USER MOD reduce.3.24.130724 H: found=0, std=0, add=894, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 893 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 131 ASN : amide:sc= -0.152 X(o=-6.7,f=-6.6) USER MOD Set 1.2: A 133 GLN : amide:sc= -6.58! K(o=-6.7!,f=-4.3) USER MOD Set 2.1: A 79 HIS : no HE2:sc= -6.14! C(o=-7.2!,f=-9.7!) USER MOD Set 2.2: A 83 MET CE :methyl -127:sc= -0.0622 (180deg=-0.273) USER MOD Set 2.3: A 85 THR OG1 : rot 120:sc= -0.219 USER MOD Set 2.4: A 125 MET CE :methyl 180:sc= -0.75 (180deg=-0.441) USER MOD Set 3.1: A 45 THR OG1 : rot 101:sc= 1.03 USER MOD Set 3.2: A 110 THR OG1 : rot 154:sc= 0.201 USER MOD Set 4.1: A 34 HIS : no HE2:sc= -3.33 K(o=-6.4,f=-9.1!) USER MOD Set 4.2: A 122 HIS : no HE2:sc= -3.04 K(o=-6.4,f=-7.6!) USER MOD Set 5.1: A 21 THR OG1 : rot 180:sc= 0.373 USER MOD Set 5.2: A 23 ASN : amide:sc= -0.389 K(o=-0.016,f=-1.2!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.382 USER MOD Single : A 52 ASN : amide:sc= -4.56! C(o=-4.6!,f=-2.1!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0382 USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= -0.721 (180deg=-0.838) USER MOD Single : A 60 ASN : amide:sc= -3.57! K(o=-3.6!,f=-0.28) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -5.29! C(o=-5.3!,f=-4.8!) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -3.09! C(o=-3.1!,f=-7.2!) USER MOD Single : A 78 GLN : amide:sc= -0.0612 X(o=-0.061,f=-0.061) USER MOD Single : A 84 HIS : no HD1:sc= -2.08! C(o=-2.1!,f=-1.6!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.06) USER MOD Single : A 91 SER OG : rot -33:sc= 0.1 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot -45:sc= 0.00122 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 99 SER OG : rot -130:sc= -0.87 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0239 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -8.31! K(o=-8.3!,f=-1.7) USER MOD Single : A 105 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.014) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 67:sc= -0.26! USER MOD Single : A 120 HIS : no HE2:sc= -0.655 K(o=-0.66,f=-1.2) USER MOD Single : A 129 ASN : amide:sc= -0.493 X(o=-0.49,f=-0.49) USER MOD Single : A 134 ASN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 137 SER OG : rot -43:sc= 0.346 USER MOD Single : A 143 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 271 N PRO A 18 3.435 -11.699 -1.195 1.00 0.00 N ATOM 272 CA PRO A 18 4.572 -11.570 -0.252 1.00 0.00 C ATOM 273 C PRO A 18 4.203 -11.936 1.191 1.00 0.00 C ATOM 274 O PRO A 18 5.040 -12.437 1.948 1.00 0.00 O ATOM 275 CB PRO A 18 4.933 -10.085 -0.323 1.00 0.00 C ATOM 276 CG PRO A 18 4.410 -9.613 -1.634 1.00 0.00 C ATOM 277 CD PRO A 18 3.179 -10.426 -1.908 1.00 0.00 C ATOM 0 HA PRO A 18 5.382 -12.247 -0.523 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.483 -9.532 0.501 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.011 -9.939 -0.255 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.175 -8.549 -1.600 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.151 -9.750 -2.421 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.281 -9.932 -1.536 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.035 -10.587 -2.976 1.00 0.00 H new ATOM 285 N LEU A 19 2.938 -11.686 1.550 1.00 0.00 N ATOM 286 CA LEU A 19 2.420 -11.968 2.870 1.00 0.00 C ATOM 287 C LEU A 19 1.092 -12.670 2.773 1.00 0.00 C ATOM 288 O LEU A 19 0.627 -13.065 1.699 1.00 0.00 O ATOM 289 CB LEU A 19 2.211 -10.678 3.684 1.00 0.00 C ATOM 290 CG LEU A 19 2.984 -10.501 5.002 1.00 0.00 C ATOM 291 CD1 LEU A 19 2.461 -11.450 6.080 1.00 0.00 C ATOM 292 CD2 LEU A 19 4.480 -10.698 4.813 1.00 0.00 C ATOM 0 H LEU A 19 2.249 -11.279 0.918 1.00 0.00 H new ATOM 0 HA LEU A 19 3.155 -12.599 3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.462 -9.836 3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.148 -10.600 3.912 1.00 0.00 H new ATOM 0 HG LEU A 19 2.819 -9.474 5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.026 -11.302 7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.407 -11.245 6.265 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.577 -12.481 5.745 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.988 -10.564 5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.670 -11.704 4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.856 -9.967 4.097 1.00 0.00 H new ATOM 304 N ASP A 20 0.512 -12.797 3.932 1.00 0.00 N ATOM 305 CA ASP A 20 -0.789 -13.378 4.123 1.00 0.00 C ATOM 306 C ASP A 20 -1.621 -12.440 4.968 1.00 0.00 C ATOM 307 O ASP A 20 -2.853 -12.427 4.894 1.00 0.00 O ATOM 308 CB ASP A 20 -0.684 -14.718 4.820 1.00 0.00 C ATOM 309 CG ASP A 20 -1.191 -15.866 3.971 1.00 0.00 C ATOM 310 OD1 ASP A 20 -2.349 -16.289 4.174 1.00 0.00 O ATOM 311 OD2 ASP A 20 -0.430 -16.342 3.103 1.00 0.00 O ATOM 0 H ASP A 20 0.946 -12.488 4.802 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.255 -13.531 3.150 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.357 -14.902 5.087 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.251 -14.683 5.751 1.00 0.00 H new ATOM 316 N THR A 21 -0.902 -11.643 5.765 1.00 0.00 N ATOM 317 CA THR A 21 -1.484 -10.695 6.690 1.00 0.00 C ATOM 318 C THR A 21 -0.410 -9.751 7.273 1.00 0.00 C ATOM 319 O THR A 21 0.701 -9.652 6.766 1.00 0.00 O ATOM 320 CB THR A 21 -2.284 -11.435 7.809 1.00 0.00 C ATOM 321 OG1 THR A 21 -3.122 -10.512 8.514 1.00 0.00 O ATOM 322 CG2 THR A 21 -1.379 -12.169 8.804 1.00 0.00 C ATOM 0 H THR A 21 0.118 -11.647 5.777 1.00 0.00 H new ATOM 0 HA THR A 21 -2.190 -10.071 6.142 1.00 0.00 H new ATOM 0 HB THR A 21 -2.893 -12.187 7.308 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.619 -10.988 9.211 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.992 -12.664 9.557 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.784 -12.913 8.274 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.716 -11.453 9.289 1.00 0.00 H new ATOM 330 N GLY A 22 -0.810 -9.024 8.294 1.00 0.00 N ATOM 331 CA GLY A 22 0.067 -8.123 9.028 1.00 0.00 C ATOM 332 C GLY A 22 -0.671 -7.438 10.160 1.00 0.00 C ATOM 333 O GLY A 22 -1.509 -6.568 9.918 1.00 0.00 O ATOM 0 H GLY A 22 -1.767 -9.039 8.647 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.913 -8.681 9.428 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.472 -7.373 8.349 1.00 0.00 H new ATOM 337 N ASN A 23 -0.320 -7.796 11.408 1.00 0.00 N ATOM 338 CA ASN A 23 -0.986 -7.246 12.590 1.00 0.00 C ATOM 339 C ASN A 23 -0.094 -7.200 13.801 1.00 0.00 C ATOM 340 O ASN A 23 0.464 -8.211 14.238 1.00 0.00 O ATOM 341 CB ASN A 23 -2.278 -8.030 12.910 1.00 0.00 C ATOM 342 CG ASN A 23 -2.107 -9.539 12.786 1.00 0.00 C ATOM 343 OD1 ASN A 23 -1.936 -10.243 13.782 1.00 0.00 O ATOM 344 ND2 ASN A 23 -2.136 -10.033 11.552 1.00 0.00 N ATOM 0 H ASN A 23 0.422 -8.464 11.618 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.241 -6.216 12.343 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.601 -7.789 13.923 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.070 -7.703 12.237 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.014 -11.034 11.400 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.281 -9.411 10.757 1.00 0.00 H new ATOM 351 N ILE A 24 -0.002 -5.991 14.342 1.00 0.00 N ATOM 352 CA ILE A 24 0.779 -5.727 15.539 1.00 0.00 C ATOM 353 C ILE A 24 -0.173 -5.600 16.719 1.00 0.00 C ATOM 354 O ILE A 24 -0.224 -4.590 17.434 1.00 0.00 O ATOM 355 CB ILE A 24 1.651 -4.457 15.440 1.00 0.00 C ATOM 356 CG1 ILE A 24 1.959 -4.063 13.984 1.00 0.00 C ATOM 357 CG2 ILE A 24 2.946 -4.626 16.228 1.00 0.00 C ATOM 358 CD1 ILE A 24 0.797 -3.401 13.281 1.00 0.00 C ATOM 0 H ILE A 24 -0.468 -5.167 13.961 1.00 0.00 H new ATOM 0 HA ILE A 24 1.468 -6.562 15.668 1.00 0.00 H new ATOM 0 HB ILE A 24 1.071 -3.645 15.878 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.814 -3.387 13.972 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.250 -4.954 13.428 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.544 -3.719 16.144 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.712 -4.811 17.277 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.508 -5.470 15.828 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.084 -3.150 12.260 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.053 -4.083 13.262 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.520 -2.491 13.814 1.00 0.00 H new ATOM 370 N THR A 25 -0.892 -6.672 16.900 1.00 0.00 N ATOM 371 CA THR A 25 -1.880 -6.816 17.972 1.00 0.00 C ATOM 372 C THR A 25 -1.313 -7.643 19.128 1.00 0.00 C ATOM 373 O THR A 25 -1.697 -7.457 20.287 1.00 0.00 O ATOM 374 CB THR A 25 -3.193 -7.458 17.433 1.00 0.00 C ATOM 375 OG1 THR A 25 -4.121 -7.692 18.500 1.00 0.00 O ATOM 376 CG2 THR A 25 -2.938 -8.767 16.677 1.00 0.00 C ATOM 0 H THR A 25 -0.818 -7.496 16.303 1.00 0.00 H new ATOM 0 HA THR A 25 -2.116 -5.820 18.348 1.00 0.00 H new ATOM 0 HB THR A 25 -3.620 -6.744 16.728 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.939 -8.094 18.140 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.885 -9.173 16.323 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.285 -8.574 15.826 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.462 -9.486 17.344 1.00 0.00 H new ATOM 384 N THR A 26 -0.391 -8.539 18.785 1.00 0.00 N ATOM 385 CA THR A 26 0.258 -9.408 19.767 1.00 0.00 C ATOM 386 C THR A 26 1.754 -9.099 19.847 1.00 0.00 C ATOM 387 O THR A 26 2.246 -8.605 20.867 1.00 0.00 O ATOM 388 CB THR A 26 0.027 -10.911 19.436 1.00 0.00 C ATOM 389 OG1 THR A 26 -1.310 -11.111 18.959 1.00 0.00 O ATOM 390 CG2 THR A 26 0.254 -11.795 20.660 1.00 0.00 C ATOM 0 H THR A 26 -0.074 -8.684 17.827 1.00 0.00 H new ATOM 0 HA THR A 26 -0.193 -9.209 20.739 1.00 0.00 H new ATOM 0 HB THR A 26 0.745 -11.191 18.665 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.445 -12.059 18.752 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.084 -12.838 20.392 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.278 -11.673 21.012 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.438 -11.506 21.451 1.00 0.00 H new ATOM 398 N GLY A 27 2.446 -9.391 18.758 1.00 0.00 N ATOM 399 CA GLY A 27 3.882 -9.158 18.665 1.00 0.00 C ATOM 400 C GLY A 27 4.395 -9.330 17.251 1.00 0.00 C ATOM 401 O GLY A 27 4.252 -10.408 16.668 1.00 0.00 O ATOM 0 H GLY A 27 2.033 -9.794 17.917 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.109 -8.150 19.013 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.405 -9.849 19.327 1.00 0.00 H new ATOM 405 N PHE A 28 5.019 -8.273 16.704 1.00 0.00 N ATOM 406 CA PHE A 28 5.543 -8.292 15.339 1.00 0.00 C ATOM 407 C PHE A 28 6.765 -9.176 15.172 1.00 0.00 C ATOM 408 O PHE A 28 7.448 -9.513 16.142 1.00 0.00 O ATOM 409 CB PHE A 28 5.796 -6.877 14.815 1.00 0.00 C ATOM 410 CG PHE A 28 5.206 -6.656 13.442 1.00 0.00 C ATOM 411 CD1 PHE A 28 6.030 -6.419 12.359 1.00 0.00 C ATOM 412 CD2 PHE A 28 3.831 -6.707 13.229 1.00 0.00 C ATOM 413 CE1 PHE A 28 5.509 -6.233 11.094 1.00 0.00 C ATOM 414 CE2 PHE A 28 3.305 -6.520 11.965 1.00 0.00 C ATOM 415 CZ PHE A 28 4.145 -6.283 10.898 1.00 0.00 C ATOM 0 H PHE A 28 5.171 -7.392 17.195 1.00 0.00 H new ATOM 0 HA PHE A 28 4.763 -8.744 14.726 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.371 -6.154 15.511 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.870 -6.692 14.780 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.099 -6.379 12.504 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.168 -6.895 14.061 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.169 -6.049 10.259 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.236 -6.559 11.813 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.735 -6.137 9.910 1.00 0.00 H new ATOM 425 N ASN A 29 6.970 -9.589 13.913 1.00 0.00 N ATOM 426 CA ASN A 29 8.037 -10.486 13.486 1.00 0.00 C ATOM 427 C ASN A 29 9.468 -10.006 13.780 1.00 0.00 C ATOM 428 O ASN A 29 10.413 -10.321 13.042 1.00 0.00 O ATOM 429 CB ASN A 29 7.860 -10.744 11.997 1.00 0.00 C ATOM 430 CG ASN A 29 6.696 -11.655 11.690 1.00 0.00 C ATOM 431 OD1 ASN A 29 6.794 -12.878 11.788 1.00 0.00 O ATOM 432 ND2 ASN A 29 5.588 -11.049 11.306 1.00 0.00 N ATOM 0 H ASN A 29 6.372 -9.293 13.141 1.00 0.00 H new ATOM 0 HA ASN A 29 7.938 -11.395 14.079 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.715 -9.793 11.484 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.774 -11.185 11.599 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.760 -11.598 11.074 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.559 -10.031 11.241 1.00 0.00 H new ATOM 439 N GLY A 30 9.616 -9.272 14.866 1.00 0.00 N ATOM 440 CA GLY A 30 10.916 -8.765 15.266 1.00 0.00 C ATOM 441 C GLY A 30 11.067 -7.306 14.931 1.00 0.00 C ATOM 442 O GLY A 30 12.105 -6.703 15.212 1.00 0.00 O ATOM 0 H GLY A 30 8.851 -9.013 15.489 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.049 -8.909 16.338 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.699 -9.336 14.768 1.00 0.00 H new ATOM 446 N TYR A 31 10.026 -6.754 14.302 1.00 0.00 N ATOM 447 CA TYR A 31 9.999 -5.331 13.938 1.00 0.00 C ATOM 448 C TYR A 31 9.104 -4.575 14.949 1.00 0.00 C ATOM 449 O TYR A 31 7.907 -4.382 14.695 1.00 0.00 O ATOM 450 CB TYR A 31 9.489 -5.114 12.493 1.00 0.00 C ATOM 451 CG TYR A 31 10.000 -6.111 11.456 1.00 0.00 C ATOM 452 CD1 TYR A 31 9.502 -7.411 11.389 1.00 0.00 C ATOM 453 CD2 TYR A 31 10.974 -5.739 10.539 1.00 0.00 C ATOM 454 CE1 TYR A 31 9.964 -8.306 10.441 1.00 0.00 C ATOM 455 CE2 TYR A 31 11.440 -6.629 9.589 1.00 0.00 C ATOM 456 CZ TYR A 31 10.933 -7.910 9.546 1.00 0.00 C ATOM 457 OH TYR A 31 11.394 -8.797 8.601 1.00 0.00 O ATOM 0 H TYR A 31 9.188 -7.270 14.033 1.00 0.00 H new ATOM 0 HA TYR A 31 11.017 -4.942 13.975 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.400 -5.153 12.502 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.770 -4.110 12.175 1.00 0.00 H new ATOM 0 HD1 TYR A 31 8.742 -7.725 12.089 1.00 0.00 H new ATOM 0 HD2 TYR A 31 11.375 -4.737 10.568 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.567 -9.310 10.403 1.00 0.00 H new ATOM 0 HE2 TYR A 31 12.198 -6.322 8.884 1.00 0.00 H new ATOM 0 HH TYR A 31 12.074 -8.361 8.047 1.00 0.00 H new ATOM 467 N PRO A 32 9.661 -4.139 16.127 1.00 0.00 N ATOM 468 CA PRO A 32 8.886 -3.437 17.168 1.00 0.00 C ATOM 469 C PRO A 32 8.639 -1.961 16.853 1.00 0.00 C ATOM 470 O PRO A 32 9.534 -1.267 16.361 1.00 0.00 O ATOM 471 CB PRO A 32 9.761 -3.558 18.431 1.00 0.00 C ATOM 472 CG PRO A 32 10.949 -4.382 18.043 1.00 0.00 C ATOM 473 CD PRO A 32 11.067 -4.284 16.551 1.00 0.00 C ATOM 0 HA PRO A 32 7.893 -3.875 17.266 1.00 0.00 H new ATOM 0 HB2 PRO A 32 10.069 -2.575 18.786 1.00 0.00 H new ATOM 0 HB3 PRO A 32 9.208 -4.031 19.243 1.00 0.00 H new ATOM 0 HG2 PRO A 32 11.852 -4.013 18.529 1.00 0.00 H new ATOM 0 HG3 PRO A 32 10.821 -5.419 18.355 1.00 0.00 H new ATOM 0 HD2 PRO A 32 11.672 -3.430 16.247 1.00 0.00 H new ATOM 0 HD3 PRO A 32 11.531 -5.172 16.122 1.00 0.00 H new ATOM 481 N GLY A 33 7.419 -1.500 17.142 1.00 0.00 N ATOM 482 CA GLY A 33 7.057 -0.103 16.904 1.00 0.00 C ATOM 483 C GLY A 33 6.382 0.125 15.560 1.00 0.00 C ATOM 484 O GLY A 33 6.065 1.263 15.207 1.00 0.00 O ATOM 0 H GLY A 33 6.671 -2.070 17.538 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.391 0.232 17.699 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.955 0.512 16.960 1.00 0.00 H new ATOM 488 N HIS A 34 6.140 -0.971 14.828 1.00 0.00 N ATOM 489 CA HIS A 34 5.514 -0.944 13.526 1.00 0.00 C ATOM 490 C HIS A 34 3.997 -0.827 13.682 1.00 0.00 C ATOM 491 O HIS A 34 3.403 -1.497 14.531 1.00 0.00 O ATOM 492 CB HIS A 34 5.899 -2.222 12.756 1.00 0.00 C ATOM 493 CG HIS A 34 5.839 -2.099 11.259 1.00 0.00 C ATOM 494 ND1 HIS A 34 5.154 -2.974 10.452 1.00 0.00 N ATOM 495 CD2 HIS A 34 6.367 -1.166 10.423 1.00 0.00 C ATOM 496 CE1 HIS A 34 5.282 -2.551 9.189 1.00 0.00 C ATOM 497 NE2 HIS A 34 6.003 -1.458 9.123 1.00 0.00 N ATOM 0 H HIS A 34 6.383 -1.911 15.141 1.00 0.00 H new ATOM 0 HA HIS A 34 5.860 -0.078 12.961 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.910 -2.511 13.042 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.237 -3.030 13.067 1.00 0.00 H new ATOM 0 HD1 HIS A 34 4.640 -3.799 10.760 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.976 -0.328 10.728 1.00 0.00 H new ATOM 0 HE1 HIS A 34 4.847 -3.046 8.334 1.00 0.00 H new ATOM 505 N VAL A 35 3.394 0.051 12.889 1.00 0.00 N ATOM 506 CA VAL A 35 1.948 0.285 12.931 1.00 0.00 C ATOM 507 C VAL A 35 1.247 -0.384 11.750 1.00 0.00 C ATOM 508 O VAL A 35 0.041 -0.631 11.799 1.00 0.00 O ATOM 509 CB VAL A 35 1.587 1.799 12.928 1.00 0.00 C ATOM 510 CG1 VAL A 35 1.106 2.264 14.302 1.00 0.00 C ATOM 511 CG2 VAL A 35 2.753 2.667 12.457 1.00 0.00 C ATOM 0 H VAL A 35 3.887 0.620 12.201 1.00 0.00 H new ATOM 0 HA VAL A 35 1.603 -0.152 13.868 1.00 0.00 H new ATOM 0 HB VAL A 35 0.770 1.920 12.216 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.863 3.326 14.262 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.219 1.699 14.587 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.893 2.099 15.038 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.455 3.715 12.471 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.605 2.523 13.121 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.031 2.383 11.442 1.00 0.00 H new ATOM 521 N GLY A 36 2.015 -0.683 10.700 1.00 0.00 N ATOM 522 CA GLY A 36 1.476 -1.313 9.512 1.00 0.00 C ATOM 523 C GLY A 36 2.134 -2.641 9.229 1.00 0.00 C ATOM 524 O GLY A 36 2.548 -3.348 10.152 1.00 0.00 O ATOM 0 H GLY A 36 3.016 -0.494 10.657 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.403 -1.459 9.634 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.613 -0.651 8.657 1.00 0.00 H new ATOM 528 N VAL A 37 2.204 -2.979 7.949 1.00 0.00 N ATOM 529 CA VAL A 37 2.820 -4.225 7.496 1.00 0.00 C ATOM 530 C VAL A 37 3.802 -3.946 6.336 1.00 0.00 C ATOM 531 O VAL A 37 3.615 -2.987 5.581 1.00 0.00 O ATOM 532 CB VAL A 37 1.729 -5.274 7.108 1.00 0.00 C ATOM 533 CG1 VAL A 37 0.888 -4.817 5.919 1.00 0.00 C ATOM 534 CG2 VAL A 37 2.337 -6.655 6.853 1.00 0.00 C ATOM 0 H VAL A 37 1.837 -2.400 7.194 1.00 0.00 H new ATOM 0 HA VAL A 37 3.396 -4.655 8.316 1.00 0.00 H new ATOM 0 HB VAL A 37 1.060 -5.358 7.964 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.143 -5.578 5.686 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.386 -3.882 6.167 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.533 -4.664 5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.547 -7.357 6.586 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.056 -6.591 6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.841 -7.003 7.755 1.00 0.00 H new ATOM 544 N ASP A 38 4.827 -4.798 6.203 1.00 0.00 N ATOM 545 CA ASP A 38 5.841 -4.631 5.158 1.00 0.00 C ATOM 546 C ASP A 38 6.033 -5.908 4.355 1.00 0.00 C ATOM 547 O ASP A 38 6.197 -6.995 4.914 1.00 0.00 O ATOM 548 CB ASP A 38 7.163 -4.138 5.776 1.00 0.00 C ATOM 549 CG ASP A 38 7.025 -2.764 6.401 1.00 0.00 C ATOM 550 OD1 ASP A 38 6.143 -1.994 5.959 1.00 0.00 O ATOM 551 OD2 ASP A 38 7.737 -2.496 7.391 1.00 0.00 O ATOM 0 H ASP A 38 4.974 -5.608 6.805 1.00 0.00 H new ATOM 0 HA ASP A 38 5.491 -3.873 4.457 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.495 -4.848 6.533 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.934 -4.109 5.006 1.00 0.00 H new ATOM 556 N TYR A 39 6.022 -5.741 3.028 1.00 0.00 N ATOM 557 CA TYR A 39 6.155 -6.850 2.086 1.00 0.00 C ATOM 558 C TYR A 39 7.385 -6.663 1.206 1.00 0.00 C ATOM 559 O TYR A 39 7.439 -5.749 0.371 1.00 0.00 O ATOM 560 CB TYR A 39 4.926 -6.964 1.159 1.00 0.00 C ATOM 561 CG TYR A 39 3.561 -6.779 1.800 1.00 0.00 C ATOM 562 CD1 TYR A 39 3.155 -5.529 2.231 1.00 0.00 C ATOM 563 CD2 TYR A 39 2.662 -7.838 1.930 1.00 0.00 C ATOM 564 CE1 TYR A 39 1.909 -5.331 2.770 1.00 0.00 C ATOM 565 CE2 TYR A 39 1.408 -7.642 2.478 1.00 0.00 C ATOM 566 CZ TYR A 39 1.037 -6.387 2.892 1.00 0.00 C ATOM 567 OH TYR A 39 -0.216 -6.186 3.426 1.00 0.00 O ATOM 0 H TYR A 39 5.920 -4.831 2.580 1.00 0.00 H new ATOM 0 HA TYR A 39 6.245 -7.757 2.684 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.031 -6.225 0.365 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.948 -7.946 0.686 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.832 -4.692 2.141 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.950 -8.825 1.598 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.613 -4.346 3.098 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.724 -8.472 2.580 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.706 -7.035 3.440 1.00 0.00 H new ATOM 577 N ALA A 40 8.377 -7.523 1.416 1.00 0.00 N ATOM 578 CA ALA A 40 9.611 -7.517 0.624 1.00 0.00 C ATOM 579 C ALA A 40 9.317 -7.758 -0.868 1.00 0.00 C ATOM 580 O ALA A 40 9.068 -8.892 -1.298 1.00 0.00 O ATOM 581 CB ALA A 40 10.592 -8.555 1.163 1.00 0.00 C ATOM 0 H ALA A 40 8.352 -8.244 2.137 1.00 0.00 H new ATOM 0 HA ALA A 40 10.068 -6.531 0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.503 -8.539 0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.834 -8.323 2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.140 -9.545 1.109 1.00 0.00 H new ATOM 587 N VAL A 41 9.342 -6.664 -1.640 1.00 0.00 N ATOM 588 CA VAL A 41 9.059 -6.696 -3.067 1.00 0.00 C ATOM 589 C VAL A 41 9.973 -5.689 -3.807 1.00 0.00 C ATOM 590 O VAL A 41 10.105 -4.546 -3.363 1.00 0.00 O ATOM 591 CB VAL A 41 7.540 -6.427 -3.362 1.00 0.00 C ATOM 592 CG1 VAL A 41 7.099 -5.017 -2.961 1.00 0.00 C ATOM 593 CG2 VAL A 41 7.194 -6.704 -4.825 1.00 0.00 C ATOM 0 H VAL A 41 9.560 -5.733 -1.285 1.00 0.00 H new ATOM 0 HA VAL A 41 9.275 -7.697 -3.441 1.00 0.00 H new ATOM 0 HB VAL A 41 6.983 -7.126 -2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.041 -4.888 -3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.261 -4.875 -1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.681 -4.282 -3.517 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.135 -6.507 -4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.789 -6.056 -5.469 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.411 -7.746 -5.059 1.00 0.00 H new ATOM 603 N PRO A 42 10.609 -6.106 -4.942 1.00 0.00 N ATOM 604 CA PRO A 42 11.513 -5.242 -5.737 1.00 0.00 C ATOM 605 C PRO A 42 10.977 -3.861 -6.071 1.00 0.00 C ATOM 606 O PRO A 42 9.806 -3.662 -6.405 1.00 0.00 O ATOM 607 CB PRO A 42 11.741 -6.044 -7.017 1.00 0.00 C ATOM 608 CG PRO A 42 11.580 -7.464 -6.607 1.00 0.00 C ATOM 609 CD PRO A 42 10.543 -7.472 -5.514 1.00 0.00 C ATOM 0 HA PRO A 42 12.412 -5.023 -5.161 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.021 -5.771 -7.789 1.00 0.00 H new ATOM 0 HB3 PRO A 42 12.734 -5.861 -7.428 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.262 -8.079 -7.449 1.00 0.00 H new ATOM 0 HG3 PRO A 42 12.524 -7.876 -6.250 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.551 -7.692 -5.908 1.00 0.00 H new ATOM 0 HD3 PRO A 42 10.762 -8.230 -4.762 1.00 0.00 H new ATOM 617 N VAL A 43 11.912 -2.931 -5.960 1.00 0.00 N ATOM 618 CA VAL A 43 11.737 -1.509 -6.203 1.00 0.00 C ATOM 619 C VAL A 43 11.468 -1.175 -7.679 1.00 0.00 C ATOM 620 O VAL A 43 12.016 -1.819 -8.578 1.00 0.00 O ATOM 621 CB VAL A 43 13.012 -0.769 -5.683 1.00 0.00 C ATOM 622 CG1 VAL A 43 14.298 -1.423 -6.186 1.00 0.00 C ATOM 623 CG2 VAL A 43 13.016 0.725 -6.020 1.00 0.00 C ATOM 0 H VAL A 43 12.866 -3.162 -5.683 1.00 0.00 H new ATOM 0 HA VAL A 43 10.850 -1.173 -5.666 1.00 0.00 H new ATOM 0 HB VAL A 43 12.977 -0.860 -4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.159 -0.877 -5.801 1.00 0.00 H new ATOM 0 HG12 VAL A 43 14.340 -2.456 -5.841 1.00 0.00 H new ATOM 0 HG13 VAL A 43 14.314 -1.403 -7.276 1.00 0.00 H new ATOM 0 HG21 VAL A 43 13.926 1.183 -5.633 1.00 0.00 H new ATOM 0 HG22 VAL A 43 12.977 0.854 -7.102 1.00 0.00 H new ATOM 0 HG23 VAL A 43 12.148 1.203 -5.566 1.00 0.00 H new ATOM 633 N GLY A 44 10.611 -0.171 -7.898 1.00 0.00 N ATOM 634 CA GLY A 44 10.307 0.269 -9.240 1.00 0.00 C ATOM 635 C GLY A 44 9.031 -0.323 -9.803 1.00 0.00 C ATOM 636 O GLY A 44 8.688 -0.065 -10.961 1.00 0.00 O ATOM 0 H GLY A 44 10.125 0.341 -7.161 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.226 1.356 -9.246 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.138 0.007 -9.895 1.00 0.00 H new ATOM 640 N THR A 45 8.328 -1.116 -8.986 1.00 0.00 N ATOM 641 CA THR A 45 7.082 -1.731 -9.389 1.00 0.00 C ATOM 642 C THR A 45 5.912 -0.774 -9.116 1.00 0.00 C ATOM 643 O THR A 45 5.774 -0.297 -7.986 1.00 0.00 O ATOM 644 CB THR A 45 6.847 -3.076 -8.661 1.00 0.00 C ATOM 645 OG1 THR A 45 8.087 -3.783 -8.519 1.00 0.00 O ATOM 646 CG2 THR A 45 5.857 -3.957 -9.422 1.00 0.00 C ATOM 0 H THR A 45 8.615 -1.342 -8.034 1.00 0.00 H new ATOM 0 HA THR A 45 7.142 -1.937 -10.458 1.00 0.00 H new ATOM 0 HB THR A 45 6.431 -2.850 -7.679 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.428 -3.665 -7.608 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.715 -4.894 -8.883 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.902 -3.440 -9.509 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.248 -4.167 -10.418 1.00 0.00 H new ATOM 654 N PRO A 46 5.043 -0.472 -10.132 1.00 0.00 N ATOM 655 CA PRO A 46 3.906 0.447 -9.941 1.00 0.00 C ATOM 656 C PRO A 46 2.926 -0.031 -8.870 1.00 0.00 C ATOM 657 O PRO A 46 2.434 -1.165 -8.916 1.00 0.00 O ATOM 658 CB PRO A 46 3.215 0.488 -11.312 1.00 0.00 C ATOM 659 CG PRO A 46 4.223 -0.015 -12.283 1.00 0.00 C ATOM 660 CD PRO A 46 5.091 -0.981 -11.527 1.00 0.00 C ATOM 0 HA PRO A 46 4.249 1.422 -9.596 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.320 -0.134 -11.319 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.901 1.501 -11.563 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.739 -0.506 -13.127 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.816 0.805 -12.688 1.00 0.00 H new ATOM 0 HD2 PRO A 46 4.711 -2.000 -11.596 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.110 -0.994 -11.915 1.00 0.00 H new ATOM 668 N VAL A 47 2.664 0.850 -7.907 1.00 0.00 N ATOM 669 CA VAL A 47 1.756 0.590 -6.823 1.00 0.00 C ATOM 670 C VAL A 47 0.442 1.243 -7.134 1.00 0.00 C ATOM 671 O VAL A 47 0.359 2.454 -7.363 1.00 0.00 O ATOM 672 CB VAL A 47 2.287 1.085 -5.448 1.00 0.00 C ATOM 673 CG1 VAL A 47 1.481 0.488 -4.293 1.00 0.00 C ATOM 674 CG2 VAL A 47 3.764 0.753 -5.271 1.00 0.00 C ATOM 0 H VAL A 47 3.090 1.776 -7.869 1.00 0.00 H new ATOM 0 HA VAL A 47 1.644 -0.491 -6.734 1.00 0.00 H new ATOM 0 HB VAL A 47 2.169 2.169 -5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.877 0.854 -3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.436 0.784 -4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.555 -0.599 -4.322 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.104 1.113 -4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.904 -0.327 -5.327 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.342 1.235 -6.059 1.00 0.00 H new ATOM 684 N ARG A 48 -0.564 0.405 -7.150 1.00 0.00 N ATOM 685 CA ARG A 48 -1.900 0.828 -7.452 1.00 0.00 C ATOM 686 C ARG A 48 -2.744 0.972 -6.208 1.00 0.00 C ATOM 687 O ARG A 48 -2.506 0.313 -5.190 1.00 0.00 O ATOM 688 CB ARG A 48 -2.577 -0.124 -8.454 1.00 0.00 C ATOM 689 CG ARG A 48 -1.871 -0.241 -9.801 1.00 0.00 C ATOM 690 CD ARG A 48 -0.842 -1.362 -9.807 1.00 0.00 C ATOM 691 NE ARG A 48 -0.126 -1.444 -11.084 1.00 0.00 N ATOM 692 CZ ARG A 48 0.361 -2.573 -11.614 1.00 0.00 C ATOM 693 NH1 ARG A 48 0.217 -3.742 -10.992 1.00 0.00 N ATOM 694 NH2 ARG A 48 0.997 -2.531 -12.777 1.00 0.00 N ATOM 0 H ARG A 48 -0.475 -0.592 -6.953 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.820 1.812 -7.913 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.641 -1.115 -8.006 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.599 0.216 -8.623 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.609 -0.421 -10.583 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.380 0.703 -10.037 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.127 -1.202 -9.000 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.339 -2.311 -9.609 1.00 0.00 H new ATOM 0 HE ARG A 48 0.011 -0.579 -11.606 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.271 -3.787 -10.097 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.594 -4.592 -11.410 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.113 -1.642 -13.263 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.370 -3.388 -13.185 1.00 0.00 H new ATOM 708 N ALA A 49 -3.762 1.827 -6.328 1.00 0.00 N ATOM 709 CA ALA A 49 -4.669 2.121 -5.240 1.00 0.00 C ATOM 710 C ALA A 49 -5.619 0.958 -4.983 1.00 0.00 C ATOM 711 O ALA A 49 -6.291 0.477 -5.896 1.00 0.00 O ATOM 712 CB ALA A 49 -5.450 3.394 -5.527 1.00 0.00 C ATOM 0 H ALA A 49 -3.973 2.331 -7.189 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.074 2.272 -4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.127 3.600 -4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.757 4.227 -5.645 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.026 3.269 -6.444 1.00 0.00 H new ATOM 718 N VAL A 50 -5.624 0.480 -3.744 1.00 0.00 N ATOM 719 CA VAL A 50 -6.489 -0.641 -3.342 1.00 0.00 C ATOM 720 C VAL A 50 -7.991 -0.281 -3.365 1.00 0.00 C ATOM 721 O VAL A 50 -8.845 -1.173 -3.418 1.00 0.00 O ATOM 722 CB VAL A 50 -6.070 -1.202 -1.958 1.00 0.00 C ATOM 723 CG1 VAL A 50 -6.948 -2.370 -1.499 1.00 0.00 C ATOM 724 CG2 VAL A 50 -4.607 -1.632 -1.971 1.00 0.00 C ATOM 0 H VAL A 50 -5.040 0.847 -2.993 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.348 -1.423 -4.088 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.208 -0.390 -1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.607 -2.721 -0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.984 -2.039 -1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.879 -3.183 -2.222 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.334 -2.022 -0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.462 -2.407 -2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.978 -0.774 -2.208 1.00 0.00 H new ATOM 734 N ALA A 51 -8.300 1.020 -3.357 1.00 0.00 N ATOM 735 CA ALA A 51 -9.668 1.517 -3.383 1.00 0.00 C ATOM 736 C ALA A 51 -9.681 3.014 -3.606 1.00 0.00 C ATOM 737 O ALA A 51 -8.791 3.733 -3.141 1.00 0.00 O ATOM 738 CB ALA A 51 -10.410 1.177 -2.099 1.00 0.00 C ATOM 0 H ALA A 51 -7.597 1.759 -3.332 1.00 0.00 H new ATOM 0 HA ALA A 51 -10.181 1.026 -4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -11.428 1.563 -2.154 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.439 0.095 -1.971 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.896 1.629 -1.251 1.00 0.00 H new ATOM 744 N ASN A 52 -10.688 3.467 -4.352 1.00 0.00 N ATOM 745 CA ASN A 52 -10.884 4.872 -4.664 1.00 0.00 C ATOM 746 C ASN A 52 -11.073 5.719 -3.401 1.00 0.00 C ATOM 747 O ASN A 52 -11.459 5.200 -2.350 1.00 0.00 O ATOM 748 CB ASN A 52 -12.090 5.035 -5.606 1.00 0.00 C ATOM 749 CG ASN A 52 -13.306 4.183 -5.264 1.00 0.00 C ATOM 750 OD1 ASN A 52 -13.997 3.682 -6.151 1.00 0.00 O ATOM 751 ND2 ASN A 52 -13.572 4.031 -3.987 1.00 0.00 N ATOM 0 H ASN A 52 -11.396 2.856 -4.759 1.00 0.00 H new ATOM 0 HA ASN A 52 -9.984 5.232 -5.162 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.390 6.083 -5.606 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -11.772 4.794 -6.620 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -14.379 3.479 -3.696 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -12.971 4.465 -3.286 1.00 0.00 H new ATOM 758 N GLY A 53 -10.796 7.017 -3.526 1.00 0.00 N ATOM 759 CA GLY A 53 -10.937 7.920 -2.395 1.00 0.00 C ATOM 760 C GLY A 53 -10.276 9.271 -2.604 1.00 0.00 C ATOM 761 O GLY A 53 -10.558 9.961 -3.587 1.00 0.00 O ATOM 0 H GLY A 53 -10.477 7.458 -4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.997 8.072 -2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.508 7.449 -1.510 1.00 0.00 H new ATOM 765 N THR A 54 -9.381 9.631 -1.670 1.00 0.00 N ATOM 766 CA THR A 54 -8.690 10.890 -1.675 1.00 0.00 C ATOM 767 C THR A 54 -7.297 10.721 -1.078 1.00 0.00 C ATOM 768 O THR A 54 -7.114 9.973 -0.118 1.00 0.00 O ATOM 769 CB THR A 54 -9.470 11.924 -0.855 1.00 0.00 C ATOM 770 OG1 THR A 54 -10.857 11.907 -1.221 1.00 0.00 O ATOM 771 CG2 THR A 54 -8.922 13.342 -1.028 1.00 0.00 C ATOM 0 H THR A 54 -9.127 9.031 -0.885 1.00 0.00 H new ATOM 0 HA THR A 54 -8.605 11.237 -2.705 1.00 0.00 H new ATOM 0 HB THR A 54 -9.354 11.645 0.192 1.00 0.00 H new ATOM 0 HG1 THR A 54 -11.344 12.571 -0.689 1.00 0.00 H new ATOM 0 HG21 THR A 54 -9.510 14.035 -0.426 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.882 13.372 -0.704 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.984 13.630 -2.077 1.00 0.00 H new ATOM 779 N VAL A 55 -6.341 11.449 -1.646 1.00 0.00 N ATOM 780 CA VAL A 55 -4.958 11.439 -1.217 1.00 0.00 C ATOM 781 C VAL A 55 -4.781 12.467 -0.095 1.00 0.00 C ATOM 782 O VAL A 55 -4.930 13.670 -0.305 1.00 0.00 O ATOM 783 CB VAL A 55 -3.988 11.776 -2.387 1.00 0.00 C ATOM 784 CG1 VAL A 55 -2.536 11.469 -2.033 1.00 0.00 C ATOM 785 CG2 VAL A 55 -4.369 11.047 -3.673 1.00 0.00 C ATOM 0 H VAL A 55 -6.516 12.073 -2.433 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.715 10.437 -0.864 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.083 12.849 -2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.895 11.719 -2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.240 12.059 -1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.434 10.409 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.666 11.311 -4.463 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.337 9.971 -3.504 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.376 11.338 -3.971 1.00 0.00 H new ATOM 795 N LYS A 56 -4.501 11.960 1.082 1.00 0.00 N ATOM 796 CA LYS A 56 -4.292 12.783 2.279 1.00 0.00 C ATOM 797 C LYS A 56 -2.811 13.058 2.488 1.00 0.00 C ATOM 798 O LYS A 56 -2.430 13.936 3.270 1.00 0.00 O ATOM 799 CB LYS A 56 -4.869 12.134 3.563 1.00 0.00 C ATOM 800 CG LYS A 56 -5.930 11.044 3.359 1.00 0.00 C ATOM 801 CD LYS A 56 -7.102 11.503 2.492 1.00 0.00 C ATOM 802 CE LYS A 56 -8.175 12.230 3.299 1.00 0.00 C ATOM 803 NZ LYS A 56 -9.370 12.550 2.471 1.00 0.00 N ATOM 0 H LYS A 56 -4.408 10.958 1.251 1.00 0.00 H new ATOM 0 HA LYS A 56 -4.828 13.716 2.104 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.043 11.705 4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.303 12.922 4.179 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.464 10.173 2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.307 10.726 4.331 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.733 12.163 1.707 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.546 10.638 1.999 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.474 11.611 4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.760 13.151 3.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.039 13.117 3.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.077 13.090 1.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.831 11.667 2.171 1.00 0.00 H new ATOM 817 N PHE A 57 -1.987 12.281 1.783 1.00 0.00 N ATOM 818 CA PHE A 57 -0.542 12.403 1.832 1.00 0.00 C ATOM 819 C PHE A 57 0.073 11.882 0.544 1.00 0.00 C ATOM 820 O PHE A 57 -0.343 10.857 0.000 1.00 0.00 O ATOM 821 CB PHE A 57 0.069 11.658 3.029 1.00 0.00 C ATOM 822 CG PHE A 57 1.375 12.247 3.487 1.00 0.00 C ATOM 823 CD1 PHE A 57 1.407 13.195 4.496 1.00 0.00 C ATOM 824 CD2 PHE A 57 2.568 11.867 2.890 1.00 0.00 C ATOM 825 CE1 PHE A 57 2.604 13.754 4.901 1.00 0.00 C ATOM 826 CE2 PHE A 57 3.766 12.420 3.293 1.00 0.00 C ATOM 827 CZ PHE A 57 3.786 13.366 4.299 1.00 0.00 C ATOM 0 H PHE A 57 -2.314 11.544 1.158 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.317 13.463 1.951 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.639 11.672 3.858 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.223 10.613 2.759 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.487 13.501 4.971 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.559 11.130 2.101 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.616 14.494 5.688 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.688 12.113 2.822 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.723 13.801 4.614 1.00 0.00 H new ATOM 837 N ALA A 58 1.081 12.612 0.094 1.00 0.00 N ATOM 838 CA ALA A 58 1.826 12.316 -1.111 1.00 0.00 C ATOM 839 C ALA A 58 3.260 12.806 -0.938 1.00 0.00 C ATOM 840 O ALA A 58 3.584 13.972 -1.200 1.00 0.00 O ATOM 841 CB ALA A 58 1.169 12.946 -2.341 1.00 0.00 C ATOM 0 H ALA A 58 1.410 13.450 0.574 1.00 0.00 H new ATOM 0 HA ALA A 58 1.831 11.238 -1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.753 12.705 -3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.158 12.554 -2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.127 14.028 -2.217 1.00 0.00 H new ATOM 847 N GLY A 59 4.097 11.893 -0.465 1.00 0.00 N ATOM 848 CA GLY A 59 5.501 12.174 -0.233 1.00 0.00 C ATOM 849 C GLY A 59 6.377 11.739 -1.388 1.00 0.00 C ATOM 850 O GLY A 59 6.826 10.585 -1.433 1.00 0.00 O ATOM 0 H GLY A 59 3.819 10.939 -0.233 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.631 13.243 -0.065 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.825 11.666 0.676 1.00 0.00 H new ATOM 854 N ASN A 60 6.614 12.685 -2.313 1.00 0.00 N ATOM 855 CA ASN A 60 7.424 12.468 -3.517 1.00 0.00 C ATOM 856 C ASN A 60 8.907 12.336 -3.213 1.00 0.00 C ATOM 857 O ASN A 60 9.534 13.224 -2.630 1.00 0.00 O ATOM 858 CB ASN A 60 7.200 13.606 -4.523 1.00 0.00 C ATOM 859 CG ASN A 60 5.816 13.585 -5.129 1.00 0.00 C ATOM 860 OD1 ASN A 60 5.642 13.806 -6.327 1.00 0.00 O ATOM 861 ND2 ASN A 60 4.820 13.337 -4.296 1.00 0.00 N ATOM 0 H ASN A 60 6.242 13.632 -2.242 1.00 0.00 H new ATOM 0 HA ASN A 60 7.096 11.522 -3.948 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.360 14.562 -4.025 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.942 13.533 -5.319 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.860 13.323 -4.639 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.012 13.159 -3.310 1.00 0.00 H new ATOM 868 N GLY A 61 9.430 11.198 -3.638 1.00 0.00 N ATOM 869 CA GLY A 61 10.839 10.850 -3.458 1.00 0.00 C ATOM 870 C GLY A 61 11.756 11.495 -4.487 1.00 0.00 C ATOM 871 O GLY A 61 12.972 11.292 -4.453 1.00 0.00 O ATOM 0 H GLY A 61 8.889 10.481 -4.122 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.156 11.152 -2.460 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.948 9.767 -3.513 1.00 0.00 H new ATOM 875 N ALA A 62 11.163 12.264 -5.406 1.00 0.00 N ATOM 876 CA ALA A 62 11.904 12.934 -6.468 1.00 0.00 C ATOM 877 C ALA A 62 12.614 14.195 -5.991 1.00 0.00 C ATOM 878 O ALA A 62 13.690 14.536 -6.489 1.00 0.00 O ATOM 879 CB ALA A 62 10.970 13.267 -7.617 1.00 0.00 C ATOM 0 H ALA A 62 10.158 12.436 -5.431 1.00 0.00 H new ATOM 0 HA ALA A 62 12.678 12.243 -6.803 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.529 13.767 -8.407 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.532 12.349 -8.008 1.00 0.00 H new ATOM 0 HB3 ALA A 62 10.176 13.925 -7.262 1.00 0.00 H new ATOM 885 N ASN A 63 12.001 14.874 -5.024 1.00 0.00 N ATOM 886 CA ASN A 63 12.537 16.113 -4.486 1.00 0.00 C ATOM 887 C ASN A 63 12.402 16.175 -2.965 1.00 0.00 C ATOM 888 O ASN A 63 12.307 17.264 -2.379 1.00 0.00 O ATOM 889 CB ASN A 63 11.839 17.304 -5.121 1.00 0.00 C ATOM 890 CG ASN A 63 12.802 18.331 -5.654 1.00 0.00 C ATOM 891 OD1 ASN A 63 13.362 19.135 -4.908 1.00 0.00 O ATOM 892 ND2 ASN A 63 12.983 18.315 -6.962 1.00 0.00 N ATOM 0 H ASN A 63 11.123 14.579 -4.596 1.00 0.00 H new ATOM 0 HA ASN A 63 13.600 16.146 -4.726 1.00 0.00 H new ATOM 0 HB2 ASN A 63 11.202 16.955 -5.933 1.00 0.00 H new ATOM 0 HB3 ASN A 63 11.187 17.772 -4.384 1.00 0.00 H new ATOM 0 HD21 ASN A 63 13.611 18.990 -7.398 1.00 0.00 H new ATOM 0 HD22 ASN A 63 12.495 17.628 -7.536 1.00 0.00 H new ATOM 899 N HIS A 64 12.389 15.007 -2.323 1.00 0.00 N ATOM 900 CA HIS A 64 12.240 14.919 -0.898 1.00 0.00 C ATOM 901 C HIS A 64 13.550 15.204 -0.124 1.00 0.00 C ATOM 902 O HIS A 64 14.512 14.438 -0.235 1.00 0.00 O ATOM 903 CB HIS A 64 11.665 13.543 -0.507 1.00 0.00 C ATOM 904 CG HIS A 64 12.469 12.325 -0.921 1.00 0.00 C ATOM 905 ND1 HIS A 64 12.179 11.056 -0.460 1.00 0.00 N ATOM 906 CD2 HIS A 64 13.547 12.181 -1.739 1.00 0.00 C ATOM 907 CE1 HIS A 64 13.041 10.192 -0.970 1.00 0.00 C ATOM 908 NE2 HIS A 64 13.878 10.850 -1.748 1.00 0.00 N ATOM 0 H HIS A 64 12.482 14.105 -2.789 1.00 0.00 H new ATOM 0 HA HIS A 64 11.541 15.703 -0.608 1.00 0.00 H new ATOM 0 HB2 HIS A 64 11.546 13.520 0.576 1.00 0.00 H new ATOM 0 HB3 HIS A 64 10.668 13.456 -0.939 1.00 0.00 H new ATOM 0 HD2 HIS A 64 14.049 12.969 -2.281 1.00 0.00 H new ATOM 0 HE1 HIS A 64 13.057 9.129 -0.781 1.00 0.00 H new ATOM 0 HE2 HIS A 64 14.648 10.435 -2.273 1.00 0.00 H new ATOM 917 N PRO A 65 13.618 16.323 0.665 1.00 0.00 N ATOM 918 CA PRO A 65 14.784 16.662 1.483 1.00 0.00 C ATOM 919 C PRO A 65 14.976 15.667 2.593 1.00 0.00 C ATOM 920 O PRO A 65 14.104 14.869 2.871 1.00 0.00 O ATOM 921 CB PRO A 65 14.428 18.033 2.086 1.00 0.00 C ATOM 922 CG PRO A 65 13.393 18.564 1.190 1.00 0.00 C ATOM 923 CD PRO A 65 12.591 17.365 0.829 1.00 0.00 C ATOM 0 HA PRO A 65 15.704 16.665 0.899 1.00 0.00 H new ATOM 0 HB2 PRO A 65 14.059 17.935 3.107 1.00 0.00 H new ATOM 0 HB3 PRO A 65 15.297 18.689 2.123 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.783 19.319 1.686 1.00 0.00 H new ATOM 0 HG3 PRO A 65 13.829 19.034 0.309 1.00 0.00 H new ATOM 0 HD2 PRO A 65 11.875 17.108 1.609 1.00 0.00 H new ATOM 0 HD3 PRO A 65 12.022 17.520 -0.088 1.00 0.00 H new ATOM 931 N TRP A 66 16.151 15.658 3.156 1.00 0.00 N ATOM 932 CA TRP A 66 16.425 14.794 4.281 1.00 0.00 C ATOM 933 C TRP A 66 16.243 15.604 5.557 1.00 0.00 C ATOM 934 O TRP A 66 16.556 15.146 6.663 1.00 0.00 O ATOM 935 CB TRP A 66 17.825 14.212 4.235 1.00 0.00 C ATOM 936 CG TRP A 66 18.107 13.375 3.019 1.00 0.00 C ATOM 937 CD1 TRP A 66 18.352 13.828 1.752 1.00 0.00 C ATOM 938 CD2 TRP A 66 18.160 11.940 2.948 1.00 0.00 C ATOM 939 NE1 TRP A 66 18.551 12.770 0.901 1.00 0.00 N ATOM 940 CE2 TRP A 66 18.440 11.601 1.610 1.00 0.00 C ATOM 941 CE3 TRP A 66 17.998 10.909 3.883 1.00 0.00 C ATOM 942 CZ2 TRP A 66 18.562 10.280 1.185 1.00 0.00 C ATOM 943 CZ3 TRP A 66 18.119 9.599 3.458 1.00 0.00 C ATOM 944 CH2 TRP A 66 18.399 9.296 2.120 1.00 0.00 C ATOM 0 H TRP A 66 16.937 16.236 2.859 1.00 0.00 H new ATOM 0 HA TRP A 66 15.733 13.952 4.248 1.00 0.00 H new ATOM 0 HB2 TRP A 66 18.547 15.028 4.275 1.00 0.00 H new ATOM 0 HB3 TRP A 66 17.982 13.603 5.125 1.00 0.00 H new ATOM 0 HD1 TRP A 66 18.384 14.868 1.463 1.00 0.00 H new ATOM 0 HE1 TRP A 66 18.749 12.841 -0.097 1.00 0.00 H new ATOM 0 HE3 TRP A 66 17.782 11.134 4.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 18.778 10.042 0.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 17.996 8.796 4.170 1.00 0.00 H new ATOM 0 HH2 TRP A 66 18.488 8.262 1.820 1.00 0.00 H new ATOM 955 N MET A 67 15.692 16.820 5.378 1.00 0.00 N ATOM 956 CA MET A 67 15.456 17.736 6.477 1.00 0.00 C ATOM 957 C MET A 67 14.246 17.301 7.269 1.00 0.00 C ATOM 958 O MET A 67 14.276 17.281 8.504 1.00 0.00 O ATOM 959 CB MET A 67 15.280 19.173 5.973 1.00 0.00 C ATOM 960 CG MET A 67 16.561 19.804 5.447 1.00 0.00 C ATOM 961 SD MET A 67 16.288 21.445 4.750 1.00 0.00 S ATOM 962 CE MET A 67 17.929 21.831 4.146 1.00 0.00 C ATOM 0 H MET A 67 15.404 17.180 4.468 1.00 0.00 H new ATOM 0 HA MET A 67 16.329 17.716 7.129 1.00 0.00 H new ATOM 0 HB2 MET A 67 14.531 19.180 5.181 1.00 0.00 H new ATOM 0 HB3 MET A 67 14.891 19.787 6.785 1.00 0.00 H new ATOM 0 HG2 MET A 67 17.287 19.873 6.257 1.00 0.00 H new ATOM 0 HG3 MET A 67 16.995 19.157 4.685 1.00 0.00 H new ATOM 0 HE1 MET A 67 17.924 22.819 3.685 1.00 0.00 H new ATOM 0 HE2 MET A 67 18.634 21.822 4.977 1.00 0.00 H new ATOM 0 HE3 MET A 67 18.229 21.088 3.407 1.00 0.00 H new ATOM 972 N LEU A 68 13.192 16.941 6.550 1.00 0.00 N ATOM 973 CA LEU A 68 11.995 16.458 7.191 1.00 0.00 C ATOM 974 C LEU A 68 11.674 15.047 6.698 1.00 0.00 C ATOM 975 O LEU A 68 10.580 14.531 6.956 1.00 0.00 O ATOM 976 CB LEU A 68 10.817 17.449 7.008 1.00 0.00 C ATOM 977 CG LEU A 68 10.285 17.669 5.591 1.00 0.00 C ATOM 978 CD1 LEU A 68 9.096 16.746 5.321 1.00 0.00 C ATOM 979 CD2 LEU A 68 9.885 19.123 5.397 1.00 0.00 C ATOM 0 H LEU A 68 13.149 16.977 5.532 1.00 0.00 H new ATOM 0 HA LEU A 68 12.164 16.396 8.266 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.989 17.103 7.627 1.00 0.00 H new ATOM 0 HB3 LEU A 68 11.128 18.416 7.403 1.00 0.00 H new ATOM 0 HG LEU A 68 11.076 17.430 4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.728 16.914 4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.410 15.708 5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.301 16.958 6.036 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.508 19.265 4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.107 19.385 6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.753 19.763 5.554 1.00 0.00 H new ATOM 991 N TRP A 69 12.639 14.417 5.978 1.00 0.00 N ATOM 992 CA TRP A 69 12.411 13.074 5.456 1.00 0.00 C ATOM 993 C TRP A 69 13.554 12.141 5.841 1.00 0.00 C ATOM 994 O TRP A 69 14.722 12.542 5.848 1.00 0.00 O ATOM 995 CB TRP A 69 12.193 13.079 3.922 1.00 0.00 C ATOM 996 CG TRP A 69 11.400 14.264 3.397 1.00 0.00 C ATOM 997 CD1 TRP A 69 11.728 15.583 3.536 1.00 0.00 C ATOM 998 CD2 TRP A 69 10.178 14.245 2.642 1.00 0.00 C ATOM 999 NE1 TRP A 69 10.785 16.376 2.960 1.00 0.00 N ATOM 1000 CE2 TRP A 69 9.828 15.588 2.391 1.00 0.00 C ATOM 1001 CE3 TRP A 69 9.340 13.239 2.162 1.00 0.00 C ATOM 1002 CZ2 TRP A 69 8.687 15.946 1.687 1.00 0.00 C ATOM 1003 CZ3 TRP A 69 8.208 13.601 1.460 1.00 0.00 C ATOM 1004 CH2 TRP A 69 7.891 14.944 1.228 1.00 0.00 C ATOM 0 H TRP A 69 13.552 14.816 5.759 1.00 0.00 H new ATOM 0 HA TRP A 69 11.494 12.700 5.911 1.00 0.00 H new ATOM 0 HB2 TRP A 69 13.166 13.064 3.430 1.00 0.00 H new ATOM 0 HB3 TRP A 69 11.678 12.161 3.639 1.00 0.00 H new ATOM 0 HD1 TRP A 69 12.614 15.946 4.035 1.00 0.00 H new ATOM 0 HE1 TRP A 69 10.792 17.396 2.954 1.00 0.00 H new ATOM 0 HE3 TRP A 69 9.572 12.199 2.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 8.440 16.983 1.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 7.552 12.831 1.081 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.997 15.189 0.674 1.00 0.00 H new ATOM 1015 N MET A 70 13.187 10.919 6.234 1.00 0.00 N ATOM 1016 CA MET A 70 14.151 9.889 6.636 1.00 0.00 C ATOM 1017 C MET A 70 13.692 8.506 6.172 1.00 0.00 C ATOM 1018 O MET A 70 14.509 7.592 6.032 1.00 0.00 O ATOM 1019 CB MET A 70 14.347 9.894 8.158 1.00 0.00 C ATOM 1020 CG MET A 70 15.307 10.967 8.650 1.00 0.00 C ATOM 1021 SD MET A 70 17.030 10.584 8.274 1.00 0.00 S ATOM 1022 CE MET A 70 17.878 11.834 9.237 1.00 0.00 C ATOM 0 H MET A 70 12.215 10.615 6.283 1.00 0.00 H new ATOM 0 HA MET A 70 15.104 10.118 6.160 1.00 0.00 H new ATOM 0 HB2 MET A 70 13.379 10.037 8.639 1.00 0.00 H new ATOM 0 HB3 MET A 70 14.717 8.918 8.471 1.00 0.00 H new ATOM 0 HG2 MET A 70 15.043 11.921 8.194 1.00 0.00 H new ATOM 0 HG3 MET A 70 15.192 11.086 9.727 1.00 0.00 H new ATOM 0 HE1 MET A 70 18.955 11.726 9.106 1.00 0.00 H new ATOM 0 HE2 MET A 70 17.570 12.824 8.901 1.00 0.00 H new ATOM 0 HE3 MET A 70 17.626 11.714 10.291 1.00 0.00 H new ATOM 1032 N ALA A 71 12.381 8.374 5.909 1.00 0.00 N ATOM 1033 CA ALA A 71 11.791 7.107 5.461 1.00 0.00 C ATOM 1034 C ALA A 71 11.653 7.047 3.944 1.00 0.00 C ATOM 1035 O ALA A 71 11.706 5.965 3.356 1.00 0.00 O ATOM 1036 CB ALA A 71 10.437 6.896 6.121 1.00 0.00 C ATOM 0 H ALA A 71 11.709 9.136 6.000 1.00 0.00 H new ATOM 0 HA ALA A 71 12.467 6.306 5.760 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.009 5.953 5.781 1.00 0.00 H new ATOM 0 HB2 ALA A 71 10.560 6.869 7.204 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.770 7.715 5.852 1.00 0.00 H new ATOM 1042 N GLY A 72 11.488 8.216 3.329 1.00 0.00 N ATOM 1043 CA GLY A 72 11.355 8.304 1.880 1.00 0.00 C ATOM 1044 C GLY A 72 9.955 8.666 1.411 1.00 0.00 C ATOM 1045 O GLY A 72 9.352 9.622 1.909 1.00 0.00 O ATOM 0 H GLY A 72 11.443 9.113 3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.057 9.049 1.505 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.639 7.348 1.440 1.00 0.00 H new ATOM 1049 N ASN A 73 9.450 7.885 0.443 1.00 0.00 N ATOM 1050 CA ASN A 73 8.133 8.085 -0.151 1.00 0.00 C ATOM 1051 C ASN A 73 7.012 7.546 0.726 1.00 0.00 C ATOM 1052 O ASN A 73 7.151 6.493 1.357 1.00 0.00 O ATOM 1053 CB ASN A 73 8.059 7.386 -1.505 1.00 0.00 C ATOM 1054 CG ASN A 73 8.884 8.060 -2.578 1.00 0.00 C ATOM 1055 OD1 ASN A 73 8.356 8.787 -3.415 1.00 0.00 O ATOM 1056 ND2 ASN A 73 10.186 7.807 -2.561 1.00 0.00 N ATOM 0 H ASN A 73 9.956 7.090 0.052 1.00 0.00 H new ATOM 0 HA ASN A 73 7.999 9.161 -0.260 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.396 6.356 -1.392 1.00 0.00 H new ATOM 0 HB3 ASN A 73 7.019 7.347 -1.828 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.796 8.224 -3.265 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.577 7.196 -1.844 1.00 0.00 H new ATOM 1063 N ALA A 74 5.882 8.258 0.715 1.00 0.00 N ATOM 1064 CA ALA A 74 4.713 7.877 1.499 1.00 0.00 C ATOM 1065 C ALA A 74 3.427 8.346 0.843 1.00 0.00 C ATOM 1066 O ALA A 74 3.382 9.420 0.245 1.00 0.00 O ATOM 1067 CB ALA A 74 4.800 8.411 2.926 1.00 0.00 C ATOM 0 H ALA A 74 5.756 9.108 0.165 1.00 0.00 H new ATOM 0 HA ALA A 74 4.699 6.788 1.540 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.913 8.109 3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.688 8.007 3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.861 9.499 2.904 1.00 0.00 H new ATOM 1073 N VAL A 75 2.376 7.534 0.977 1.00 0.00 N ATOM 1074 CA VAL A 75 1.071 7.851 0.402 1.00 0.00 C ATOM 1075 C VAL A 75 -0.031 7.452 1.366 1.00 0.00 C ATOM 1076 O VAL A 75 -0.149 6.285 1.745 1.00 0.00 O ATOM 1077 CB VAL A 75 0.783 7.145 -0.964 1.00 0.00 C ATOM 1078 CG1 VAL A 75 -0.192 7.968 -1.799 1.00 0.00 C ATOM 1079 CG2 VAL A 75 2.050 6.874 -1.761 1.00 0.00 C ATOM 0 H VAL A 75 2.406 6.648 1.482 1.00 0.00 H new ATOM 0 HA VAL A 75 1.091 8.926 0.222 1.00 0.00 H new ATOM 0 HB VAL A 75 0.335 6.180 -0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.379 7.460 -2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.130 8.082 -1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.236 8.951 -1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.792 6.383 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.556 7.816 -1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.712 6.228 -1.184 1.00 0.00 H new ATOM 1089 N LEU A 76 -0.834 8.430 1.745 1.00 0.00 N ATOM 1090 CA LEU A 76 -1.957 8.203 2.621 1.00 0.00 C ATOM 1091 C LEU A 76 -3.183 8.656 1.900 1.00 0.00 C ATOM 1092 O LEU A 76 -3.250 9.764 1.372 1.00 0.00 O ATOM 1093 CB LEU A 76 -1.801 8.923 3.950 1.00 0.00 C ATOM 1094 CG LEU A 76 -2.185 8.121 5.200 1.00 0.00 C ATOM 1095 CD1 LEU A 76 -1.202 8.396 6.328 1.00 0.00 C ATOM 1096 CD2 LEU A 76 -3.601 8.459 5.645 1.00 0.00 C ATOM 0 H LEU A 76 -0.722 9.401 1.452 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.025 7.143 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.762 9.238 4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.407 9.828 3.923 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.146 7.061 4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.488 7.820 7.208 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.199 8.107 6.015 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.214 9.459 6.570 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.852 7.879 6.533 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.666 9.522 5.876 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.301 8.219 4.845 1.00 0.00 H new ATOM 1108 N ILE A 77 -4.130 7.763 1.890 1.00 0.00 N ATOM 1109 CA ILE A 77 -5.378 7.926 1.191 1.00 0.00 C ATOM 1110 C ILE A 77 -6.537 7.362 2.009 1.00 0.00 C ATOM 1111 O ILE A 77 -6.375 6.457 2.826 1.00 0.00 O ATOM 1112 CB ILE A 77 -5.297 7.229 -0.208 1.00 0.00 C ATOM 1113 CG1 ILE A 77 -4.417 8.040 -1.168 1.00 0.00 C ATOM 1114 CG2 ILE A 77 -6.676 6.985 -0.843 1.00 0.00 C ATOM 1115 CD1 ILE A 77 -3.640 7.198 -2.166 1.00 0.00 C ATOM 0 H ILE A 77 -4.055 6.873 2.382 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.561 8.991 1.045 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.847 6.251 -0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.047 8.742 -1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.713 8.632 -0.584 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.550 6.499 -1.811 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -7.269 6.345 -0.190 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.188 7.938 -0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.045 7.849 -2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.981 6.514 -1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.336 6.625 -2.779 1.00 0.00 H new ATOM 1127 N GLN A 78 -7.687 7.961 1.781 1.00 0.00 N ATOM 1128 CA GLN A 78 -8.930 7.577 2.390 1.00 0.00 C ATOM 1129 C GLN A 78 -9.713 6.745 1.379 1.00 0.00 C ATOM 1130 O GLN A 78 -10.099 7.232 0.315 1.00 0.00 O ATOM 1131 CB GLN A 78 -9.723 8.813 2.818 1.00 0.00 C ATOM 1132 CG GLN A 78 -11.076 8.488 3.433 1.00 0.00 C ATOM 1133 CD GLN A 78 -12.144 9.452 3.009 1.00 0.00 C ATOM 1134 OE1 GLN A 78 -12.409 10.459 3.665 1.00 0.00 O ATOM 1135 NE2 GLN A 78 -12.751 9.133 1.888 1.00 0.00 N ATOM 0 H GLN A 78 -7.778 8.753 1.145 1.00 0.00 H new ATOM 0 HA GLN A 78 -8.745 6.987 3.288 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -9.133 9.381 3.538 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -9.873 9.456 1.951 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -11.368 7.478 3.147 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -10.990 8.500 4.520 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -12.487 8.284 1.389 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -13.486 9.735 1.517 1.00 0.00 H new ATOM 1144 N HIS A 79 -9.923 5.491 1.732 1.00 0.00 N ATOM 1145 CA HIS A 79 -10.630 4.531 0.888 1.00 0.00 C ATOM 1146 C HIS A 79 -12.117 4.796 0.750 1.00 0.00 C ATOM 1147 O HIS A 79 -12.653 5.775 1.279 1.00 0.00 O ATOM 1148 CB HIS A 79 -10.399 3.101 1.377 1.00 0.00 C ATOM 1149 CG HIS A 79 -9.163 2.468 0.812 1.00 0.00 C ATOM 1150 ND1 HIS A 79 -8.564 2.909 -0.347 1.00 0.00 N ATOM 1151 CD2 HIS A 79 -8.407 1.437 1.254 1.00 0.00 C ATOM 1152 CE1 HIS A 79 -7.489 2.182 -0.593 1.00 0.00 C ATOM 1153 NE2 HIS A 79 -7.372 1.281 0.365 1.00 0.00 N ATOM 0 H HIS A 79 -9.607 5.101 2.620 1.00 0.00 H new ATOM 0 HA HIS A 79 -10.204 4.659 -0.107 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -10.331 3.104 2.465 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -11.263 2.491 1.113 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -8.899 3.679 -0.926 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -8.584 0.847 2.141 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.821 2.304 -1.433 1.00 0.00 H new ATOM 1162 N ALA A 80 -12.761 3.881 0.020 1.00 0.00 N ATOM 1163 CA ALA A 80 -14.182 3.952 -0.286 1.00 0.00 C ATOM 1164 C ALA A 80 -15.093 3.868 0.942 1.00 0.00 C ATOM 1165 O ALA A 80 -16.265 4.251 0.873 1.00 0.00 O ATOM 1166 CB ALA A 80 -14.560 2.872 -1.285 1.00 0.00 C ATOM 0 H ALA A 80 -12.300 3.063 -0.377 1.00 0.00 H new ATOM 0 HA ALA A 80 -14.343 4.941 -0.716 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -15.626 2.937 -1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -13.991 3.011 -2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -14.335 1.892 -0.864 1.00 0.00 H new ATOM 1172 N ASP A 81 -14.545 3.381 2.052 1.00 0.00 N ATOM 1173 CA ASP A 81 -15.291 3.238 3.290 1.00 0.00 C ATOM 1174 C ASP A 81 -14.998 4.396 4.232 1.00 0.00 C ATOM 1175 O ASP A 81 -15.687 4.586 5.240 1.00 0.00 O ATOM 1176 CB ASP A 81 -14.968 1.916 3.959 1.00 0.00 C ATOM 1177 CG ASP A 81 -16.163 0.984 4.007 1.00 0.00 C ATOM 1178 OD1 ASP A 81 -16.319 0.171 3.071 1.00 0.00 O ATOM 1179 OD2 ASP A 81 -16.943 1.069 4.977 1.00 0.00 O ATOM 0 H ASP A 81 -13.574 3.076 2.114 1.00 0.00 H new ATOM 0 HA ASP A 81 -16.354 3.252 3.049 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -14.153 1.430 3.422 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.615 2.102 4.973 1.00 0.00 H new ATOM 1184 N GLY A 82 -13.967 5.163 3.879 1.00 0.00 N ATOM 1185 CA GLY A 82 -13.569 6.312 4.654 1.00 0.00 C ATOM 1186 C GLY A 82 -12.322 6.041 5.458 1.00 0.00 C ATOM 1187 O GLY A 82 -11.754 6.957 6.056 1.00 0.00 O ATOM 0 H GLY A 82 -13.395 4.997 3.051 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.395 7.157 3.988 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.380 6.596 5.325 1.00 0.00 H new ATOM 1191 N MET A 83 -11.886 4.772 5.451 1.00 0.00 N ATOM 1192 CA MET A 83 -10.709 4.338 6.154 1.00 0.00 C ATOM 1193 C MET A 83 -9.439 4.899 5.527 1.00 0.00 C ATOM 1194 O MET A 83 -9.462 5.364 4.385 1.00 0.00 O ATOM 1195 CB MET A 83 -10.670 2.807 6.214 1.00 0.00 C ATOM 1196 CG MET A 83 -10.973 2.071 4.908 1.00 0.00 C ATOM 1197 SD MET A 83 -11.447 0.350 5.180 1.00 0.00 S ATOM 1198 CE MET A 83 -11.594 -0.253 3.497 1.00 0.00 C ATOM 0 H MET A 83 -12.359 4.023 4.945 1.00 0.00 H new ATOM 0 HA MET A 83 -10.757 4.726 7.171 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.681 2.503 6.557 1.00 0.00 H new ATOM 0 HB3 MET A 83 -11.384 2.476 6.968 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.776 2.587 4.381 1.00 0.00 H new ATOM 0 HG3 MET A 83 -10.095 2.105 4.263 1.00 0.00 H new ATOM 0 HE1 MET A 83 -12.571 -0.718 3.361 1.00 0.00 H new ATOM 0 HE2 MET A 83 -11.488 0.580 2.802 1.00 0.00 H new ATOM 0 HE3 MET A 83 -10.813 -0.988 3.304 1.00 0.00 H new ATOM 1208 N HIS A 84 -8.337 4.850 6.270 1.00 0.00 N ATOM 1209 CA HIS A 84 -7.093 5.369 5.771 1.00 0.00 C ATOM 1210 C HIS A 84 -6.149 4.242 5.384 1.00 0.00 C ATOM 1211 O HIS A 84 -6.124 3.195 6.039 1.00 0.00 O ATOM 1212 CB HIS A 84 -6.429 6.298 6.790 1.00 0.00 C ATOM 1213 CG HIS A 84 -7.125 7.616 6.953 1.00 0.00 C ATOM 1214 ND1 HIS A 84 -6.682 8.781 6.362 1.00 0.00 N ATOM 1215 CD2 HIS A 84 -8.229 7.953 7.658 1.00 0.00 C ATOM 1216 CE1 HIS A 84 -7.484 9.776 6.698 1.00 0.00 C ATOM 1217 NE2 HIS A 84 -8.430 9.299 7.483 1.00 0.00 N ATOM 0 H HIS A 84 -8.292 4.457 7.210 1.00 0.00 H new ATOM 0 HA HIS A 84 -7.316 5.953 4.878 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -6.393 5.795 7.756 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -5.398 6.478 6.486 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -8.839 7.286 8.249 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -7.382 10.804 6.383 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -9.189 9.843 7.894 1.00 0.00 H new ATOM 1226 N THR A 85 -5.370 4.470 4.325 1.00 0.00 N ATOM 1227 CA THR A 85 -4.433 3.492 3.834 1.00 0.00 C ATOM 1228 C THR A 85 -3.134 4.169 3.461 1.00 0.00 C ATOM 1229 O THR A 85 -3.121 5.147 2.707 1.00 0.00 O ATOM 1230 CB THR A 85 -4.983 2.760 2.595 1.00 0.00 C ATOM 1231 OG1 THR A 85 -6.288 3.248 2.258 1.00 0.00 O ATOM 1232 CG2 THR A 85 -5.045 1.263 2.833 1.00 0.00 C ATOM 0 H THR A 85 -5.381 5.340 3.793 1.00 0.00 H new ATOM 0 HA THR A 85 -4.268 2.764 4.628 1.00 0.00 H new ATOM 0 HB THR A 85 -4.304 2.956 1.765 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.274 3.621 1.352 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.437 0.769 1.944 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.044 0.887 3.046 1.00 0.00 H new ATOM 0 HG23 THR A 85 -5.699 1.056 3.680 1.00 0.00 H new ATOM 1240 N GLY A 86 -2.053 3.653 4.016 1.00 0.00 N ATOM 1241 CA GLY A 86 -0.746 4.180 3.726 1.00 0.00 C ATOM 1242 C GLY A 86 0.038 3.254 2.826 1.00 0.00 C ATOM 1243 O GLY A 86 -0.195 2.039 2.810 1.00 0.00 O ATOM 0 H GLY A 86 -2.061 2.870 4.669 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.844 5.155 3.250 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -0.200 4.333 4.657 1.00 0.00 H new ATOM 1247 N TYR A 87 0.977 3.847 2.090 1.00 0.00 N ATOM 1248 CA TYR A 87 1.841 3.159 1.164 1.00 0.00 C ATOM 1249 C TYR A 87 3.200 3.837 1.339 1.00 0.00 C ATOM 1250 O TYR A 87 3.431 4.934 0.812 1.00 0.00 O ATOM 1251 CB TYR A 87 1.313 3.289 -0.300 1.00 0.00 C ATOM 1252 CG TYR A 87 -0.195 3.036 -0.510 1.00 0.00 C ATOM 1253 CD1 TYR A 87 -0.648 1.932 -1.239 1.00 0.00 C ATOM 1254 CD2 TYR A 87 -1.164 3.909 0.004 1.00 0.00 C ATOM 1255 CE1 TYR A 87 -2.009 1.712 -1.441 1.00 0.00 C ATOM 1256 CE2 TYR A 87 -2.512 3.685 -0.195 1.00 0.00 C ATOM 1257 CZ TYR A 87 -2.928 2.590 -0.916 1.00 0.00 C ATOM 1258 OH TYR A 87 -4.271 2.372 -1.115 1.00 0.00 O ATOM 0 H TYR A 87 1.154 4.851 2.132 1.00 0.00 H new ATOM 0 HA TYR A 87 1.893 2.087 1.357 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.545 4.292 -0.659 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.867 2.590 -0.927 1.00 0.00 H new ATOM 0 HD1 TYR A 87 0.069 1.238 -1.652 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.850 4.775 0.568 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.341 0.855 -2.008 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.240 4.370 0.215 1.00 0.00 H new ATOM 0 HH TYR A 87 -4.786 3.083 -0.679 1.00 0.00 H new ATOM 1268 N ALA A 88 4.082 3.216 2.127 1.00 0.00 N ATOM 1269 CA ALA A 88 5.382 3.823 2.415 1.00 0.00 C ATOM 1270 C ALA A 88 6.569 2.982 1.950 1.00 0.00 C ATOM 1271 O ALA A 88 6.412 1.840 1.511 1.00 0.00 O ATOM 1272 CB ALA A 88 5.479 4.155 3.905 1.00 0.00 C ATOM 0 H ALA A 88 3.924 2.311 2.569 1.00 0.00 H new ATOM 0 HA ALA A 88 5.441 4.743 1.834 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.449 4.607 4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.687 4.854 4.174 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.370 3.241 4.489 1.00 0.00 H new ATOM 1278 N HIS A 89 7.776 3.583 2.084 1.00 0.00 N ATOM 1279 CA HIS A 89 9.065 2.980 1.675 1.00 0.00 C ATOM 1280 C HIS A 89 9.145 2.792 0.150 1.00 0.00 C ATOM 1281 O HIS A 89 9.903 1.959 -0.353 1.00 0.00 O ATOM 1282 CB HIS A 89 9.342 1.664 2.427 1.00 0.00 C ATOM 1283 CG HIS A 89 9.674 1.876 3.874 1.00 0.00 C ATOM 1284 ND1 HIS A 89 10.783 2.580 4.298 1.00 0.00 N ATOM 1285 CD2 HIS A 89 9.024 1.497 4.997 1.00 0.00 C ATOM 1286 CE1 HIS A 89 10.796 2.623 5.619 1.00 0.00 C ATOM 1287 NE2 HIS A 89 9.740 1.974 6.064 1.00 0.00 N ATOM 0 H HIS A 89 7.881 4.515 2.486 1.00 0.00 H new ATOM 0 HA HIS A 89 9.852 3.681 1.954 1.00 0.00 H new ATOM 0 HB2 HIS A 89 8.468 1.017 2.351 1.00 0.00 H new ATOM 0 HB3 HIS A 89 10.167 1.142 1.943 1.00 0.00 H new ATOM 0 HD2 HIS A 89 8.110 0.924 5.045 1.00 0.00 H new ATOM 0 HE1 HIS A 89 11.544 3.107 6.229 1.00 0.00 H new ATOM 0 HE2 HIS A 89 9.494 1.847 7.046 1.00 0.00 H new ATOM 1296 N LEU A 90 8.361 3.610 -0.569 1.00 0.00 N ATOM 1297 CA LEU A 90 8.312 3.615 -2.029 1.00 0.00 C ATOM 1298 C LEU A 90 9.440 4.480 -2.603 1.00 0.00 C ATOM 1299 O LEU A 90 10.134 5.173 -1.852 1.00 0.00 O ATOM 1300 CB LEU A 90 6.934 4.120 -2.501 1.00 0.00 C ATOM 1301 CG LEU A 90 5.712 3.534 -1.767 1.00 0.00 C ATOM 1302 CD1 LEU A 90 4.493 4.405 -2.001 1.00 0.00 C ATOM 1303 CD2 LEU A 90 5.437 2.107 -2.216 1.00 0.00 C ATOM 0 H LEU A 90 7.737 4.294 -0.141 1.00 0.00 H new ATOM 0 HA LEU A 90 8.455 2.598 -2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.911 5.205 -2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.834 3.901 -3.564 1.00 0.00 H new ATOM 0 HG LEU A 90 5.933 3.515 -0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.636 3.980 -1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.686 5.410 -1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.279 4.452 -3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.570 1.718 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.239 2.095 -3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.305 1.484 -2.000 1.00 0.00 H new ATOM 1315 N SER A 91 9.630 4.426 -3.927 1.00 0.00 N ATOM 1316 CA SER A 91 10.668 5.191 -4.586 1.00 0.00 C ATOM 1317 C SER A 91 10.094 6.383 -5.334 1.00 0.00 C ATOM 1318 O SER A 91 10.841 7.288 -5.720 1.00 0.00 O ATOM 1319 CB SER A 91 11.463 4.310 -5.557 1.00 0.00 C ATOM 1320 OG SER A 91 12.625 4.976 -6.024 1.00 0.00 O ATOM 0 H SER A 91 9.069 3.853 -4.557 1.00 0.00 H new ATOM 0 HA SER A 91 11.336 5.561 -3.808 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.748 3.383 -5.060 1.00 0.00 H new ATOM 0 HB3 SER A 91 10.833 4.037 -6.403 1.00 0.00 H new ATOM 0 HG SER A 91 12.448 5.938 -6.086 1.00 0.00 H new ATOM 1326 N LYS A 92 8.762 6.400 -5.526 1.00 0.00 N ATOM 1327 CA LYS A 92 8.117 7.470 -6.257 1.00 0.00 C ATOM 1328 C LYS A 92 6.610 7.466 -6.085 1.00 0.00 C ATOM 1329 O LYS A 92 5.997 6.448 -5.748 1.00 0.00 O ATOM 1330 CB LYS A 92 8.451 7.383 -7.745 1.00 0.00 C ATOM 1331 CG LYS A 92 8.953 8.682 -8.310 1.00 0.00 C ATOM 1332 CD LYS A 92 9.396 8.506 -9.750 1.00 0.00 C ATOM 1333 CE LYS A 92 9.893 9.810 -10.357 1.00 0.00 C ATOM 1334 NZ LYS A 92 11.245 10.186 -9.849 1.00 0.00 N ATOM 0 H LYS A 92 8.126 5.681 -5.181 1.00 0.00 H new ATOM 0 HA LYS A 92 8.501 8.402 -5.842 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.205 6.611 -7.898 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.562 7.074 -8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.167 9.435 -8.256 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.787 9.047 -7.710 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.189 7.759 -9.797 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.563 8.125 -10.341 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.928 9.714 -11.442 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.186 10.608 -10.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.545 11.080 -10.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.208 10.303 -8.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.926 9.437 -10.088 1.00 0.00 H new ATOM 1348 N ILE A 93 6.045 8.637 -6.334 1.00 0.00 N ATOM 1349 CA ILE A 93 4.622 8.876 -6.258 1.00 0.00 C ATOM 1350 C ILE A 93 4.102 9.478 -7.559 1.00 0.00 C ATOM 1351 O ILE A 93 4.805 10.224 -8.246 1.00 0.00 O ATOM 1352 CB ILE A 93 4.283 9.804 -5.055 1.00 0.00 C ATOM 1353 CG1 ILE A 93 3.852 8.999 -3.833 1.00 0.00 C ATOM 1354 CG2 ILE A 93 3.238 10.853 -5.377 1.00 0.00 C ATOM 1355 CD1 ILE A 93 5.007 8.571 -2.947 1.00 0.00 C ATOM 0 H ILE A 93 6.580 9.463 -6.600 1.00 0.00 H new ATOM 0 HA ILE A 93 4.127 7.917 -6.104 1.00 0.00 H new ATOM 0 HB ILE A 93 5.209 10.333 -4.829 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.155 9.595 -3.244 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.312 8.112 -4.165 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.051 11.464 -4.494 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.597 11.487 -6.187 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.313 10.364 -5.682 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.624 8.003 -2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.694 7.948 -3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.534 9.454 -2.585 1.00 0.00 H new ATOM 1367 N SER A 94 2.865 9.126 -7.870 1.00 0.00 N ATOM 1368 CA SER A 94 2.172 9.622 -9.036 1.00 0.00 C ATOM 1369 C SER A 94 1.035 10.542 -8.612 1.00 0.00 C ATOM 1370 O SER A 94 0.382 11.175 -9.450 1.00 0.00 O ATOM 1371 CB SER A 94 1.581 8.463 -9.809 1.00 0.00 C ATOM 1372 OG SER A 94 1.367 8.799 -11.170 1.00 0.00 O ATOM 0 H SER A 94 2.311 8.479 -7.309 1.00 0.00 H new ATOM 0 HA SER A 94 2.882 10.168 -9.657 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.249 7.604 -9.746 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.636 8.165 -9.354 1.00 0.00 H new ATOM 0 HG SER A 94 0.949 9.683 -11.227 1.00 0.00 H new ATOM 1378 N VAL A 95 0.810 10.602 -7.298 1.00 0.00 N ATOM 1379 CA VAL A 95 -0.246 11.361 -6.732 1.00 0.00 C ATOM 1380 C VAL A 95 0.234 12.678 -6.122 1.00 0.00 C ATOM 1381 O VAL A 95 1.408 13.044 -6.221 1.00 0.00 O ATOM 1382 CB VAL A 95 -1.043 10.544 -5.684 1.00 0.00 C ATOM 1383 CG1 VAL A 95 -2.224 9.850 -6.339 1.00 0.00 C ATOM 1384 CG2 VAL A 95 -0.171 9.533 -4.938 1.00 0.00 C ATOM 0 H VAL A 95 1.378 10.109 -6.609 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.912 11.607 -7.559 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.411 11.252 -4.941 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.773 9.281 -5.589 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.884 10.596 -6.783 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.864 9.175 -7.116 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.781 8.989 -4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.262 8.831 -5.650 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.628 10.058 -4.415 1.00 0.00 H new ATOM 1394 N SER A 96 -0.710 13.375 -5.492 1.00 0.00 N ATOM 1395 CA SER A 96 -0.487 14.658 -4.867 1.00 0.00 C ATOM 1396 C SER A 96 -1.463 14.824 -3.727 1.00 0.00 C ATOM 1397 O SER A 96 -2.631 14.448 -3.837 1.00 0.00 O ATOM 1398 CB SER A 96 -0.654 15.810 -5.869 1.00 0.00 C ATOM 1399 OG SER A 96 0.247 15.680 -6.954 1.00 0.00 O ATOM 0 H SER A 96 -1.672 13.047 -5.405 1.00 0.00 H new ATOM 0 HA SER A 96 0.537 14.690 -4.495 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.678 15.825 -6.243 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.485 16.761 -5.365 1.00 0.00 H new ATOM 0 HG SER A 96 0.118 16.425 -7.577 1.00 0.00 H new ATOM 1405 N THR A 97 -0.973 15.400 -2.638 1.00 0.00 N ATOM 1406 CA THR A 97 -1.768 15.636 -1.435 1.00 0.00 C ATOM 1407 C THR A 97 -3.042 16.441 -1.752 1.00 0.00 C ATOM 1408 O THR A 97 -2.971 17.475 -2.422 1.00 0.00 O ATOM 1409 CB THR A 97 -0.937 16.386 -0.369 1.00 0.00 C ATOM 1410 OG1 THR A 97 0.379 15.823 -0.286 1.00 0.00 O ATOM 1411 CG2 THR A 97 -1.591 16.331 1.010 1.00 0.00 C ATOM 0 H THR A 97 -0.007 15.720 -2.561 1.00 0.00 H new ATOM 0 HA THR A 97 -2.061 14.662 -1.044 1.00 0.00 H new ATOM 0 HB THR A 97 -0.882 17.430 -0.679 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.899 16.305 0.390 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.973 16.871 1.728 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.578 16.791 0.963 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.689 15.292 1.325 1.00 0.00 H new ATOM 1419 N ASP A 98 -4.195 15.919 -1.288 1.00 0.00 N ATOM 1420 CA ASP A 98 -5.532 16.540 -1.463 1.00 0.00 C ATOM 1421 C ASP A 98 -6.174 16.154 -2.801 1.00 0.00 C ATOM 1422 O ASP A 98 -7.334 16.497 -3.052 1.00 0.00 O ATOM 1423 CB ASP A 98 -5.501 18.076 -1.307 1.00 0.00 C ATOM 1424 CG ASP A 98 -6.410 18.563 -0.196 1.00 0.00 C ATOM 1425 OD1 ASP A 98 -5.949 18.627 0.962 1.00 0.00 O ATOM 1426 OD2 ASP A 98 -7.583 18.880 -0.484 1.00 0.00 O ATOM 0 H ASP A 98 -4.229 15.040 -0.772 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.150 16.141 -0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.479 18.397 -1.104 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.800 18.540 -2.247 1.00 0.00 H new ATOM 1431 N SER A 99 -5.429 15.421 -3.650 1.00 0.00 N ATOM 1432 CA SER A 99 -5.936 14.979 -4.936 1.00 0.00 C ATOM 1433 C SER A 99 -6.810 13.745 -4.775 1.00 0.00 C ATOM 1434 O SER A 99 -6.645 12.982 -3.823 1.00 0.00 O ATOM 1435 CB SER A 99 -4.780 14.653 -5.875 1.00 0.00 C ATOM 1436 OG SER A 99 -3.927 15.772 -6.050 1.00 0.00 O ATOM 0 H SER A 99 -4.472 15.128 -3.455 1.00 0.00 H new ATOM 0 HA SER A 99 -6.534 15.787 -5.358 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.208 13.816 -5.474 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.172 14.337 -6.842 1.00 0.00 H new ATOM 0 HG SER A 99 -3.774 15.920 -7.007 1.00 0.00 H new ATOM 1442 N THR A 100 -7.751 13.569 -5.696 1.00 0.00 N ATOM 1443 CA THR A 100 -8.631 12.420 -5.685 1.00 0.00 C ATOM 1444 C THR A 100 -7.997 11.232 -6.380 1.00 0.00 C ATOM 1445 O THR A 100 -7.262 11.389 -7.361 1.00 0.00 O ATOM 1446 CB THR A 100 -9.984 12.707 -6.340 1.00 0.00 C ATOM 1447 OG1 THR A 100 -9.815 13.491 -7.528 1.00 0.00 O ATOM 1448 CG2 THR A 100 -10.897 13.422 -5.365 1.00 0.00 C ATOM 0 H THR A 100 -7.920 14.218 -6.464 1.00 0.00 H new ATOM 0 HA THR A 100 -8.798 12.188 -4.633 1.00 0.00 H new ATOM 0 HB THR A 100 -10.440 11.757 -6.617 1.00 0.00 H new ATOM 0 HG1 THR A 100 -10.690 13.663 -7.934 1.00 0.00 H new ATOM 0 HG21 THR A 100 -11.856 13.620 -5.843 1.00 0.00 H new ATOM 0 HG22 THR A 100 -11.052 12.796 -4.486 1.00 0.00 H new ATOM 0 HG23 THR A 100 -10.440 14.365 -5.063 1.00 0.00 H new ATOM 1456 N VAL A 101 -8.290 10.049 -5.860 1.00 0.00 N ATOM 1457 CA VAL A 101 -7.758 8.829 -6.390 1.00 0.00 C ATOM 1458 C VAL A 101 -8.848 7.824 -6.734 1.00 0.00 C ATOM 1459 O VAL A 101 -10.009 7.977 -6.343 1.00 0.00 O ATOM 1460 CB VAL A 101 -6.766 8.157 -5.422 1.00 0.00 C ATOM 1461 CG1 VAL A 101 -5.338 8.453 -5.835 1.00 0.00 C ATOM 1462 CG2 VAL A 101 -7.007 8.551 -3.968 1.00 0.00 C ATOM 0 H VAL A 101 -8.906 9.921 -5.057 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.235 9.118 -7.301 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.935 7.082 -5.485 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.651 7.970 -5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.164 8.072 -6.841 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.171 9.530 -5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.280 8.049 -3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -6.899 9.630 -3.861 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.014 8.256 -3.673 1.00 0.00 H new ATOM 1472 N LYS A 102 -8.431 6.780 -7.454 1.00 0.00 N ATOM 1473 CA LYS A 102 -9.279 5.714 -7.880 1.00 0.00 C ATOM 1474 C LYS A 102 -8.551 4.394 -7.744 1.00 0.00 C ATOM 1475 O LYS A 102 -7.333 4.312 -7.890 1.00 0.00 O ATOM 1476 CB LYS A 102 -9.735 5.946 -9.306 1.00 0.00 C ATOM 1477 CG LYS A 102 -10.961 5.132 -9.696 1.00 0.00 C ATOM 1478 CD LYS A 102 -11.263 5.215 -11.183 1.00 0.00 C ATOM 1479 CE LYS A 102 -12.520 4.433 -11.529 1.00 0.00 C ATOM 1480 NZ LYS A 102 -12.837 4.495 -12.982 1.00 0.00 N ATOM 0 H LYS A 102 -7.463 6.669 -7.755 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.166 5.682 -7.247 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.955 7.005 -9.440 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -8.917 5.702 -9.984 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.805 4.090 -9.417 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.824 5.487 -9.132 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.388 6.258 -11.475 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -10.419 4.824 -11.751 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.393 3.392 -11.231 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.360 4.828 -10.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -13.701 3.948 -13.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.985 5.485 -13.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.047 4.095 -13.527 1.00 0.00 H new ATOM 1494 N GLN A 103 -9.338 3.365 -7.477 1.00 0.00 N ATOM 1495 CA GLN A 103 -8.855 2.008 -7.299 1.00 0.00 C ATOM 1496 C GLN A 103 -8.096 1.518 -8.535 1.00 0.00 C ATOM 1497 O GLN A 103 -8.494 1.774 -9.674 1.00 0.00 O ATOM 1498 CB GLN A 103 -10.037 1.083 -6.987 1.00 0.00 C ATOM 1499 CG GLN A 103 -9.662 -0.246 -6.320 1.00 0.00 C ATOM 1500 CD GLN A 103 -9.437 -1.361 -7.312 1.00 0.00 C ATOM 1501 OE1 GLN A 103 -9.557 -2.542 -6.982 1.00 0.00 O ATOM 1502 NE2 GLN A 103 -9.128 -0.992 -8.538 1.00 0.00 N ATOM 0 H GLN A 103 -10.349 3.452 -7.376 1.00 0.00 H new ATOM 0 HA GLN A 103 -8.155 1.995 -6.463 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -10.733 1.614 -6.338 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -10.567 0.869 -7.915 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -8.758 -0.106 -5.727 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -10.454 -0.536 -5.629 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -9.039 -0.002 -8.765 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -8.977 -1.697 -9.260 1.00 0.00 H new ATOM 1511 N GLY A 104 -6.997 0.823 -8.264 1.00 0.00 N ATOM 1512 CA GLY A 104 -6.141 0.264 -9.299 1.00 0.00 C ATOM 1513 C GLY A 104 -5.245 1.282 -9.978 1.00 0.00 C ATOM 1514 O GLY A 104 -4.386 0.915 -10.781 1.00 0.00 O ATOM 0 H GLY A 104 -6.675 0.632 -7.315 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -5.519 -0.516 -8.859 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.766 -0.214 -10.053 1.00 0.00 H new ATOM 1518 N GLN A 105 -5.455 2.561 -9.659 1.00 0.00 N ATOM 1519 CA GLN A 105 -4.680 3.655 -10.223 1.00 0.00 C ATOM 1520 C GLN A 105 -3.283 3.651 -9.651 1.00 0.00 C ATOM 1521 O GLN A 105 -3.079 3.332 -8.480 1.00 0.00 O ATOM 1522 CB GLN A 105 -5.398 4.978 -9.942 1.00 0.00 C ATOM 1523 CG GLN A 105 -4.839 6.213 -10.634 1.00 0.00 C ATOM 1524 CD GLN A 105 -5.774 7.394 -10.475 1.00 0.00 C ATOM 1525 OE1 GLN A 105 -6.538 7.724 -11.382 1.00 0.00 O ATOM 1526 NE2 GLN A 105 -5.737 8.015 -9.303 1.00 0.00 N ATOM 0 H GLN A 105 -6.172 2.862 -8.999 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.593 3.531 -11.302 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -6.443 4.868 -10.232 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -5.383 5.153 -8.866 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.863 6.458 -10.215 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -4.688 6.004 -11.693 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.086 7.705 -8.582 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -6.360 8.803 -9.123 1.00 0.00 H new ATOM 1535 N ILE A 106 -2.331 3.985 -10.505 1.00 0.00 N ATOM 1536 CA ILE A 106 -0.947 4.019 -10.114 1.00 0.00 C ATOM 1537 C ILE A 106 -0.702 5.225 -9.216 1.00 0.00 C ATOM 1538 O ILE A 106 -0.601 6.368 -9.670 1.00 0.00 O ATOM 1539 CB ILE A 106 0.014 3.979 -11.320 1.00 0.00 C ATOM 1540 CG1 ILE A 106 -0.090 2.614 -12.029 1.00 0.00 C ATOM 1541 CG2 ILE A 106 1.467 4.255 -10.900 1.00 0.00 C ATOM 1542 CD1 ILE A 106 0.273 2.639 -13.503 1.00 0.00 C ATOM 0 H ILE A 106 -2.501 4.237 -11.479 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.729 3.113 -9.548 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.282 4.768 -12.011 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.562 1.904 -11.520 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.109 2.242 -11.925 1.00 0.00 H new ATOM 0 HG21 ILE A 106 2.113 4.218 -11.777 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.532 5.242 -10.443 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.788 3.501 -10.182 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.171 1.637 -13.920 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.394 3.321 -14.031 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.303 2.977 -13.618 1.00 0.00 H new ATOM 1554 N ILE A 107 -0.652 4.920 -7.934 1.00 0.00 N ATOM 1555 CA ILE A 107 -0.454 5.893 -6.891 1.00 0.00 C ATOM 1556 C ILE A 107 1.021 6.042 -6.482 1.00 0.00 C ATOM 1557 O ILE A 107 1.350 6.892 -5.648 1.00 0.00 O ATOM 1558 CB ILE A 107 -1.313 5.546 -5.648 1.00 0.00 C ATOM 1559 CG1 ILE A 107 -1.402 4.029 -5.392 1.00 0.00 C ATOM 1560 CG2 ILE A 107 -2.712 6.121 -5.794 1.00 0.00 C ATOM 1561 CD1 ILE A 107 -0.554 3.552 -4.238 1.00 0.00 C ATOM 0 H ILE A 107 -0.751 3.966 -7.587 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.773 6.851 -7.301 1.00 0.00 H new ATOM 0 HB ILE A 107 -0.815 5.995 -4.789 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -2.442 3.763 -5.200 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -1.099 3.500 -6.296 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -3.303 5.869 -4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.651 7.205 -5.892 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -3.187 5.702 -6.681 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.671 2.475 -4.122 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.493 3.784 -4.435 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.871 4.052 -3.323 1.00 0.00 H new ATOM 1573 N GLY A 108 1.894 5.214 -7.069 1.00 0.00 N ATOM 1574 CA GLY A 108 3.303 5.283 -6.791 1.00 0.00 C ATOM 1575 C GLY A 108 4.073 4.124 -7.382 1.00 0.00 C ATOM 1576 O GLY A 108 3.560 3.369 -8.210 1.00 0.00 O ATOM 0 H GLY A 108 1.631 4.492 -7.740 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.702 6.217 -7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.455 5.302 -5.712 1.00 0.00 H new ATOM 1580 N TYR A 109 5.316 4.025 -6.947 1.00 0.00 N ATOM 1581 CA TYR A 109 6.253 3.000 -7.355 1.00 0.00 C ATOM 1582 C TYR A 109 7.034 2.561 -6.127 1.00 0.00 C ATOM 1583 O TYR A 109 7.513 3.405 -5.361 1.00 0.00 O ATOM 1584 CB TYR A 109 7.227 3.509 -8.433 1.00 0.00 C ATOM 1585 CG TYR A 109 6.565 4.135 -9.647 1.00 0.00 C ATOM 1586 CD1 TYR A 109 6.420 3.425 -10.833 1.00 0.00 C ATOM 1587 CD2 TYR A 109 6.090 5.439 -9.602 1.00 0.00 C ATOM 1588 CE1 TYR A 109 5.821 3.999 -11.939 1.00 0.00 C ATOM 1589 CE2 TYR A 109 5.487 6.020 -10.702 1.00 0.00 C ATOM 1590 CZ TYR A 109 5.356 5.296 -11.868 1.00 0.00 C ATOM 1591 OH TYR A 109 4.757 5.869 -12.966 1.00 0.00 O ATOM 0 H TYR A 109 5.713 4.682 -6.275 1.00 0.00 H new ATOM 0 HA TYR A 109 5.699 2.167 -7.788 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.894 4.243 -7.982 1.00 0.00 H new ATOM 0 HB3 TYR A 109 7.847 2.676 -8.764 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.781 2.409 -10.892 1.00 0.00 H new ATOM 0 HD2 TYR A 109 6.194 6.010 -8.691 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.718 3.435 -12.854 1.00 0.00 H new ATOM 0 HE2 TYR A 109 5.121 7.035 -10.648 1.00 0.00 H new ATOM 0 HH TYR A 109 4.485 6.785 -12.749 1.00 0.00 H new ATOM 1601 N THR A 110 7.176 1.245 -5.961 1.00 0.00 N ATOM 1602 CA THR A 110 7.874 0.642 -4.814 1.00 0.00 C ATOM 1603 C THR A 110 9.312 1.146 -4.674 1.00 0.00 C ATOM 1604 O THR A 110 9.941 1.498 -5.678 1.00 0.00 O ATOM 1605 CB THR A 110 7.880 -0.895 -4.916 1.00 0.00 C ATOM 1606 OG1 THR A 110 7.648 -1.315 -6.268 1.00 0.00 O ATOM 1607 CG2 THR A 110 6.830 -1.507 -4.000 1.00 0.00 C ATOM 0 H THR A 110 6.809 0.559 -6.621 1.00 0.00 H new ATOM 0 HA THR A 110 7.321 0.947 -3.926 1.00 0.00 H new ATOM 0 HB THR A 110 8.864 -1.243 -4.601 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.053 -2.196 -6.411 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.856 -2.593 -4.092 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.038 -1.225 -2.968 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.843 -1.142 -4.283 1.00 0.00 H new ATOM 1615 N GLY A 111 9.829 1.183 -3.431 1.00 0.00 N ATOM 1616 CA GLY A 111 11.178 1.670 -3.221 1.00 0.00 C ATOM 1617 C GLY A 111 11.899 0.974 -2.104 1.00 0.00 C ATOM 1618 O GLY A 111 11.417 -0.025 -1.563 1.00 0.00 O ATOM 0 H GLY A 111 9.338 0.887 -2.587 1.00 0.00 H new ATOM 0 HA2 GLY A 111 11.747 1.547 -4.142 1.00 0.00 H new ATOM 0 HA3 GLY A 111 11.141 2.739 -3.009 1.00 0.00 H new ATOM 1622 N ALA A 112 13.066 1.516 -1.761 1.00 0.00 N ATOM 1623 CA ALA A 112 13.882 0.985 -0.699 1.00 0.00 C ATOM 1624 C ALA A 112 14.562 2.140 0.043 1.00 0.00 C ATOM 1625 O ALA A 112 15.752 2.081 0.383 1.00 0.00 O ATOM 1626 CB ALA A 112 14.910 -0.010 -1.246 1.00 0.00 C ATOM 0 H ALA A 112 13.463 2.336 -2.219 1.00 0.00 H new ATOM 0 HA ALA A 112 13.250 0.441 0.003 1.00 0.00 H new ATOM 0 HB1 ALA A 112 15.514 -0.397 -0.425 1.00 0.00 H new ATOM 0 HB2 ALA A 112 14.393 -0.835 -1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 112 15.556 0.493 -1.966 1.00 0.00 H new ATOM 1632 N THR A 113 13.777 3.193 0.295 1.00 0.00 N ATOM 1633 CA THR A 113 14.266 4.403 0.957 1.00 0.00 C ATOM 1634 C THR A 113 14.318 4.267 2.490 1.00 0.00 C ATOM 1635 O THR A 113 14.728 5.203 3.187 1.00 0.00 O ATOM 1636 CB THR A 113 13.394 5.625 0.587 1.00 0.00 C ATOM 1637 OG1 THR A 113 12.013 5.337 0.837 1.00 0.00 O ATOM 1638 CG2 THR A 113 13.572 6.009 -0.878 1.00 0.00 C ATOM 0 H THR A 113 12.788 3.229 0.046 1.00 0.00 H new ATOM 0 HA THR A 113 15.285 4.550 0.599 1.00 0.00 H new ATOM 0 HB THR A 113 13.715 6.463 1.206 1.00 0.00 H new ATOM 0 HG1 THR A 113 11.870 5.231 1.801 1.00 0.00 H new ATOM 0 HG21 THR A 113 12.946 6.871 -1.107 1.00 0.00 H new ATOM 0 HG22 THR A 113 14.616 6.259 -1.064 1.00 0.00 H new ATOM 0 HG23 THR A 113 13.281 5.171 -1.512 1.00 0.00 H new ATOM 1700 N GLY A 118 16.793 -4.520 1.577 1.00 0.00 N ATOM 1701 CA GLY A 118 16.300 -4.439 0.210 1.00 0.00 C ATOM 1702 C GLY A 118 15.025 -3.607 0.080 1.00 0.00 C ATOM 1703 O GLY A 118 14.653 -2.913 1.025 1.00 0.00 O ATOM 0 HA2 GLY A 118 17.074 -4.007 -0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 118 16.109 -5.446 -0.161 1.00 0.00 H new ATOM 1707 N PRO A 119 14.327 -3.653 -1.095 1.00 0.00 N ATOM 1708 CA PRO A 119 13.072 -2.895 -1.334 1.00 0.00 C ATOM 1709 C PRO A 119 11.907 -3.425 -0.498 1.00 0.00 C ATOM 1710 O PRO A 119 11.849 -4.624 -0.210 1.00 0.00 O ATOM 1711 CB PRO A 119 12.823 -3.098 -2.842 1.00 0.00 C ATOM 1712 CG PRO A 119 14.126 -3.581 -3.381 1.00 0.00 C ATOM 1713 CD PRO A 119 14.703 -4.421 -2.295 1.00 0.00 C ATOM 0 HA PRO A 119 13.155 -1.847 -1.047 1.00 0.00 H new ATOM 0 HB2 PRO A 119 12.029 -3.824 -3.018 1.00 0.00 H new ATOM 0 HB3 PRO A 119 12.517 -2.168 -3.321 1.00 0.00 H new ATOM 0 HG2 PRO A 119 13.986 -4.158 -4.295 1.00 0.00 H new ATOM 0 HG3 PRO A 119 14.784 -2.748 -3.628 1.00 0.00 H new ATOM 0 HD2 PRO A 119 14.282 -5.426 -2.287 1.00 0.00 H new ATOM 0 HD3 PRO A 119 15.783 -4.529 -2.391 1.00 0.00 H new ATOM 1721 N HIS A 120 10.987 -2.524 -0.087 1.00 0.00 N ATOM 1722 CA HIS A 120 9.859 -2.901 0.735 1.00 0.00 C ATOM 1723 C HIS A 120 8.630 -2.040 0.494 1.00 0.00 C ATOM 1724 O HIS A 120 8.699 -0.923 -0.023 1.00 0.00 O ATOM 1725 CB HIS A 120 10.237 -2.860 2.227 1.00 0.00 C ATOM 1726 CG HIS A 120 10.796 -4.146 2.737 1.00 0.00 C ATOM 1727 ND1 HIS A 120 12.145 -4.365 2.921 1.00 0.00 N ATOM 1728 CD2 HIS A 120 10.178 -5.293 3.102 1.00 0.00 C ATOM 1729 CE1 HIS A 120 12.332 -5.592 3.375 1.00 0.00 C ATOM 1730 NE2 HIS A 120 11.153 -6.174 3.493 1.00 0.00 N ATOM 0 H HIS A 120 11.021 -1.532 -0.322 1.00 0.00 H new ATOM 0 HA HIS A 120 9.600 -3.920 0.446 1.00 0.00 H new ATOM 0 HB2 HIS A 120 10.968 -2.067 2.386 1.00 0.00 H new ATOM 0 HB3 HIS A 120 9.353 -2.601 2.810 1.00 0.00 H new ATOM 0 HD1 HIS A 120 12.883 -3.686 2.736 1.00 0.00 H new ATOM 0 HD2 HIS A 120 9.114 -5.480 3.088 1.00 0.00 H new ATOM 0 HE1 HIS A 120 13.286 -6.041 3.609 1.00 0.00 H new ATOM 1739 N LEU A 121 7.511 -2.636 0.875 1.00 0.00 N ATOM 1740 CA LEU A 121 6.198 -2.061 0.782 1.00 0.00 C ATOM 1741 C LEU A 121 5.583 -1.983 2.166 1.00 0.00 C ATOM 1742 O LEU A 121 5.508 -2.980 2.888 1.00 0.00 O ATOM 1743 CB LEU A 121 5.314 -2.887 -0.177 1.00 0.00 C ATOM 1744 CG LEU A 121 3.781 -2.747 -0.044 1.00 0.00 C ATOM 1745 CD1 LEU A 121 3.301 -1.371 -0.501 1.00 0.00 C ATOM 1746 CD2 LEU A 121 3.080 -3.836 -0.841 1.00 0.00 C ATOM 0 H LEU A 121 7.504 -3.575 1.274 1.00 0.00 H new ATOM 0 HA LEU A 121 6.271 -1.052 0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.587 -2.620 -1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.567 -3.939 -0.044 1.00 0.00 H new ATOM 0 HG LEU A 121 3.529 -2.856 1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 121 2.218 -1.309 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 121 3.771 -0.600 0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 121 3.571 -1.220 -1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 121 2.001 -3.725 -0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 121 3.355 -3.751 -1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 121 3.382 -4.814 -0.465 1.00 0.00 H new ATOM 1758 N HIS A 122 5.174 -0.786 2.522 1.00 0.00 N ATOM 1759 CA HIS A 122 4.546 -0.538 3.788 1.00 0.00 C ATOM 1760 C HIS A 122 3.074 -0.201 3.578 1.00 0.00 C ATOM 1761 O HIS A 122 2.731 0.880 3.089 1.00 0.00 O ATOM 1762 CB HIS A 122 5.290 0.569 4.576 1.00 0.00 C ATOM 1763 CG HIS A 122 4.526 1.136 5.753 1.00 0.00 C ATOM 1764 ND1 HIS A 122 4.783 0.729 7.042 1.00 0.00 N ATOM 1765 CD2 HIS A 122 3.472 1.995 5.765 1.00 0.00 C ATOM 1766 CE1 HIS A 122 3.871 1.330 7.799 1.00 0.00 C ATOM 1767 NE2 HIS A 122 3.063 2.104 7.065 1.00 0.00 N ATOM 0 H HIS A 122 5.271 0.042 1.935 1.00 0.00 H new ATOM 0 HA HIS A 122 4.602 -1.442 4.394 1.00 0.00 H new ATOM 0 HB2 HIS A 122 6.236 0.165 4.936 1.00 0.00 H new ATOM 0 HB3 HIS A 122 5.531 1.383 3.892 1.00 0.00 H new ATOM 0 HD1 HIS A 122 5.521 0.097 7.352 1.00 0.00 H new ATOM 0 HD2 HIS A 122 3.040 2.496 4.911 1.00 0.00 H new ATOM 0 HE1 HIS A 122 3.792 1.209 8.869 1.00 0.00 H new ATOM 1775 N PHE A 123 2.227 -1.118 4.009 1.00 0.00 N ATOM 1776 CA PHE A 123 0.789 -0.969 3.891 1.00 0.00 C ATOM 1777 C PHE A 123 0.165 -0.888 5.284 1.00 0.00 C ATOM 1778 O PHE A 123 0.183 -1.855 6.055 1.00 0.00 O ATOM 1779 CB PHE A 123 0.199 -2.146 3.096 1.00 0.00 C ATOM 1780 CG PHE A 123 -1.224 -1.957 2.639 1.00 0.00 C ATOM 1781 CD1 PHE A 123 -1.512 -1.326 1.440 1.00 0.00 C ATOM 1782 CD2 PHE A 123 -2.271 -2.431 3.410 1.00 0.00 C ATOM 1783 CE1 PHE A 123 -2.819 -1.174 1.021 1.00 0.00 C ATOM 1784 CE2 PHE A 123 -3.579 -2.280 2.999 1.00 0.00 C ATOM 1785 CZ PHE A 123 -3.854 -1.652 1.801 1.00 0.00 C ATOM 0 H PHE A 123 2.518 -1.989 4.452 1.00 0.00 H new ATOM 0 HA PHE A 123 0.564 -0.048 3.353 1.00 0.00 H new ATOM 0 HB2 PHE A 123 0.825 -2.324 2.221 1.00 0.00 H new ATOM 0 HB3 PHE A 123 0.250 -3.043 3.713 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -0.707 -0.949 0.827 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -2.061 -2.926 4.347 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -3.032 -0.682 0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -4.386 -2.652 3.613 1.00 0.00 H new ATOM 0 HZ PHE A 123 -4.877 -1.535 1.474 1.00 0.00 H new ATOM 1795 N GLU A 124 -0.363 0.285 5.584 1.00 0.00 N ATOM 1796 CA GLU A 124 -1.008 0.571 6.825 1.00 0.00 C ATOM 1797 C GLU A 124 -2.447 0.954 6.538 1.00 0.00 C ATOM 1798 O GLU A 124 -2.747 1.644 5.568 1.00 0.00 O ATOM 1799 CB GLU A 124 -0.270 1.704 7.551 1.00 0.00 C ATOM 1800 CG GLU A 124 -0.428 1.693 9.065 1.00 0.00 C ATOM 1801 CD GLU A 124 0.314 2.836 9.733 1.00 0.00 C ATOM 1802 OE1 GLU A 124 -0.353 3.717 10.315 1.00 0.00 O ATOM 1803 OE2 GLU A 124 1.562 2.853 9.669 1.00 0.00 O ATOM 0 H GLU A 124 -0.347 1.079 4.944 1.00 0.00 H new ATOM 0 HA GLU A 124 -0.990 -0.305 7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 124 0.791 1.643 7.309 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -0.630 2.659 7.168 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -1.487 1.754 9.317 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -0.060 0.745 9.459 1.00 0.00 H new ATOM 1810 N MET A 125 -3.317 0.477 7.385 1.00 0.00 N ATOM 1811 CA MET A 125 -4.727 0.714 7.291 1.00 0.00 C ATOM 1812 C MET A 125 -5.244 1.123 8.650 1.00 0.00 C ATOM 1813 O MET A 125 -4.896 0.535 9.678 1.00 0.00 O ATOM 1814 CB MET A 125 -5.418 -0.534 6.757 1.00 0.00 C ATOM 1815 CG MET A 125 -6.911 -0.648 7.059 1.00 0.00 C ATOM 1816 SD MET A 125 -7.909 0.513 6.113 1.00 0.00 S ATOM 1817 CE MET A 125 -8.255 -0.462 4.656 1.00 0.00 C ATOM 0 H MET A 125 -3.055 -0.104 8.182 1.00 0.00 H new ATOM 0 HA MET A 125 -4.940 1.524 6.594 1.00 0.00 H new ATOM 0 HB2 MET A 125 -5.282 -0.567 5.676 1.00 0.00 H new ATOM 0 HB3 MET A 125 -4.915 -1.409 7.169 1.00 0.00 H new ATOM 0 HG2 MET A 125 -7.243 -1.664 6.844 1.00 0.00 H new ATOM 0 HG3 MET A 125 -7.075 -0.477 8.123 1.00 0.00 H new ATOM 0 HE1 MET A 125 -8.868 0.119 3.967 1.00 0.00 H new ATOM 0 HE2 MET A 125 -7.318 -0.733 4.169 1.00 0.00 H new ATOM 0 HE3 MET A 125 -8.790 -1.367 4.943 1.00 0.00 H new ATOM 1827 N LEU A 126 -6.090 2.125 8.613 1.00 0.00 N ATOM 1828 CA LEU A 126 -6.678 2.702 9.796 1.00 0.00 C ATOM 1829 C LEU A 126 -8.131 3.129 9.520 1.00 0.00 C ATOM 1830 O LEU A 126 -8.539 3.176 8.359 1.00 0.00 O ATOM 1831 CB LEU A 126 -5.864 3.942 10.217 1.00 0.00 C ATOM 1832 CG LEU A 126 -4.714 3.692 11.192 1.00 0.00 C ATOM 1833 CD1 LEU A 126 -3.413 3.451 10.443 1.00 0.00 C ATOM 1834 CD2 LEU A 126 -4.576 4.863 12.148 1.00 0.00 C ATOM 0 H LEU A 126 -6.393 2.568 7.746 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.669 1.957 10.591 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.457 4.407 9.319 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.546 4.663 10.668 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.938 2.796 11.770 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.609 3.275 11.158 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.521 2.580 9.797 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.175 4.325 9.837 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -3.754 4.674 12.838 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.374 5.773 11.582 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.502 4.984 12.711 1.00 0.00 H new ATOM 1846 N PRO A 127 -8.952 3.417 10.574 1.00 0.00 N ATOM 1847 CA PRO A 127 -10.333 3.900 10.405 1.00 0.00 C ATOM 1848 C PRO A 127 -10.402 5.249 9.718 1.00 0.00 C ATOM 1849 O PRO A 127 -9.375 5.830 9.360 1.00 0.00 O ATOM 1850 CB PRO A 127 -10.845 4.096 11.834 1.00 0.00 C ATOM 1851 CG PRO A 127 -9.637 4.098 12.697 1.00 0.00 C ATOM 1852 CD PRO A 127 -8.637 3.239 12.001 1.00 0.00 C ATOM 0 HA PRO A 127 -10.902 3.196 9.798 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -11.395 5.033 11.928 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -11.528 3.296 12.118 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -9.256 5.110 12.833 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -9.865 3.707 13.689 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -7.617 3.550 12.227 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -8.727 2.196 12.303 1.00 0.00 H new ATOM 1860 N ALA A 128 -11.629 5.747 9.567 1.00 0.00 N ATOM 1861 CA ALA A 128 -11.849 7.054 9.005 1.00 0.00 C ATOM 1862 C ALA A 128 -11.415 8.114 10.014 1.00 0.00 C ATOM 1863 O ALA A 128 -11.000 9.217 9.647 1.00 0.00 O ATOM 1864 CB ALA A 128 -13.311 7.236 8.642 1.00 0.00 C ATOM 0 H ALA A 128 -12.481 5.253 9.831 1.00 0.00 H new ATOM 0 HA ALA A 128 -11.259 7.159 8.095 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -13.460 8.229 8.219 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -13.601 6.482 7.910 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -13.924 7.127 9.537 1.00 0.00 H new ATOM 1870 N ASN A 129 -11.496 7.720 11.300 1.00 0.00 N ATOM 1871 CA ASN A 129 -11.135 8.559 12.442 1.00 0.00 C ATOM 1872 C ASN A 129 -10.803 7.670 13.609 1.00 0.00 C ATOM 1873 O ASN A 129 -11.690 7.138 14.289 1.00 0.00 O ATOM 1874 CB ASN A 129 -12.223 9.587 12.815 1.00 0.00 C ATOM 1875 CG ASN A 129 -12.390 10.675 11.774 1.00 0.00 C ATOM 1876 OD1 ASN A 129 -13.349 10.671 11.002 1.00 0.00 O ATOM 1877 ND2 ASN A 129 -11.445 11.605 11.733 1.00 0.00 N ATOM 0 H ASN A 129 -11.821 6.792 11.571 1.00 0.00 H new ATOM 0 HA ASN A 129 -10.265 9.152 12.160 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -13.173 9.070 12.948 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -11.971 10.043 13.772 1.00 0.00 H new ATOM 0 HD21 ASN A 129 -11.496 12.354 11.043 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -10.667 11.571 12.392 1.00 0.00 H new ATOM 1884 N PRO A 130 -9.490 7.497 13.850 1.00 0.00 N ATOM 1885 CA PRO A 130 -8.998 6.630 14.894 1.00 0.00 C ATOM 1886 C PRO A 130 -9.175 7.114 16.318 1.00 0.00 C ATOM 1887 O PRO A 130 -9.432 8.290 16.588 1.00 0.00 O ATOM 1888 CB PRO A 130 -7.504 6.463 14.623 1.00 0.00 C ATOM 1889 CG PRO A 130 -7.256 7.146 13.313 1.00 0.00 C ATOM 1890 CD PRO A 130 -8.385 8.098 13.090 1.00 0.00 C ATOM 0 HA PRO A 130 -9.586 5.713 14.849 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -6.908 6.911 15.418 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -7.229 5.409 14.574 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -6.304 7.676 13.330 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -7.201 6.418 12.504 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -8.145 9.098 13.452 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -8.629 8.192 12.032 1.00 0.00 H new ATOM 1898 N ASN A 131 -9.029 6.142 17.203 1.00 0.00 N ATOM 1899 CA ASN A 131 -9.100 6.315 18.615 1.00 0.00 C ATOM 1900 C ASN A 131 -7.751 5.923 19.185 1.00 0.00 C ATOM 1901 O ASN A 131 -7.601 4.894 19.858 1.00 0.00 O ATOM 1902 CB ASN A 131 -10.201 5.446 19.165 1.00 0.00 C ATOM 1903 CG ASN A 131 -10.982 6.117 20.258 1.00 0.00 C ATOM 1904 OD1 ASN A 131 -10.642 6.029 21.438 1.00 0.00 O ATOM 1905 ND2 ASN A 131 -12.042 6.794 19.858 1.00 0.00 N ATOM 0 H ASN A 131 -8.851 5.176 16.929 1.00 0.00 H new ATOM 0 HA ASN A 131 -9.325 7.347 18.885 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -10.879 5.171 18.357 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -9.770 4.521 19.548 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -12.626 7.278 20.541 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -12.278 6.834 18.866 1.00 0.00 H new ATOM 1912 N TRP A 132 -6.771 6.790 18.921 1.00 0.00 N ATOM 1913 CA TRP A 132 -5.376 6.595 19.347 1.00 0.00 C ATOM 1914 C TRP A 132 -5.227 6.577 20.879 1.00 0.00 C ATOM 1915 O TRP A 132 -4.117 6.679 21.420 1.00 0.00 O ATOM 1916 CB TRP A 132 -4.469 7.697 18.771 1.00 0.00 C ATOM 1917 CG TRP A 132 -4.754 8.053 17.343 1.00 0.00 C ATOM 1918 CD1 TRP A 132 -4.378 7.350 16.239 1.00 0.00 C ATOM 1919 CD2 TRP A 132 -5.481 9.191 16.866 1.00 0.00 C ATOM 1920 NE1 TRP A 132 -4.812 7.988 15.105 1.00 0.00 N ATOM 1921 CE2 TRP A 132 -5.492 9.114 15.465 1.00 0.00 C ATOM 1922 CE3 TRP A 132 -6.122 10.271 17.484 1.00 0.00 C ATOM 1923 CZ2 TRP A 132 -6.112 10.063 14.670 1.00 0.00 C ATOM 1924 CZ3 TRP A 132 -6.743 11.219 16.691 1.00 0.00 C ATOM 1925 CH2 TRP A 132 -6.733 11.109 15.294 1.00 0.00 C ATOM 0 H TRP A 132 -6.920 7.655 18.402 1.00 0.00 H new ATOM 0 HA TRP A 132 -5.072 5.622 18.962 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -4.573 8.593 19.383 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -3.431 7.375 18.852 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -3.820 6.426 16.254 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -4.652 7.672 14.148 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -6.132 10.362 18.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -6.105 9.980 13.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -7.243 12.056 17.155 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -7.225 11.864 14.699 1.00 0.00 H new ATOM 1936 N GLN A 133 -6.361 6.425 21.554 1.00 0.00 N ATOM 1937 CA GLN A 133 -6.450 6.413 22.996 1.00 0.00 C ATOM 1938 C GLN A 133 -6.102 5.049 23.602 1.00 0.00 C ATOM 1939 O GLN A 133 -6.647 4.627 24.631 1.00 0.00 O ATOM 1940 CB GLN A 133 -7.853 6.836 23.382 1.00 0.00 C ATOM 1941 CG GLN A 133 -8.177 8.303 23.080 1.00 0.00 C ATOM 1942 CD GLN A 133 -8.618 8.527 21.634 1.00 0.00 C ATOM 1943 OE1 GLN A 133 -9.808 8.657 21.350 1.00 0.00 O ATOM 1944 NE2 GLN A 133 -7.653 8.536 20.712 1.00 0.00 N ATOM 0 H GLN A 133 -7.263 6.304 21.094 1.00 0.00 H new ATOM 0 HA GLN A 133 -5.714 7.109 23.398 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -8.568 6.203 22.856 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -7.993 6.658 24.448 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -8.965 8.642 23.752 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -7.298 8.914 23.286 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -6.679 8.425 20.992 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -7.890 8.654 19.727 1.00 0.00 H new ATOM 1953 N ASN A 134 -5.180 4.380 22.919 1.00 0.00 N ATOM 1954 CA ASN A 134 -4.638 3.065 23.272 1.00 0.00 C ATOM 1955 C ASN A 134 -5.654 1.978 23.023 1.00 0.00 C ATOM 1956 O ASN A 134 -6.803 2.072 23.465 1.00 0.00 O ATOM 1957 CB ASN A 134 -4.128 3.016 24.720 1.00 0.00 C ATOM 1958 CG ASN A 134 -2.857 3.815 24.893 1.00 0.00 C ATOM 1959 OD1 ASN A 134 -1.761 3.259 24.971 1.00 0.00 O ATOM 1960 ND2 ASN A 134 -2.997 5.133 24.931 1.00 0.00 N ATOM 0 H ASN A 134 -4.768 4.754 22.064 1.00 0.00 H new ATOM 0 HA ASN A 134 -3.779 2.890 22.624 1.00 0.00 H new ATOM 0 HB2 ASN A 134 -4.896 3.404 25.389 1.00 0.00 H new ATOM 0 HB3 ASN A 134 -3.948 1.980 25.008 1.00 0.00 H new ATOM 0 HD21 ASN A 134 -2.176 5.730 25.028 1.00 0.00 H new ATOM 0 HD22 ASN A 134 -3.926 5.549 24.863 1.00 0.00 H new ATOM 1967 N GLY A 135 -5.216 0.961 22.300 1.00 0.00 N ATOM 1968 CA GLY A 135 -6.087 -0.137 21.984 1.00 0.00 C ATOM 1969 C GLY A 135 -5.769 -0.783 20.655 1.00 0.00 C ATOM 1970 O GLY A 135 -5.684 -2.011 20.569 1.00 0.00 O ATOM 0 H GLY A 135 -4.270 0.881 21.928 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -6.017 -0.887 22.772 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -7.118 0.217 21.972 1.00 0.00 H new ATOM 1974 N PHE A 136 -5.617 0.042 19.612 1.00 0.00 N ATOM 1975 CA PHE A 136 -5.297 -0.450 18.266 1.00 0.00 C ATOM 1976 C PHE A 136 -4.500 0.571 17.472 1.00 0.00 C ATOM 1977 O PHE A 136 -3.829 0.221 16.506 1.00 0.00 O ATOM 1978 CB PHE A 136 -6.575 -0.828 17.474 1.00 0.00 C ATOM 1979 CG PHE A 136 -7.854 -0.072 17.825 1.00 0.00 C ATOM 1980 CD1 PHE A 136 -9.056 -0.760 17.901 1.00 0.00 C ATOM 1981 CD2 PHE A 136 -7.867 1.305 18.063 1.00 0.00 C ATOM 1982 CE1 PHE A 136 -10.234 -0.104 18.200 1.00 0.00 C ATOM 1983 CE2 PHE A 136 -9.042 1.957 18.363 1.00 0.00 C ATOM 1984 CZ PHE A 136 -10.227 1.255 18.430 1.00 0.00 C ATOM 0 H PHE A 136 -5.711 1.056 19.674 1.00 0.00 H new ATOM 0 HA PHE A 136 -4.690 -1.345 18.403 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -6.373 -0.679 16.413 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -6.760 -1.893 17.617 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -9.071 -1.825 17.724 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -6.945 1.864 18.011 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -11.161 -0.656 18.254 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -9.036 3.021 18.546 1.00 0.00 H new ATOM 0 HZ PHE A 136 -11.148 1.769 18.662 1.00 0.00 H new ATOM 1994 N SER A 137 -4.592 1.841 17.892 1.00 0.00 N ATOM 1995 CA SER A 137 -3.928 2.993 17.247 1.00 0.00 C ATOM 1996 C SER A 137 -4.545 3.186 15.877 1.00 0.00 C ATOM 1997 O SER A 137 -4.011 3.869 14.996 1.00 0.00 O ATOM 1998 CB SER A 137 -2.397 2.823 17.173 1.00 0.00 C ATOM 1999 OG SER A 137 -1.768 4.019 16.743 1.00 0.00 O ATOM 0 H SER A 137 -5.142 2.106 18.709 1.00 0.00 H new ATOM 0 HA SER A 137 -4.087 3.886 17.851 1.00 0.00 H new ATOM 0 HB2 SER A 137 -2.012 2.539 18.152 1.00 0.00 H new ATOM 0 HB3 SER A 137 -2.151 2.013 16.487 1.00 0.00 H new ATOM 0 HG SER A 137 -2.279 4.410 16.004 1.00 0.00 H new ATOM 2005 N GLY A 138 -5.726 2.571 15.758 1.00 0.00 N ATOM 2006 CA GLY A 138 -6.507 2.601 14.553 1.00 0.00 C ATOM 2007 C GLY A 138 -5.974 1.665 13.488 1.00 0.00 C ATOM 2008 O GLY A 138 -6.641 1.412 12.487 1.00 0.00 O ATOM 0 H GLY A 138 -6.157 2.037 16.513 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.537 2.331 14.786 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -6.525 3.618 14.161 1.00 0.00 H new ATOM 2012 N ARG A 139 -4.764 1.142 13.701 1.00 0.00 N ATOM 2013 CA ARG A 139 -4.157 0.241 12.724 1.00 0.00 C ATOM 2014 C ARG A 139 -4.692 -1.188 12.850 1.00 0.00 C ATOM 2015 O ARG A 139 -4.663 -1.776 13.934 1.00 0.00 O ATOM 2016 CB ARG A 139 -2.617 0.250 12.815 1.00 0.00 C ATOM 2017 CG ARG A 139 -2.042 0.177 14.232 1.00 0.00 C ATOM 2018 CD ARG A 139 -1.836 -1.253 14.708 1.00 0.00 C ATOM 2019 NE ARG A 139 -1.543 -1.314 16.147 1.00 0.00 N ATOM 2020 CZ ARG A 139 -0.309 -1.352 16.678 1.00 0.00 C ATOM 2021 NH1 ARG A 139 0.772 -1.336 15.903 1.00 0.00 N ATOM 2022 NH2 ARG A 139 -0.165 -1.400 17.995 1.00 0.00 N ATOM 0 H ARG A 139 -4.195 1.324 14.528 1.00 0.00 H new ATOM 0 HA ARG A 139 -4.440 0.618 11.741 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -2.231 -0.592 12.241 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -2.247 1.157 12.337 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -1.090 0.706 14.261 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -2.714 0.691 14.919 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -2.730 -1.839 14.494 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -1.016 -1.707 14.151 1.00 0.00 H new ATOM 0 HE ARG A 139 -2.335 -1.329 16.790 1.00 0.00 H new ATOM 0 HH11 ARG A 139 0.672 -1.294 14.889 1.00 0.00 H new ATOM 0 HH12 ARG A 139 1.701 -1.365 16.323 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -0.988 -1.408 18.598 1.00 0.00 H new ATOM 0 HH22 ARG A 139 0.768 -1.429 18.405 1.00 0.00 H new ATOM 2036 N ILE A 140 -5.196 -1.727 11.736 1.00 0.00 N ATOM 2037 CA ILE A 140 -5.719 -3.092 11.722 1.00 0.00 C ATOM 2038 C ILE A 140 -5.057 -3.951 10.636 1.00 0.00 C ATOM 2039 O ILE A 140 -4.164 -3.489 9.919 1.00 0.00 O ATOM 2040 CB ILE A 140 -7.266 -3.179 11.596 1.00 0.00 C ATOM 2041 CG1 ILE A 140 -7.958 -1.818 11.746 1.00 0.00 C ATOM 2042 CG2 ILE A 140 -7.815 -4.152 12.630 1.00 0.00 C ATOM 2043 CD1 ILE A 140 -7.997 -1.020 10.465 1.00 0.00 C ATOM 0 H ILE A 140 -5.252 -1.242 10.840 1.00 0.00 H new ATOM 0 HA ILE A 140 -5.460 -3.492 12.702 1.00 0.00 H new ATOM 0 HB ILE A 140 -7.481 -3.536 10.589 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -8.977 -1.974 12.099 1.00 0.00 H new ATOM 0 HG13 ILE A 140 -7.441 -1.238 12.511 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -8.900 -4.209 12.537 1.00 0.00 H new ATOM 0 HG22 ILE A 140 -7.385 -5.140 12.465 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -7.555 -3.805 13.630 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -8.500 -0.070 10.644 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -6.980 -0.833 10.122 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -8.540 -1.580 9.704 1.00 0.00 H new ATOM 2055 N ASP A 141 -5.547 -5.193 10.502 1.00 0.00 N ATOM 2056 CA ASP A 141 -5.006 -6.185 9.565 1.00 0.00 C ATOM 2057 C ASP A 141 -5.423 -5.937 8.095 1.00 0.00 C ATOM 2058 O ASP A 141 -6.574 -5.579 7.835 1.00 0.00 O ATOM 2059 CB ASP A 141 -5.426 -7.606 9.991 1.00 0.00 C ATOM 2060 CG ASP A 141 -6.911 -7.748 10.322 1.00 0.00 C ATOM 2061 OD1 ASP A 141 -7.230 -8.420 11.326 1.00 0.00 O ATOM 2062 OD2 ASP A 141 -7.747 -7.187 9.582 1.00 0.00 O ATOM 0 H ASP A 141 -6.337 -5.538 11.047 1.00 0.00 H new ATOM 0 HA ASP A 141 -3.922 -6.083 9.607 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -5.176 -8.302 9.190 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -4.841 -7.899 10.863 1.00 0.00 H new ATOM 2067 N PRO A 142 -4.472 -6.095 7.117 1.00 0.00 N ATOM 2068 CA PRO A 142 -4.754 -5.912 5.673 1.00 0.00 C ATOM 2069 C PRO A 142 -5.524 -7.085 5.013 1.00 0.00 C ATOM 2070 O PRO A 142 -5.522 -7.226 3.785 1.00 0.00 O ATOM 2071 CB PRO A 142 -3.354 -5.777 5.072 1.00 0.00 C ATOM 2072 CG PRO A 142 -2.481 -6.578 5.960 1.00 0.00 C ATOM 2073 CD PRO A 142 -3.041 -6.423 7.343 1.00 0.00 C ATOM 0 HA PRO A 142 -5.411 -5.058 5.505 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -3.326 -6.150 4.048 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -3.036 -4.735 5.040 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -2.473 -7.625 5.658 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -1.451 -6.226 5.915 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -2.928 -7.338 7.924 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -2.532 -5.631 7.893 1.00 0.00 H new ATOM 2081 N THR A 143 -6.205 -7.894 5.839 1.00 0.00 N ATOM 2082 CA THR A 143 -6.975 -9.062 5.398 1.00 0.00 C ATOM 2083 C THR A 143 -8.052 -8.730 4.366 1.00 0.00 C ATOM 2084 O THR A 143 -8.457 -9.595 3.582 1.00 0.00 O ATOM 2085 CB THR A 143 -7.622 -9.761 6.601 1.00 0.00 C ATOM 2086 OG1 THR A 143 -8.160 -8.794 7.512 1.00 0.00 O ATOM 2087 CG2 THR A 143 -6.619 -10.653 7.319 1.00 0.00 C ATOM 0 H THR A 143 -6.235 -7.751 6.848 1.00 0.00 H new ATOM 0 HA THR A 143 -6.260 -9.725 4.911 1.00 0.00 H new ATOM 0 HB THR A 143 -8.433 -10.387 6.229 1.00 0.00 H new ATOM 0 HG1 THR A 143 -8.570 -9.255 8.273 1.00 0.00 H new ATOM 0 HG21 THR A 143 -7.104 -11.136 8.167 1.00 0.00 H new ATOM 0 HG22 THR A 143 -6.250 -11.413 6.631 1.00 0.00 H new ATOM 0 HG23 THR A 143 -5.784 -10.049 7.674 1.00 0.00 H new ATOM 2095 N GLY A 144 -8.508 -7.479 4.381 1.00 0.00 N ATOM 2096 CA GLY A 144 -9.511 -7.015 3.421 1.00 0.00 C ATOM 2097 C GLY A 144 -8.883 -6.802 2.052 1.00 0.00 C ATOM 2098 O GLY A 144 -9.556 -6.876 1.021 1.00 0.00 O ATOM 0 H GLY A 144 -8.200 -6.769 5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -10.317 -7.745 3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -9.955 -6.084 3.772 1.00 0.00 H new ATOM 2102 N TYR A 145 -7.566 -6.580 2.084 1.00 0.00 N ATOM 2103 CA TYR A 145 -6.737 -6.365 0.911 1.00 0.00 C ATOM 2104 C TYR A 145 -6.073 -7.686 0.463 1.00 0.00 C ATOM 2105 O TYR A 145 -5.494 -7.764 -0.626 1.00 0.00 O ATOM 2106 CB TYR A 145 -5.704 -5.267 1.260 1.00 0.00 C ATOM 2107 CG TYR A 145 -4.394 -5.291 0.490 1.00 0.00 C ATOM 2108 CD1 TYR A 145 -4.303 -4.796 -0.804 1.00 0.00 C ATOM 2109 CD2 TYR A 145 -3.252 -5.805 1.077 1.00 0.00 C ATOM 2110 CE1 TYR A 145 -3.104 -4.815 -1.490 1.00 0.00 C ATOM 2111 CE2 TYR A 145 -2.049 -5.830 0.399 1.00 0.00 C ATOM 2112 CZ TYR A 145 -1.980 -5.332 -0.884 1.00 0.00 C ATOM 2113 OH TYR A 145 -0.782 -5.352 -1.562 1.00 0.00 O ATOM 0 H TYR A 145 -7.039 -6.545 2.956 1.00 0.00 H new ATOM 0 HA TYR A 145 -7.337 -6.031 0.064 1.00 0.00 H new ATOM 0 HB2 TYR A 145 -6.173 -4.296 1.102 1.00 0.00 H new ATOM 0 HB3 TYR A 145 -5.475 -5.341 2.323 1.00 0.00 H new ATOM 0 HD1 TYR A 145 -5.183 -4.390 -1.281 1.00 0.00 H new ATOM 0 HD2 TYR A 145 -3.302 -6.194 2.083 1.00 0.00 H new ATOM 0 HE1 TYR A 145 -3.048 -4.427 -2.496 1.00 0.00 H new ATOM 0 HE2 TYR A 145 -1.168 -6.237 0.872 1.00 0.00 H new ATOM 0 HH TYR A 145 -0.090 -5.748 -0.992 1.00 0.00 H new ATOM 2123 N ILE A 146 -6.179 -8.712 1.316 1.00 0.00 N ATOM 2124 CA ILE A 146 -5.611 -10.029 1.049 1.00 0.00 C ATOM 2125 C ILE A 146 -6.718 -11.043 0.716 1.00 0.00 C ATOM 2126 O ILE A 146 -6.440 -12.140 0.222 1.00 0.00 O ATOM 2127 CB ILE A 146 -4.749 -10.548 2.254 1.00 0.00 C ATOM 2128 CG1 ILE A 146 -3.730 -9.479 2.743 1.00 0.00 C ATOM 2129 CG2 ILE A 146 -4.023 -11.863 1.923 1.00 0.00 C ATOM 2130 CD1 ILE A 146 -2.692 -9.030 1.715 1.00 0.00 C ATOM 0 H ILE A 146 -6.663 -8.647 2.211 1.00 0.00 H new ATOM 0 HA ILE A 146 -4.953 -9.926 0.186 1.00 0.00 H new ATOM 0 HB ILE A 146 -5.450 -10.746 3.065 1.00 0.00 H new ATOM 0 HG12 ILE A 146 -4.284 -8.602 3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -3.205 -9.876 3.612 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -3.439 -12.184 2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -4.756 -12.631 1.675 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -3.358 -11.708 1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 146 -2.035 -8.285 2.163 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -2.102 -9.889 1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -3.198 -8.596 0.853 1.00 0.00 H new ATOM 2142 N ALA A 147 -7.970 -10.649 0.970 1.00 0.00 N ATOM 2143 CA ALA A 147 -9.138 -11.494 0.717 1.00 0.00 C ATOM 2144 C ALA A 147 -9.484 -11.555 -0.762 1.00 0.00 C ATOM 2145 O ALA A 147 -10.041 -12.545 -1.247 1.00 0.00 O ATOM 2146 CB ALA A 147 -10.326 -10.979 1.498 1.00 0.00 C ATOM 0 H ALA A 147 -8.201 -9.734 1.357 1.00 0.00 H new ATOM 0 HA ALA A 147 -8.890 -12.504 1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -11.191 -11.613 1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -10.096 -10.995 2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -10.549 -9.957 1.190 1.00 0.00 H new