USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 693 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 35 THR OG1 : rot 180:sc= 0.0618 USER MOD Set 1.2: A 40 SER OG : rot 88:sc= 0.0106 USER MOD Single : A 20 ASN : amide:sc= -1.17 K(o=-1.2,f=-9.7!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -100:sc= -0.963 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot -66:sc= 1.12 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -160:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 171:sc=-0.00425 (180deg=-0.148) USER MOD Single : A 68 CYS SG : rot 23:sc= 0.482 USER MOD Single : A 69 GLN : amide:sc= -0.0159 X(o=-0.016,f=-0.4) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot -148:sc= 0.295 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 17:sc= 1.26 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 170:sc= 0 (180deg=-0.124) USER MOD Single : A 86 ASN : amide:sc= -0.689 X(o=-0.69,f=-0.54) USER MOD Single : A 87 TYR OH : rot 15:sc= 1.3 USER MOD Single : A 90 SER OG : rot 21:sc= 0.268! USER MOD Single : A 92 LYS NZ :NH3+ -121:sc= 0 (180deg=-1.2) USER MOD Single : A 93 TYR OH : rot 77:sc= 1.29 USER MOD Single : A 97 ASN : amide:sc= -0.135 K(o=-0.13,f=-1.1) USER MOD Single : A 98 HIS : no HE2:sc= -0.0721 K(o=-0.072,f=-1.6) USER MOD Single : A 102 SER OG : rot -33:sc= 0.611 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 241 N ASN A 20 2.847 19.081 -0.683 1.00 0.00 N ATOM 242 CA ASN A 20 1.940 18.526 0.314 1.00 0.00 C ATOM 243 C ASN A 20 1.642 17.058 0.022 1.00 0.00 C ATOM 244 O ASN A 20 1.113 16.704 -1.031 1.00 0.00 O ATOM 245 CB ASN A 20 0.636 19.326 0.349 1.00 0.00 C ATOM 246 CG ASN A 20 -0.320 18.826 1.415 1.00 0.00 C ATOM 247 OD1 ASN A 20 0.058 18.045 2.287 1.00 0.00 O ATOM 248 ND2 ASN A 20 -1.568 19.277 1.349 1.00 0.00 N ATOM 0 HA ASN A 20 2.426 18.593 1.288 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.862 20.377 0.531 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.151 19.269 -0.626 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.256 18.976 2.039 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.838 19.924 0.608 1.00 0.00 H new ATOM 255 N PRO A 21 1.990 16.183 0.978 1.00 0.00 N ATOM 256 CA PRO A 21 1.768 14.740 0.847 1.00 0.00 C ATOM 257 C PRO A 21 0.290 14.372 0.910 1.00 0.00 C ATOM 258 O PRO A 21 -0.163 13.461 0.218 1.00 0.00 O ATOM 259 CB PRO A 21 2.516 14.156 2.048 1.00 0.00 C ATOM 260 CG PRO A 21 2.543 15.259 3.050 1.00 0.00 C ATOM 261 CD PRO A 21 2.624 16.535 2.259 1.00 0.00 C ATOM 0 HA PRO A 21 2.114 14.360 -0.114 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.007 13.276 2.442 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.524 13.845 1.774 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.649 15.242 3.673 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.399 15.159 3.718 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.099 17.350 2.757 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.656 16.858 2.121 1.00 0.00 H new ATOM 269 N ALA A 22 -0.458 15.087 1.745 1.00 0.00 N ATOM 270 CA ALA A 22 -1.886 14.837 1.896 1.00 0.00 C ATOM 271 C ALA A 22 -2.582 14.792 0.540 1.00 0.00 C ATOM 272 O ALA A 22 -3.405 13.913 0.282 1.00 0.00 O ATOM 273 CB ALA A 22 -2.517 15.901 2.781 1.00 0.00 C ATOM 0 H ALA A 22 -0.098 15.844 2.327 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.011 13.864 2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.584 15.702 2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.047 15.882 3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.374 16.882 2.329 1.00 0.00 H new ATOM 279 N LEU A 23 -2.248 15.745 -0.323 1.00 0.00 N ATOM 280 CA LEU A 23 -2.842 15.815 -1.653 1.00 0.00 C ATOM 281 C LEU A 23 -2.684 14.489 -2.390 1.00 0.00 C ATOM 282 O LEU A 23 -3.561 14.083 -3.154 1.00 0.00 O ATOM 283 CB LEU A 23 -2.196 16.941 -2.463 1.00 0.00 C ATOM 284 CG LEU A 23 -2.844 18.320 -2.329 1.00 0.00 C ATOM 285 CD1 LEU A 23 -1.904 19.403 -2.836 1.00 0.00 C ATOM 286 CD2 LEU A 23 -4.166 18.364 -3.081 1.00 0.00 C ATOM 0 H LEU A 23 -1.569 16.480 -0.125 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.906 16.022 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.151 17.022 -2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.207 16.657 -3.515 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.043 18.505 -1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.382 20.377 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.983 19.387 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.673 19.222 -3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.612 19.353 -2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.991 18.157 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.843 17.614 -2.671 1.00 0.00 H new ATOM 298 N VAL A 24 -1.562 13.816 -2.155 1.00 0.00 N ATOM 299 CA VAL A 24 -1.291 12.534 -2.793 1.00 0.00 C ATOM 300 C VAL A 24 -2.264 11.464 -2.311 1.00 0.00 C ATOM 301 O VAL A 24 -2.444 11.270 -1.109 1.00 0.00 O ATOM 302 CB VAL A 24 0.150 12.064 -2.519 1.00 0.00 C ATOM 303 CG1 VAL A 24 0.354 10.645 -3.028 1.00 0.00 C ATOM 304 CG2 VAL A 24 1.151 13.017 -3.155 1.00 0.00 C ATOM 0 H VAL A 24 -0.826 14.138 -1.527 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.419 12.681 -3.865 1.00 0.00 H new ATOM 0 HB VAL A 24 0.316 12.065 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.378 10.330 -2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.339 9.974 -2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.170 10.614 -4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.164 12.670 -2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.988 13.050 -4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.019 14.015 -2.738 1.00 0.00 H new ATOM 314 N SER A 25 -2.889 10.770 -3.258 1.00 0.00 N ATOM 315 CA SER A 25 -3.846 9.720 -2.930 1.00 0.00 C ATOM 316 C SER A 25 -3.515 8.431 -3.675 1.00 0.00 C ATOM 317 O SER A 25 -2.662 8.415 -4.561 1.00 0.00 O ATOM 318 CB SER A 25 -5.267 10.171 -3.275 1.00 0.00 C ATOM 319 OG SER A 25 -5.649 11.293 -2.498 1.00 0.00 O ATOM 0 H SER A 25 -2.749 10.916 -4.258 1.00 0.00 H new ATOM 0 HA SER A 25 -3.783 9.526 -1.859 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.325 10.421 -4.334 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.964 9.351 -3.103 1.00 0.00 H new ATOM 0 HG SER A 25 -6.560 11.563 -2.739 1.00 0.00 H new ATOM 325 N ALA A 26 -4.196 7.351 -3.307 1.00 0.00 N ATOM 326 CA ALA A 26 -3.976 6.056 -3.940 1.00 0.00 C ATOM 327 C ALA A 26 -5.298 5.345 -4.208 1.00 0.00 C ATOM 328 O ALA A 26 -6.263 5.504 -3.460 1.00 0.00 O ATOM 329 CB ALA A 26 -3.075 5.191 -3.073 1.00 0.00 C ATOM 0 H ALA A 26 -4.905 7.347 -2.574 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.484 6.226 -4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.919 4.227 -3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.115 5.688 -2.937 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.544 5.037 -2.101 1.00 0.00 H new ATOM 335 N TYR A 27 -5.336 4.560 -5.279 1.00 0.00 N ATOM 336 CA TYR A 27 -6.541 3.826 -5.647 1.00 0.00 C ATOM 337 C TYR A 27 -6.217 2.702 -6.627 1.00 0.00 C ATOM 338 O TYR A 27 -5.158 2.696 -7.253 1.00 0.00 O ATOM 339 CB TYR A 27 -7.572 4.774 -6.264 1.00 0.00 C ATOM 340 CG TYR A 27 -7.161 5.322 -7.611 1.00 0.00 C ATOM 341 CD1 TYR A 27 -7.432 4.622 -8.781 1.00 0.00 C ATOM 342 CD2 TYR A 27 -6.501 6.540 -7.716 1.00 0.00 C ATOM 343 CE1 TYR A 27 -7.058 5.119 -10.014 1.00 0.00 C ATOM 344 CE2 TYR A 27 -6.124 7.046 -8.945 1.00 0.00 C ATOM 345 CZ TYR A 27 -6.404 6.331 -10.091 1.00 0.00 C ATOM 346 OH TYR A 27 -6.031 6.830 -11.318 1.00 0.00 O ATOM 0 H TYR A 27 -4.546 4.416 -5.908 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.958 3.385 -4.742 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.520 4.247 -6.370 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.744 5.605 -5.580 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.944 3.673 -8.725 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.279 7.101 -6.821 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.276 4.562 -10.913 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.613 7.995 -9.008 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.582 7.693 -11.198 1.00 0.00 H new ATOM 356 N GLY A 28 -7.138 1.752 -6.753 1.00 0.00 N ATOM 357 CA GLY A 28 -6.934 0.636 -7.658 1.00 0.00 C ATOM 358 C GLY A 28 -7.599 -0.635 -7.170 1.00 0.00 C ATOM 359 O GLY A 28 -8.298 -0.630 -6.156 1.00 0.00 O ATOM 0 H GLY A 28 -8.022 1.735 -6.244 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.327 0.893 -8.642 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.865 0.460 -7.778 1.00 0.00 H new ATOM 363 N THR A 29 -7.385 -1.729 -7.894 1.00 0.00 N ATOM 364 CA THR A 29 -7.972 -3.013 -7.532 1.00 0.00 C ATOM 365 C THR A 29 -7.144 -3.713 -6.460 1.00 0.00 C ATOM 366 O THR A 29 -7.664 -4.516 -5.687 1.00 0.00 O ATOM 367 CB THR A 29 -8.094 -3.940 -8.756 1.00 0.00 C ATOM 368 OG1 THR A 29 -8.882 -3.309 -9.772 1.00 0.00 O ATOM 369 CG2 THR A 29 -8.729 -5.267 -8.368 1.00 0.00 C ATOM 0 H THR A 29 -6.809 -1.751 -8.735 1.00 0.00 H new ATOM 0 HA THR A 29 -8.968 -2.806 -7.141 1.00 0.00 H new ATOM 0 HB THR A 29 -7.092 -4.132 -9.140 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.953 -3.904 -10.547 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.805 -5.905 -9.248 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.113 -5.759 -7.615 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.725 -5.089 -7.962 1.00 0.00 H new ATOM 377 N GLY A 30 -5.852 -3.401 -6.418 1.00 0.00 N ATOM 378 CA GLY A 30 -4.974 -4.008 -5.436 1.00 0.00 C ATOM 379 C GLY A 30 -5.157 -3.420 -4.051 1.00 0.00 C ATOM 380 O GLY A 30 -4.588 -3.915 -3.077 1.00 0.00 O ATOM 0 H GLY A 30 -5.398 -2.738 -7.047 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.162 -5.081 -5.399 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.938 -3.876 -5.749 1.00 0.00 H new ATOM 384 N LEU A 31 -5.952 -2.359 -3.961 1.00 0.00 N ATOM 385 CA LEU A 31 -6.208 -1.701 -2.685 1.00 0.00 C ATOM 386 C LEU A 31 -7.598 -2.049 -2.162 1.00 0.00 C ATOM 387 O LEU A 31 -7.859 -1.962 -0.963 1.00 0.00 O ATOM 388 CB LEU A 31 -6.072 -0.184 -2.835 1.00 0.00 C ATOM 389 CG LEU A 31 -4.677 0.333 -3.185 1.00 0.00 C ATOM 390 CD1 LEU A 31 -4.751 1.763 -3.698 1.00 0.00 C ATOM 391 CD2 LEU A 31 -3.757 0.245 -1.976 1.00 0.00 C ATOM 0 H LEU A 31 -6.430 -1.936 -4.757 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.470 -2.057 -1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.765 0.148 -3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.387 0.283 -1.902 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.266 -0.294 -3.976 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.748 2.114 -3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.375 1.797 -4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.183 2.404 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.768 0.617 -2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.164 0.848 -1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.679 -0.793 -1.653 1.00 0.00 H new ATOM 403 N GLU A 32 -8.484 -2.445 -3.070 1.00 0.00 N ATOM 404 CA GLU A 32 -9.847 -2.807 -2.699 1.00 0.00 C ATOM 405 C GLU A 32 -9.895 -4.217 -2.116 1.00 0.00 C ATOM 406 O GLU A 32 -10.935 -4.667 -1.636 1.00 0.00 O ATOM 407 CB GLU A 32 -10.773 -2.714 -3.914 1.00 0.00 C ATOM 408 CG GLU A 32 -10.741 -3.948 -4.799 1.00 0.00 C ATOM 409 CD GLU A 32 -11.851 -3.954 -5.832 1.00 0.00 C ATOM 410 OE1 GLU A 32 -12.148 -2.877 -6.391 1.00 0.00 O ATOM 411 OE2 GLU A 32 -12.423 -5.036 -6.081 1.00 0.00 O ATOM 0 H GLU A 32 -8.283 -2.523 -4.067 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.188 -2.105 -1.938 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.794 -2.550 -3.570 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.493 -1.844 -4.508 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.778 -4.002 -5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.824 -4.839 -4.177 1.00 0.00 H new ATOM 418 N GLY A 33 -8.761 -4.910 -2.164 1.00 0.00 N ATOM 419 CA GLY A 33 -8.695 -6.261 -1.639 1.00 0.00 C ATOM 420 C GLY A 33 -7.462 -7.007 -2.110 1.00 0.00 C ATOM 421 O GLY A 33 -6.692 -6.496 -2.921 1.00 0.00 O ATOM 0 H GLY A 33 -7.887 -4.560 -2.557 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.700 -6.225 -0.550 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.586 -6.810 -1.944 1.00 0.00 H new ATOM 425 N GLY A 34 -7.274 -8.219 -1.598 1.00 0.00 N ATOM 426 CA GLY A 34 -6.123 -9.016 -1.982 1.00 0.00 C ATOM 427 C GLY A 34 -6.504 -10.216 -2.826 1.00 0.00 C ATOM 428 O GLY A 34 -7.049 -11.195 -2.317 1.00 0.00 O ATOM 0 H GLY A 34 -7.898 -8.664 -0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.422 -8.393 -2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.605 -9.356 -1.085 1.00 0.00 H new ATOM 432 N THR A 35 -6.217 -10.140 -4.122 1.00 0.00 N ATOM 433 CA THR A 35 -6.536 -11.227 -5.040 1.00 0.00 C ATOM 434 C THR A 35 -5.331 -12.135 -5.256 1.00 0.00 C ATOM 435 O THR A 35 -4.373 -11.763 -5.935 1.00 0.00 O ATOM 436 CB THR A 35 -7.011 -10.690 -6.403 1.00 0.00 C ATOM 437 OG1 THR A 35 -6.386 -9.431 -6.678 1.00 0.00 O ATOM 438 CG2 THR A 35 -8.523 -10.528 -6.424 1.00 0.00 C ATOM 0 H THR A 35 -5.764 -9.337 -4.559 1.00 0.00 H new ATOM 0 HA THR A 35 -7.342 -11.800 -4.583 1.00 0.00 H new ATOM 0 HB THR A 35 -6.729 -11.410 -7.171 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.692 -9.097 -7.547 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.835 -10.148 -7.397 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.995 -11.494 -6.244 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.825 -9.826 -5.646 1.00 0.00 H new ATOM 446 N THR A 36 -5.383 -13.330 -4.674 1.00 0.00 N ATOM 447 CA THR A 36 -4.296 -14.291 -4.803 1.00 0.00 C ATOM 448 C THR A 36 -4.346 -15.001 -6.151 1.00 0.00 C ATOM 449 O THR A 36 -5.351 -15.618 -6.501 1.00 0.00 O ATOM 450 CB THR A 36 -4.340 -15.344 -3.679 1.00 0.00 C ATOM 451 OG1 THR A 36 -4.601 -14.708 -2.423 1.00 0.00 O ATOM 452 CG2 THR A 36 -3.029 -16.110 -3.603 1.00 0.00 C ATOM 0 H THR A 36 -6.167 -13.654 -4.109 1.00 0.00 H new ATOM 0 HA THR A 36 -3.366 -13.727 -4.727 1.00 0.00 H new ATOM 0 HB THR A 36 -5.141 -16.049 -3.902 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.761 -14.602 -1.929 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.084 -16.847 -2.802 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.848 -16.617 -4.551 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.213 -15.416 -3.401 1.00 0.00 H new ATOM 460 N GLY A 37 -3.254 -14.910 -6.904 1.00 0.00 N ATOM 461 CA GLY A 37 -3.195 -15.549 -8.205 1.00 0.00 C ATOM 462 C GLY A 37 -3.351 -14.561 -9.344 1.00 0.00 C ATOM 463 O GLY A 37 -2.943 -14.836 -10.473 1.00 0.00 O ATOM 0 H GLY A 37 -2.409 -14.405 -6.636 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.243 -16.070 -8.308 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.979 -16.303 -8.272 1.00 0.00 H new ATOM 467 N ILE A 38 -3.945 -13.410 -9.049 1.00 0.00 N ATOM 468 CA ILE A 38 -4.155 -12.378 -10.058 1.00 0.00 C ATOM 469 C ILE A 38 -3.263 -11.169 -9.801 1.00 0.00 C ATOM 470 O ILE A 38 -3.008 -10.806 -8.652 1.00 0.00 O ATOM 471 CB ILE A 38 -5.624 -11.919 -10.097 1.00 0.00 C ATOM 472 CG1 ILE A 38 -6.557 -13.130 -10.172 1.00 0.00 C ATOM 473 CG2 ILE A 38 -5.858 -10.990 -11.278 1.00 0.00 C ATOM 474 CD1 ILE A 38 -7.997 -12.766 -10.463 1.00 0.00 C ATOM 0 H ILE A 38 -4.290 -13.168 -8.120 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.896 -12.820 -11.020 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.842 -11.371 -9.180 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.198 -13.808 -10.947 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.511 -13.673 -9.228 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.901 -10.674 -11.292 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.215 -10.115 -11.185 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.626 -11.514 -12.205 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.601 -13.673 -10.502 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.373 -12.113 -9.676 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.055 -12.250 -11.421 1.00 0.00 H new ATOM 486 N GLN A 39 -2.792 -10.547 -10.877 1.00 0.00 N ATOM 487 CA GLN A 39 -1.930 -9.377 -10.768 1.00 0.00 C ATOM 488 C GLN A 39 -2.756 -8.097 -10.688 1.00 0.00 C ATOM 489 O GLN A 39 -3.369 -7.680 -11.670 1.00 0.00 O ATOM 490 CB GLN A 39 -0.975 -9.308 -11.961 1.00 0.00 C ATOM 491 CG GLN A 39 -0.290 -7.959 -12.114 1.00 0.00 C ATOM 492 CD GLN A 39 0.578 -7.884 -13.355 1.00 0.00 C ATOM 493 OE1 GLN A 39 0.253 -7.182 -14.313 1.00 0.00 O ATOM 494 NE2 GLN A 39 1.692 -8.608 -13.343 1.00 0.00 N ATOM 0 H GLN A 39 -2.993 -10.834 -11.835 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.348 -9.470 -9.851 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.215 -10.082 -11.853 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.529 -9.530 -12.873 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.046 -7.174 -12.156 1.00 0.00 H new ATOM 0 HG3 GLN A 39 0.323 -7.765 -11.234 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.922 -9.176 -12.528 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.317 -8.596 -14.149 1.00 0.00 H new ATOM 503 N SER A 40 -2.767 -7.479 -9.511 1.00 0.00 N ATOM 504 CA SER A 40 -3.521 -6.249 -9.302 1.00 0.00 C ATOM 505 C SER A 40 -2.709 -5.033 -9.737 1.00 0.00 C ATOM 506 O SER A 40 -1.492 -5.113 -9.904 1.00 0.00 O ATOM 507 CB SER A 40 -3.916 -6.112 -7.830 1.00 0.00 C ATOM 508 OG SER A 40 -5.102 -6.835 -7.551 1.00 0.00 O ATOM 0 H SER A 40 -2.263 -7.810 -8.688 1.00 0.00 H new ATOM 0 HA SER A 40 -4.424 -6.298 -9.911 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.107 -6.477 -7.198 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.062 -5.060 -7.586 1.00 0.00 H new ATOM 0 HG SER A 40 -4.875 -7.760 -7.322 1.00 0.00 H new ATOM 514 N GLU A 41 -3.392 -3.907 -9.919 1.00 0.00 N ATOM 515 CA GLU A 41 -2.734 -2.674 -10.336 1.00 0.00 C ATOM 516 C GLU A 41 -3.384 -1.461 -9.676 1.00 0.00 C ATOM 517 O GLU A 41 -4.602 -1.289 -9.729 1.00 0.00 O ATOM 518 CB GLU A 41 -2.788 -2.530 -11.858 1.00 0.00 C ATOM 519 CG GLU A 41 -4.199 -2.554 -12.422 1.00 0.00 C ATOM 520 CD GLU A 41 -4.889 -3.888 -12.214 1.00 0.00 C ATOM 521 OE1 GLU A 41 -4.189 -4.922 -12.210 1.00 0.00 O ATOM 522 OE2 GLU A 41 -6.127 -3.898 -12.055 1.00 0.00 O ATOM 0 H GLU A 41 -4.400 -3.823 -9.784 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.692 -2.724 -10.020 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.308 -1.594 -12.143 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.211 -3.336 -12.311 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.788 -1.767 -11.950 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.164 -2.330 -13.488 1.00 0.00 H new ATOM 529 N PHE A 42 -2.562 -0.622 -9.054 1.00 0.00 N ATOM 530 CA PHE A 42 -3.055 0.574 -8.382 1.00 0.00 C ATOM 531 C PHE A 42 -2.231 1.797 -8.774 1.00 0.00 C ATOM 532 O PHE A 42 -1.001 1.747 -8.802 1.00 0.00 O ATOM 533 CB PHE A 42 -3.018 0.385 -6.864 1.00 0.00 C ATOM 534 CG PHE A 42 -1.651 0.575 -6.270 1.00 0.00 C ATOM 535 CD1 PHE A 42 -1.099 1.841 -6.158 1.00 0.00 C ATOM 536 CD2 PHE A 42 -0.918 -0.513 -5.823 1.00 0.00 C ATOM 537 CE1 PHE A 42 0.158 2.019 -5.612 1.00 0.00 C ATOM 538 CE2 PHE A 42 0.339 -0.341 -5.276 1.00 0.00 C ATOM 539 CZ PHE A 42 0.878 0.926 -5.171 1.00 0.00 C ATOM 0 H PHE A 42 -1.551 -0.749 -9.002 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.086 0.737 -8.695 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.708 1.090 -6.401 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.375 -0.616 -6.622 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.658 2.699 -6.502 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.334 -1.506 -5.903 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.577 3.011 -5.530 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.900 -1.197 -4.931 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.861 1.062 -4.745 1.00 0.00 H new ATOM 549 N PHE A 43 -2.917 2.894 -9.075 1.00 0.00 N ATOM 550 CA PHE A 43 -2.250 4.130 -9.467 1.00 0.00 C ATOM 551 C PHE A 43 -2.237 5.130 -8.315 1.00 0.00 C ATOM 552 O PHE A 43 -3.030 5.024 -7.378 1.00 0.00 O ATOM 553 CB PHE A 43 -2.944 4.746 -10.684 1.00 0.00 C ATOM 554 CG PHE A 43 -3.260 3.748 -11.762 1.00 0.00 C ATOM 555 CD1 PHE A 43 -4.404 2.971 -11.691 1.00 0.00 C ATOM 556 CD2 PHE A 43 -2.413 3.589 -12.847 1.00 0.00 C ATOM 557 CE1 PHE A 43 -4.697 2.052 -12.681 1.00 0.00 C ATOM 558 CE2 PHE A 43 -2.700 2.672 -13.840 1.00 0.00 C ATOM 559 CZ PHE A 43 -3.844 1.903 -13.758 1.00 0.00 C ATOM 0 H PHE A 43 -3.935 2.953 -9.055 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.219 3.890 -9.728 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.868 5.225 -10.361 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.307 5.528 -11.099 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.075 3.084 -10.852 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.518 4.189 -12.917 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.592 1.451 -12.613 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.030 2.557 -14.679 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.072 1.187 -14.534 1.00 0.00 H new ATOM 569 N ILE A 44 -1.333 6.100 -8.391 1.00 0.00 N ATOM 570 CA ILE A 44 -1.217 7.120 -7.356 1.00 0.00 C ATOM 571 C ILE A 44 -1.520 8.506 -7.913 1.00 0.00 C ATOM 572 O ILE A 44 -0.995 8.896 -8.955 1.00 0.00 O ATOM 573 CB ILE A 44 0.190 7.128 -6.729 1.00 0.00 C ATOM 574 CG1 ILE A 44 0.489 5.776 -6.077 1.00 0.00 C ATOM 575 CG2 ILE A 44 0.309 8.251 -5.709 1.00 0.00 C ATOM 576 CD1 ILE A 44 1.960 5.548 -5.806 1.00 0.00 C ATOM 0 H ILE A 44 -0.670 6.201 -9.159 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.948 6.873 -6.586 1.00 0.00 H new ATOM 0 HB ILE A 44 0.922 7.300 -7.518 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.060 5.705 -5.138 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.119 4.980 -6.724 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.309 8.244 -5.275 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.134 9.208 -6.200 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.430 8.107 -4.921 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.098 4.571 -5.344 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.513 5.586 -6.744 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.331 6.322 -5.134 1.00 0.00 H new ATOM 588 N ASN A 45 -2.370 9.247 -7.210 1.00 0.00 N ATOM 589 CA ASN A 45 -2.744 10.592 -7.633 1.00 0.00 C ATOM 590 C ASN A 45 -1.667 11.602 -7.249 1.00 0.00 C ATOM 591 O ASN A 45 -1.896 12.489 -6.426 1.00 0.00 O ATOM 592 CB ASN A 45 -4.081 10.993 -7.009 1.00 0.00 C ATOM 593 CG ASN A 45 -4.834 12.003 -7.854 1.00 0.00 C ATOM 594 OD1 ASN A 45 -5.534 11.638 -8.799 1.00 0.00 O ATOM 595 ND2 ASN A 45 -4.694 13.279 -7.516 1.00 0.00 N ATOM 0 H ASN A 45 -2.813 8.939 -6.344 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.844 10.589 -8.718 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.697 10.104 -6.875 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.905 11.411 -6.018 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.177 14.003 -8.047 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.103 13.535 -6.725 1.00 0.00 H new ATOM 602 N THR A 46 -0.489 11.462 -7.850 1.00 0.00 N ATOM 603 CA THR A 46 0.623 12.360 -7.571 1.00 0.00 C ATOM 604 C THR A 46 0.752 13.428 -8.651 1.00 0.00 C ATOM 605 O THR A 46 1.855 13.742 -9.101 1.00 0.00 O ATOM 606 CB THR A 46 1.954 11.591 -7.464 1.00 0.00 C ATOM 607 OG1 THR A 46 3.035 12.508 -7.265 1.00 0.00 O ATOM 608 CG2 THR A 46 2.205 10.768 -8.718 1.00 0.00 C ATOM 0 H THR A 46 -0.281 10.734 -8.534 1.00 0.00 H new ATOM 0 HA THR A 46 0.410 12.838 -6.615 1.00 0.00 H new ATOM 0 HB THR A 46 1.890 10.915 -6.611 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.146 13.062 -8.066 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.150 10.234 -8.620 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.395 10.051 -8.851 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.250 11.429 -9.584 1.00 0.00 H new ATOM 616 N THR A 47 -0.382 13.985 -9.065 1.00 0.00 N ATOM 617 CA THR A 47 -0.396 15.017 -10.094 1.00 0.00 C ATOM 618 C THR A 47 -0.546 16.404 -9.478 1.00 0.00 C ATOM 619 O THR A 47 -0.213 17.410 -10.104 1.00 0.00 O ATOM 620 CB THR A 47 -1.537 14.790 -11.103 1.00 0.00 C ATOM 621 OG1 THR A 47 -2.773 14.593 -10.409 1.00 0.00 O ATOM 622 CG2 THR A 47 -1.247 13.584 -11.985 1.00 0.00 C ATOM 0 H THR A 47 -1.303 13.738 -8.703 1.00 0.00 H new ATOM 0 HA THR A 47 0.558 14.955 -10.617 1.00 0.00 H new ATOM 0 HB THR A 47 -1.614 15.674 -11.736 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.494 14.451 -11.058 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.067 13.443 -12.690 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.320 13.750 -12.534 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.146 12.694 -11.363 1.00 0.00 H new ATOM 630 N ARG A 48 -1.049 16.449 -8.249 1.00 0.00 N ATOM 631 CA ARG A 48 -1.243 17.714 -7.550 1.00 0.00 C ATOM 632 C ARG A 48 -0.107 17.970 -6.564 1.00 0.00 C ATOM 633 O ARG A 48 0.228 19.118 -6.273 1.00 0.00 O ATOM 634 CB ARG A 48 -2.583 17.711 -6.810 1.00 0.00 C ATOM 635 CG ARG A 48 -3.788 17.679 -7.735 1.00 0.00 C ATOM 636 CD ARG A 48 -4.124 19.065 -8.262 1.00 0.00 C ATOM 637 NE ARG A 48 -3.395 19.376 -9.488 1.00 0.00 N ATOM 638 CZ ARG A 48 -3.180 20.613 -9.922 1.00 0.00 C ATOM 639 NH1 ARG A 48 -3.635 21.649 -9.232 1.00 0.00 N ATOM 640 NH2 ARG A 48 -2.507 20.815 -11.048 1.00 0.00 N ATOM 0 H ARG A 48 -1.329 15.625 -7.717 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.245 18.513 -8.291 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.621 16.846 -6.147 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.643 18.598 -6.180 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.588 17.009 -8.571 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.647 17.274 -7.201 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.195 19.131 -8.451 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.888 19.809 -7.501 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.031 18.601 -10.042 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.152 21.498 -8.366 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.469 22.598 -9.567 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.154 20.020 -11.581 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.342 21.765 -11.380 1.00 0.00 H new ATOM 654 N ALA A 49 0.482 16.894 -6.054 1.00 0.00 N ATOM 655 CA ALA A 49 1.581 17.002 -5.103 1.00 0.00 C ATOM 656 C ALA A 49 2.866 17.442 -5.797 1.00 0.00 C ATOM 657 O ALA A 49 3.626 18.249 -5.264 1.00 0.00 O ATOM 658 CB ALA A 49 1.793 15.676 -4.388 1.00 0.00 C ATOM 0 H ALA A 49 0.216 15.936 -6.284 1.00 0.00 H new ATOM 0 HA ALA A 49 1.318 17.761 -4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.617 15.772 -3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.884 15.402 -3.852 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.030 14.902 -5.119 1.00 0.00 H new ATOM 664 N GLY A 50 3.103 16.904 -6.990 1.00 0.00 N ATOM 665 CA GLY A 50 4.298 17.253 -7.737 1.00 0.00 C ATOM 666 C GLY A 50 5.171 16.049 -8.028 1.00 0.00 C ATOM 667 O GLY A 50 5.136 15.043 -7.319 1.00 0.00 O ATOM 0 H GLY A 50 2.489 16.233 -7.452 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.011 17.725 -8.676 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.873 17.988 -7.174 1.00 0.00 H new ATOM 671 N PRO A 51 5.977 16.142 -9.097 1.00 0.00 N ATOM 672 CA PRO A 51 6.878 15.060 -9.505 1.00 0.00 C ATOM 673 C PRO A 51 8.033 14.867 -8.529 1.00 0.00 C ATOM 674 O PRO A 51 8.472 15.814 -7.877 1.00 0.00 O ATOM 675 CB PRO A 51 7.400 15.529 -10.866 1.00 0.00 C ATOM 676 CG PRO A 51 7.283 17.013 -10.826 1.00 0.00 C ATOM 677 CD PRO A 51 6.071 17.310 -9.987 1.00 0.00 C ATOM 0 HA PRO A 51 6.370 14.096 -9.536 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.433 15.217 -11.023 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.813 15.107 -11.682 1.00 0.00 H new ATOM 0 HG2 PRO A 51 8.177 17.463 -10.394 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.173 17.423 -11.830 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.189 18.236 -9.424 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.176 17.422 -10.599 1.00 0.00 H new ATOM 685 N GLY A 52 8.522 13.634 -8.433 1.00 0.00 N ATOM 686 CA GLY A 52 9.622 13.341 -7.534 1.00 0.00 C ATOM 687 C GLY A 52 9.671 11.879 -7.137 1.00 0.00 C ATOM 688 O GLY A 52 8.750 11.116 -7.429 1.00 0.00 O ATOM 0 H GLY A 52 8.176 12.834 -8.962 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.562 13.616 -8.013 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.529 13.955 -6.638 1.00 0.00 H new ATOM 692 N THR A 53 10.752 11.484 -6.469 1.00 0.00 N ATOM 693 CA THR A 53 10.920 10.104 -6.034 1.00 0.00 C ATOM 694 C THR A 53 10.180 9.845 -4.726 1.00 0.00 C ATOM 695 O THR A 53 10.253 10.644 -3.791 1.00 0.00 O ATOM 696 CB THR A 53 12.407 9.750 -5.848 1.00 0.00 C ATOM 697 OG1 THR A 53 13.164 10.206 -6.975 1.00 0.00 O ATOM 698 CG2 THR A 53 12.590 8.249 -5.681 1.00 0.00 C ATOM 0 H THR A 53 11.524 12.102 -6.218 1.00 0.00 H new ATOM 0 HA THR A 53 10.499 9.473 -6.817 1.00 0.00 H new ATOM 0 HB THR A 53 12.765 10.246 -4.946 1.00 0.00 H new ATOM 0 HG1 THR A 53 14.109 9.979 -6.848 1.00 0.00 H new ATOM 0 HG21 THR A 53 13.649 8.024 -5.551 1.00 0.00 H new ATOM 0 HG22 THR A 53 12.037 7.910 -4.805 1.00 0.00 H new ATOM 0 HG23 THR A 53 12.216 7.736 -6.567 1.00 0.00 H new ATOM 706 N LEU A 54 9.469 8.725 -4.665 1.00 0.00 N ATOM 707 CA LEU A 54 8.716 8.361 -3.470 1.00 0.00 C ATOM 708 C LEU A 54 9.213 7.039 -2.895 1.00 0.00 C ATOM 709 O LEU A 54 9.947 6.301 -3.553 1.00 0.00 O ATOM 710 CB LEU A 54 7.224 8.261 -3.794 1.00 0.00 C ATOM 711 CG LEU A 54 6.850 7.338 -4.955 1.00 0.00 C ATOM 712 CD1 LEU A 54 7.152 5.890 -4.605 1.00 0.00 C ATOM 713 CD2 LEU A 54 5.382 7.506 -5.318 1.00 0.00 C ATOM 0 H LEU A 54 9.398 8.053 -5.429 1.00 0.00 H new ATOM 0 HA LEU A 54 8.868 9.140 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.701 7.919 -2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.853 9.261 -4.017 1.00 0.00 H new ATOM 0 HG LEU A 54 7.452 7.613 -5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.879 5.249 -5.443 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.216 5.781 -4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.577 5.601 -3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.134 6.842 -6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.763 7.258 -4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.196 8.539 -5.613 1.00 0.00 H new ATOM 725 N SER A 55 8.807 6.744 -1.664 1.00 0.00 N ATOM 726 CA SER A 55 9.212 5.511 -1.000 1.00 0.00 C ATOM 727 C SER A 55 8.025 4.567 -0.835 1.00 0.00 C ATOM 728 O SER A 55 7.144 4.798 -0.006 1.00 0.00 O ATOM 729 CB SER A 55 9.826 5.821 0.367 1.00 0.00 C ATOM 730 OG SER A 55 10.880 6.761 0.251 1.00 0.00 O ATOM 0 H SER A 55 8.198 7.343 -1.106 1.00 0.00 H new ATOM 0 HA SER A 55 9.960 5.020 -1.623 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.058 6.212 1.034 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.202 4.902 0.817 1.00 0.00 H new ATOM 0 HG SER A 55 11.255 6.944 1.138 1.00 0.00 H new ATOM 736 N VAL A 56 8.009 3.503 -1.630 1.00 0.00 N ATOM 737 CA VAL A 56 6.931 2.522 -1.573 1.00 0.00 C ATOM 738 C VAL A 56 7.436 1.180 -1.054 1.00 0.00 C ATOM 739 O VAL A 56 8.470 0.679 -1.496 1.00 0.00 O ATOM 740 CB VAL A 56 6.286 2.315 -2.956 1.00 0.00 C ATOM 741 CG1 VAL A 56 7.356 2.198 -4.032 1.00 0.00 C ATOM 742 CG2 VAL A 56 5.391 1.085 -2.948 1.00 0.00 C ATOM 0 H VAL A 56 8.730 3.298 -2.322 1.00 0.00 H new ATOM 0 HA VAL A 56 6.182 2.915 -0.886 1.00 0.00 H new ATOM 0 HB VAL A 56 5.669 3.184 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.882 2.052 -5.002 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.952 3.110 -4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.002 1.348 -3.812 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.944 0.954 -3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.984 0.205 -2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.603 1.213 -2.206 1.00 0.00 H new ATOM 752 N THR A 57 6.699 0.601 -0.111 1.00 0.00 N ATOM 753 CA THR A 57 7.071 -0.682 0.470 1.00 0.00 C ATOM 754 C THR A 57 5.838 -1.520 0.790 1.00 0.00 C ATOM 755 O THR A 57 4.820 -0.994 1.240 1.00 0.00 O ATOM 756 CB THR A 57 7.900 -0.498 1.755 1.00 0.00 C ATOM 757 OG1 THR A 57 9.100 0.227 1.464 1.00 0.00 O ATOM 758 CG2 THR A 57 8.252 -1.844 2.370 1.00 0.00 C ATOM 0 H THR A 57 5.840 1.001 0.267 1.00 0.00 H new ATOM 0 HA THR A 57 7.676 -1.201 -0.273 1.00 0.00 H new ATOM 0 HB THR A 57 7.300 0.065 2.470 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.621 0.341 2.286 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.837 -1.688 3.276 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.337 -2.382 2.617 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.835 -2.428 1.658 1.00 0.00 H new ATOM 766 N ILE A 58 5.937 -2.824 0.555 1.00 0.00 N ATOM 767 CA ILE A 58 4.830 -3.733 0.821 1.00 0.00 C ATOM 768 C ILE A 58 5.247 -4.842 1.781 1.00 0.00 C ATOM 769 O ILE A 58 6.320 -5.426 1.640 1.00 0.00 O ATOM 770 CB ILE A 58 4.298 -4.368 -0.478 1.00 0.00 C ATOM 771 CG1 ILE A 58 3.871 -3.280 -1.465 1.00 0.00 C ATOM 772 CG2 ILE A 58 3.135 -5.301 -0.175 1.00 0.00 C ATOM 773 CD1 ILE A 58 3.785 -3.762 -2.896 1.00 0.00 C ATOM 0 H ILE A 58 6.772 -3.274 0.181 1.00 0.00 H new ATOM 0 HA ILE A 58 4.038 -3.139 1.277 1.00 0.00 H new ATOM 0 HB ILE A 58 5.098 -4.952 -0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.900 -2.888 -1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.579 -2.453 -1.411 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.771 -5.741 -1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.469 -6.093 0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.331 -4.738 0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.477 -2.938 -3.540 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.761 -4.127 -3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.055 -4.569 -2.965 1.00 0.00 H new ATOM 785 N GLU A 59 4.389 -5.127 2.756 1.00 0.00 N ATOM 786 CA GLU A 59 4.670 -6.166 3.739 1.00 0.00 C ATOM 787 C GLU A 59 3.616 -7.269 3.681 1.00 0.00 C ATOM 788 O GLU A 59 2.525 -7.072 3.148 1.00 0.00 O ATOM 789 CB GLU A 59 4.719 -5.568 5.147 1.00 0.00 C ATOM 790 CG GLU A 59 5.636 -6.322 6.096 1.00 0.00 C ATOM 791 CD GLU A 59 5.830 -5.600 7.416 1.00 0.00 C ATOM 792 OE1 GLU A 59 4.819 -5.336 8.100 1.00 0.00 O ATOM 793 OE2 GLU A 59 6.991 -5.300 7.764 1.00 0.00 O ATOM 0 H GLU A 59 3.495 -4.653 2.886 1.00 0.00 H new ATOM 0 HA GLU A 59 5.641 -6.601 3.502 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.050 -4.532 5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.711 -5.555 5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.222 -7.312 6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.606 -6.467 5.620 1.00 0.00 H new ATOM 800 N GLY A 60 3.952 -8.431 4.232 1.00 0.00 N ATOM 801 CA GLY A 60 3.026 -9.548 4.231 1.00 0.00 C ATOM 802 C GLY A 60 3.680 -10.844 4.670 1.00 0.00 C ATOM 803 O GLY A 60 4.888 -10.908 4.897 1.00 0.00 O ATOM 0 H GLY A 60 4.849 -8.619 4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.190 -9.324 4.894 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.614 -9.674 3.230 1.00 0.00 H new ATOM 807 N PRO A 61 2.870 -11.906 4.797 1.00 0.00 N ATOM 808 CA PRO A 61 3.355 -13.225 5.215 1.00 0.00 C ATOM 809 C PRO A 61 4.220 -13.888 4.148 1.00 0.00 C ATOM 810 O PRO A 61 5.114 -14.675 4.461 1.00 0.00 O ATOM 811 CB PRO A 61 2.068 -14.024 5.432 1.00 0.00 C ATOM 812 CG PRO A 61 1.059 -13.361 4.559 1.00 0.00 C ATOM 813 CD PRO A 61 1.420 -11.901 4.543 1.00 0.00 C ATOM 0 HA PRO A 61 3.989 -13.165 6.099 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.201 -15.071 5.159 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.761 -14.004 6.478 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.079 -13.779 3.553 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.051 -13.509 4.946 1.00 0.00 H new ATOM 0 HD2 PRO A 61 1.181 -11.438 3.585 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.880 -11.345 5.309 1.00 0.00 H new ATOM 821 N SER A 62 3.950 -13.565 2.888 1.00 0.00 N ATOM 822 CA SER A 62 4.702 -14.132 1.775 1.00 0.00 C ATOM 823 C SER A 62 5.199 -13.035 0.839 1.00 0.00 C ATOM 824 O SER A 62 4.420 -12.209 0.362 1.00 0.00 O ATOM 825 CB SER A 62 3.834 -15.125 0.999 1.00 0.00 C ATOM 826 OG SER A 62 3.835 -16.398 1.621 1.00 0.00 O ATOM 0 H SER A 62 3.216 -12.913 2.612 1.00 0.00 H new ATOM 0 HA SER A 62 5.566 -14.656 2.183 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.813 -14.748 0.936 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.204 -15.216 -0.022 1.00 0.00 H new ATOM 0 HG SER A 62 3.556 -17.079 0.973 1.00 0.00 H new ATOM 832 N LYS A 63 6.502 -13.032 0.581 1.00 0.00 N ATOM 833 CA LYS A 63 7.107 -12.038 -0.298 1.00 0.00 C ATOM 834 C LYS A 63 6.465 -12.074 -1.682 1.00 0.00 C ATOM 835 O LYS A 63 5.882 -13.082 -2.081 1.00 0.00 O ATOM 836 CB LYS A 63 8.613 -12.280 -0.416 1.00 0.00 C ATOM 837 CG LYS A 63 9.406 -11.770 0.775 1.00 0.00 C ATOM 838 CD LYS A 63 9.535 -10.256 0.752 1.00 0.00 C ATOM 839 CE LYS A 63 10.246 -9.738 1.993 1.00 0.00 C ATOM 840 NZ LYS A 63 9.794 -8.368 2.360 1.00 0.00 N ATOM 0 H LYS A 63 7.160 -13.708 0.969 1.00 0.00 H new ATOM 0 HA LYS A 63 6.937 -11.053 0.137 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.793 -13.349 -0.531 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.981 -11.796 -1.321 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.917 -12.080 1.699 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.398 -12.221 0.772 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.085 -9.950 -0.138 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.544 -9.806 0.685 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.063 -10.416 2.826 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.322 -9.731 1.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.302 -8.051 3.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.992 -7.715 1.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.772 -8.379 2.551 1.00 0.00 H new ATOM 854 N VAL A 64 6.579 -10.968 -2.411 1.00 0.00 N ATOM 855 CA VAL A 64 6.012 -10.874 -3.751 1.00 0.00 C ATOM 856 C VAL A 64 6.949 -10.125 -4.692 1.00 0.00 C ATOM 857 O VAL A 64 7.659 -9.208 -4.280 1.00 0.00 O ATOM 858 CB VAL A 64 4.645 -10.165 -3.734 1.00 0.00 C ATOM 859 CG1 VAL A 64 3.647 -10.948 -2.895 1.00 0.00 C ATOM 860 CG2 VAL A 64 4.789 -8.742 -3.215 1.00 0.00 C ATOM 0 H VAL A 64 7.059 -10.125 -2.096 1.00 0.00 H new ATOM 0 HA VAL A 64 5.879 -11.894 -4.111 1.00 0.00 H new ATOM 0 HB VAL A 64 4.267 -10.119 -4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.687 -10.431 -2.895 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.522 -11.946 -3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.016 -11.029 -1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.813 -8.256 -3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.189 -8.763 -2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.468 -8.186 -3.861 1.00 0.00 H new ATOM 870 N LYS A 65 6.946 -10.522 -5.960 1.00 0.00 N ATOM 871 CA LYS A 65 7.794 -9.888 -6.963 1.00 0.00 C ATOM 872 C LYS A 65 7.162 -8.596 -7.471 1.00 0.00 C ATOM 873 O LYS A 65 6.325 -8.616 -8.373 1.00 0.00 O ATOM 874 CB LYS A 65 8.036 -10.844 -8.133 1.00 0.00 C ATOM 875 CG LYS A 65 9.058 -10.333 -9.134 1.00 0.00 C ATOM 876 CD LYS A 65 10.479 -10.538 -8.635 1.00 0.00 C ATOM 877 CE LYS A 65 11.424 -9.488 -9.197 1.00 0.00 C ATOM 878 NZ LYS A 65 11.986 -9.895 -10.514 1.00 0.00 N ATOM 0 H LYS A 65 6.365 -11.280 -6.318 1.00 0.00 H new ATOM 0 HA LYS A 65 8.749 -9.646 -6.496 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.371 -11.805 -7.743 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.092 -11.021 -8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.927 -10.850 -10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.887 -9.273 -9.321 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.493 -10.496 -7.546 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.826 -11.531 -8.920 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.893 -8.542 -9.306 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.238 -9.317 -8.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.625 -9.153 -10.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.515 -10.784 -10.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.212 -10.033 -11.194 1.00 0.00 H new ATOM 892 N MET A 66 7.571 -7.474 -6.887 1.00 0.00 N ATOM 893 CA MET A 66 7.047 -6.172 -7.284 1.00 0.00 C ATOM 894 C MET A 66 7.526 -5.796 -8.682 1.00 0.00 C ATOM 895 O MET A 66 8.695 -5.983 -9.019 1.00 0.00 O ATOM 896 CB MET A 66 7.474 -5.099 -6.280 1.00 0.00 C ATOM 897 CG MET A 66 6.597 -5.044 -5.040 1.00 0.00 C ATOM 898 SD MET A 66 7.346 -4.096 -3.701 1.00 0.00 S ATOM 899 CE MET A 66 7.456 -2.475 -4.455 1.00 0.00 C ATOM 0 H MET A 66 8.263 -7.440 -6.138 1.00 0.00 H new ATOM 0 HA MET A 66 5.959 -6.235 -7.297 1.00 0.00 H new ATOM 0 HB2 MET A 66 8.505 -5.285 -5.978 1.00 0.00 H new ATOM 0 HB3 MET A 66 7.456 -4.126 -6.771 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.635 -4.602 -5.299 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.398 -6.059 -4.695 1.00 0.00 H new ATOM 0 HE1 MET A 66 7.749 -1.743 -3.703 1.00 0.00 H new ATOM 0 HE2 MET A 66 8.199 -2.494 -5.252 1.00 0.00 H new ATOM 0 HE3 MET A 66 6.486 -2.200 -4.870 1.00 0.00 H new ATOM 909 N ASP A 67 6.615 -5.266 -9.492 1.00 0.00 N ATOM 910 CA ASP A 67 6.946 -4.863 -10.854 1.00 0.00 C ATOM 911 C ASP A 67 6.526 -3.419 -11.110 1.00 0.00 C ATOM 912 O ASP A 67 6.064 -3.081 -12.201 1.00 0.00 O ATOM 913 CB ASP A 67 6.267 -5.791 -11.862 1.00 0.00 C ATOM 914 CG ASP A 67 7.055 -5.923 -13.150 1.00 0.00 C ATOM 915 OD1 ASP A 67 7.625 -4.908 -13.604 1.00 0.00 O ATOM 916 OD2 ASP A 67 7.103 -7.041 -13.704 1.00 0.00 O ATOM 0 H ASP A 67 5.643 -5.106 -9.229 1.00 0.00 H new ATOM 0 HA ASP A 67 8.027 -4.935 -10.976 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.139 -6.777 -11.415 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.270 -5.411 -12.087 1.00 0.00 H new ATOM 921 N CYS A 68 6.687 -2.573 -10.099 1.00 0.00 N ATOM 922 CA CYS A 68 6.323 -1.165 -10.215 1.00 0.00 C ATOM 923 C CYS A 68 6.791 -0.590 -11.547 1.00 0.00 C ATOM 924 O CYS A 68 7.989 -0.522 -11.818 1.00 0.00 O ATOM 925 CB CYS A 68 6.927 -0.365 -9.060 1.00 0.00 C ATOM 926 SG CYS A 68 8.733 -0.284 -9.082 1.00 0.00 S ATOM 0 H CYS A 68 7.067 -2.837 -9.190 1.00 0.00 H new ATOM 0 HA CYS A 68 5.236 -1.091 -10.170 1.00 0.00 H new ATOM 0 HB2 CYS A 68 6.528 0.649 -9.087 1.00 0.00 H new ATOM 0 HB3 CYS A 68 6.605 -0.809 -8.118 1.00 0.00 H new ATOM 0 HG CYS A 68 9.162 -0.485 -10.293 1.00 0.00 H new ATOM 932 N GLN A 69 5.836 -0.179 -12.376 1.00 0.00 N ATOM 933 CA GLN A 69 6.151 0.388 -13.682 1.00 0.00 C ATOM 934 C GLN A 69 5.758 1.860 -13.745 1.00 0.00 C ATOM 935 O GLN A 69 4.597 2.211 -13.542 1.00 0.00 O ATOM 936 CB GLN A 69 5.435 -0.391 -14.786 1.00 0.00 C ATOM 937 CG GLN A 69 6.199 -1.616 -15.261 1.00 0.00 C ATOM 938 CD GLN A 69 7.250 -1.282 -16.301 1.00 0.00 C ATOM 939 OE1 GLN A 69 6.983 -0.558 -17.260 1.00 0.00 O ATOM 940 NE2 GLN A 69 8.456 -1.808 -16.115 1.00 0.00 N ATOM 0 H GLN A 69 4.839 -0.228 -12.166 1.00 0.00 H new ATOM 0 HA GLN A 69 7.228 0.311 -13.833 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.456 -0.702 -14.423 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.264 0.272 -15.634 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.678 -2.094 -14.407 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.497 -2.338 -15.678 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.634 -2.403 -15.306 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.204 -1.617 -16.781 1.00 0.00 H new ATOM 949 N GLU A 70 6.735 2.717 -14.029 1.00 0.00 N ATOM 950 CA GLU A 70 6.490 4.151 -14.117 1.00 0.00 C ATOM 951 C GLU A 70 5.351 4.450 -15.088 1.00 0.00 C ATOM 952 O GLU A 70 5.138 3.722 -16.058 1.00 0.00 O ATOM 953 CB GLU A 70 7.759 4.881 -14.563 1.00 0.00 C ATOM 954 CG GLU A 70 8.103 4.664 -16.027 1.00 0.00 C ATOM 955 CD GLU A 70 8.980 5.766 -16.590 1.00 0.00 C ATOM 956 OE1 GLU A 70 10.214 5.687 -16.422 1.00 0.00 O ATOM 957 OE2 GLU A 70 8.430 6.708 -17.199 1.00 0.00 O ATOM 0 H GLU A 70 7.702 2.443 -14.202 1.00 0.00 H new ATOM 0 HA GLU A 70 6.203 4.506 -13.127 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.637 5.949 -14.382 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.595 4.547 -13.949 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.612 3.707 -16.139 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.182 4.605 -16.608 1.00 0.00 H new ATOM 964 N THR A 71 4.619 5.527 -14.819 1.00 0.00 N ATOM 965 CA THR A 71 3.500 5.921 -15.665 1.00 0.00 C ATOM 966 C THR A 71 3.437 7.436 -15.822 1.00 0.00 C ATOM 967 O THR A 71 3.903 8.193 -14.970 1.00 0.00 O ATOM 968 CB THR A 71 2.160 5.420 -15.096 1.00 0.00 C ATOM 969 OG1 THR A 71 2.111 5.650 -13.683 1.00 0.00 O ATOM 970 CG2 THR A 71 1.972 3.937 -15.379 1.00 0.00 C ATOM 0 H THR A 71 4.782 6.142 -14.021 1.00 0.00 H new ATOM 0 HA THR A 71 3.665 5.463 -16.640 1.00 0.00 H new ATOM 0 HB THR A 71 1.356 5.972 -15.582 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.255 5.330 -13.329 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.018 3.606 -14.967 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.981 3.768 -16.456 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.782 3.373 -14.917 1.00 0.00 H new ATOM 978 N PRO A 72 2.848 7.893 -16.937 1.00 0.00 N ATOM 979 CA PRO A 72 2.709 9.322 -17.231 1.00 0.00 C ATOM 980 C PRO A 72 1.712 10.010 -16.305 1.00 0.00 C ATOM 981 O PRO A 72 1.565 11.231 -16.336 1.00 0.00 O ATOM 982 CB PRO A 72 2.198 9.339 -18.674 1.00 0.00 C ATOM 983 CG PRO A 72 1.513 8.028 -18.850 1.00 0.00 C ATOM 984 CD PRO A 72 2.270 7.048 -17.997 1.00 0.00 C ATOM 0 HA PRO A 72 3.646 9.860 -17.090 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.512 10.169 -18.841 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.018 9.455 -19.383 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.469 8.089 -18.542 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.520 7.722 -19.896 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.613 6.281 -17.586 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.043 6.533 -18.567 1.00 0.00 H new ATOM 992 N GLU A 73 1.031 9.218 -15.483 1.00 0.00 N ATOM 993 CA GLU A 73 0.048 9.753 -14.548 1.00 0.00 C ATOM 994 C GLU A 73 0.671 9.982 -13.174 1.00 0.00 C ATOM 995 O GLU A 73 0.556 11.064 -12.600 1.00 0.00 O ATOM 996 CB GLU A 73 -1.145 8.802 -14.428 1.00 0.00 C ATOM 997 CG GLU A 73 -2.374 9.442 -13.805 1.00 0.00 C ATOM 998 CD GLU A 73 -3.661 8.754 -14.215 1.00 0.00 C ATOM 999 OE1 GLU A 73 -3.614 7.549 -14.537 1.00 0.00 O ATOM 1000 OE2 GLU A 73 -4.717 9.422 -14.213 1.00 0.00 O ATOM 0 H GLU A 73 1.142 8.205 -15.445 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.298 10.712 -14.934 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.403 8.430 -15.419 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.852 7.939 -13.830 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.282 9.415 -12.719 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.419 10.492 -14.095 1.00 0.00 H new ATOM 1007 N GLY A 74 1.332 8.953 -12.652 1.00 0.00 N ATOM 1008 CA GLY A 74 1.964 9.060 -11.350 1.00 0.00 C ATOM 1009 C GLY A 74 2.901 7.904 -11.063 1.00 0.00 C ATOM 1010 O GLY A 74 4.116 8.027 -11.220 1.00 0.00 O ATOM 0 H GLY A 74 1.441 8.047 -13.108 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.520 9.996 -11.295 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.195 9.100 -10.579 1.00 0.00 H new ATOM 1014 N TYR A 75 2.337 6.779 -10.639 1.00 0.00 N ATOM 1015 CA TYR A 75 3.131 5.597 -10.325 1.00 0.00 C ATOM 1016 C TYR A 75 2.242 4.365 -10.183 1.00 0.00 C ATOM 1017 O TYR A 75 1.497 4.230 -9.212 1.00 0.00 O ATOM 1018 CB TYR A 75 3.925 5.818 -9.036 1.00 0.00 C ATOM 1019 CG TYR A 75 5.148 6.687 -9.220 1.00 0.00 C ATOM 1020 CD1 TYR A 75 6.297 6.185 -9.819 1.00 0.00 C ATOM 1021 CD2 TYR A 75 5.157 8.009 -8.793 1.00 0.00 C ATOM 1022 CE1 TYR A 75 7.418 6.975 -9.989 1.00 0.00 C ATOM 1023 CE2 TYR A 75 6.272 8.807 -8.960 1.00 0.00 C ATOM 1024 CZ TYR A 75 7.400 8.285 -9.558 1.00 0.00 C ATOM 1025 OH TYR A 75 8.514 9.076 -9.725 1.00 0.00 O ATOM 0 H TYR A 75 1.333 6.660 -10.505 1.00 0.00 H new ATOM 0 HA TYR A 75 3.826 5.428 -11.148 1.00 0.00 H new ATOM 0 HB2 TYR A 75 3.273 6.275 -8.292 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.233 4.851 -8.639 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.314 5.160 -10.158 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.276 8.420 -8.322 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.303 6.569 -10.457 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.261 9.833 -8.624 1.00 0.00 H new ATOM 0 HH TYR A 75 8.573 9.718 -8.987 1.00 0.00 H new ATOM 1035 N LYS A 76 2.326 3.468 -11.159 1.00 0.00 N ATOM 1036 CA LYS A 76 1.532 2.245 -11.145 1.00 0.00 C ATOM 1037 C LYS A 76 2.340 1.078 -10.587 1.00 0.00 C ATOM 1038 O LYS A 76 3.442 0.792 -11.056 1.00 0.00 O ATOM 1039 CB LYS A 76 1.045 1.913 -12.558 1.00 0.00 C ATOM 1040 CG LYS A 76 0.401 0.542 -12.672 1.00 0.00 C ATOM 1041 CD LYS A 76 0.276 0.104 -14.122 1.00 0.00 C ATOM 1042 CE LYS A 76 -0.798 -0.960 -14.292 1.00 0.00 C ATOM 1043 NZ LYS A 76 -0.678 -1.666 -15.597 1.00 0.00 N ATOM 0 H LYS A 76 2.936 3.565 -11.970 1.00 0.00 H new ATOM 0 HA LYS A 76 0.670 2.408 -10.499 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.327 2.670 -12.873 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.888 1.968 -13.246 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.995 -0.187 -12.121 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.586 0.563 -12.211 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.037 0.966 -14.744 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.233 -0.285 -14.470 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.724 -1.683 -13.480 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.782 -0.497 -14.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.428 -2.383 -15.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.774 -0.980 -16.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.251 -2.129 -15.657 1.00 0.00 H new ATOM 1057 N VAL A 77 1.785 0.406 -9.583 1.00 0.00 N ATOM 1058 CA VAL A 77 2.454 -0.732 -8.963 1.00 0.00 C ATOM 1059 C VAL A 77 1.562 -1.968 -8.979 1.00 0.00 C ATOM 1060 O VAL A 77 0.352 -1.876 -8.778 1.00 0.00 O ATOM 1061 CB VAL A 77 2.857 -0.422 -7.509 1.00 0.00 C ATOM 1062 CG1 VAL A 77 3.437 -1.658 -6.840 1.00 0.00 C ATOM 1063 CG2 VAL A 77 3.847 0.732 -7.466 1.00 0.00 C ATOM 0 H VAL A 77 0.874 0.630 -9.182 1.00 0.00 H new ATOM 0 HA VAL A 77 3.353 -0.928 -9.547 1.00 0.00 H new ATOM 0 HB VAL A 77 1.964 -0.126 -6.958 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.716 -1.419 -5.814 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.692 -2.454 -6.838 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.319 -1.988 -7.388 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.121 0.938 -6.431 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.740 0.467 -8.032 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.390 1.620 -7.904 1.00 0.00 H new ATOM 1073 N MET A 78 2.169 -3.126 -9.220 1.00 0.00 N ATOM 1074 CA MET A 78 1.430 -4.382 -9.261 1.00 0.00 C ATOM 1075 C MET A 78 2.140 -5.457 -8.443 1.00 0.00 C ATOM 1076 O MET A 78 3.367 -5.553 -8.459 1.00 0.00 O ATOM 1077 CB MET A 78 1.262 -4.853 -10.706 1.00 0.00 C ATOM 1078 CG MET A 78 0.657 -3.801 -11.622 1.00 0.00 C ATOM 1079 SD MET A 78 1.054 -4.079 -13.358 1.00 0.00 S ATOM 1080 CE MET A 78 2.593 -3.173 -13.503 1.00 0.00 C ATOM 0 H MET A 78 3.170 -3.220 -9.390 1.00 0.00 H new ATOM 0 HA MET A 78 0.445 -4.210 -8.826 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.235 -5.149 -11.099 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.630 -5.741 -10.719 1.00 0.00 H new ATOM 0 HG2 MET A 78 -0.426 -3.796 -11.497 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.017 -2.816 -11.325 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.966 -3.250 -14.524 1.00 0.00 H new ATOM 0 HE2 MET A 78 2.423 -2.125 -13.257 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.328 -3.592 -12.816 1.00 0.00 H new ATOM 1090 N TYR A 79 1.360 -6.262 -7.730 1.00 0.00 N ATOM 1091 CA TYR A 79 1.915 -7.328 -6.903 1.00 0.00 C ATOM 1092 C TYR A 79 1.023 -8.565 -6.940 1.00 0.00 C ATOM 1093 O TYR A 79 -0.202 -8.466 -6.857 1.00 0.00 O ATOM 1094 CB TYR A 79 2.083 -6.848 -5.461 1.00 0.00 C ATOM 1095 CG TYR A 79 0.772 -6.590 -4.752 1.00 0.00 C ATOM 1096 CD1 TYR A 79 0.101 -5.384 -4.909 1.00 0.00 C ATOM 1097 CD2 TYR A 79 0.205 -7.553 -3.926 1.00 0.00 C ATOM 1098 CE1 TYR A 79 -1.096 -5.144 -4.262 1.00 0.00 C ATOM 1099 CE2 TYR A 79 -0.992 -7.322 -3.277 1.00 0.00 C ATOM 1100 CZ TYR A 79 -1.639 -6.116 -3.448 1.00 0.00 C ATOM 1101 OH TYR A 79 -2.832 -5.880 -2.804 1.00 0.00 O ATOM 0 H TYR A 79 0.342 -6.197 -7.708 1.00 0.00 H new ATOM 0 HA TYR A 79 2.892 -7.595 -7.305 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.648 -7.594 -4.902 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.674 -5.932 -5.458 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.522 -4.621 -5.547 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.709 -8.498 -3.789 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -1.604 -4.200 -4.393 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.419 -8.082 -2.639 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.286 -5.120 -3.224 1.00 0.00 H new ATOM 1111 N THR A 80 1.646 -9.733 -7.063 1.00 0.00 N ATOM 1112 CA THR A 80 0.911 -10.990 -7.111 1.00 0.00 C ATOM 1113 C THR A 80 1.269 -11.881 -5.927 1.00 0.00 C ATOM 1114 O THR A 80 2.245 -12.631 -5.956 1.00 0.00 O ATOM 1115 CB THR A 80 1.191 -11.755 -8.418 1.00 0.00 C ATOM 1116 OG1 THR A 80 0.674 -11.023 -9.535 1.00 0.00 O ATOM 1117 CG2 THR A 80 0.564 -13.141 -8.379 1.00 0.00 C ATOM 0 H THR A 80 2.659 -9.834 -7.131 1.00 0.00 H new ATOM 0 HA THR A 80 -0.149 -10.739 -7.066 1.00 0.00 H new ATOM 0 HB THR A 80 2.270 -11.865 -8.525 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.858 -11.515 -10.362 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.775 -13.662 -9.313 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.982 -13.706 -7.546 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.515 -13.049 -8.251 1.00 0.00 H new ATOM 1125 N PRO A 81 0.461 -11.801 -4.859 1.00 0.00 N ATOM 1126 CA PRO A 81 0.672 -12.595 -3.645 1.00 0.00 C ATOM 1127 C PRO A 81 0.394 -14.078 -3.867 1.00 0.00 C ATOM 1128 O PRO A 81 -0.703 -14.459 -4.273 1.00 0.00 O ATOM 1129 CB PRO A 81 -0.334 -12.004 -2.655 1.00 0.00 C ATOM 1130 CG PRO A 81 -1.406 -11.418 -3.509 1.00 0.00 C ATOM 1131 CD PRO A 81 -0.721 -10.929 -4.755 1.00 0.00 C ATOM 0 HA PRO A 81 1.705 -12.548 -3.302 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.732 -12.770 -1.990 1.00 0.00 H new ATOM 0 HB3 PRO A 81 0.130 -11.245 -2.025 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.166 -12.162 -3.748 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.911 -10.600 -2.995 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.365 -11.019 -5.630 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -0.440 -9.879 -4.673 1.00 0.00 H new ATOM 1139 N MET A 82 1.395 -14.910 -3.597 1.00 0.00 N ATOM 1140 CA MET A 82 1.256 -16.352 -3.766 1.00 0.00 C ATOM 1141 C MET A 82 0.371 -16.944 -2.674 1.00 0.00 C ATOM 1142 O MET A 82 -0.367 -17.900 -2.911 1.00 0.00 O ATOM 1143 CB MET A 82 2.630 -17.024 -3.745 1.00 0.00 C ATOM 1144 CG MET A 82 2.645 -18.397 -4.396 1.00 0.00 C ATOM 1145 SD MET A 82 4.294 -18.896 -4.928 1.00 0.00 S ATOM 1146 CE MET A 82 5.192 -18.803 -3.380 1.00 0.00 C ATOM 0 H MET A 82 2.310 -14.611 -3.261 1.00 0.00 H new ATOM 0 HA MET A 82 0.784 -16.536 -4.731 1.00 0.00 H new ATOM 0 HB2 MET A 82 3.347 -16.381 -4.255 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.964 -17.117 -2.712 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.257 -19.133 -3.692 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.975 -18.394 -5.256 1.00 0.00 H new ATOM 0 HE1 MET A 82 6.178 -19.250 -3.504 1.00 0.00 H new ATOM 0 HE2 MET A 82 5.301 -17.759 -3.085 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.644 -19.343 -2.608 1.00 0.00 H new ATOM 1156 N ALA A 83 0.450 -16.371 -1.477 1.00 0.00 N ATOM 1157 CA ALA A 83 -0.345 -16.841 -0.350 1.00 0.00 C ATOM 1158 C ALA A 83 -1.123 -15.696 0.288 1.00 0.00 C ATOM 1159 O ALA A 83 -0.645 -14.565 0.384 1.00 0.00 O ATOM 1160 CB ALA A 83 0.548 -17.515 0.681 1.00 0.00 C ATOM 0 H ALA A 83 1.057 -15.580 -1.263 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.064 -17.570 -0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.059 -17.861 1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.054 -18.365 0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.290 -16.802 1.042 1.00 0.00 H new ATOM 1166 N PRO A 84 -2.353 -15.992 0.736 1.00 0.00 N ATOM 1167 CA PRO A 84 -3.224 -15.000 1.373 1.00 0.00 C ATOM 1168 C PRO A 84 -2.717 -14.582 2.749 1.00 0.00 C ATOM 1169 O PRO A 84 -1.681 -15.059 3.211 1.00 0.00 O ATOM 1170 CB PRO A 84 -4.563 -15.730 1.495 1.00 0.00 C ATOM 1171 CG PRO A 84 -4.205 -17.176 1.524 1.00 0.00 C ATOM 1172 CD PRO A 84 -2.987 -17.318 0.654 1.00 0.00 C ATOM 0 HA PRO A 84 -3.278 -14.076 0.798 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.093 -15.435 2.400 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.217 -15.501 0.654 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.998 -17.507 2.542 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -5.025 -17.789 1.150 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -2.324 -18.104 1.016 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -3.253 -17.573 -0.372 1.00 0.00 H new ATOM 1180 N GLY A 85 -3.455 -13.689 3.401 1.00 0.00 N ATOM 1181 CA GLY A 85 -3.064 -13.223 4.719 1.00 0.00 C ATOM 1182 C GLY A 85 -3.327 -11.743 4.912 1.00 0.00 C ATOM 1183 O GLY A 85 -4.395 -11.244 4.560 1.00 0.00 O ATOM 0 H GLY A 85 -4.317 -13.280 3.040 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.608 -13.787 5.477 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.004 -13.423 4.872 1.00 0.00 H new ATOM 1187 N ASN A 86 -2.350 -11.039 5.474 1.00 0.00 N ATOM 1188 CA ASN A 86 -2.481 -9.606 5.715 1.00 0.00 C ATOM 1189 C ASN A 86 -1.300 -8.844 5.122 1.00 0.00 C ATOM 1190 O ASN A 86 -0.177 -8.934 5.619 1.00 0.00 O ATOM 1191 CB ASN A 86 -2.581 -9.328 7.216 1.00 0.00 C ATOM 1192 CG ASN A 86 -1.627 -10.184 8.027 1.00 0.00 C ATOM 1193 OD1 ASN A 86 -0.519 -10.487 7.585 1.00 0.00 O ATOM 1194 ND2 ASN A 86 -2.055 -10.578 9.221 1.00 0.00 N ATOM 0 H ASN A 86 -1.459 -11.437 5.771 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.393 -9.262 5.227 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.369 -8.275 7.403 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.602 -9.511 7.550 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.457 -11.156 9.812 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.982 -10.303 9.547 1.00 0.00 H new ATOM 1201 N TYR A 87 -1.562 -8.093 4.058 1.00 0.00 N ATOM 1202 CA TYR A 87 -0.521 -7.317 3.396 1.00 0.00 C ATOM 1203 C TYR A 87 -0.670 -5.830 3.705 1.00 0.00 C ATOM 1204 O TYR A 87 -1.780 -5.296 3.721 1.00 0.00 O ATOM 1205 CB TYR A 87 -0.570 -7.542 1.884 1.00 0.00 C ATOM 1206 CG TYR A 87 -0.095 -8.914 1.461 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -0.718 -10.063 1.933 1.00 0.00 C ATOM 1208 CD2 TYR A 87 0.977 -9.061 0.589 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -0.287 -11.318 1.550 1.00 0.00 C ATOM 1210 CE2 TYR A 87 1.414 -10.312 0.199 1.00 0.00 C ATOM 1211 CZ TYR A 87 0.779 -11.437 0.682 1.00 0.00 C ATOM 1212 OH TYR A 87 1.212 -12.686 0.297 1.00 0.00 O ATOM 0 H TYR A 87 -2.486 -8.005 3.636 1.00 0.00 H new ATOM 0 HA TYR A 87 0.444 -7.654 3.775 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -1.593 -7.398 1.536 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.043 -6.787 1.393 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.554 -9.973 2.611 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.477 -8.182 0.210 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.781 -12.201 1.928 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.248 -10.409 -0.480 1.00 0.00 H new ATOM 0 HH TYR A 87 0.531 -13.353 0.525 1.00 0.00 H new ATOM 1222 N LEU A 88 0.455 -5.167 3.949 1.00 0.00 N ATOM 1223 CA LEU A 88 0.451 -3.741 4.257 1.00 0.00 C ATOM 1224 C LEU A 88 1.152 -2.945 3.161 1.00 0.00 C ATOM 1225 O LEU A 88 2.171 -3.378 2.621 1.00 0.00 O ATOM 1226 CB LEU A 88 1.133 -3.488 5.603 1.00 0.00 C ATOM 1227 CG LEU A 88 0.714 -2.215 6.339 1.00 0.00 C ATOM 1228 CD1 LEU A 88 -0.554 -2.457 7.144 1.00 0.00 C ATOM 1229 CD2 LEU A 88 1.836 -1.728 7.243 1.00 0.00 C ATOM 0 H LEU A 88 1.381 -5.594 3.940 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.586 -3.410 4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.937 -4.341 6.253 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.210 -3.452 5.441 1.00 0.00 H new ATOM 0 HG LEU A 88 0.509 -1.441 5.599 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.837 -1.540 7.661 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.359 -2.759 6.473 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.376 -3.246 7.875 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.520 -0.821 7.759 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.073 -2.499 7.976 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.720 -1.514 6.643 1.00 0.00 H new ATOM 1241 N ILE A 89 0.601 -1.780 2.839 1.00 0.00 N ATOM 1242 CA ILE A 89 1.176 -0.923 1.809 1.00 0.00 C ATOM 1243 C ILE A 89 1.391 0.494 2.331 1.00 0.00 C ATOM 1244 O ILE A 89 0.433 1.225 2.583 1.00 0.00 O ATOM 1245 CB ILE A 89 0.280 -0.867 0.558 1.00 0.00 C ATOM 1246 CG1 ILE A 89 -0.083 -2.281 0.101 1.00 0.00 C ATOM 1247 CG2 ILE A 89 0.978 -0.106 -0.559 1.00 0.00 C ATOM 1248 CD1 ILE A 89 -1.110 -2.312 -1.009 1.00 0.00 C ATOM 0 H ILE A 89 -0.242 -1.408 3.276 1.00 0.00 H new ATOM 0 HA ILE A 89 2.138 -1.358 1.537 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.640 -0.340 0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.821 -2.788 -0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.464 -2.843 0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.332 -0.075 -1.437 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.191 0.911 -0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.912 -0.608 -0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.319 -3.346 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.028 -1.834 -0.668 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.724 -1.778 -1.877 1.00 0.00 H new ATOM 1260 N SER A 90 2.654 0.876 2.488 1.00 0.00 N ATOM 1261 CA SER A 90 2.995 2.205 2.982 1.00 0.00 C ATOM 1262 C SER A 90 3.581 3.065 1.866 1.00 0.00 C ATOM 1263 O SER A 90 4.544 2.674 1.206 1.00 0.00 O ATOM 1264 CB SER A 90 3.991 2.103 4.139 1.00 0.00 C ATOM 1265 OG SER A 90 5.286 1.773 3.669 1.00 0.00 O ATOM 0 H SER A 90 3.458 0.284 2.280 1.00 0.00 H new ATOM 0 HA SER A 90 2.081 2.678 3.340 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.026 3.050 4.677 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.654 1.346 4.848 1.00 0.00 H new ATOM 0 HG SER A 90 5.355 1.995 2.717 1.00 0.00 H new ATOM 1271 N VAL A 91 2.993 4.239 1.661 1.00 0.00 N ATOM 1272 CA VAL A 91 3.456 5.156 0.626 1.00 0.00 C ATOM 1273 C VAL A 91 3.874 6.494 1.225 1.00 0.00 C ATOM 1274 O VAL A 91 3.032 7.329 1.557 1.00 0.00 O ATOM 1275 CB VAL A 91 2.369 5.399 -0.437 1.00 0.00 C ATOM 1276 CG1 VAL A 91 2.905 6.272 -1.560 1.00 0.00 C ATOM 1277 CG2 VAL A 91 1.851 4.076 -0.980 1.00 0.00 C ATOM 0 H VAL A 91 2.195 4.578 2.198 1.00 0.00 H new ATOM 0 HA VAL A 91 4.318 4.688 0.151 1.00 0.00 H new ATOM 0 HB VAL A 91 1.537 5.924 0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.122 6.432 -2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.223 7.232 -1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.755 5.778 -2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.083 4.266 -1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.673 3.522 -1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.425 3.490 -0.165 1.00 0.00 H new ATOM 1287 N LYS A 92 5.181 6.694 1.360 1.00 0.00 N ATOM 1288 CA LYS A 92 5.713 7.931 1.917 1.00 0.00 C ATOM 1289 C LYS A 92 6.344 8.791 0.827 1.00 0.00 C ATOM 1290 O LYS A 92 7.346 8.408 0.222 1.00 0.00 O ATOM 1291 CB LYS A 92 6.748 7.623 3.002 1.00 0.00 C ATOM 1292 CG LYS A 92 6.173 6.888 4.199 1.00 0.00 C ATOM 1293 CD LYS A 92 6.963 7.178 5.464 1.00 0.00 C ATOM 1294 CE LYS A 92 8.209 6.310 5.554 1.00 0.00 C ATOM 1295 NZ LYS A 92 9.055 6.674 6.725 1.00 0.00 N ATOM 0 H LYS A 92 5.892 6.014 1.091 1.00 0.00 H new ATOM 0 HA LYS A 92 4.886 8.486 2.360 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.549 7.024 2.569 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.196 8.557 3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 92 5.133 7.182 4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.177 5.815 4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.249 8.230 5.483 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.333 7.003 6.336 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.917 5.262 5.628 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.791 6.415 4.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.002 6.952 6.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.619 7.469 7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.136 5.856 7.363 1.00 0.00 H new ATOM 1309 N TYR A 93 5.754 9.956 0.582 1.00 0.00 N ATOM 1310 CA TYR A 93 6.258 10.870 -0.436 1.00 0.00 C ATOM 1311 C TYR A 93 6.743 12.172 0.194 1.00 0.00 C ATOM 1312 O TYR A 93 6.017 12.819 0.948 1.00 0.00 O ATOM 1313 CB TYR A 93 5.171 11.164 -1.471 1.00 0.00 C ATOM 1314 CG TYR A 93 5.546 12.255 -2.449 1.00 0.00 C ATOM 1315 CD1 TYR A 93 6.576 12.071 -3.363 1.00 0.00 C ATOM 1316 CD2 TYR A 93 4.870 13.469 -2.459 1.00 0.00 C ATOM 1317 CE1 TYR A 93 6.922 13.065 -4.258 1.00 0.00 C ATOM 1318 CE2 TYR A 93 5.208 14.467 -3.351 1.00 0.00 C ATOM 1319 CZ TYR A 93 6.235 14.261 -4.248 1.00 0.00 C ATOM 1320 OH TYR A 93 6.576 15.254 -5.138 1.00 0.00 O ATOM 0 H TYR A 93 4.926 10.290 1.075 1.00 0.00 H new ATOM 0 HA TYR A 93 7.102 10.391 -0.933 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.952 10.251 -2.025 1.00 0.00 H new ATOM 0 HB3 TYR A 93 4.256 11.451 -0.953 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.115 11.135 -3.374 1.00 0.00 H new ATOM 0 HD2 TYR A 93 4.066 13.635 -1.757 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.726 12.906 -4.962 1.00 0.00 H new ATOM 0 HE2 TYR A 93 4.671 15.404 -3.346 1.00 0.00 H new ATOM 0 HH TYR A 93 6.221 15.034 -6.025 1.00 0.00 H new ATOM 1330 N GLY A 94 7.978 12.552 -0.123 1.00 0.00 N ATOM 1331 CA GLY A 94 8.540 13.775 0.418 1.00 0.00 C ATOM 1332 C GLY A 94 9.399 13.527 1.642 1.00 0.00 C ATOM 1333 O GLY A 94 10.610 13.743 1.614 1.00 0.00 O ATOM 0 H GLY A 94 8.599 12.034 -0.745 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.139 14.266 -0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 94 7.732 14.459 0.678 1.00 0.00 H new ATOM 1337 N GLY A 95 8.771 13.072 2.722 1.00 0.00 N ATOM 1338 CA GLY A 95 9.501 12.803 3.947 1.00 0.00 C ATOM 1339 C GLY A 95 8.980 11.580 4.676 1.00 0.00 C ATOM 1340 O GLY A 95 8.287 10.738 4.105 1.00 0.00 O ATOM 0 H GLY A 95 7.769 12.885 2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.556 12.661 3.714 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.434 13.670 4.604 1.00 0.00 H new ATOM 1344 N PRO A 96 9.317 11.470 5.970 1.00 0.00 N ATOM 1345 CA PRO A 96 8.890 10.344 6.806 1.00 0.00 C ATOM 1346 C PRO A 96 7.393 10.373 7.097 1.00 0.00 C ATOM 1347 O PRO A 96 6.877 9.527 7.825 1.00 0.00 O ATOM 1348 CB PRO A 96 9.689 10.537 8.097 1.00 0.00 C ATOM 1349 CG PRO A 96 9.983 11.997 8.146 1.00 0.00 C ATOM 1350 CD PRO A 96 10.140 12.436 6.716 1.00 0.00 C ATOM 0 HA PRO A 96 9.067 9.385 6.319 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.116 10.219 8.968 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.606 9.949 8.086 1.00 0.00 H new ATOM 0 HG2 PRO A 96 9.175 12.542 8.635 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.891 12.193 8.716 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.792 13.458 6.569 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.182 12.406 6.398 1.00 0.00 H new ATOM 1358 N ASN A 97 6.702 11.352 6.522 1.00 0.00 N ATOM 1359 CA ASN A 97 5.264 11.491 6.720 1.00 0.00 C ATOM 1360 C ASN A 97 4.491 10.744 5.638 1.00 0.00 C ATOM 1361 O ASN A 97 4.537 11.109 4.463 1.00 0.00 O ATOM 1362 CB ASN A 97 4.868 12.969 6.718 1.00 0.00 C ATOM 1363 CG ASN A 97 5.805 13.820 7.553 1.00 0.00 C ATOM 1364 OD1 ASN A 97 6.471 13.322 8.461 1.00 0.00 O ATOM 1365 ND2 ASN A 97 5.859 15.111 7.250 1.00 0.00 N ATOM 0 H ASN A 97 7.115 12.061 5.915 1.00 0.00 H new ATOM 0 HA ASN A 97 5.012 11.056 7.687 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.862 13.339 5.693 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.852 13.071 7.100 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.470 15.734 7.778 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.289 15.481 6.489 1.00 0.00 H new ATOM 1372 N HIS A 98 3.780 9.695 6.042 1.00 0.00 N ATOM 1373 CA HIS A 98 2.996 8.897 5.107 1.00 0.00 C ATOM 1374 C HIS A 98 1.814 9.697 4.568 1.00 0.00 C ATOM 1375 O HIS A 98 1.336 10.629 5.216 1.00 0.00 O ATOM 1376 CB HIS A 98 2.496 7.622 5.787 1.00 0.00 C ATOM 1377 CG HIS A 98 1.673 7.879 7.011 1.00 0.00 C ATOM 1378 ND1 HIS A 98 0.362 8.303 6.961 1.00 0.00 N ATOM 1379 CD2 HIS A 98 1.981 7.769 8.325 1.00 0.00 C ATOM 1380 CE1 HIS A 98 -0.100 8.444 8.191 1.00 0.00 C ATOM 1381 NE2 HIS A 98 0.863 8.125 9.037 1.00 0.00 N ATOM 0 H HIS A 98 3.731 9.379 7.010 1.00 0.00 H new ATOM 0 HA HIS A 98 3.640 8.625 4.270 1.00 0.00 H new ATOM 0 HB2 HIS A 98 1.903 7.049 5.074 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.353 7.005 6.058 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -0.168 8.480 6.108 1.00 0.00 H new ATOM 0 HD2 HIS A 98 2.930 7.459 8.736 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -1.096 8.765 8.459 1.00 0.00 H new ATOM 1389 N ILE A 99 1.348 9.328 3.380 1.00 0.00 N ATOM 1390 CA ILE A 99 0.222 10.011 2.755 1.00 0.00 C ATOM 1391 C ILE A 99 -1.099 9.583 3.385 1.00 0.00 C ATOM 1392 O ILE A 99 -1.154 8.609 4.136 1.00 0.00 O ATOM 1393 CB ILE A 99 0.169 9.738 1.240 1.00 0.00 C ATOM 1394 CG1 ILE A 99 -0.176 8.271 0.976 1.00 0.00 C ATOM 1395 CG2 ILE A 99 1.495 10.102 0.589 1.00 0.00 C ATOM 1396 CD1 ILE A 99 -0.797 8.032 -0.382 1.00 0.00 C ATOM 0 H ILE A 99 1.733 8.560 2.831 1.00 0.00 H new ATOM 0 HA ILE A 99 0.370 11.079 2.918 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.611 10.360 0.801 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.730 7.672 1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -0.863 7.923 1.747 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.441 9.903 -0.481 1.00 0.00 H new ATOM 0 HG22 ILE A 99 1.702 11.160 0.752 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.293 9.504 1.029 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.015 6.971 -0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.721 8.604 -0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.103 8.349 -1.160 1.00 0.00 H new ATOM 1408 N VAL A 100 -2.163 10.316 3.071 1.00 0.00 N ATOM 1409 CA VAL A 100 -3.485 10.010 3.603 1.00 0.00 C ATOM 1410 C VAL A 100 -3.914 8.595 3.232 1.00 0.00 C ATOM 1411 O VAL A 100 -3.733 8.158 2.097 1.00 0.00 O ATOM 1412 CB VAL A 100 -4.541 11.006 3.089 1.00 0.00 C ATOM 1413 CG1 VAL A 100 -5.944 10.492 3.373 1.00 0.00 C ATOM 1414 CG2 VAL A 100 -4.330 12.377 3.714 1.00 0.00 C ATOM 0 H VAL A 100 -2.135 11.125 2.451 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.416 10.092 4.688 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.427 11.103 2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.676 11.209 3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.089 9.534 2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -6.074 10.363 4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.085 13.068 3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.415 12.300 4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -3.338 12.747 3.453 1.00 0.00 H new ATOM 1424 N GLY A 101 -4.483 7.882 4.200 1.00 0.00 N ATOM 1425 CA GLY A 101 -4.929 6.523 3.955 1.00 0.00 C ATOM 1426 C GLY A 101 -3.919 5.490 4.413 1.00 0.00 C ATOM 1427 O GLY A 101 -4.255 4.572 5.162 1.00 0.00 O ATOM 0 H GLY A 101 -4.643 8.221 5.149 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.875 6.356 4.471 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.120 6.393 2.890 1.00 0.00 H new ATOM 1431 N SER A 102 -2.677 5.637 3.961 1.00 0.00 N ATOM 1432 CA SER A 102 -1.616 4.706 4.325 1.00 0.00 C ATOM 1433 C SER A 102 -1.215 4.883 5.786 1.00 0.00 C ATOM 1434 O SER A 102 -1.333 5.965 6.362 1.00 0.00 O ATOM 1435 CB SER A 102 -0.398 4.910 3.422 1.00 0.00 C ATOM 1436 OG SER A 102 0.159 6.200 3.601 1.00 0.00 O ATOM 0 H SER A 102 -2.382 6.392 3.342 1.00 0.00 H new ATOM 0 HA SER A 102 -1.994 3.693 4.190 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.354 4.152 3.643 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.688 4.777 2.380 1.00 0.00 H new ATOM 0 HG SER A 102 -0.555 6.839 3.805 1.00 0.00 H new ATOM 1442 N PRO A 103 -0.730 3.795 6.402 1.00 0.00 N ATOM 1443 CA PRO A 103 -0.585 2.501 5.726 1.00 0.00 C ATOM 1444 C PRO A 103 -1.932 1.851 5.426 1.00 0.00 C ATOM 1445 O PRO A 103 -2.878 1.970 6.205 1.00 0.00 O ATOM 1446 CB PRO A 103 0.201 1.660 6.735 1.00 0.00 C ATOM 1447 CG PRO A 103 -0.105 2.271 8.059 1.00 0.00 C ATOM 1448 CD PRO A 103 -0.284 3.742 7.804 1.00 0.00 C ATOM 0 HA PRO A 103 -0.094 2.599 4.758 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -0.105 0.614 6.702 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.270 1.687 6.525 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.007 1.837 8.490 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.704 2.093 8.767 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -1.022 4.179 8.477 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.646 4.291 7.951 1.00 0.00 H new ATOM 1456 N PHE A 104 -2.011 1.163 4.292 1.00 0.00 N ATOM 1457 CA PHE A 104 -3.242 0.494 3.888 1.00 0.00 C ATOM 1458 C PHE A 104 -3.246 -0.961 4.348 1.00 0.00 C ATOM 1459 O PHE A 104 -2.216 -1.635 4.326 1.00 0.00 O ATOM 1460 CB PHE A 104 -3.410 0.561 2.369 1.00 0.00 C ATOM 1461 CG PHE A 104 -3.530 1.962 1.840 1.00 0.00 C ATOM 1462 CD1 PHE A 104 -4.642 2.734 2.136 1.00 0.00 C ATOM 1463 CD2 PHE A 104 -2.532 2.506 1.049 1.00 0.00 C ATOM 1464 CE1 PHE A 104 -4.755 4.023 1.650 1.00 0.00 C ATOM 1465 CE2 PHE A 104 -2.640 3.794 0.560 1.00 0.00 C ATOM 1466 CZ PHE A 104 -3.753 4.554 0.862 1.00 0.00 C ATOM 0 H PHE A 104 -1.237 1.054 3.636 1.00 0.00 H new ATOM 0 HA PHE A 104 -4.078 1.009 4.361 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.557 0.074 1.895 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.298 -0.004 2.084 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.428 2.324 2.753 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.659 1.917 0.811 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.627 4.615 1.887 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.855 4.206 -0.057 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.839 5.561 0.483 1.00 0.00 H new ATOM 1476 N LYS A 105 -4.413 -1.440 4.765 1.00 0.00 N ATOM 1477 CA LYS A 105 -4.555 -2.815 5.230 1.00 0.00 C ATOM 1478 C LYS A 105 -5.478 -3.608 4.311 1.00 0.00 C ATOM 1479 O LYS A 105 -6.701 -3.538 4.433 1.00 0.00 O ATOM 1480 CB LYS A 105 -5.099 -2.838 6.660 1.00 0.00 C ATOM 1481 CG LYS A 105 -4.046 -2.547 7.716 1.00 0.00 C ATOM 1482 CD LYS A 105 -4.666 -2.401 9.096 1.00 0.00 C ATOM 1483 CE LYS A 105 -4.934 -3.756 9.732 1.00 0.00 C ATOM 1484 NZ LYS A 105 -5.397 -3.625 11.142 1.00 0.00 N ATOM 0 H LYS A 105 -5.275 -0.896 4.791 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.569 -3.280 5.215 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.901 -2.105 6.747 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.539 -3.816 6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -3.311 -3.352 7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.513 -1.632 7.457 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -4.000 -1.823 9.736 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.599 -1.843 9.020 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.687 -4.288 9.150 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -4.025 -4.357 9.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -5.569 -4.570 11.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -4.668 -3.140 11.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.278 -3.073 11.168 1.00 0.00 H new ATOM 1498 N ALA A 106 -4.885 -4.363 3.392 1.00 0.00 N ATOM 1499 CA ALA A 106 -5.654 -5.172 2.455 1.00 0.00 C ATOM 1500 C ALA A 106 -5.648 -6.641 2.863 1.00 0.00 C ATOM 1501 O ALA A 106 -4.589 -7.234 3.071 1.00 0.00 O ATOM 1502 CB ALA A 106 -5.106 -5.012 1.045 1.00 0.00 C ATOM 0 H ALA A 106 -3.874 -4.431 3.277 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.686 -4.821 2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -5.690 -5.622 0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.170 -3.966 0.746 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.065 -5.334 1.021 1.00 0.00 H new ATOM 1508 N LYS A 107 -6.836 -7.224 2.978 1.00 0.00 N ATOM 1509 CA LYS A 107 -6.968 -8.625 3.362 1.00 0.00 C ATOM 1510 C LYS A 107 -6.963 -9.528 2.133 1.00 0.00 C ATOM 1511 O LYS A 107 -7.860 -9.455 1.293 1.00 0.00 O ATOM 1512 CB LYS A 107 -8.257 -8.837 4.159 1.00 0.00 C ATOM 1513 CG LYS A 107 -8.395 -10.237 4.731 1.00 0.00 C ATOM 1514 CD LYS A 107 -9.639 -10.368 5.593 1.00 0.00 C ATOM 1515 CE LYS A 107 -10.858 -10.735 4.760 1.00 0.00 C ATOM 1516 NZ LYS A 107 -11.880 -11.463 5.562 1.00 0.00 N ATOM 0 H LYS A 107 -7.722 -6.748 2.811 1.00 0.00 H new ATOM 0 HA LYS A 107 -6.114 -8.887 3.987 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -8.293 -8.115 4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -9.111 -8.631 3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.438 -10.961 3.917 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.513 -10.477 5.325 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.476 -11.129 6.356 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.823 -9.428 6.114 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.300 -9.829 4.345 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.549 -11.354 3.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.694 -11.695 4.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.466 -12.340 5.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -12.194 -10.863 6.351 1.00 0.00 H new ATOM 1530 N VAL A 108 -5.948 -10.381 2.035 1.00 0.00 N ATOM 1531 CA VAL A 108 -5.828 -11.301 0.910 1.00 0.00 C ATOM 1532 C VAL A 108 -6.498 -12.635 1.218 1.00 0.00 C ATOM 1533 O VAL A 108 -6.202 -13.273 2.229 1.00 0.00 O ATOM 1534 CB VAL A 108 -4.353 -11.551 0.545 1.00 0.00 C ATOM 1535 CG1 VAL A 108 -4.240 -12.114 -0.864 1.00 0.00 C ATOM 1536 CG2 VAL A 108 -3.546 -10.269 0.681 1.00 0.00 C ATOM 0 H VAL A 108 -5.197 -10.454 2.721 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.330 -10.833 0.063 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.945 -12.286 1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.191 -12.284 -1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.784 -13.057 -0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.665 -11.405 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.506 -10.464 0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.952 -9.511 0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.600 -9.912 1.710 1.00 0.00 H new ATOM 1546 N THR A 109 -7.403 -13.054 0.338 1.00 0.00 N ATOM 1547 CA THR A 109 -8.116 -14.313 0.515 1.00 0.00 C ATOM 1548 C THR A 109 -8.105 -15.135 -0.768 1.00 0.00 C ATOM 1549 O THR A 109 -8.086 -14.587 -1.869 1.00 0.00 O ATOM 1550 CB THR A 109 -9.575 -14.076 0.948 1.00 0.00 C ATOM 1551 OG1 THR A 109 -10.207 -13.152 0.055 1.00 0.00 O ATOM 1552 CG2 THR A 109 -9.637 -13.537 2.369 1.00 0.00 C ATOM 0 H THR A 109 -7.659 -12.539 -0.505 1.00 0.00 H new ATOM 0 HA THR A 109 -7.597 -14.863 1.300 1.00 0.00 H new ATOM 0 HB THR A 109 -10.100 -15.031 0.915 1.00 0.00 H new ATOM 0 HG1 THR A 109 -11.135 -13.008 0.336 1.00 0.00 H new ATOM 0 HG21 THR A 109 -10.677 -13.377 2.653 1.00 0.00 H new ATOM 0 HG22 THR A 109 -9.181 -14.255 3.051 1.00 0.00 H new ATOM 0 HG23 THR A 109 -9.097 -12.592 2.423 1.00 0.00 H new ATOM 1560 N GLY A 110 -8.120 -16.457 -0.619 1.00 0.00 N ATOM 1561 CA GLY A 110 -8.112 -17.334 -1.775 1.00 0.00 C ATOM 1562 C GLY A 110 -7.446 -18.665 -1.488 1.00 0.00 C ATOM 1563 O GLY A 110 -6.740 -18.810 -0.491 1.00 0.00 O ATOM 0 H GLY A 110 -8.138 -16.935 0.282 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -9.137 -17.507 -2.103 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -7.593 -16.841 -2.597 1.00 0.00 H new ATOM 1567 N GLN A 111 -7.673 -19.639 -2.364 1.00 0.00 N ATOM 1568 CA GLN A 111 -7.091 -20.966 -2.198 1.00 0.00 C ATOM 1569 C GLN A 111 -5.568 -20.904 -2.264 1.00 0.00 C ATOM 1570 O GLN A 111 -5.000 -20.367 -3.214 1.00 0.00 O ATOM 1571 CB GLN A 111 -7.622 -21.917 -3.272 1.00 0.00 C ATOM 1572 CG GLN A 111 -8.917 -22.611 -2.883 1.00 0.00 C ATOM 1573 CD GLN A 111 -9.560 -23.340 -4.046 1.00 0.00 C ATOM 1574 OE1 GLN A 111 -9.074 -24.382 -4.486 1.00 0.00 O ATOM 1575 NE2 GLN A 111 -10.660 -22.794 -4.552 1.00 0.00 N ATOM 0 H GLN A 111 -8.255 -19.534 -3.195 1.00 0.00 H new ATOM 0 HA GLN A 111 -7.379 -21.342 -1.216 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -7.782 -21.358 -4.194 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -6.865 -22.672 -3.484 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -8.718 -23.320 -2.080 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -9.616 -21.873 -2.490 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -11.028 -21.929 -4.156 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -11.136 -23.240 -5.336 1.00 0.00 H new ATOM 1584 N ARG A 112 -4.914 -21.457 -1.247 1.00 0.00 N ATOM 1585 CA ARG A 112 -3.457 -21.463 -1.189 1.00 0.00 C ATOM 1586 C ARG A 112 -2.865 -22.043 -2.471 1.00 0.00 C ATOM 1587 O ARG A 112 -2.803 -23.261 -2.644 1.00 0.00 O ATOM 1588 CB ARG A 112 -2.977 -22.271 0.018 1.00 0.00 C ATOM 1589 CG ARG A 112 -3.438 -21.705 1.351 1.00 0.00 C ATOM 1590 CD ARG A 112 -2.959 -22.560 2.514 1.00 0.00 C ATOM 1591 NE ARG A 112 -3.699 -22.278 3.742 1.00 0.00 N ATOM 1592 CZ ARG A 112 -3.777 -23.124 4.763 1.00 0.00 C ATOM 1593 NH1 ARG A 112 -3.164 -24.298 4.704 1.00 0.00 N ATOM 1594 NH2 ARG A 112 -4.470 -22.796 5.846 1.00 0.00 N ATOM 0 H ARG A 112 -5.370 -21.906 -0.453 1.00 0.00 H new ATOM 0 HA ARG A 112 -3.118 -20.432 -1.086 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -3.336 -23.296 -0.076 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -1.888 -22.312 0.007 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -3.062 -20.689 1.466 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -4.526 -21.645 1.366 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -3.069 -23.614 2.258 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.897 -22.382 2.682 1.00 0.00 H new ATOM 0 HE ARG A 112 -4.182 -21.383 3.819 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.631 -24.554 3.873 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -3.226 -24.946 5.490 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -4.943 -21.894 5.895 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -4.530 -23.446 6.630 1.00 0.00 H new ATOM 1608 N LEU A 113 -2.431 -21.163 -3.366 1.00 0.00 N ATOM 1609 CA LEU A 113 -1.843 -21.586 -4.632 1.00 0.00 C ATOM 1610 C LEU A 113 -0.616 -22.461 -4.398 1.00 0.00 C ATOM 1611 O LEU A 113 0.185 -22.198 -3.501 1.00 0.00 O ATOM 1612 CB LEU A 113 -1.461 -20.366 -5.473 1.00 0.00 C ATOM 1613 CG LEU A 113 -2.618 -19.481 -5.936 1.00 0.00 C ATOM 1614 CD1 LEU A 113 -2.092 -18.220 -6.603 1.00 0.00 C ATOM 1615 CD2 LEU A 113 -3.529 -20.247 -6.884 1.00 0.00 C ATOM 0 H LEU A 113 -2.475 -20.152 -3.239 1.00 0.00 H new ATOM 0 HA LEU A 113 -2.587 -22.173 -5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.770 -19.753 -4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -0.920 -20.712 -6.354 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.199 -19.189 -5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.930 -17.603 -6.926 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.481 -17.661 -5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.487 -18.491 -7.468 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.347 -19.601 -7.203 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.959 -20.569 -7.756 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.934 -21.120 -6.373 1.00 0.00 H new