USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 633 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 94 SER OG : rot 78:sc= -1.22 USER MOD Set 1.2: A 109 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 31 THR OG1 : rot -86:sc= 0.505 USER MOD Set 2.2: A 32 HIS : no HD1:sc= -0.506 K(o=-0.00067,f=-2.5!) USER MOD Single : A 19 MET CE :methyl 177:sc= -4.58 (180deg=-4.68) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 38 SER OG : rot 30:sc= 0.184 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00799 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot -30:sc= -0.379 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN :FLIP amide:sc= -2.87! C(o=-4.1!,f=-2.9!) USER MOD Single : A 89 THR OG1 : rot 71:sc= 0.16 USER MOD Single : A 90 MET CE :methyl -150:sc= -0.327 (180deg=-1.19) USER MOD Single : A 91 TYR OH : rot 66:sc= 0.957 USER MOD Single : A 96 MET CE :methyl -148:sc= -0.482 (180deg=-2.78!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 103 SER OG : rot 180:sc= 0.016 USER MOD Single : A 104 SER OG : rot -73:sc= 0.782 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 107 SER OG : rot -72:sc= -2.3! USER MOD Single : A 108 MET CE :methyl -159:sc= -0.0819 (180deg=-0.488) USER MOD Single : A 111 HIS : no HE2:sc= -0.0646 K(o=-0.065,f=-3.1!) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.481 USER MOD Single : A 114 THR OG1 : rot -167:sc= 1.06 USER MOD Single : A 115 TYR OH : rot 168:sc= 0.00336 USER MOD ----------------------------------------------------------------- ATOM 225 N MET A 19 4.392 18.426 3.283 1.00 0.00 N ATOM 226 CA MET A 19 3.563 17.653 2.366 1.00 0.00 C ATOM 227 C MET A 19 2.549 16.808 3.130 1.00 0.00 C ATOM 228 O MET A 19 2.452 16.894 4.355 1.00 0.00 O ATOM 229 CB MET A 19 4.436 16.753 1.489 1.00 0.00 C ATOM 230 CG MET A 19 5.383 17.522 0.582 1.00 0.00 C ATOM 231 SD MET A 19 4.563 18.174 -0.885 1.00 0.00 S ATOM 232 CE MET A 19 4.176 16.658 -1.758 1.00 0.00 C ATOM 0 HA MET A 19 3.021 18.353 1.730 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.018 16.090 2.129 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.792 16.121 0.877 1.00 0.00 H new ATOM 0 HG2 MET A 19 5.827 18.345 1.141 1.00 0.00 H new ATOM 0 HG3 MET A 19 6.199 16.867 0.277 1.00 0.00 H new ATOM 0 HE1 MET A 19 3.617 16.892 -2.664 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.100 16.145 -2.024 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.575 16.013 -1.118 1.00 0.00 H new ATOM 242 N LEU A 20 1.794 15.994 2.401 1.00 0.00 N ATOM 243 CA LEU A 20 0.787 15.133 3.011 1.00 0.00 C ATOM 244 C LEU A 20 0.409 13.989 2.075 1.00 0.00 C ATOM 245 O LEU A 20 -0.194 14.190 1.021 1.00 0.00 O ATOM 246 CB LEU A 20 -0.458 15.947 3.369 1.00 0.00 C ATOM 247 CG LEU A 20 -1.368 15.345 4.441 1.00 0.00 C ATOM 248 CD1 LEU A 20 -1.766 13.926 4.069 1.00 0.00 C ATOM 249 CD2 LEU A 20 -0.680 15.370 5.798 1.00 0.00 C ATOM 0 H LEU A 20 1.860 15.912 1.386 1.00 0.00 H new ATOM 0 HA LEU A 20 1.210 14.708 3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.139 16.934 3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.045 16.093 2.462 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.273 15.949 4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.413 13.515 4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.299 13.935 3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.872 13.309 3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.341 14.938 6.549 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.242 14.790 5.749 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.447 16.400 6.069 1.00 0.00 H new ATOM 261 N PRO A 21 0.769 12.759 2.469 1.00 0.00 N ATOM 262 CA PRO A 21 0.476 11.558 1.681 1.00 0.00 C ATOM 263 C PRO A 21 -1.012 11.223 1.665 1.00 0.00 C ATOM 264 O PRO A 21 -1.813 11.815 2.389 1.00 0.00 O ATOM 265 CB PRO A 21 1.263 10.460 2.401 1.00 0.00 C ATOM 266 CG PRO A 21 1.397 10.947 3.802 1.00 0.00 C ATOM 267 CD PRO A 21 1.491 12.445 3.714 1.00 0.00 C ATOM 0 HA PRO A 21 0.751 11.682 0.633 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.737 9.506 2.362 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.239 10.305 1.941 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.540 10.645 4.404 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.284 10.528 4.277 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.033 12.928 4.577 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.527 12.781 3.674 1.00 0.00 H new ATOM 275 N PRO A 22 -1.392 10.252 0.823 1.00 0.00 N ATOM 276 CA PRO A 22 -2.786 9.817 0.694 1.00 0.00 C ATOM 277 C PRO A 22 -3.277 9.071 1.930 1.00 0.00 C ATOM 278 O PRO A 22 -2.525 8.866 2.883 1.00 0.00 O ATOM 279 CB PRO A 22 -2.755 8.881 -0.517 1.00 0.00 C ATOM 280 CG PRO A 22 -1.354 8.379 -0.573 1.00 0.00 C ATOM 281 CD PRO A 22 -0.491 9.504 -0.070 1.00 0.00 C ATOM 0 HA PRO A 22 -3.467 10.660 0.581 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.465 8.062 -0.402 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.023 9.409 -1.432 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.233 7.489 0.044 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.079 8.101 -1.591 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.384 9.132 0.462 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.126 10.127 -0.887 1.00 0.00 H new ATOM 289 N VAL A 23 -4.543 8.666 1.908 1.00 0.00 N ATOM 290 CA VAL A 23 -5.133 7.941 3.027 1.00 0.00 C ATOM 291 C VAL A 23 -6.101 6.869 2.538 1.00 0.00 C ATOM 292 O VAL A 23 -6.288 6.689 1.335 1.00 0.00 O ATOM 293 CB VAL A 23 -5.878 8.893 3.981 1.00 0.00 C ATOM 294 CG1 VAL A 23 -4.928 9.941 4.540 1.00 0.00 C ATOM 295 CG2 VAL A 23 -7.051 9.550 3.270 1.00 0.00 C ATOM 0 H VAL A 23 -5.180 8.828 1.128 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.312 7.467 3.566 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.269 8.310 4.815 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.473 10.604 5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.125 9.449 5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.505 10.522 3.721 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.566 10.219 3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.686 10.120 2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.743 8.782 2.925 1.00 0.00 H new ATOM 305 N GLY A 24 -6.715 6.159 3.479 1.00 0.00 N ATOM 306 CA GLY A 24 -7.657 5.114 3.125 1.00 0.00 C ATOM 307 C GLY A 24 -7.104 4.166 2.078 1.00 0.00 C ATOM 308 O GLY A 24 -7.813 3.769 1.154 1.00 0.00 O ATOM 0 H GLY A 24 -6.577 6.289 4.481 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.921 4.549 4.019 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.575 5.568 2.752 1.00 0.00 H new ATOM 312 N VAL A 25 -5.833 3.803 2.223 1.00 0.00 N ATOM 313 CA VAL A 25 -5.186 2.897 1.282 1.00 0.00 C ATOM 314 C VAL A 25 -5.805 1.506 1.345 1.00 0.00 C ATOM 315 O VAL A 25 -5.725 0.826 2.367 1.00 0.00 O ATOM 316 CB VAL A 25 -3.674 2.788 1.558 1.00 0.00 C ATOM 317 CG1 VAL A 25 -2.978 2.041 0.431 1.00 0.00 C ATOM 318 CG2 VAL A 25 -3.066 4.169 1.749 1.00 0.00 C ATOM 0 H VAL A 25 -5.232 4.122 2.983 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.337 3.313 0.286 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.530 2.223 2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.911 1.974 0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.395 1.037 0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.128 2.575 -0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.998 4.073 1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.219 4.762 0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.545 4.664 2.594 1.00 0.00 H new ATOM 328 N GLN A 26 -6.422 1.088 0.244 1.00 0.00 N ATOM 329 CA GLN A 26 -7.055 -0.223 0.174 1.00 0.00 C ATOM 330 C GLN A 26 -6.382 -1.098 -0.879 1.00 0.00 C ATOM 331 O GLN A 26 -6.105 -0.646 -1.990 1.00 0.00 O ATOM 332 CB GLN A 26 -8.544 -0.077 -0.143 1.00 0.00 C ATOM 333 CG GLN A 26 -9.243 -1.402 -0.403 1.00 0.00 C ATOM 334 CD GLN A 26 -10.753 -1.294 -0.310 1.00 0.00 C ATOM 335 OE1 GLN A 26 -11.331 -0.247 -0.602 1.00 0.00 O ATOM 336 NE2 GLN A 26 -11.400 -2.379 0.099 1.00 0.00 N ATOM 0 H GLN A 26 -6.497 1.639 -0.611 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.943 -0.705 1.145 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.036 0.427 0.689 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.660 0.563 -1.018 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.969 -1.765 -1.394 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.891 -2.142 0.316 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.880 -3.226 0.331 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.417 -2.366 0.181 1.00 0.00 H new ATOM 345 N ALA A 27 -6.121 -2.351 -0.521 1.00 0.00 N ATOM 346 CA ALA A 27 -5.482 -3.289 -1.436 1.00 0.00 C ATOM 347 C ALA A 27 -6.459 -4.370 -1.885 1.00 0.00 C ATOM 348 O ALA A 27 -6.737 -5.315 -1.147 1.00 0.00 O ATOM 349 CB ALA A 27 -4.261 -3.917 -0.780 1.00 0.00 C ATOM 0 H ALA A 27 -6.342 -2.740 0.396 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.162 -2.736 -2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.794 -4.615 -1.474 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.548 -3.136 -0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.566 -4.450 0.121 1.00 0.00 H new ATOM 355 N VAL A 28 -6.979 -4.224 -3.099 1.00 0.00 N ATOM 356 CA VAL A 28 -7.925 -5.189 -3.647 1.00 0.00 C ATOM 357 C VAL A 28 -7.212 -6.244 -4.485 1.00 0.00 C ATOM 358 O VAL A 28 -6.342 -5.924 -5.295 1.00 0.00 O ATOM 359 CB VAL A 28 -8.994 -4.497 -4.514 1.00 0.00 C ATOM 360 CG1 VAL A 28 -10.069 -5.489 -4.929 1.00 0.00 C ATOM 361 CG2 VAL A 28 -9.603 -3.319 -3.768 1.00 0.00 C ATOM 0 H VAL A 28 -6.761 -3.446 -3.722 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.411 -5.671 -2.799 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.516 -4.118 -5.417 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.815 -4.982 -5.541 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.616 -6.297 -5.504 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.547 -5.900 -4.040 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.356 -2.841 -4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.068 -3.672 -2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.822 -2.598 -3.527 1.00 0.00 H new ATOM 371 N ALA A 29 -7.586 -7.503 -4.285 1.00 0.00 N ATOM 372 CA ALA A 29 -6.983 -8.606 -5.024 1.00 0.00 C ATOM 373 C ALA A 29 -7.818 -8.967 -6.248 1.00 0.00 C ATOM 374 O ALA A 29 -8.951 -9.436 -6.124 1.00 0.00 O ATOM 375 CB ALA A 29 -6.816 -9.818 -4.121 1.00 0.00 C ATOM 0 H ALA A 29 -8.304 -7.785 -3.617 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.000 -8.286 -5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.365 -10.633 -4.686 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.172 -9.559 -3.280 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.791 -10.131 -3.748 1.00 0.00 H new ATOM 381 N LEU A 30 -7.253 -8.746 -7.430 1.00 0.00 N ATOM 382 CA LEU A 30 -7.946 -9.047 -8.678 1.00 0.00 C ATOM 383 C LEU A 30 -7.769 -10.514 -9.058 1.00 0.00 C ATOM 384 O LEU A 30 -8.742 -11.223 -9.316 1.00 0.00 O ATOM 385 CB LEU A 30 -7.427 -8.150 -9.803 1.00 0.00 C ATOM 386 CG LEU A 30 -7.429 -6.648 -9.518 1.00 0.00 C ATOM 387 CD1 LEU A 30 -6.581 -5.909 -10.542 1.00 0.00 C ATOM 388 CD2 LEU A 30 -8.852 -6.108 -9.512 1.00 0.00 C ATOM 0 H LEU A 30 -6.317 -8.359 -7.550 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.009 -8.854 -8.531 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.407 -8.453 -10.041 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.030 -8.332 -10.693 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.995 -6.484 -8.531 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.594 -4.841 -10.323 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.555 -6.276 -10.498 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.985 -6.080 -11.540 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.834 -5.037 -9.308 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.312 -6.284 -10.484 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.430 -6.615 -8.740 1.00 0.00 H new ATOM 400 N THR A 31 -6.518 -10.964 -9.091 1.00 0.00 N ATOM 401 CA THR A 31 -6.212 -12.346 -9.438 1.00 0.00 C ATOM 402 C THR A 31 -4.980 -12.841 -8.691 1.00 0.00 C ATOM 403 O THR A 31 -4.334 -12.083 -7.966 1.00 0.00 O ATOM 404 CB THR A 31 -5.979 -12.506 -10.953 1.00 0.00 C ATOM 405 OG1 THR A 31 -6.182 -13.870 -11.338 1.00 0.00 O ATOM 406 CG2 THR A 31 -4.573 -12.070 -11.333 1.00 0.00 C ATOM 0 H THR A 31 -5.701 -10.391 -8.882 1.00 0.00 H new ATOM 0 HA THR A 31 -7.075 -12.944 -9.145 1.00 0.00 H new ATOM 0 HB THR A 31 -6.693 -11.871 -11.477 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.352 -14.374 -11.206 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.432 -12.192 -12.407 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.432 -11.023 -11.065 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.846 -12.682 -10.800 1.00 0.00 H new ATOM 414 N HIS A 32 -4.657 -14.118 -8.872 1.00 0.00 N ATOM 415 CA HIS A 32 -3.499 -14.714 -8.215 1.00 0.00 C ATOM 416 C HIS A 32 -2.253 -13.859 -8.427 1.00 0.00 C ATOM 417 O HIS A 32 -1.421 -13.725 -7.531 1.00 0.00 O ATOM 418 CB HIS A 32 -3.258 -16.128 -8.744 1.00 0.00 C ATOM 419 CG HIS A 32 -3.224 -16.210 -10.239 1.00 0.00 C ATOM 420 ND1 HIS A 32 -4.358 -16.153 -11.022 1.00 0.00 N ATOM 421 CD2 HIS A 32 -2.185 -16.345 -11.096 1.00 0.00 C ATOM 422 CE1 HIS A 32 -4.018 -16.250 -12.294 1.00 0.00 C ATOM 423 NE2 HIS A 32 -2.704 -16.367 -12.367 1.00 0.00 N ATOM 0 H HIS A 32 -5.181 -14.759 -9.468 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.705 -14.764 -7.146 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.314 -16.500 -8.346 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -4.043 -16.786 -8.370 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -1.141 -16.421 -10.829 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.698 -16.236 -13.133 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -2.163 -16.459 -13.227 1.00 0.00 H new ATOM 432 N ASP A 33 -2.133 -13.285 -9.619 1.00 0.00 N ATOM 433 CA ASP A 33 -0.989 -12.442 -9.949 1.00 0.00 C ATOM 434 C ASP A 33 -1.439 -11.026 -10.293 1.00 0.00 C ATOM 435 O ASP A 33 -0.937 -10.416 -11.237 1.00 0.00 O ATOM 436 CB ASP A 33 -0.209 -13.041 -11.121 1.00 0.00 C ATOM 437 CG ASP A 33 0.275 -14.449 -10.835 1.00 0.00 C ATOM 438 OD1 ASP A 33 0.417 -14.796 -9.644 1.00 0.00 O ATOM 439 OD2 ASP A 33 0.514 -15.203 -11.802 1.00 0.00 O ATOM 0 H ASP A 33 -2.813 -13.388 -10.372 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.339 -12.395 -9.075 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.842 -13.051 -12.008 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.647 -12.405 -11.347 1.00 0.00 H new ATOM 444 N ALA A 34 -2.388 -10.508 -9.520 1.00 0.00 N ATOM 445 CA ALA A 34 -2.905 -9.163 -9.742 1.00 0.00 C ATOM 446 C ALA A 34 -3.511 -8.591 -8.465 1.00 0.00 C ATOM 447 O ALA A 34 -4.124 -9.313 -7.679 1.00 0.00 O ATOM 448 CB ALA A 34 -3.936 -9.172 -10.861 1.00 0.00 C ATOM 0 H ALA A 34 -2.814 -10.999 -8.734 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.073 -8.524 -10.036 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.314 -8.161 -11.016 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.473 -9.531 -11.780 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.762 -9.830 -10.590 1.00 0.00 H new ATOM 454 N VAL A 35 -3.336 -7.289 -8.264 1.00 0.00 N ATOM 455 CA VAL A 35 -3.867 -6.619 -7.083 1.00 0.00 C ATOM 456 C VAL A 35 -4.149 -5.148 -7.365 1.00 0.00 C ATOM 457 O VAL A 35 -3.238 -4.378 -7.672 1.00 0.00 O ATOM 458 CB VAL A 35 -2.894 -6.725 -5.893 1.00 0.00 C ATOM 459 CG1 VAL A 35 -3.184 -5.640 -4.868 1.00 0.00 C ATOM 460 CG2 VAL A 35 -2.978 -8.105 -5.259 1.00 0.00 C ATOM 0 H VAL A 35 -2.830 -6.677 -8.904 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.800 -7.122 -6.827 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.879 -6.580 -6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.487 -5.731 -4.035 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.069 -4.661 -5.332 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.204 -5.750 -4.501 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.284 -8.163 -4.420 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.993 -8.281 -4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.717 -8.862 -5.999 1.00 0.00 H new ATOM 470 N ARG A 36 -5.416 -4.763 -7.259 1.00 0.00 N ATOM 471 CA ARG A 36 -5.819 -3.383 -7.504 1.00 0.00 C ATOM 472 C ARG A 36 -5.780 -2.568 -6.214 1.00 0.00 C ATOM 473 O ARG A 36 -6.622 -2.741 -5.333 1.00 0.00 O ATOM 474 CB ARG A 36 -7.224 -3.338 -8.105 1.00 0.00 C ATOM 475 CG ARG A 36 -7.789 -1.933 -8.230 1.00 0.00 C ATOM 476 CD ARG A 36 -7.069 -1.136 -9.305 1.00 0.00 C ATOM 477 NE ARG A 36 -7.699 -1.287 -10.614 1.00 0.00 N ATOM 478 CZ ARG A 36 -8.895 -0.795 -10.915 1.00 0.00 C ATOM 479 NH1 ARG A 36 -9.587 -0.122 -10.005 1.00 0.00 N ATOM 480 NH2 ARG A 36 -9.402 -0.974 -12.128 1.00 0.00 N ATOM 0 H ARG A 36 -6.182 -5.387 -7.005 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.115 -2.946 -8.212 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.203 -3.801 -9.092 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.894 -3.936 -7.487 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.852 -1.987 -8.466 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.701 -1.418 -7.273 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.057 -0.082 -9.028 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.030 -1.462 -9.363 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.192 -1.798 -11.337 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.201 0.019 -9.072 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.506 0.255 -10.239 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.873 -1.490 -12.831 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.321 -0.595 -12.358 1.00 0.00 H new ATOM 494 N VAL A 37 -4.796 -1.681 -6.109 1.00 0.00 N ATOM 495 CA VAL A 37 -4.647 -0.840 -4.928 1.00 0.00 C ATOM 496 C VAL A 37 -5.325 0.511 -5.127 1.00 0.00 C ATOM 497 O VAL A 37 -4.815 1.375 -5.840 1.00 0.00 O ATOM 498 CB VAL A 37 -3.163 -0.611 -4.585 1.00 0.00 C ATOM 499 CG1 VAL A 37 -3.029 0.231 -3.326 1.00 0.00 C ATOM 500 CG2 VAL A 37 -2.442 -1.941 -4.425 1.00 0.00 C ATOM 0 H VAL A 37 -4.090 -1.526 -6.828 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.126 -1.366 -4.102 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.698 -0.068 -5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.973 0.382 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.509 1.197 -3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.509 -0.282 -2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.395 -1.760 -4.183 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.907 -2.513 -3.622 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.507 -2.504 -5.356 1.00 0.00 H new ATOM 510 N SER A 38 -6.479 0.687 -4.490 1.00 0.00 N ATOM 511 CA SER A 38 -7.230 1.933 -4.600 1.00 0.00 C ATOM 512 C SER A 38 -7.278 2.657 -3.258 1.00 0.00 C ATOM 513 O SER A 38 -7.681 2.085 -2.245 1.00 0.00 O ATOM 514 CB SER A 38 -8.651 1.654 -5.093 1.00 0.00 C ATOM 515 OG SER A 38 -9.310 0.724 -4.252 1.00 0.00 O ATOM 0 H SER A 38 -6.914 -0.017 -3.893 1.00 0.00 H new ATOM 0 HA SER A 38 -6.722 2.573 -5.321 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.217 2.585 -5.125 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.616 1.267 -6.111 1.00 0.00 H new ATOM 0 HG SER A 38 -8.961 0.804 -3.340 1.00 0.00 H new ATOM 521 N TRP A 39 -6.864 3.919 -3.259 1.00 0.00 N ATOM 522 CA TRP A 39 -6.859 4.723 -2.042 1.00 0.00 C ATOM 523 C TRP A 39 -7.733 5.962 -2.205 1.00 0.00 C ATOM 524 O TRP A 39 -8.392 6.137 -3.230 1.00 0.00 O ATOM 525 CB TRP A 39 -5.431 5.135 -1.684 1.00 0.00 C ATOM 526 CG TRP A 39 -4.725 5.856 -2.793 1.00 0.00 C ATOM 527 CD1 TRP A 39 -4.601 7.207 -2.944 1.00 0.00 C ATOM 528 CD2 TRP A 39 -4.047 5.262 -3.905 1.00 0.00 C ATOM 529 NE1 TRP A 39 -3.887 7.490 -4.083 1.00 0.00 N ATOM 530 CE2 TRP A 39 -3.535 6.314 -4.691 1.00 0.00 C ATOM 531 CE3 TRP A 39 -3.821 3.945 -4.314 1.00 0.00 C ATOM 532 CZ2 TRP A 39 -2.814 6.086 -5.860 1.00 0.00 C ATOM 533 CZ3 TRP A 39 -3.105 3.721 -5.474 1.00 0.00 C ATOM 534 CH2 TRP A 39 -2.607 4.787 -6.236 1.00 0.00 C ATOM 0 H TRP A 39 -6.527 4.408 -4.089 1.00 0.00 H new ATOM 0 HA TRP A 39 -7.268 4.116 -1.234 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.455 5.775 -0.802 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.860 4.246 -1.417 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -5.005 7.945 -2.267 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.656 8.424 -4.421 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.199 3.117 -3.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -2.431 6.906 -6.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.926 2.707 -5.799 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.049 4.579 -7.137 1.00 0.00 H new ATOM 545 N ALA A 40 -7.734 6.818 -1.189 1.00 0.00 N ATOM 546 CA ALA A 40 -8.526 8.041 -1.221 1.00 0.00 C ATOM 547 C ALA A 40 -7.638 9.274 -1.083 1.00 0.00 C ATOM 548 O ALA A 40 -6.461 9.167 -0.737 1.00 0.00 O ATOM 549 CB ALA A 40 -9.577 8.019 -0.121 1.00 0.00 C ATOM 0 H ALA A 40 -7.195 6.687 -0.333 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.029 8.094 -2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.161 8.939 -0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.237 7.164 -0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.087 7.938 0.849 1.00 0.00 H new ATOM 555 N ASP A 41 -8.209 10.442 -1.355 1.00 0.00 N ATOM 556 CA ASP A 41 -7.469 11.695 -1.260 1.00 0.00 C ATOM 557 C ASP A 41 -8.131 12.643 -0.266 1.00 0.00 C ATOM 558 O ASP A 41 -9.315 12.955 -0.385 1.00 0.00 O ATOM 559 CB ASP A 41 -7.374 12.361 -2.634 1.00 0.00 C ATOM 560 CG ASP A 41 -8.722 12.832 -3.143 1.00 0.00 C ATOM 561 OD1 ASP A 41 -9.728 12.140 -2.883 1.00 0.00 O ATOM 562 OD2 ASP A 41 -8.770 13.891 -3.803 1.00 0.00 O ATOM 0 H ASP A 41 -9.182 10.547 -1.643 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.464 11.469 -0.904 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.693 13.211 -2.577 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.945 11.657 -3.347 1.00 0.00 H new ATOM 753 N ARG A 54 0.984 17.053 -8.905 1.00 0.00 N ATOM 754 CA ARG A 54 1.859 16.154 -8.163 1.00 0.00 C ATOM 755 C ARG A 54 1.805 14.743 -8.740 1.00 0.00 C ATOM 756 O ARG A 54 1.047 14.470 -9.672 1.00 0.00 O ATOM 757 CB ARG A 54 1.464 16.127 -6.685 1.00 0.00 C ATOM 758 CG ARG A 54 0.844 17.426 -6.197 1.00 0.00 C ATOM 759 CD ARG A 54 -0.668 17.418 -6.361 1.00 0.00 C ATOM 760 NE ARG A 54 -1.343 16.883 -5.182 1.00 0.00 N ATOM 761 CZ ARG A 54 -2.634 16.569 -5.154 1.00 0.00 C ATOM 762 NH1 ARG A 54 -3.383 16.735 -6.235 1.00 0.00 N ATOM 763 NH2 ARG A 54 -3.177 16.087 -4.043 1.00 0.00 N ATOM 0 HA ARG A 54 2.880 16.526 -8.253 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.758 15.313 -6.521 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.348 15.908 -6.085 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.096 17.579 -5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.267 18.263 -6.752 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.018 18.433 -6.550 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.935 16.822 -7.233 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.794 16.743 -4.334 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.969 17.104 -7.091 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.374 16.493 -6.211 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.603 15.957 -3.210 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.168 15.846 -4.023 1.00 0.00 H new ATOM 777 N LEU A 55 2.615 13.849 -8.182 1.00 0.00 N ATOM 778 CA LEU A 55 2.660 12.465 -8.642 1.00 0.00 C ATOM 779 C LEU A 55 2.513 11.498 -7.472 1.00 0.00 C ATOM 780 O LEU A 55 2.989 11.766 -6.369 1.00 0.00 O ATOM 781 CB LEU A 55 3.972 12.195 -9.380 1.00 0.00 C ATOM 782 CG LEU A 55 4.308 10.726 -9.637 1.00 0.00 C ATOM 783 CD1 LEU A 55 3.804 10.294 -11.005 1.00 0.00 C ATOM 784 CD2 LEU A 55 5.807 10.493 -9.520 1.00 0.00 C ATOM 0 H LEU A 55 3.249 14.058 -7.411 1.00 0.00 H new ATOM 0 HA LEU A 55 1.826 12.308 -9.326 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.939 12.712 -10.339 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.786 12.638 -8.806 1.00 0.00 H new ATOM 0 HG LEU A 55 3.807 10.121 -8.881 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.052 9.246 -11.170 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.723 10.422 -11.052 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.275 10.904 -11.776 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.027 9.442 -9.706 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.329 11.108 -10.253 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.140 10.762 -8.517 1.00 0.00 H new ATOM 796 N TYR A 56 1.854 10.372 -7.722 1.00 0.00 N ATOM 797 CA TYR A 56 1.644 9.364 -6.689 1.00 0.00 C ATOM 798 C TYR A 56 2.449 8.103 -6.987 1.00 0.00 C ATOM 799 O TYR A 56 2.340 7.523 -8.068 1.00 0.00 O ATOM 800 CB TYR A 56 0.158 9.020 -6.577 1.00 0.00 C ATOM 801 CG TYR A 56 -0.641 10.034 -5.790 1.00 0.00 C ATOM 802 CD1 TYR A 56 -0.416 11.397 -5.945 1.00 0.00 C ATOM 803 CD2 TYR A 56 -1.620 9.630 -4.891 1.00 0.00 C ATOM 804 CE1 TYR A 56 -1.143 12.327 -5.228 1.00 0.00 C ATOM 805 CE2 TYR A 56 -2.353 10.554 -4.171 1.00 0.00 C ATOM 806 CZ TYR A 56 -2.111 11.901 -4.343 1.00 0.00 C ATOM 807 OH TYR A 56 -2.838 12.823 -3.626 1.00 0.00 O ATOM 0 H TYR A 56 1.456 10.134 -8.631 1.00 0.00 H new ATOM 0 HA TYR A 56 1.987 9.776 -5.740 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.263 8.936 -7.579 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.054 8.043 -6.105 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.340 11.735 -6.638 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.811 8.576 -4.753 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.954 13.382 -5.360 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.112 10.223 -3.477 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.479 12.357 -3.049 1.00 0.00 H new ATOM 817 N THR A 57 3.257 7.682 -6.020 1.00 0.00 N ATOM 818 CA THR A 57 4.082 6.491 -6.177 1.00 0.00 C ATOM 819 C THR A 57 3.495 5.311 -5.409 1.00 0.00 C ATOM 820 O THR A 57 2.860 5.488 -4.370 1.00 0.00 O ATOM 821 CB THR A 57 5.523 6.737 -5.693 1.00 0.00 C ATOM 822 OG1 THR A 57 5.994 7.999 -6.180 1.00 0.00 O ATOM 823 CG2 THR A 57 6.450 5.627 -6.167 1.00 0.00 C ATOM 0 H THR A 57 3.358 8.149 -5.119 1.00 0.00 H new ATOM 0 HA THR A 57 4.099 6.257 -7.241 1.00 0.00 H new ATOM 0 HB THR A 57 5.521 6.746 -4.603 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.910 8.149 -5.867 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.462 5.822 -5.813 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.105 4.672 -5.772 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.447 5.591 -7.256 1.00 0.00 H new ATOM 831 N VAL A 58 3.713 4.107 -5.928 1.00 0.00 N ATOM 832 CA VAL A 58 3.207 2.897 -5.290 1.00 0.00 C ATOM 833 C VAL A 58 4.287 1.824 -5.211 1.00 0.00 C ATOM 834 O VAL A 58 4.887 1.458 -6.222 1.00 0.00 O ATOM 835 CB VAL A 58 1.990 2.331 -6.046 1.00 0.00 C ATOM 836 CG1 VAL A 58 1.315 1.239 -5.230 1.00 0.00 C ATOM 837 CG2 VAL A 58 1.007 3.442 -6.381 1.00 0.00 C ATOM 0 H VAL A 58 4.236 3.943 -6.788 1.00 0.00 H new ATOM 0 HA VAL A 58 2.902 3.175 -4.281 1.00 0.00 H new ATOM 0 HB VAL A 58 2.338 1.891 -6.981 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.458 0.851 -5.780 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.024 0.431 -5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.979 1.651 -4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.154 3.024 -6.915 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.663 3.914 -5.460 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.498 4.186 -7.008 1.00 0.00 H new ATOM 847 N ARG A 59 4.529 1.324 -4.004 1.00 0.00 N ATOM 848 CA ARG A 59 5.538 0.293 -3.793 1.00 0.00 C ATOM 849 C ARG A 59 4.947 -0.902 -3.050 1.00 0.00 C ATOM 850 O ARG A 59 4.065 -0.746 -2.206 1.00 0.00 O ATOM 851 CB ARG A 59 6.722 0.861 -3.008 1.00 0.00 C ATOM 852 CG ARG A 59 6.463 0.975 -1.514 1.00 0.00 C ATOM 853 CD ARG A 59 7.753 1.205 -0.742 1.00 0.00 C ATOM 854 NE ARG A 59 8.570 2.257 -1.341 1.00 0.00 N ATOM 855 CZ ARG A 59 9.511 2.028 -2.250 1.00 0.00 C ATOM 856 NH1 ARG A 59 9.752 0.791 -2.662 1.00 0.00 N ATOM 857 NH2 ARG A 59 10.213 3.037 -2.749 1.00 0.00 N ATOM 0 H ARG A 59 4.040 1.616 -3.158 1.00 0.00 H new ATOM 0 HA ARG A 59 5.887 -0.044 -4.769 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.593 0.226 -3.170 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.969 1.847 -3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.773 1.797 -1.325 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.981 0.065 -1.157 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.516 1.472 0.288 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.325 0.278 -0.707 1.00 0.00 H new ATOM 0 HE ARG A 59 8.409 3.220 -1.045 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.214 0.013 -2.281 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.475 0.618 -3.360 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.030 3.990 -2.435 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.935 2.860 -3.447 1.00 0.00 H new ATOM 871 N TRP A 60 5.440 -2.093 -3.371 1.00 0.00 N ATOM 872 CA TRP A 60 4.960 -3.315 -2.734 1.00 0.00 C ATOM 873 C TRP A 60 6.050 -4.380 -2.711 1.00 0.00 C ATOM 874 O TRP A 60 6.622 -4.719 -3.747 1.00 0.00 O ATOM 875 CB TRP A 60 3.726 -3.845 -3.467 1.00 0.00 C ATOM 876 CG TRP A 60 3.959 -4.079 -4.929 1.00 0.00 C ATOM 877 CD1 TRP A 60 4.239 -5.271 -5.534 1.00 0.00 C ATOM 878 CD2 TRP A 60 3.933 -3.095 -5.969 1.00 0.00 C ATOM 879 NE1 TRP A 60 4.388 -5.087 -6.888 1.00 0.00 N ATOM 880 CE2 TRP A 60 4.205 -3.761 -7.180 1.00 0.00 C ATOM 881 CE3 TRP A 60 3.704 -1.717 -5.995 1.00 0.00 C ATOM 882 CZ2 TRP A 60 4.255 -3.094 -8.401 1.00 0.00 C ATOM 883 CZ3 TRP A 60 3.754 -1.056 -7.208 1.00 0.00 C ATOM 884 CH2 TRP A 60 4.027 -1.745 -8.398 1.00 0.00 C ATOM 0 H TRP A 60 6.171 -2.239 -4.067 1.00 0.00 H new ATOM 0 HA TRP A 60 4.689 -3.078 -1.705 1.00 0.00 H new ATOM 0 HB2 TRP A 60 3.410 -4.779 -3.003 1.00 0.00 H new ATOM 0 HB3 TRP A 60 2.907 -3.135 -3.346 1.00 0.00 H new ATOM 0 HD1 TRP A 60 4.330 -6.219 -5.024 1.00 0.00 H new ATOM 0 HE1 TRP A 60 4.600 -5.819 -7.566 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.492 -1.178 -5.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.466 -3.623 -9.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.580 0.009 -7.240 1.00 0.00 H new ATOM 0 HH2 TRP A 60 4.058 -1.200 -9.330 1.00 0.00 H new ATOM 895 N ARG A 61 6.333 -4.905 -1.523 1.00 0.00 N ATOM 896 CA ARG A 61 7.355 -5.932 -1.365 1.00 0.00 C ATOM 897 C ARG A 61 6.822 -7.111 -0.556 1.00 0.00 C ATOM 898 O ARG A 61 6.087 -6.930 0.415 1.00 0.00 O ATOM 899 CB ARG A 61 8.593 -5.348 -0.681 1.00 0.00 C ATOM 900 CG ARG A 61 9.782 -6.295 -0.663 1.00 0.00 C ATOM 901 CD ARG A 61 9.917 -6.994 0.681 1.00 0.00 C ATOM 902 NE ARG A 61 11.291 -7.414 0.944 1.00 0.00 N ATOM 903 CZ ARG A 61 11.745 -7.729 2.152 1.00 0.00 C ATOM 904 NH1 ARG A 61 10.938 -7.673 3.202 1.00 0.00 N ATOM 905 NH2 ARG A 61 13.008 -8.103 2.310 1.00 0.00 N ATOM 0 H ARG A 61 5.868 -4.636 -0.656 1.00 0.00 H new ATOM 0 HA ARG A 61 7.631 -6.290 -2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.880 -4.428 -1.191 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.338 -5.078 0.344 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.668 -7.039 -1.451 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.695 -5.739 -0.879 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.585 -6.323 1.473 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.261 -7.864 0.704 1.00 0.00 H new ATOM 0 HE ARG A 61 11.937 -7.468 0.157 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.966 -7.388 3.083 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.289 -7.915 4.129 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.631 -8.149 1.504 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.356 -8.345 3.238 1.00 0.00 H new ATOM 919 N THR A 62 7.197 -8.319 -0.963 1.00 0.00 N ATOM 920 CA THR A 62 6.756 -9.528 -0.278 1.00 0.00 C ATOM 921 C THR A 62 6.722 -9.322 1.232 1.00 0.00 C ATOM 922 O THR A 62 7.681 -8.826 1.822 1.00 0.00 O ATOM 923 CB THR A 62 7.671 -10.723 -0.602 1.00 0.00 C ATOM 924 OG1 THR A 62 8.995 -10.261 -0.895 1.00 0.00 O ATOM 925 CG2 THR A 62 7.131 -11.515 -1.783 1.00 0.00 C ATOM 0 H THR A 62 7.806 -8.487 -1.764 1.00 0.00 H new ATOM 0 HA THR A 62 5.749 -9.745 -0.635 1.00 0.00 H new ATOM 0 HB THR A 62 7.699 -11.377 0.270 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.571 -11.027 -1.098 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.795 -12.354 -1.992 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.136 -11.890 -1.545 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.075 -10.869 -2.659 1.00 0.00 H new ATOM 933 N SER A 63 5.611 -9.708 1.852 1.00 0.00 N ATOM 934 CA SER A 63 5.451 -9.563 3.294 1.00 0.00 C ATOM 935 C SER A 63 6.108 -10.724 4.033 1.00 0.00 C ATOM 936 O SER A 63 5.816 -11.890 3.766 1.00 0.00 O ATOM 937 CB SER A 63 3.967 -9.486 3.659 1.00 0.00 C ATOM 938 OG SER A 63 3.791 -9.390 5.062 1.00 0.00 O ATOM 0 H SER A 63 4.809 -10.123 1.378 1.00 0.00 H new ATOM 0 HA SER A 63 5.941 -8.638 3.597 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.514 -8.622 3.173 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.451 -10.370 3.284 1.00 0.00 H new ATOM 0 HG SER A 63 2.834 -9.340 5.269 1.00 0.00 H new ATOM 1028 N TYR A 70 12.081 -4.208 -3.548 1.00 0.00 N ATOM 1029 CA TYR A 70 10.897 -3.360 -3.490 1.00 0.00 C ATOM 1030 C TYR A 70 10.564 -2.794 -4.868 1.00 0.00 C ATOM 1031 O TYR A 70 11.427 -2.239 -5.549 1.00 0.00 O ATOM 1032 CB TYR A 70 11.109 -2.218 -2.495 1.00 0.00 C ATOM 1033 CG TYR A 70 10.614 -2.531 -1.101 1.00 0.00 C ATOM 1034 CD1 TYR A 70 11.400 -3.248 -0.207 1.00 0.00 C ATOM 1035 CD2 TYR A 70 9.360 -2.108 -0.677 1.00 0.00 C ATOM 1036 CE1 TYR A 70 10.951 -3.536 1.067 1.00 0.00 C ATOM 1037 CE2 TYR A 70 8.904 -2.390 0.596 1.00 0.00 C ATOM 1038 CZ TYR A 70 9.702 -3.105 1.464 1.00 0.00 C ATOM 1039 OH TYR A 70 9.252 -3.389 2.733 1.00 0.00 O ATOM 0 HA TYR A 70 10.059 -3.972 -3.156 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.172 -1.979 -2.449 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.598 -1.328 -2.862 1.00 0.00 H new ATOM 0 HD1 TYR A 70 12.379 -3.586 -0.514 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.731 -1.549 -1.354 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.574 -4.096 1.749 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.927 -2.052 0.910 1.00 0.00 H new ATOM 0 HH TYR A 70 8.355 -3.014 2.854 1.00 0.00 H new ATOM 1049 N LYS A 71 9.307 -2.937 -5.271 1.00 0.00 N ATOM 1050 CA LYS A 71 8.856 -2.440 -6.566 1.00 0.00 C ATOM 1051 C LYS A 71 8.309 -1.021 -6.443 1.00 0.00 C ATOM 1052 O LYS A 71 7.923 -0.587 -5.358 1.00 0.00 O ATOM 1053 CB LYS A 71 7.783 -3.363 -7.145 1.00 0.00 C ATOM 1054 CG LYS A 71 7.764 -3.397 -8.664 1.00 0.00 C ATOM 1055 CD LYS A 71 7.191 -4.704 -9.186 1.00 0.00 C ATOM 1056 CE LYS A 71 7.526 -4.911 -10.655 1.00 0.00 C ATOM 1057 NZ LYS A 71 6.736 -6.023 -11.252 1.00 0.00 N ATOM 0 H LYS A 71 8.581 -3.394 -4.719 1.00 0.00 H new ATOM 0 HA LYS A 71 9.713 -2.424 -7.239 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.944 -4.374 -6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.806 -3.041 -6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.171 -2.563 -9.040 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.777 -3.265 -9.044 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.585 -5.535 -8.601 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.109 -4.707 -9.054 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.331 -3.991 -11.205 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.590 -5.125 -10.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.993 -6.133 -12.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.941 -6.907 -10.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.721 -5.808 -11.176 1.00 0.00 H new ATOM 1071 N SER A 72 8.277 -0.305 -7.562 1.00 0.00 N ATOM 1072 CA SER A 72 7.779 1.066 -7.579 1.00 0.00 C ATOM 1073 C SER A 72 7.246 1.433 -8.960 1.00 0.00 C ATOM 1074 O SER A 72 7.835 1.074 -9.979 1.00 0.00 O ATOM 1075 CB SER A 72 8.887 2.038 -7.172 1.00 0.00 C ATOM 1076 OG SER A 72 9.991 1.953 -8.056 1.00 0.00 O ATOM 0 H SER A 72 8.590 -0.651 -8.469 1.00 0.00 H new ATOM 0 HA SER A 72 6.961 1.139 -6.862 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.498 3.056 -7.168 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.213 1.817 -6.156 1.00 0.00 H new ATOM 0 HG SER A 72 10.685 2.586 -7.775 1.00 0.00 H new ATOM 1082 N GLU A 73 6.128 2.151 -8.984 1.00 0.00 N ATOM 1083 CA GLU A 73 5.515 2.567 -10.240 1.00 0.00 C ATOM 1084 C GLU A 73 4.895 3.955 -10.110 1.00 0.00 C ATOM 1085 O GLU A 73 4.422 4.338 -9.040 1.00 0.00 O ATOM 1086 CB GLU A 73 4.448 1.558 -10.671 1.00 0.00 C ATOM 1087 CG GLU A 73 4.983 0.447 -11.558 1.00 0.00 C ATOM 1088 CD GLU A 73 5.945 0.956 -12.614 1.00 0.00 C ATOM 1089 OE1 GLU A 73 5.472 1.454 -13.657 1.00 0.00 O ATOM 1090 OE2 GLU A 73 7.171 0.855 -12.398 1.00 0.00 O ATOM 0 H GLU A 73 5.628 2.457 -8.149 1.00 0.00 H new ATOM 0 HA GLU A 73 6.296 2.607 -11.000 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.998 1.116 -9.782 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.655 2.085 -11.202 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.488 -0.295 -10.940 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.149 -0.058 -12.045 1.00 0.00 H new ATOM 1097 N ASP A 74 4.902 4.705 -11.207 1.00 0.00 N ATOM 1098 CA ASP A 74 4.340 6.051 -11.217 1.00 0.00 C ATOM 1099 C ASP A 74 2.950 6.055 -11.844 1.00 0.00 C ATOM 1100 O ASP A 74 2.773 5.641 -12.991 1.00 0.00 O ATOM 1101 CB ASP A 74 5.261 7.005 -11.979 1.00 0.00 C ATOM 1102 CG ASP A 74 4.924 7.078 -13.456 1.00 0.00 C ATOM 1103 OD1 ASP A 74 3.896 7.697 -13.800 1.00 0.00 O ATOM 1104 OD2 ASP A 74 5.688 6.514 -14.267 1.00 0.00 O ATOM 0 H ASP A 74 5.291 4.404 -12.101 1.00 0.00 H new ATOM 0 HA ASP A 74 4.253 6.390 -10.185 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.188 8.001 -11.543 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.295 6.680 -11.861 1.00 0.00 H new ATOM 1109 N THR A 75 1.965 6.525 -11.085 1.00 0.00 N ATOM 1110 CA THR A 75 0.590 6.580 -11.566 1.00 0.00 C ATOM 1111 C THR A 75 -0.053 7.923 -11.238 1.00 0.00 C ATOM 1112 O THR A 75 0.056 8.419 -10.116 1.00 0.00 O ATOM 1113 CB THR A 75 -0.265 5.453 -10.956 1.00 0.00 C ATOM 1114 OG1 THR A 75 -1.532 5.385 -11.619 1.00 0.00 O ATOM 1115 CG2 THR A 75 -0.478 5.680 -9.467 1.00 0.00 C ATOM 0 H THR A 75 2.094 6.873 -10.135 1.00 0.00 H new ATOM 0 HA THR A 75 0.628 6.452 -12.648 1.00 0.00 H new ATOM 0 HB THR A 75 0.266 4.511 -11.091 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.068 4.665 -11.226 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.084 4.871 -9.059 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.487 5.701 -8.960 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.989 6.630 -9.313 1.00 0.00 H new ATOM 1123 N THR A 76 -0.724 8.510 -12.225 1.00 0.00 N ATOM 1124 CA THR A 76 -1.384 9.796 -12.042 1.00 0.00 C ATOM 1125 C THR A 76 -2.830 9.613 -11.594 1.00 0.00 C ATOM 1126 O THR A 76 -3.674 10.479 -11.824 1.00 0.00 O ATOM 1127 CB THR A 76 -1.361 10.629 -13.337 1.00 0.00 C ATOM 1128 OG1 THR A 76 -1.894 9.862 -14.422 1.00 0.00 O ATOM 1129 CG2 THR A 76 0.056 11.072 -13.671 1.00 0.00 C ATOM 0 H THR A 76 -0.824 8.114 -13.160 1.00 0.00 H new ATOM 0 HA THR A 76 -0.831 10.328 -11.268 1.00 0.00 H new ATOM 0 HB THR A 76 -1.975 11.516 -13.183 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.878 10.399 -15.241 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.047 11.659 -14.590 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.449 11.680 -12.856 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.689 10.195 -13.807 1.00 0.00 H new ATOM 1137 N SER A 77 -3.108 8.482 -10.955 1.00 0.00 N ATOM 1138 CA SER A 77 -4.453 8.185 -10.477 1.00 0.00 C ATOM 1139 C SER A 77 -4.418 7.653 -9.048 1.00 0.00 C ATOM 1140 O SER A 77 -3.346 7.415 -8.488 1.00 0.00 O ATOM 1141 CB SER A 77 -5.129 7.165 -11.396 1.00 0.00 C ATOM 1142 OG SER A 77 -5.322 7.698 -12.695 1.00 0.00 O ATOM 0 H SER A 77 -2.420 7.756 -10.756 1.00 0.00 H new ATOM 0 HA SER A 77 -5.028 9.111 -10.487 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.518 6.264 -11.456 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.090 6.871 -10.974 1.00 0.00 H new ATOM 0 HG SER A 77 -5.754 7.026 -13.263 1.00 0.00 H new ATOM 1148 N LEU A 78 -5.596 7.469 -8.462 1.00 0.00 N ATOM 1149 CA LEU A 78 -5.701 6.966 -7.097 1.00 0.00 C ATOM 1150 C LEU A 78 -5.886 5.452 -7.088 1.00 0.00 C ATOM 1151 O LEU A 78 -6.422 4.887 -6.135 1.00 0.00 O ATOM 1152 CB LEU A 78 -6.870 7.637 -6.374 1.00 0.00 C ATOM 1153 CG LEU A 78 -6.869 9.166 -6.373 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -8.254 9.701 -6.043 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -5.841 9.698 -5.385 1.00 0.00 C ATOM 0 H LEU A 78 -6.492 7.661 -8.911 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.774 7.204 -6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.799 7.294 -6.831 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.877 7.293 -5.340 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.597 9.510 -7.371 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.234 10.791 -6.047 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.967 9.349 -6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.555 9.347 -5.057 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.854 10.788 -5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.082 9.344 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.849 9.344 -5.666 1.00 0.00 H new ATOM 1167 N SER A 79 -5.436 4.800 -8.155 1.00 0.00 N ATOM 1168 CA SER A 79 -5.552 3.351 -8.271 1.00 0.00 C ATOM 1169 C SER A 79 -4.444 2.785 -9.155 1.00 0.00 C ATOM 1170 O SER A 79 -4.072 3.386 -10.163 1.00 0.00 O ATOM 1171 CB SER A 79 -6.919 2.972 -8.843 1.00 0.00 C ATOM 1172 OG SER A 79 -7.126 3.571 -10.111 1.00 0.00 O ATOM 0 H SER A 79 -4.988 5.252 -8.952 1.00 0.00 H new ATOM 0 HA SER A 79 -5.451 2.923 -7.274 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.991 1.888 -8.933 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.704 3.287 -8.156 1.00 0.00 H new ATOM 0 HG SER A 79 -8.006 3.312 -10.456 1.00 0.00 H new ATOM 1178 N TYR A 80 -3.921 1.627 -8.768 1.00 0.00 N ATOM 1179 CA TYR A 80 -2.854 0.981 -9.523 1.00 0.00 C ATOM 1180 C TYR A 80 -3.018 -0.536 -9.509 1.00 0.00 C ATOM 1181 O TYR A 80 -3.324 -1.131 -8.474 1.00 0.00 O ATOM 1182 CB TYR A 80 -1.490 1.362 -8.946 1.00 0.00 C ATOM 1183 CG TYR A 80 -0.342 0.573 -9.533 1.00 0.00 C ATOM 1184 CD1 TYR A 80 0.036 -0.649 -8.991 1.00 0.00 C ATOM 1185 CD2 TYR A 80 0.365 1.049 -10.631 1.00 0.00 C ATOM 1186 CE1 TYR A 80 1.085 -1.374 -9.523 1.00 0.00 C ATOM 1187 CE2 TYR A 80 1.414 0.330 -11.171 1.00 0.00 C ATOM 1188 CZ TYR A 80 1.770 -0.880 -10.614 1.00 0.00 C ATOM 1189 OH TYR A 80 2.815 -1.599 -11.148 1.00 0.00 O ATOM 0 H TYR A 80 -4.218 1.117 -7.936 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.914 1.326 -10.555 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.316 2.424 -9.119 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.507 1.213 -7.866 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.500 -1.039 -8.138 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.090 1.997 -11.069 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.367 -2.321 -9.088 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.952 0.714 -12.025 1.00 0.00 H new ATOM 0 HH TYR A 80 3.248 -2.122 -10.441 1.00 0.00 H new ATOM 1199 N THR A 81 -2.812 -1.158 -10.666 1.00 0.00 N ATOM 1200 CA THR A 81 -2.937 -2.605 -10.789 1.00 0.00 C ATOM 1201 C THR A 81 -1.572 -3.281 -10.738 1.00 0.00 C ATOM 1202 O THR A 81 -0.787 -3.186 -11.681 1.00 0.00 O ATOM 1203 CB THR A 81 -3.644 -2.998 -12.099 1.00 0.00 C ATOM 1204 OG1 THR A 81 -4.790 -2.165 -12.307 1.00 0.00 O ATOM 1205 CG2 THR A 81 -4.071 -4.458 -12.067 1.00 0.00 C ATOM 0 H THR A 81 -2.558 -0.682 -11.531 1.00 0.00 H new ATOM 0 HA THR A 81 -3.538 -2.943 -9.945 1.00 0.00 H new ATOM 0 HB THR A 81 -2.941 -2.859 -12.920 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.233 -2.421 -13.143 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.568 -4.712 -13.003 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.193 -5.091 -11.939 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.758 -4.618 -11.236 1.00 0.00 H new ATOM 1213 N ALA A 82 -1.296 -3.964 -9.632 1.00 0.00 N ATOM 1214 CA ALA A 82 -0.026 -4.659 -9.460 1.00 0.00 C ATOM 1215 C ALA A 82 -0.036 -6.006 -10.176 1.00 0.00 C ATOM 1216 O ALA A 82 -0.561 -6.992 -9.658 1.00 0.00 O ATOM 1217 CB ALA A 82 0.277 -4.847 -7.981 1.00 0.00 C ATOM 0 H ALA A 82 -1.935 -4.051 -8.842 1.00 0.00 H new ATOM 0 HA ALA A 82 0.758 -4.047 -9.905 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.228 -5.367 -7.868 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.336 -3.873 -7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.516 -5.436 -7.519 1.00 0.00 H new ATOM 1223 N THR A 83 0.547 -6.041 -11.370 1.00 0.00 N ATOM 1224 CA THR A 83 0.604 -7.266 -12.157 1.00 0.00 C ATOM 1225 C THR A 83 1.970 -7.932 -12.039 1.00 0.00 C ATOM 1226 O THR A 83 2.989 -7.260 -11.890 1.00 0.00 O ATOM 1227 CB THR A 83 0.305 -6.993 -13.643 1.00 0.00 C ATOM 1228 OG1 THR A 83 1.332 -6.170 -14.207 1.00 0.00 O ATOM 1229 CG2 THR A 83 -1.045 -6.311 -13.807 1.00 0.00 C ATOM 0 H THR A 83 0.987 -5.234 -11.813 1.00 0.00 H new ATOM 0 HA THR A 83 -0.159 -7.934 -11.757 1.00 0.00 H new ATOM 0 HB THR A 83 0.278 -7.949 -14.166 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.135 -6.003 -15.152 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.234 -6.128 -14.865 1.00 0.00 H new ATOM 0 HG22 THR A 83 -1.828 -6.953 -13.404 1.00 0.00 H new ATOM 0 HG23 THR A 83 -1.041 -5.362 -13.270 1.00 0.00 H new ATOM 1237 N GLY A 84 1.983 -9.260 -12.108 1.00 0.00 N ATOM 1238 CA GLY A 84 3.230 -9.996 -12.008 1.00 0.00 C ATOM 1239 C GLY A 84 3.621 -10.281 -10.572 1.00 0.00 C ATOM 1240 O GLY A 84 4.763 -10.045 -10.173 1.00 0.00 O ATOM 0 H GLY A 84 1.152 -9.839 -12.231 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.137 -10.937 -12.550 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.024 -9.427 -12.491 1.00 0.00 H new ATOM 1244 N LEU A 85 2.673 -10.788 -9.792 1.00 0.00 N ATOM 1245 CA LEU A 85 2.924 -11.105 -8.390 1.00 0.00 C ATOM 1246 C LEU A 85 2.927 -12.613 -8.164 1.00 0.00 C ATOM 1247 O LEU A 85 2.702 -13.391 -9.092 1.00 0.00 O ATOM 1248 CB LEU A 85 1.867 -10.446 -7.501 1.00 0.00 C ATOM 1249 CG LEU A 85 1.368 -9.074 -7.956 1.00 0.00 C ATOM 1250 CD1 LEU A 85 0.000 -8.780 -7.361 1.00 0.00 C ATOM 1251 CD2 LEU A 85 2.364 -7.990 -7.570 1.00 0.00 C ATOM 0 H LEU A 85 1.724 -10.989 -10.106 1.00 0.00 H new ATOM 0 HA LEU A 85 3.907 -10.715 -8.125 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.011 -11.117 -7.431 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.277 -10.346 -6.496 1.00 0.00 H new ATOM 0 HG LEU A 85 1.275 -9.084 -9.042 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.339 -7.800 -7.696 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.710 -9.540 -7.687 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.067 -8.789 -6.273 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.993 -7.020 -7.901 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.489 -7.980 -6.487 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.324 -8.193 -8.044 1.00 0.00 H new ATOM 1263 N LYS A 86 3.180 -13.021 -6.925 1.00 0.00 N ATOM 1264 CA LYS A 86 3.208 -14.436 -6.575 1.00 0.00 C ATOM 1265 C LYS A 86 1.878 -14.873 -5.969 1.00 0.00 C ATOM 1266 O LYS A 86 1.290 -14.181 -5.138 1.00 0.00 O ATOM 1267 CB LYS A 86 4.346 -14.716 -5.591 1.00 0.00 C ATOM 1268 CG LYS A 86 4.499 -16.186 -5.241 1.00 0.00 C ATOM 1269 CD LYS A 86 5.363 -16.378 -4.006 1.00 0.00 C ATOM 1270 CE LYS A 86 6.812 -15.999 -4.274 1.00 0.00 C ATOM 1271 NZ LYS A 86 7.755 -16.770 -3.418 1.00 0.00 N ATOM 0 H LYS A 86 3.369 -12.391 -6.146 1.00 0.00 H new ATOM 0 HA LYS A 86 3.376 -15.008 -7.488 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.281 -14.353 -6.017 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.172 -14.149 -4.676 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.516 -16.625 -5.070 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.943 -16.717 -6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.972 -15.771 -3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.312 -17.418 -3.683 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.046 -16.177 -5.324 1.00 0.00 H new ATOM 0 HE3 LYS A 86 6.948 -14.933 -4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.732 -16.483 -3.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.549 -16.580 -2.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.644 -17.787 -3.608 1.00 0.00 H new ATOM 1285 N PRO A 87 1.393 -16.049 -6.393 1.00 0.00 N ATOM 1286 CA PRO A 87 0.128 -16.606 -5.903 1.00 0.00 C ATOM 1287 C PRO A 87 0.217 -17.055 -4.448 1.00 0.00 C ATOM 1288 O PRO A 87 1.305 -17.303 -3.931 1.00 0.00 O ATOM 1289 CB PRO A 87 -0.109 -17.809 -6.820 1.00 0.00 C ATOM 1290 CG PRO A 87 1.250 -18.202 -7.287 1.00 0.00 C ATOM 1291 CD PRO A 87 2.041 -16.927 -7.381 1.00 0.00 C ATOM 0 HA PRO A 87 -0.676 -15.871 -5.925 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.595 -18.625 -6.285 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.755 -17.547 -7.658 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.715 -18.899 -6.590 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.201 -18.703 -8.254 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.093 -17.089 -7.146 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.000 -16.502 -8.384 1.00 0.00 H new ATOM 1299 N ASN A 88 -0.936 -17.157 -3.794 1.00 0.00 N ATOM 1300 CA ASN A 88 -0.987 -17.577 -2.398 1.00 0.00 C ATOM 1301 C ASN A 88 0.053 -16.832 -1.568 1.00 0.00 C ATOM 1302 O ASN A 88 0.642 -17.391 -0.642 1.00 0.00 O ATOM 1303 CB ASN A 88 -0.759 -19.086 -2.288 1.00 0.00 C ATOM 1304 CG ASN A 88 0.632 -19.494 -2.733 1.00 0.00 C ATOM 1305 OD1 ASN A 88 0.724 -20.081 -3.921 1.00 0.00 O flip ATOM 1306 ND2 ASN A 88 1.611 -19.284 -2.018 1.00 0.00 N flip ATOM 0 H ASN A 88 -1.846 -16.955 -4.208 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.976 -17.337 -2.009 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.914 -19.400 -1.256 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -1.499 -19.608 -2.894 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.493 -18.830 -1.112 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.541 -19.564 -2.331 1.00 0.00 H new ATOM 1313 N THR A 89 0.275 -15.565 -1.904 1.00 0.00 N ATOM 1314 CA THR A 89 1.245 -14.743 -1.191 1.00 0.00 C ATOM 1315 C THR A 89 0.758 -13.304 -1.063 1.00 0.00 C ATOM 1316 O THR A 89 0.389 -12.674 -2.053 1.00 0.00 O ATOM 1317 CB THR A 89 2.614 -14.749 -1.898 1.00 0.00 C ATOM 1318 OG1 THR A 89 2.859 -16.033 -2.480 1.00 0.00 O ATOM 1319 CG2 THR A 89 3.728 -14.408 -0.920 1.00 0.00 C ATOM 0 H THR A 89 -0.204 -15.086 -2.666 1.00 0.00 H new ATOM 0 HA THR A 89 1.356 -15.176 -0.197 1.00 0.00 H new ATOM 0 HB THR A 89 2.597 -13.993 -2.683 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.265 -16.163 -3.249 1.00 0.00 H new ATOM 0 HG21 THR A 89 4.685 -14.418 -1.441 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.553 -13.417 -0.501 1.00 0.00 H new ATOM 0 HG23 THR A 89 3.745 -15.144 -0.116 1.00 0.00 H new ATOM 1327 N MET A 90 0.759 -12.791 0.163 1.00 0.00 N ATOM 1328 CA MET A 90 0.318 -11.425 0.419 1.00 0.00 C ATOM 1329 C MET A 90 1.511 -10.507 0.667 1.00 0.00 C ATOM 1330 O MET A 90 2.565 -10.952 1.122 1.00 0.00 O ATOM 1331 CB MET A 90 -0.627 -11.388 1.621 1.00 0.00 C ATOM 1332 CG MET A 90 -1.121 -9.992 1.964 1.00 0.00 C ATOM 1333 SD MET A 90 -0.065 -9.156 3.162 1.00 0.00 S ATOM 1334 CE MET A 90 -0.246 -10.233 4.582 1.00 0.00 C ATOM 0 H MET A 90 1.060 -13.300 0.994 1.00 0.00 H new ATOM 0 HA MET A 90 -0.215 -11.070 -0.463 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.485 -12.028 1.418 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.115 -11.806 2.488 1.00 0.00 H new ATOM 0 HG2 MET A 90 -1.173 -9.395 1.053 1.00 0.00 H new ATOM 0 HG3 MET A 90 -2.134 -10.057 2.361 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.136 -9.651 5.497 1.00 0.00 H new ATOM 0 HE2 MET A 90 -1.232 -10.697 4.563 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.520 -11.008 4.551 1.00 0.00 H new ATOM 1344 N TYR A 91 1.337 -9.225 0.366 1.00 0.00 N ATOM 1345 CA TYR A 91 2.400 -8.245 0.554 1.00 0.00 C ATOM 1346 C TYR A 91 1.850 -6.950 1.144 1.00 0.00 C ATOM 1347 O TYR A 91 0.669 -6.861 1.477 1.00 0.00 O ATOM 1348 CB TYR A 91 3.097 -7.955 -0.777 1.00 0.00 C ATOM 1349 CG TYR A 91 2.901 -9.040 -1.812 1.00 0.00 C ATOM 1350 CD1 TYR A 91 3.393 -10.323 -1.603 1.00 0.00 C ATOM 1351 CD2 TYR A 91 2.225 -8.783 -2.998 1.00 0.00 C ATOM 1352 CE1 TYR A 91 3.216 -11.317 -2.546 1.00 0.00 C ATOM 1353 CE2 TYR A 91 2.043 -9.771 -3.945 1.00 0.00 C ATOM 1354 CZ TYR A 91 2.541 -11.037 -3.715 1.00 0.00 C ATOM 1355 OH TYR A 91 2.363 -12.024 -4.657 1.00 0.00 O ATOM 0 H TYR A 91 0.470 -8.840 -0.009 1.00 0.00 H new ATOM 0 HA TYR A 91 3.124 -8.663 1.253 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.723 -7.012 -1.176 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.164 -7.824 -0.598 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.922 -10.547 -0.689 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.835 -7.793 -3.183 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.605 -12.309 -2.368 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.514 -9.554 -4.861 1.00 0.00 H new ATOM 0 HH TYR A 91 1.774 -12.719 -4.295 1.00 0.00 H new ATOM 1365 N GLU A 92 2.716 -5.950 1.271 1.00 0.00 N ATOM 1366 CA GLU A 92 2.317 -4.660 1.822 1.00 0.00 C ATOM 1367 C GLU A 92 2.380 -3.570 0.756 1.00 0.00 C ATOM 1368 O GLU A 92 3.410 -3.379 0.108 1.00 0.00 O ATOM 1369 CB GLU A 92 3.214 -4.286 3.004 1.00 0.00 C ATOM 1370 CG GLU A 92 4.337 -3.330 2.636 1.00 0.00 C ATOM 1371 CD GLU A 92 5.359 -3.959 1.710 1.00 0.00 C ATOM 1372 OE1 GLU A 92 5.745 -5.121 1.955 1.00 0.00 O ATOM 1373 OE2 GLU A 92 5.772 -3.290 0.740 1.00 0.00 O ATOM 0 H GLU A 92 3.698 -6.008 1.000 1.00 0.00 H new ATOM 0 HA GLU A 92 1.287 -4.745 2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.603 -3.832 3.784 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.645 -5.195 3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.915 -2.446 2.158 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.835 -2.993 3.545 1.00 0.00 H new ATOM 1380 N PHE A 93 1.272 -2.858 0.579 1.00 0.00 N ATOM 1381 CA PHE A 93 1.200 -1.788 -0.409 1.00 0.00 C ATOM 1382 C PHE A 93 1.048 -0.430 0.270 1.00 0.00 C ATOM 1383 O PHE A 93 0.477 -0.327 1.356 1.00 0.00 O ATOM 1384 CB PHE A 93 0.030 -2.027 -1.366 1.00 0.00 C ATOM 1385 CG PHE A 93 0.177 -3.272 -2.193 1.00 0.00 C ATOM 1386 CD1 PHE A 93 0.203 -4.520 -1.591 1.00 0.00 C ATOM 1387 CD2 PHE A 93 0.286 -3.195 -3.571 1.00 0.00 C ATOM 1388 CE1 PHE A 93 0.339 -5.667 -2.350 1.00 0.00 C ATOM 1389 CE2 PHE A 93 0.422 -4.339 -4.336 1.00 0.00 C ATOM 1390 CZ PHE A 93 0.447 -5.577 -3.724 1.00 0.00 C ATOM 0 H PHE A 93 0.411 -3.003 1.107 1.00 0.00 H new ATOM 0 HA PHE A 93 2.130 -1.788 -0.977 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -0.893 -2.090 -0.790 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -0.067 -1.168 -2.030 1.00 0.00 H new ATOM 0 HD1 PHE A 93 0.116 -4.597 -0.517 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.265 -2.230 -4.055 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.361 -6.634 -1.869 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.509 -4.265 -5.410 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.551 -6.473 -4.319 1.00 0.00 H new ATOM 1400 N SER A 94 1.564 0.610 -0.378 1.00 0.00 N ATOM 1401 CA SER A 94 1.489 1.961 0.164 1.00 0.00 C ATOM 1402 C SER A 94 1.483 2.996 -0.956 1.00 0.00 C ATOM 1403 O SER A 94 1.704 2.668 -2.122 1.00 0.00 O ATOM 1404 CB SER A 94 2.666 2.221 1.107 1.00 0.00 C ATOM 1405 OG SER A 94 2.311 3.140 2.125 1.00 0.00 O ATOM 0 H SER A 94 2.038 0.542 -1.279 1.00 0.00 H new ATOM 0 HA SER A 94 0.558 2.050 0.723 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.990 1.282 1.557 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.511 2.611 0.540 1.00 0.00 H new ATOM 0 HG SER A 94 1.784 2.680 2.811 1.00 0.00 H new ATOM 1411 N VAL A 95 1.227 4.250 -0.594 1.00 0.00 N ATOM 1412 CA VAL A 95 1.191 5.334 -1.568 1.00 0.00 C ATOM 1413 C VAL A 95 1.782 6.614 -0.986 1.00 0.00 C ATOM 1414 O VAL A 95 1.758 6.825 0.226 1.00 0.00 O ATOM 1415 CB VAL A 95 -0.246 5.616 -2.043 1.00 0.00 C ATOM 1416 CG1 VAL A 95 -0.241 6.576 -3.223 1.00 0.00 C ATOM 1417 CG2 VAL A 95 -0.951 4.317 -2.406 1.00 0.00 C ATOM 0 H VAL A 95 1.042 4.539 0.366 1.00 0.00 H new ATOM 0 HA VAL A 95 1.790 5.013 -2.420 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.794 6.086 -1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.266 6.763 -3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.223 7.516 -2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.323 6.138 -4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.966 4.535 -2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.405 3.818 -3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.988 3.667 -1.532 1.00 0.00 H new ATOM 1427 N MET A 96 2.312 7.465 -1.859 1.00 0.00 N ATOM 1428 CA MET A 96 2.907 8.725 -1.431 1.00 0.00 C ATOM 1429 C MET A 96 2.750 9.794 -2.509 1.00 0.00 C ATOM 1430 O MET A 96 2.104 9.568 -3.532 1.00 0.00 O ATOM 1431 CB MET A 96 4.389 8.529 -1.104 1.00 0.00 C ATOM 1432 CG MET A 96 5.135 7.700 -2.137 1.00 0.00 C ATOM 1433 SD MET A 96 6.925 7.794 -1.942 1.00 0.00 S ATOM 1434 CE MET A 96 7.202 9.544 -2.209 1.00 0.00 C ATOM 0 H MET A 96 2.341 7.305 -2.866 1.00 0.00 H new ATOM 0 HA MET A 96 2.385 9.058 -0.534 1.00 0.00 H new ATOM 0 HB2 MET A 96 4.866 9.505 -1.020 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.477 8.047 -0.131 1.00 0.00 H new ATOM 0 HG2 MET A 96 4.819 6.660 -2.059 1.00 0.00 H new ATOM 0 HG3 MET A 96 4.864 8.042 -3.136 1.00 0.00 H new ATOM 0 HE1 MET A 96 8.176 9.691 -2.676 1.00 0.00 H new ATOM 0 HE2 MET A 96 6.424 9.940 -2.861 1.00 0.00 H new ATOM 0 HE3 MET A 96 7.175 10.067 -1.253 1.00 0.00 H new ATOM 1444 N VAL A 97 3.345 10.959 -2.272 1.00 0.00 N ATOM 1445 CA VAL A 97 3.271 12.062 -3.222 1.00 0.00 C ATOM 1446 C VAL A 97 4.615 12.770 -3.348 1.00 0.00 C ATOM 1447 O VAL A 97 5.372 12.867 -2.382 1.00 0.00 O ATOM 1448 CB VAL A 97 2.200 13.089 -2.809 1.00 0.00 C ATOM 1449 CG1 VAL A 97 2.487 13.629 -1.416 1.00 0.00 C ATOM 1450 CG2 VAL A 97 2.127 14.220 -3.823 1.00 0.00 C ATOM 0 H VAL A 97 3.884 11.163 -1.430 1.00 0.00 H new ATOM 0 HA VAL A 97 2.998 11.631 -4.185 1.00 0.00 H new ATOM 0 HB VAL A 97 1.232 12.589 -2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.720 14.353 -1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.484 12.808 -0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.463 14.114 -1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.365 14.936 -3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.094 14.721 -3.880 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.870 13.815 -4.802 1.00 0.00 H new ATOM 1460 N THR A 98 4.908 13.264 -4.547 1.00 0.00 N ATOM 1461 CA THR A 98 6.162 13.963 -4.801 1.00 0.00 C ATOM 1462 C THR A 98 5.914 15.313 -5.464 1.00 0.00 C ATOM 1463 O THR A 98 5.660 15.389 -6.666 1.00 0.00 O ATOM 1464 CB THR A 98 7.098 13.129 -5.695 1.00 0.00 C ATOM 1465 OG1 THR A 98 7.474 11.923 -5.021 1.00 0.00 O ATOM 1466 CG2 THR A 98 8.345 13.921 -6.060 1.00 0.00 C ATOM 0 H THR A 98 4.293 13.193 -5.358 1.00 0.00 H new ATOM 0 HA THR A 98 6.639 14.119 -3.833 1.00 0.00 H new ATOM 0 HB THR A 98 6.562 12.881 -6.611 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.068 11.398 -5.597 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.991 13.312 -6.692 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.058 14.824 -6.599 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.881 14.196 -5.151 1.00 0.00 H new ATOM 1474 N LYS A 99 5.991 16.378 -4.673 1.00 0.00 N ATOM 1475 CA LYS A 99 5.777 17.727 -5.183 1.00 0.00 C ATOM 1476 C LYS A 99 7.004 18.601 -4.940 1.00 0.00 C ATOM 1477 O LYS A 99 7.796 18.337 -4.036 1.00 0.00 O ATOM 1478 CB LYS A 99 4.550 18.357 -4.520 1.00 0.00 C ATOM 1479 CG LYS A 99 4.112 19.660 -5.165 1.00 0.00 C ATOM 1480 CD LYS A 99 3.204 20.460 -4.245 1.00 0.00 C ATOM 1481 CE LYS A 99 1.751 20.035 -4.389 1.00 0.00 C ATOM 1482 NZ LYS A 99 0.825 20.988 -3.717 1.00 0.00 N ATOM 0 H LYS A 99 6.200 16.333 -3.676 1.00 0.00 H new ATOM 0 HA LYS A 99 5.607 17.660 -6.258 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.723 17.647 -4.556 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.769 18.538 -3.468 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.990 20.255 -5.419 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.590 19.448 -6.098 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.523 20.326 -3.211 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.298 21.522 -4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.496 19.966 -5.446 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.620 19.040 -3.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.155 20.663 -3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.051 21.035 -2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 0.931 21.932 -4.140 1.00 0.00 H new ATOM 1496 N ASN A 100 7.153 19.642 -5.752 1.00 0.00 N ATOM 1497 CA ASN A 100 8.283 20.556 -5.624 1.00 0.00 C ATOM 1498 C ASN A 100 9.605 19.810 -5.781 1.00 0.00 C ATOM 1499 O ASN A 100 10.618 20.194 -5.195 1.00 0.00 O ATOM 1500 CB ASN A 100 8.242 21.265 -4.269 1.00 0.00 C ATOM 1501 CG ASN A 100 7.235 22.399 -4.240 1.00 0.00 C ATOM 1502 OD1 ASN A 100 6.038 22.177 -4.062 1.00 0.00 O ATOM 1503 ND2 ASN A 100 7.719 23.623 -4.417 1.00 0.00 N ATOM 0 H ASN A 100 6.506 19.874 -6.506 1.00 0.00 H new ATOM 0 HA ASN A 100 8.209 21.300 -6.417 1.00 0.00 H new ATOM 0 HB2 ASN A 100 7.994 20.543 -3.491 1.00 0.00 H new ATOM 0 HB3 ASN A 100 9.232 21.656 -4.037 1.00 0.00 H new ATOM 0 HD21 ASN A 100 7.090 24.426 -4.409 1.00 0.00 H new ATOM 0 HD22 ASN A 100 8.719 23.760 -4.561 1.00 0.00 H new ATOM 1510 N ARG A 101 9.587 18.745 -6.574 1.00 0.00 N ATOM 1511 CA ARG A 101 10.784 17.945 -6.807 1.00 0.00 C ATOM 1512 C ARG A 101 11.256 17.284 -5.516 1.00 0.00 C ATOM 1513 O ARG A 101 12.436 16.970 -5.363 1.00 0.00 O ATOM 1514 CB ARG A 101 11.900 18.817 -7.385 1.00 0.00 C ATOM 1515 CG ARG A 101 11.906 18.873 -8.903 1.00 0.00 C ATOM 1516 CD ARG A 101 12.418 17.575 -9.507 1.00 0.00 C ATOM 1517 NE ARG A 101 11.378 16.552 -9.568 1.00 0.00 N ATOM 1518 CZ ARG A 101 10.296 16.649 -10.334 1.00 0.00 C ATOM 1519 NH1 ARG A 101 10.114 17.717 -11.098 1.00 0.00 N ATOM 1520 NH2 ARG A 101 9.394 15.676 -10.335 1.00 0.00 N ATOM 0 H ARG A 101 8.757 18.415 -7.067 1.00 0.00 H new ATOM 0 HA ARG A 101 10.535 17.163 -7.524 1.00 0.00 H new ATOM 0 HB2 ARG A 101 11.798 19.829 -6.993 1.00 0.00 H new ATOM 0 HB3 ARG A 101 12.862 18.437 -7.040 1.00 0.00 H new ATOM 0 HG2 ARG A 101 10.897 19.071 -9.265 1.00 0.00 H new ATOM 0 HG3 ARG A 101 12.532 19.702 -9.235 1.00 0.00 H new ATOM 0 HD2 ARG A 101 12.797 17.767 -10.511 1.00 0.00 H new ATOM 0 HD3 ARG A 101 13.256 17.206 -8.915 1.00 0.00 H new ATOM 0 HE ARG A 101 11.488 15.718 -8.992 1.00 0.00 H new ATOM 0 HH11 ARG A 101 10.805 18.467 -11.099 1.00 0.00 H new ATOM 0 HH12 ARG A 101 9.283 17.789 -11.685 1.00 0.00 H new ATOM 0 HH21 ARG A 101 9.531 14.853 -9.748 1.00 0.00 H new ATOM 0 HH22 ARG A 101 8.564 15.751 -10.923 1.00 0.00 H new ATOM 1534 N ARG A 102 10.326 17.076 -4.590 1.00 0.00 N ATOM 1535 CA ARG A 102 10.647 16.453 -3.311 1.00 0.00 C ATOM 1536 C ARG A 102 9.570 15.450 -2.909 1.00 0.00 C ATOM 1537 O ARG A 102 8.395 15.622 -3.233 1.00 0.00 O ATOM 1538 CB ARG A 102 10.798 17.520 -2.224 1.00 0.00 C ATOM 1539 CG ARG A 102 9.515 17.792 -1.456 1.00 0.00 C ATOM 1540 CD ARG A 102 9.764 18.691 -0.256 1.00 0.00 C ATOM 1541 NE ARG A 102 9.958 20.085 -0.647 1.00 0.00 N ATOM 1542 CZ ARG A 102 10.325 21.041 0.199 1.00 0.00 C ATOM 1543 NH1 ARG A 102 10.538 20.756 1.476 1.00 0.00 N ATOM 1544 NH2 ARG A 102 10.480 22.287 -0.233 1.00 0.00 N ATOM 0 H ARG A 102 9.344 17.330 -4.701 1.00 0.00 H new ATOM 0 HA ARG A 102 11.591 15.920 -3.421 1.00 0.00 H new ATOM 0 HB2 ARG A 102 11.571 17.206 -1.523 1.00 0.00 H new ATOM 0 HB3 ARG A 102 11.141 18.448 -2.682 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.786 18.260 -2.118 1.00 0.00 H new ATOM 0 HG3 ARG A 102 9.083 16.849 -1.122 1.00 0.00 H new ATOM 0 HD2 ARG A 102 8.920 18.621 0.430 1.00 0.00 H new ATOM 0 HD3 ARG A 102 10.644 18.340 0.283 1.00 0.00 H new ATOM 0 HE ARG A 102 9.803 20.338 -1.623 1.00 0.00 H new ATOM 0 HH11 ARG A 102 10.420 19.800 1.812 1.00 0.00 H new ATOM 0 HH12 ARG A 102 10.820 21.493 2.123 1.00 0.00 H new ATOM 0 HH21 ARG A 102 10.317 22.510 -1.215 1.00 0.00 H new ATOM 0 HH22 ARG A 102 10.762 23.021 0.417 1.00 0.00 H new ATOM 1558 N SER A 103 9.979 14.403 -2.200 1.00 0.00 N ATOM 1559 CA SER A 103 9.050 13.369 -1.757 1.00 0.00 C ATOM 1560 C SER A 103 8.615 13.613 -0.315 1.00 0.00 C ATOM 1561 O SER A 103 9.371 14.156 0.490 1.00 0.00 O ATOM 1562 CB SER A 103 9.695 11.987 -1.881 1.00 0.00 C ATOM 1563 OG SER A 103 11.039 12.010 -1.434 1.00 0.00 O ATOM 0 H SER A 103 10.947 14.248 -1.920 1.00 0.00 H new ATOM 0 HA SER A 103 8.168 13.408 -2.396 1.00 0.00 H new ATOM 0 HB2 SER A 103 9.127 11.263 -1.297 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.659 11.657 -2.919 1.00 0.00 H new ATOM 0 HG SER A 103 11.428 11.115 -1.522 1.00 0.00 H new ATOM 1569 N SER A 104 7.390 13.206 0.003 1.00 0.00 N ATOM 1570 CA SER A 104 6.851 13.383 1.346 1.00 0.00 C ATOM 1571 C SER A 104 7.025 12.112 2.173 1.00 0.00 C ATOM 1572 O SER A 104 7.975 11.985 2.946 1.00 0.00 O ATOM 1573 CB SER A 104 5.370 13.762 1.278 1.00 0.00 C ATOM 1574 OG SER A 104 4.618 12.764 0.610 1.00 0.00 O ATOM 0 H SER A 104 6.753 12.752 -0.651 1.00 0.00 H new ATOM 0 HA SER A 104 7.403 14.189 1.829 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.980 13.901 2.286 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.259 14.714 0.759 1.00 0.00 H new ATOM 0 HG SER A 104 4.813 12.796 -0.350 1.00 0.00 H new ATOM 1580 N THR A 105 6.100 11.172 2.004 1.00 0.00 N ATOM 1581 CA THR A 105 6.149 9.912 2.734 1.00 0.00 C ATOM 1582 C THR A 105 5.030 8.976 2.290 1.00 0.00 C ATOM 1583 O THR A 105 4.133 9.374 1.548 1.00 0.00 O ATOM 1584 CB THR A 105 6.041 10.138 4.254 1.00 0.00 C ATOM 1585 OG1 THR A 105 6.354 8.929 4.953 1.00 0.00 O ATOM 1586 CG2 THR A 105 4.643 10.602 4.634 1.00 0.00 C ATOM 0 H THR A 105 5.308 11.260 1.368 1.00 0.00 H new ATOM 0 HA THR A 105 7.113 9.454 2.510 1.00 0.00 H new ATOM 0 HB THR A 105 6.753 10.914 4.535 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.285 9.082 5.918 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.591 10.755 5.712 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.419 11.539 4.123 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.916 9.845 4.339 1.00 0.00 H new ATOM 1594 N TRP A 106 5.090 7.731 2.750 1.00 0.00 N ATOM 1595 CA TRP A 106 4.080 6.739 2.401 1.00 0.00 C ATOM 1596 C TRP A 106 2.972 6.697 3.447 1.00 0.00 C ATOM 1597 O TRP A 106 3.234 6.799 4.646 1.00 0.00 O ATOM 1598 CB TRP A 106 4.721 5.356 2.263 1.00 0.00 C ATOM 1599 CG TRP A 106 5.823 5.311 1.248 1.00 0.00 C ATOM 1600 CD1 TRP A 106 7.144 5.586 1.460 1.00 0.00 C ATOM 1601 CD2 TRP A 106 5.698 4.971 -0.137 1.00 0.00 C ATOM 1602 NE1 TRP A 106 7.848 5.438 0.289 1.00 0.00 N ATOM 1603 CE2 TRP A 106 6.984 5.061 -0.705 1.00 0.00 C ATOM 1604 CE3 TRP A 106 4.626 4.599 -0.952 1.00 0.00 C ATOM 1605 CZ2 TRP A 106 7.224 4.792 -2.050 1.00 0.00 C ATOM 1606 CZ3 TRP A 106 4.866 4.333 -2.287 1.00 0.00 C ATOM 1607 CH2 TRP A 106 6.156 4.430 -2.825 1.00 0.00 C ATOM 0 H TRP A 106 5.827 7.385 3.365 1.00 0.00 H new ATOM 0 HA TRP A 106 3.640 7.026 1.446 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.116 5.048 3.231 1.00 0.00 H new ATOM 0 HB3 TRP A 106 3.953 4.633 1.987 1.00 0.00 H new ATOM 0 HD1 TRP A 106 7.572 5.877 2.408 1.00 0.00 H new ATOM 0 HE1 TRP A 106 8.851 5.585 0.178 1.00 0.00 H new ATOM 0 HE3 TRP A 106 3.628 4.521 -0.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 8.218 4.866 -2.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 4.045 4.045 -2.927 1.00 0.00 H new ATOM 0 HH2 TRP A 106 6.310 4.215 -3.872 1.00 0.00 H new ATOM 1618 N SER A 107 1.734 6.547 2.987 1.00 0.00 N ATOM 1619 CA SER A 107 0.586 6.495 3.884 1.00 0.00 C ATOM 1620 C SER A 107 0.452 5.113 4.516 1.00 0.00 C ATOM 1621 O SER A 107 1.271 4.227 4.276 1.00 0.00 O ATOM 1622 CB SER A 107 -0.696 6.849 3.127 1.00 0.00 C ATOM 1623 OG SER A 107 -0.949 5.917 2.090 1.00 0.00 O ATOM 0 H SER A 107 1.501 6.459 1.998 1.00 0.00 H new ATOM 0 HA SER A 107 0.744 7.225 4.678 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.538 6.865 3.819 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.609 7.851 2.707 1.00 0.00 H new ATOM 0 HG SER A 107 -0.306 6.054 1.363 1.00 0.00 H new ATOM 1629 N MET A 108 -0.587 4.939 5.327 1.00 0.00 N ATOM 1630 CA MET A 108 -0.830 3.664 5.993 1.00 0.00 C ATOM 1631 C MET A 108 -0.740 2.507 5.003 1.00 0.00 C ATOM 1632 O MET A 108 -1.462 2.471 4.007 1.00 0.00 O ATOM 1633 CB MET A 108 -2.204 3.670 6.665 1.00 0.00 C ATOM 1634 CG MET A 108 -3.323 4.156 5.758 1.00 0.00 C ATOM 1635 SD MET A 108 -4.950 3.609 6.308 1.00 0.00 S ATOM 1636 CE MET A 108 -4.861 1.858 5.943 1.00 0.00 C ATOM 0 H MET A 108 -1.273 5.664 5.539 1.00 0.00 H new ATOM 0 HA MET A 108 -0.062 3.528 6.754 1.00 0.00 H new ATOM 0 HB2 MET A 108 -2.437 2.661 7.006 1.00 0.00 H new ATOM 0 HB3 MET A 108 -2.163 4.305 7.550 1.00 0.00 H new ATOM 0 HG2 MET A 108 -3.305 5.245 5.717 1.00 0.00 H new ATOM 0 HG3 MET A 108 -3.146 3.796 4.745 1.00 0.00 H new ATOM 0 HE1 MET A 108 -5.869 1.450 5.868 1.00 0.00 H new ATOM 0 HE2 MET A 108 -4.338 1.709 4.998 1.00 0.00 H new ATOM 0 HE3 MET A 108 -4.321 1.347 6.740 1.00 0.00 H new ATOM 1646 N THR A 109 0.152 1.562 5.284 1.00 0.00 N ATOM 1647 CA THR A 109 0.338 0.405 4.418 1.00 0.00 C ATOM 1648 C THR A 109 -0.809 -0.587 4.573 1.00 0.00 C ATOM 1649 O THR A 109 -1.310 -0.804 5.676 1.00 0.00 O ATOM 1650 CB THR A 109 1.667 -0.314 4.717 1.00 0.00 C ATOM 1651 OG1 THR A 109 2.770 0.537 4.384 1.00 0.00 O ATOM 1652 CG2 THR A 109 1.768 -1.614 3.934 1.00 0.00 C ATOM 0 H THR A 109 0.757 1.576 6.105 1.00 0.00 H new ATOM 0 HA THR A 109 0.358 0.777 3.394 1.00 0.00 H new ATOM 0 HB THR A 109 1.697 -0.547 5.781 1.00 0.00 H new ATOM 0 HG1 THR A 109 3.611 0.073 4.579 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.715 -2.103 4.162 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.944 -2.271 4.212 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.718 -1.401 2.866 1.00 0.00 H new ATOM 1660 N ALA A 110 -1.221 -1.187 3.461 1.00 0.00 N ATOM 1661 CA ALA A 110 -2.307 -2.159 3.474 1.00 0.00 C ATOM 1662 C ALA A 110 -1.793 -3.562 3.172 1.00 0.00 C ATOM 1663 O ALA A 110 -0.636 -3.741 2.788 1.00 0.00 O ATOM 1664 CB ALA A 110 -3.382 -1.762 2.474 1.00 0.00 C ATOM 0 H ALA A 110 -0.819 -1.017 2.539 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.741 -2.168 4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.187 -2.497 2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.779 -0.781 2.737 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.952 -1.723 1.473 1.00 0.00 H new ATOM 1670 N HIS A 111 -2.658 -4.556 3.348 1.00 0.00 N ATOM 1671 CA HIS A 111 -2.290 -5.944 3.094 1.00 0.00 C ATOM 1672 C HIS A 111 -3.386 -6.662 2.311 1.00 0.00 C ATOM 1673 O HIS A 111 -4.570 -6.531 2.619 1.00 0.00 O ATOM 1674 CB HIS A 111 -2.028 -6.674 4.411 1.00 0.00 C ATOM 1675 CG HIS A 111 -0.747 -6.270 5.075 1.00 0.00 C ATOM 1676 ND1 HIS A 111 0.471 -6.281 4.428 1.00 0.00 N ATOM 1677 CD2 HIS A 111 -0.499 -5.841 6.334 1.00 0.00 C ATOM 1678 CE1 HIS A 111 1.413 -5.878 5.262 1.00 0.00 C ATOM 1679 NE2 HIS A 111 0.851 -5.604 6.425 1.00 0.00 N ATOM 0 H HIS A 111 -3.619 -4.426 3.665 1.00 0.00 H new ATOM 0 HA HIS A 111 -1.378 -5.948 2.497 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -2.857 -6.485 5.093 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.008 -7.748 4.224 1.00 0.00 H new ATOM 0 HD1 HIS A 111 0.621 -6.557 3.458 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.227 -5.709 7.121 1.00 0.00 H new ATOM 0 HE1 HIS A 111 2.464 -5.788 5.032 1.00 0.00 H new ATOM 1688 N ALA A 112 -2.982 -7.419 1.296 1.00 0.00 N ATOM 1689 CA ALA A 112 -3.929 -8.158 0.470 1.00 0.00 C ATOM 1690 C ALA A 112 -3.284 -9.409 -0.118 1.00 0.00 C ATOM 1691 O ALA A 112 -2.280 -9.329 -0.826 1.00 0.00 O ATOM 1692 CB ALA A 112 -4.468 -7.268 -0.640 1.00 0.00 C ATOM 0 H ALA A 112 -2.005 -7.537 1.026 1.00 0.00 H new ATOM 0 HA ALA A 112 -4.759 -8.472 1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.174 -7.833 -1.249 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.974 -6.407 -0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.643 -6.926 -1.265 1.00 0.00 H new ATOM 1698 N THR A 113 -3.868 -10.565 0.180 1.00 0.00 N ATOM 1699 CA THR A 113 -3.350 -11.833 -0.318 1.00 0.00 C ATOM 1700 C THR A 113 -3.928 -12.163 -1.690 1.00 0.00 C ATOM 1701 O THR A 113 -5.052 -11.777 -2.011 1.00 0.00 O ATOM 1702 CB THR A 113 -3.667 -12.989 0.651 1.00 0.00 C ATOM 1703 OG1 THR A 113 -3.663 -12.511 2.001 1.00 0.00 O ATOM 1704 CG2 THR A 113 -2.652 -14.112 0.503 1.00 0.00 C ATOM 0 H THR A 113 -4.700 -10.649 0.764 1.00 0.00 H new ATOM 0 HA THR A 113 -2.269 -11.722 -0.399 1.00 0.00 H new ATOM 0 HB THR A 113 -4.655 -13.379 0.407 1.00 0.00 H new ATOM 0 HG1 THR A 113 -3.867 -13.251 2.611 1.00 0.00 H new ATOM 0 HG21 THR A 113 -2.896 -14.917 1.197 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.677 -14.493 -0.518 1.00 0.00 H new ATOM 0 HG23 THR A 113 -1.654 -13.732 0.724 1.00 0.00 H new ATOM 1712 N THR A 114 -3.152 -12.880 -2.497 1.00 0.00 N ATOM 1713 CA THR A 114 -3.587 -13.262 -3.834 1.00 0.00 C ATOM 1714 C THR A 114 -4.251 -14.634 -3.827 1.00 0.00 C ATOM 1715 O THR A 114 -3.878 -15.510 -3.047 1.00 0.00 O ATOM 1716 CB THR A 114 -2.407 -13.281 -4.824 1.00 0.00 C ATOM 1717 OG1 THR A 114 -1.328 -14.054 -4.286 1.00 0.00 O ATOM 1718 CG2 THR A 114 -1.926 -11.868 -5.121 1.00 0.00 C ATOM 0 H THR A 114 -2.219 -13.208 -2.247 1.00 0.00 H new ATOM 0 HA THR A 114 -4.311 -12.513 -4.156 1.00 0.00 H new ATOM 0 HB THR A 114 -2.750 -13.734 -5.754 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.519 -13.900 -4.817 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.092 -11.907 -5.822 1.00 0.00 H new ATOM 0 HG22 THR A 114 -2.741 -11.291 -5.558 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.600 -11.393 -4.196 1.00 0.00 H new ATOM 1726 N TYR A 115 -5.236 -14.813 -4.699 1.00 0.00 N ATOM 1727 CA TYR A 115 -5.954 -16.079 -4.791 1.00 0.00 C ATOM 1728 C TYR A 115 -4.994 -17.230 -5.078 1.00 0.00 C ATOM 1729 O TYR A 115 -4.068 -17.095 -5.877 1.00 0.00 O ATOM 1730 CB TYR A 115 -7.021 -16.006 -5.884 1.00 0.00 C ATOM 1731 CG TYR A 115 -8.044 -14.915 -5.660 1.00 0.00 C ATOM 1732 CD1 TYR A 115 -9.196 -15.157 -4.921 1.00 0.00 C ATOM 1733 CD2 TYR A 115 -7.858 -13.643 -6.186 1.00 0.00 C ATOM 1734 CE1 TYR A 115 -10.133 -14.163 -4.714 1.00 0.00 C ATOM 1735 CE2 TYR A 115 -8.790 -12.643 -5.984 1.00 0.00 C ATOM 1736 CZ TYR A 115 -9.926 -12.908 -5.247 1.00 0.00 C ATOM 1737 OH TYR A 115 -10.856 -11.916 -5.042 1.00 0.00 O ATOM 0 H TYR A 115 -5.556 -14.098 -5.352 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.438 -16.264 -3.832 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.534 -15.844 -6.845 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.533 -16.966 -5.944 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -9.361 -16.138 -4.502 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.970 -13.432 -6.763 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -11.023 -14.368 -4.138 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.630 -11.660 -6.401 1.00 0.00 H new ATOM 0 HH TYR A 115 -10.478 -11.053 -5.310 1.00 0.00 H new ATOM 1747 N GLU A 116 -5.224 -18.362 -4.420 1.00 0.00 N ATOM 1748 CA GLU A 116 -4.380 -19.537 -4.603 1.00 0.00 C ATOM 1749 C GLU A 116 -4.402 -20.000 -6.057 1.00 0.00 C ATOM 1750 O GLU A 116 -5.391 -20.563 -6.526 1.00 0.00 O ATOM 1751 CB GLU A 116 -4.842 -20.672 -3.688 1.00 0.00 C ATOM 1752 CG GLU A 116 -3.724 -21.613 -3.273 1.00 0.00 C ATOM 1753 CD GLU A 116 -4.226 -22.802 -2.478 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -5.143 -22.617 -1.650 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -3.704 -23.918 -2.684 1.00 0.00 O ATOM 0 H GLU A 116 -5.987 -18.490 -3.756 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.358 -19.263 -4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.296 -20.245 -2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.617 -21.245 -4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.205 -21.969 -4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -2.995 -21.064 -2.677 1.00 0.00 H new ATOM 1762 N ALA A 117 -3.304 -19.758 -6.766 1.00 0.00 N ATOM 1763 CA ALA A 117 -3.195 -20.151 -8.165 1.00 0.00 C ATOM 1764 C ALA A 117 -3.862 -21.500 -8.410 1.00 0.00 C ATOM 1765 O ALA A 117 -4.003 -22.309 -7.492 1.00 0.00 O ATOM 1766 CB ALA A 117 -1.734 -20.197 -8.589 1.00 0.00 C ATOM 0 H ALA A 117 -2.477 -19.291 -6.394 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.713 -19.405 -8.767 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.668 -20.492 -9.636 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.287 -19.211 -8.461 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.199 -20.921 -7.974 1.00 0.00 H new