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.327 5.449 6.075 1.00 0.00 H new ATOM 1222 N GLU A 77 -7.154 10.871 5.873 1.00 0.00 N ATOM 1223 CA GLU A 77 -6.322 11.546 6.862 1.00 0.00 C ATOM 1224 C GLU A 77 -5.405 10.552 7.570 1.00 0.00 C ATOM 1225 O GLU A 77 -5.239 10.604 8.788 1.00 0.00 O ATOM 1226 CB GLU A 77 -7.196 12.270 7.888 1.00 0.00 C ATOM 1227 CG GLU A 77 -8.147 13.281 7.272 1.00 0.00 C ATOM 1228 CD GLU A 77 -9.425 13.444 8.072 1.00 0.00 C ATOM 1229 OE1 GLU A 77 -10.218 12.482 8.126 1.00 0.00 O ATOM 1230 OE2 GLU A 77 -9.630 14.535 8.645 1.00 0.00 O ATOM 0 H GLU A 77 -7.134 11.294 4.945 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.704 12.278 6.341 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.774 11.533 8.445 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.553 12.779 8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.646 14.246 7.195 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.395 12.969 6.258 1.00 0.00 H new ATOM 1237 N MET A 78 -4.812 9.649 6.797 1.00 0.00 N ATOM 1238 CA MET A 78 -3.911 8.643 7.349 1.00 0.00 C ATOM 1239 C MET A 78 -2.479 8.880 6.880 1.00 0.00 C ATOM 1240 O MET A 78 -2.073 8.392 5.827 1.00 0.00 O ATOM 1241 CB MET A 78 -4.367 7.241 6.943 1.00 0.00 C ATOM 1242 CG MET A 78 -4.795 7.138 5.488 1.00 0.00 C ATOM 1243 SD MET A 78 -5.179 5.447 4.995 1.00 0.00 S ATOM 1244 CE MET A 78 -6.285 4.952 6.314 1.00 0.00 C ATOM 0 H MET A 78 -4.939 9.593 5.786 1.00 0.00 H new ATOM 0 HA MET A 78 -3.937 8.725 8.436 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.555 6.537 7.125 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.199 6.940 7.580 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.670 7.767 5.325 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.000 7.526 4.851 1.00 0.00 H new ATOM 0 HE1 MET A 78 -6.963 4.180 5.950 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.704 4.560 7.148 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.862 5.814 6.648 1.00 0.00 H new ATOM 1254 N GLU A 79 -1.719 9.633 7.670 1.00 0.00 N ATOM 1255 CA GLU A 79 -0.333 9.935 7.333 1.00 0.00 C ATOM 1256 C GLU A 79 0.534 9.983 8.589 1.00 0.00 C ATOM 1257 O GLU A 79 0.125 9.523 9.655 1.00 0.00 O ATOM 1258 CB GLU A 79 -0.244 11.269 6.588 1.00 0.00 C ATOM 1259 CG GLU A 79 -1.466 11.573 5.738 1.00 0.00 C ATOM 1260 CD GLU A 79 -1.332 12.872 4.967 1.00 0.00 C ATOM 1261 OE1 GLU A 79 -0.391 13.640 5.257 1.00 0.00 O ATOM 1262 OE2 GLU A 79 -2.168 13.120 4.074 1.00 0.00 O ATOM 0 H GLU A 79 -2.040 10.044 8.547 1.00 0.00 H new ATOM 0 HA GLU A 79 0.038 9.140 6.686 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.107 12.072 7.312 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.640 11.261 5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.629 10.754 5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.346 11.624 6.379 1.00 0.00 H new ATOM 1269 N ASP A 80 1.731 10.541 8.453 1.00 0.00 N ATOM 1270 CA ASP A 80 2.656 10.650 9.575 1.00 0.00 C ATOM 1271 C ASP A 80 3.090 9.269 10.057 1.00 0.00 C ATOM 1272 O ASP A 80 3.061 8.982 11.253 1.00 0.00 O ATOM 1273 CB ASP A 80 2.009 11.425 10.724 1.00 0.00 C ATOM 1274 CG ASP A 80 3.017 12.227 11.522 1.00 0.00 C ATOM 1275 OD1 ASP A 80 3.769 13.013 10.909 1.00 0.00 O ATOM 1276 OD2 ASP A 80 3.056 12.068 12.760 1.00 0.00 O ATOM 0 H ASP A 80 2.084 10.925 7.577 1.00 0.00 H new ATOM 0 HA ASP A 80 3.539 11.191 9.235 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.250 12.097 10.323 1.00 0.00 H new ATOM 0 HB3 ASP A 80 1.498 10.727 11.387 1.00 0.00 H new ATOM 1281 N GLU A 81 3.491 8.419 9.117 1.00 0.00 N ATOM 1282 CA GLU A 81 3.930 7.068 9.447 1.00 0.00 C ATOM 1283 C GLU A 81 2.777 6.246 10.016 1.00 0.00 C ATOM 1284 O GLU A 81 2.889 5.665 11.096 1.00 0.00 O ATOM 1285 CB GLU A 81 5.083 7.113 10.452 1.00 0.00 C ATOM 1286 CG GLU A 81 6.142 8.150 10.116 1.00 0.00 C ATOM 1287 CD GLU A 81 7.238 8.224 11.162 1.00 0.00 C ATOM 1288 OE1 GLU A 81 6.919 8.504 12.336 1.00 0.00 O ATOM 1289 OE2 GLU A 81 8.414 8.002 10.805 1.00 0.00 O ATOM 0 H GLU A 81 3.521 8.642 8.122 1.00 0.00 H new ATOM 0 HA GLU A 81 4.276 6.592 8.530 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.682 7.323 11.443 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.551 6.130 10.500 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.584 7.912 9.148 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.670 9.128 10.020 1.00 0.00 H new ATOM 1296 N ASP A 82 1.670 6.203 9.283 1.00 0.00 N ATOM 1297 CA ASP A 82 0.496 5.452 9.713 1.00 0.00 C ATOM 1298 C ASP A 82 0.535 4.027 9.173 1.00 0.00 C ATOM 1299 O ASP A 82 0.797 3.806 7.990 1.00 0.00 O ATOM 1300 CB ASP A 82 -0.782 6.153 9.249 1.00 0.00 C ATOM 1301 CG ASP A 82 -1.562 6.756 10.400 1.00 0.00 C ATOM 1302 OD1 ASP A 82 -0.945 7.447 11.238 1.00 0.00 O ATOM 1303 OD2 ASP A 82 -2.790 6.538 10.463 1.00 0.00 O ATOM 0 H ASP A 82 1.561 6.680 8.388 1.00 0.00 H new ATOM 0 HA ASP A 82 0.502 5.408 10.802 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.525 6.938 8.538 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.413 5.439 8.721 1.00 0.00 H new ATOM 1308 N THR A 83 0.272 3.060 10.047 1.00 0.00 N ATOM 1309 CA THR A 83 0.279 1.655 9.659 1.00 0.00 C ATOM 1310 C THR A 83 -1.138 1.142 9.427 1.00 0.00 C ATOM 1311 O THR A 83 -1.913 0.983 10.370 1.00 0.00 O ATOM 1312 CB THR A 83 0.961 0.780 10.727 1.00 0.00 C ATOM 1313 OG1 THR A 83 2.209 1.365 11.115 1.00 0.00 O ATOM 1314 CG2 THR A 83 1.195 -0.629 10.204 1.00 0.00 C ATOM 0 H THR A 83 0.051 3.225 11.029 1.00 0.00 H new ATOM 0 HA THR A 83 0.844 1.587 8.730 1.00 0.00 H new ATOM 0 HB THR A 83 0.302 0.723 11.594 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.559 0.897 11.902 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.678 -1.228 10.976 1.00 0.00 H new ATOM 0 HG22 THR A 83 0.240 -1.082 9.938 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.835 -0.588 9.323 1.00 0.00 H new ATOM 1322 N ILE A 84 -1.470 0.885 8.166 1.00 0.00 N ATOM 1323 CA ILE A 84 -2.793 0.388 7.811 1.00 0.00 C ATOM 1324 C ILE A 84 -2.831 -1.137 7.829 1.00 0.00 C ATOM 1325 O ILE A 84 -2.193 -1.793 7.006 1.00 0.00 O ATOM 1326 CB ILE A 84 -3.227 0.885 6.420 1.00 0.00 C ATOM 1327 CG1 ILE A 84 -2.960 2.385 6.284 1.00 0.00 C ATOM 1328 CG2 ILE A 84 -4.699 0.580 6.183 1.00 0.00 C ATOM 1329 CD1 ILE A 84 -1.655 2.706 5.588 1.00 0.00 C ATOM 0 H ILE A 84 -0.841 1.013 7.374 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.486 0.775 8.558 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.641 0.361 5.665 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.780 2.843 5.731 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.954 2.836 7.276 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.990 0.938 5.195 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.862 -0.496 6.242 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.301 1.080 6.942 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.532 3.787 5.527 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.827 2.278 6.152 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.666 2.285 4.583 1.00 0.00 H new ATOM 1341 N ASP A 85 -3.583 -1.694 8.771 1.00 0.00 N ATOM 1342 CA ASP A 85 -3.707 -3.141 8.895 1.00 0.00 C ATOM 1343 C ASP A 85 -4.173 -3.761 7.581 1.00 0.00 C ATOM 1344 O ASP A 85 -5.343 -3.655 7.213 1.00 0.00 O ATOM 1345 CB ASP A 85 -4.685 -3.497 10.016 1.00 0.00 C ATOM 1346 CG ASP A 85 -4.238 -2.966 11.364 1.00 0.00 C ATOM 1347 OD1 ASP A 85 -3.018 -2.970 11.628 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -5.109 -2.548 12.155 1.00 0.00 O ATOM 0 H ASP A 85 -4.117 -1.165 9.461 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.725 -3.545 9.139 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.669 -3.093 9.778 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.790 -4.580 10.072 1.00 0.00 H new ATOM 1353 N VAL A 86 -3.249 -4.407 6.877 1.00 0.00 N ATOM 1354 CA VAL A 86 -3.565 -5.044 5.604 1.00 0.00 C ATOM 1355 C VAL A 86 -3.652 -6.559 5.753 1.00 0.00 C ATOM 1356 O VAL A 86 -2.700 -7.205 6.193 1.00 0.00 O ATOM 1357 CB VAL A 86 -2.514 -4.704 4.531 1.00 0.00 C ATOM 1358 CG1 VAL A 86 -2.838 -5.411 3.223 1.00 0.00 C ATOM 1359 CG2 VAL A 86 -2.429 -3.199 4.326 1.00 0.00 C ATOM 0 H VAL A 86 -2.276 -4.503 7.167 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.534 -4.657 5.289 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.542 -5.056 4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.085 -5.159 2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.843 -6.489 3.384 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.819 -5.092 2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.681 -2.977 3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.399 -2.820 4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.146 -2.720 5.263 1.00 0.00 H new ATOM 1369 N PHE A 87 -4.799 -7.120 5.385 1.00 0.00 N ATOM 1370 CA PHE A 87 -5.010 -8.559 5.478 1.00 0.00 C ATOM 1371 C PHE A 87 -4.033 -9.312 4.580 1.00 0.00 C ATOM 1372 O PHE A 87 -4.018 -9.120 3.365 1.00 0.00 O ATOM 1373 CB PHE A 87 -6.449 -8.911 5.093 1.00 0.00 C ATOM 1374 CG PHE A 87 -6.928 -10.207 5.682 1.00 0.00 C ATOM 1375 CD1 PHE A 87 -6.290 -11.399 5.378 1.00 0.00 C ATOM 1376 CD2 PHE A 87 -8.015 -10.234 6.540 1.00 0.00 C ATOM 1377 CE1 PHE A 87 -6.729 -12.593 5.917 1.00 0.00 C ATOM 1378 CE2 PHE A 87 -8.458 -11.425 7.083 1.00 0.00 C ATOM 1379 CZ PHE A 87 -7.813 -12.606 6.772 1.00 0.00 C ATOM 0 H PHE A 87 -5.596 -6.600 5.020 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.833 -8.860 6.510 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -7.110 -8.107 5.417 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.523 -8.966 4.007 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -5.440 -11.395 4.712 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -8.522 -9.313 6.788 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.225 -13.515 5.670 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -9.308 -11.432 7.750 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.156 -13.538 7.197 1.00 0.00 H new