USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=25 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 Single : A 20 ASN : amide:sc= -6.68! C(o=-6.7!,f=-23!) 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 35 THR OG1 : rot 170:sc= 0.0161 USER MOD Single : A 36 THR OG1 : rot 127:sc= 0.221 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 160:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.678 X(o=-0.68,f=-0.44) USER MOD Single : A 46 THR OG1 : rot -61:sc= 0.453 USER MOD Single : A 47 THR OG1 : rot 180:sc=0.000982 USER MOD Single : A 53 THR OG1 : rot 36:sc= 0.945 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 15:sc= -1.57! 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 -149:sc= -0.827 (180deg=-2.73!) USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -150:sc= -0.507 (180deg=-1.47) USER MOD Single : A 79 TYR OH : rot -93:sc= 0.00448 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.734 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 87 TYR OH : rot 28:sc= 1.04 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 154:sc= 0.108 USER MOD Single : A 97 ASN : amide:sc= 0.327 K(o=0.33,f=-0.81) USER MOD Single : A 98 HIS : no HD1:sc= -0.809 K(o=-0.81,f=-2.3!) USER MOD Single : A 102 SER OG : rot -160:sc= -0.935 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 166:sc=-0.00172 (180deg=-0.116) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.0576 K(o=-0.058,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 241 N ASN A 20 3.630 18.237 -0.767 1.00 0.00 N ATOM 242 CA ASN A 20 2.870 17.723 0.366 1.00 0.00 C ATOM 243 C ASN A 20 2.426 16.284 0.115 1.00 0.00 C ATOM 244 O ASN A 20 1.834 15.961 -0.915 1.00 0.00 O ATOM 245 CB ASN A 20 1.648 18.606 0.630 1.00 0.00 C ATOM 246 CG ASN A 20 0.604 17.909 1.479 1.00 0.00 C ATOM 247 OD1 ASN A 20 0.905 16.950 2.191 1.00 0.00 O ATOM 248 ND2 ASN A 20 -0.633 18.388 1.408 1.00 0.00 N ATOM 0 HA ASN A 20 3.517 17.738 1.243 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.966 19.522 1.129 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.203 18.899 -0.321 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.378 17.959 1.957 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.838 19.185 0.805 1.00 0.00 H new ATOM 255 N PRO A 21 2.719 15.399 1.079 1.00 0.00 N ATOM 256 CA PRO A 21 2.359 13.981 0.987 1.00 0.00 C ATOM 257 C PRO A 21 0.855 13.756 1.101 1.00 0.00 C ATOM 258 O PRO A 21 0.292 12.902 0.416 1.00 0.00 O ATOM 259 CB PRO A 21 3.085 13.352 2.179 1.00 0.00 C ATOM 260 CG PRO A 21 3.246 14.466 3.155 1.00 0.00 C ATOM 261 CD PRO A 21 3.423 15.714 2.334 1.00 0.00 C ATOM 0 HA PRO A 21 2.639 13.552 0.025 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.508 12.532 2.606 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.051 12.942 1.883 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.373 14.546 3.803 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.108 14.298 3.800 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.993 16.585 2.829 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.476 15.934 2.160 1.00 0.00 H new ATOM 269 N ALA A 22 0.210 14.528 1.969 1.00 0.00 N ATOM 270 CA ALA A 22 -1.229 14.414 2.170 1.00 0.00 C ATOM 271 C ALA A 22 -1.976 14.479 0.843 1.00 0.00 C ATOM 272 O ALA A 22 -2.931 13.735 0.618 1.00 0.00 O ATOM 273 CB ALA A 22 -1.719 15.508 3.108 1.00 0.00 C ATOM 0 H ALA A 22 0.661 15.239 2.544 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.432 13.444 2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.795 15.411 3.249 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.217 15.414 4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.496 16.484 2.677 1.00 0.00 H new ATOM 279 N LEU A 23 -1.536 15.375 -0.035 1.00 0.00 N ATOM 280 CA LEU A 23 -2.164 15.538 -1.342 1.00 0.00 C ATOM 281 C LEU A 23 -2.163 14.222 -2.114 1.00 0.00 C ATOM 282 O LEU A 23 -3.176 13.829 -2.692 1.00 0.00 O ATOM 283 CB LEU A 23 -1.437 16.616 -2.147 1.00 0.00 C ATOM 284 CG LEU A 23 -1.734 18.063 -1.753 1.00 0.00 C ATOM 285 CD1 LEU A 23 -0.668 18.997 -2.305 1.00 0.00 C ATOM 286 CD2 LEU A 23 -3.114 18.477 -2.243 1.00 0.00 C ATOM 0 H LEU A 23 -0.747 15.999 0.135 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.198 15.845 -1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.364 16.448 -2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.690 16.488 -3.199 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.721 18.133 -0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.897 20.022 -2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.306 18.715 -1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.648 18.924 -3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.308 19.510 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.156 18.391 -3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.868 17.828 -1.798 1.00 0.00 H new ATOM 298 N VAL A 24 -1.019 13.545 -2.118 1.00 0.00 N ATOM 299 CA VAL A 24 -0.887 12.272 -2.816 1.00 0.00 C ATOM 300 C VAL A 24 -1.929 11.270 -2.334 1.00 0.00 C ATOM 301 O VAL A 24 -2.087 11.053 -1.133 1.00 0.00 O ATOM 302 CB VAL A 24 0.517 11.669 -2.623 1.00 0.00 C ATOM 303 CG1 VAL A 24 0.633 10.340 -3.353 1.00 0.00 C ATOM 304 CG2 VAL A 24 1.585 12.643 -3.099 1.00 0.00 C ATOM 0 H VAL A 24 -0.171 13.857 -1.646 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.045 12.474 -3.875 1.00 0.00 H new ATOM 0 HB VAL A 24 0.672 11.486 -1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.632 9.930 -3.205 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.108 9.643 -2.960 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.458 10.493 -4.418 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.571 12.201 -2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.435 12.859 -4.157 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.515 13.568 -2.526 1.00 0.00 H new ATOM 314 N SER A 25 -2.638 10.661 -3.279 1.00 0.00 N ATOM 315 CA SER A 25 -3.669 9.683 -2.951 1.00 0.00 C ATOM 316 C SER A 25 -3.409 8.359 -3.664 1.00 0.00 C ATOM 317 O SER A 25 -2.543 8.270 -4.534 1.00 0.00 O ATOM 318 CB SER A 25 -5.050 10.219 -3.334 1.00 0.00 C ATOM 319 OG SER A 25 -6.068 9.599 -2.566 1.00 0.00 O ATOM 0 H SER A 25 -2.517 10.828 -4.278 1.00 0.00 H new ATOM 0 HA SER A 25 -3.640 9.508 -1.876 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.080 11.298 -3.181 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.231 10.042 -4.394 1.00 0.00 H new ATOM 0 HG SER A 25 -6.941 9.959 -2.828 1.00 0.00 H new ATOM 325 N ALA A 26 -4.165 7.333 -3.287 1.00 0.00 N ATOM 326 CA ALA A 26 -4.018 6.015 -3.891 1.00 0.00 C ATOM 327 C ALA A 26 -5.378 5.375 -4.150 1.00 0.00 C ATOM 328 O ALA A 26 -6.283 5.460 -3.319 1.00 0.00 O ATOM 329 CB ALA A 26 -3.172 5.118 -3.000 1.00 0.00 C ATOM 0 H ALA A 26 -4.885 7.389 -2.567 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.514 6.136 -4.850 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.070 4.137 -3.463 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.185 5.562 -2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.654 5.012 -2.028 1.00 0.00 H new ATOM 335 N TYR A 27 -5.516 4.736 -5.306 1.00 0.00 N ATOM 336 CA TYR A 27 -6.767 4.085 -5.675 1.00 0.00 C ATOM 337 C TYR A 27 -6.549 3.088 -6.809 1.00 0.00 C ATOM 338 O TYR A 27 -5.619 3.227 -7.603 1.00 0.00 O ATOM 339 CB TYR A 27 -7.806 5.128 -6.091 1.00 0.00 C ATOM 340 CG TYR A 27 -7.357 6.007 -7.237 1.00 0.00 C ATOM 341 CD1 TYR A 27 -7.259 5.503 -8.528 1.00 0.00 C ATOM 342 CD2 TYR A 27 -7.031 7.341 -7.028 1.00 0.00 C ATOM 343 CE1 TYR A 27 -6.848 6.302 -9.578 1.00 0.00 C ATOM 344 CE2 TYR A 27 -6.620 8.148 -8.072 1.00 0.00 C ATOM 345 CZ TYR A 27 -6.530 7.623 -9.345 1.00 0.00 C ATOM 346 OH TYR A 27 -6.122 8.423 -10.388 1.00 0.00 O ATOM 0 H TYR A 27 -4.777 4.655 -6.004 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.135 3.542 -4.804 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.727 4.618 -6.374 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.041 5.757 -5.232 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.508 4.469 -8.714 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.100 7.755 -6.033 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.776 5.894 -10.575 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.371 9.183 -7.893 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.938 9.326 -10.055 1.00 0.00 H new ATOM 356 N GLY A 28 -7.414 2.082 -6.879 1.00 0.00 N ATOM 357 CA GLY A 28 -7.301 1.076 -7.919 1.00 0.00 C ATOM 358 C GLY A 28 -8.069 -0.188 -7.590 1.00 0.00 C ATOM 359 O GLY A 28 -8.916 -0.194 -6.695 1.00 0.00 O ATOM 0 H GLY A 28 -8.192 1.945 -6.234 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.670 1.487 -8.859 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.250 0.830 -8.069 1.00 0.00 H new ATOM 363 N THR A 29 -7.777 -1.263 -8.315 1.00 0.00 N ATOM 364 CA THR A 29 -8.449 -2.538 -8.098 1.00 0.00 C ATOM 365 C THR A 29 -7.697 -3.389 -7.080 1.00 0.00 C ATOM 366 O THR A 29 -8.302 -4.145 -6.322 1.00 0.00 O ATOM 367 CB THR A 29 -8.587 -3.331 -9.411 1.00 0.00 C ATOM 368 OG1 THR A 29 -9.185 -2.509 -10.419 1.00 0.00 O ATOM 369 CG2 THR A 29 -9.431 -4.580 -9.202 1.00 0.00 C ATOM 0 H THR A 29 -7.079 -1.276 -9.058 1.00 0.00 H new ATOM 0 HA THR A 29 -9.443 -2.310 -7.714 1.00 0.00 H new ATOM 0 HB THR A 29 -7.591 -3.634 -9.733 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.268 -3.020 -11.251 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.515 -5.124 -10.143 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.958 -5.218 -8.455 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.425 -4.294 -8.859 1.00 0.00 H new ATOM 377 N GLY A 30 -6.374 -3.259 -7.069 1.00 0.00 N ATOM 378 CA GLY A 30 -5.562 -4.022 -6.139 1.00 0.00 C ATOM 379 C GLY A 30 -5.911 -3.734 -4.692 1.00 0.00 C ATOM 380 O GLY A 30 -5.931 -4.640 -3.858 1.00 0.00 O ATOM 0 H GLY A 30 -5.850 -2.639 -7.687 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.693 -5.086 -6.336 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.510 -3.793 -6.308 1.00 0.00 H new ATOM 384 N LEU A 31 -6.186 -2.469 -4.393 1.00 0.00 N ATOM 385 CA LEU A 31 -6.535 -2.063 -3.035 1.00 0.00 C ATOM 386 C LEU A 31 -7.852 -2.696 -2.599 1.00 0.00 C ATOM 387 O LEU A 31 -8.013 -3.080 -1.441 1.00 0.00 O ATOM 388 CB LEU A 31 -6.634 -0.539 -2.948 1.00 0.00 C ATOM 389 CG LEU A 31 -5.365 0.238 -3.299 1.00 0.00 C ATOM 390 CD1 LEU A 31 -5.699 1.684 -3.630 1.00 0.00 C ATOM 391 CD2 LEU A 31 -4.363 0.168 -2.156 1.00 0.00 C ATOM 0 H LEU A 31 -6.174 -1.707 -5.071 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.748 -2.409 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.433 -0.209 -3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.931 -0.272 -1.934 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.914 -0.220 -4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.784 2.221 -3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.379 1.715 -4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.174 2.154 -2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.466 0.727 -2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.805 0.600 -1.258 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.099 -0.873 -1.966 1.00 0.00 H new ATOM 403 N GLU A 32 -8.790 -2.804 -3.535 1.00 0.00 N ATOM 404 CA GLU A 32 -10.092 -3.392 -3.246 1.00 0.00 C ATOM 405 C GLU A 32 -9.954 -4.583 -2.303 1.00 0.00 C ATOM 406 O GLU A 32 -10.800 -4.805 -1.437 1.00 0.00 O ATOM 407 CB GLU A 32 -10.777 -3.830 -4.542 1.00 0.00 C ATOM 408 CG GLU A 32 -11.175 -2.673 -5.442 1.00 0.00 C ATOM 409 CD GLU A 32 -12.419 -1.955 -4.954 1.00 0.00 C ATOM 410 OE1 GLU A 32 -12.579 -1.813 -3.724 1.00 0.00 O ATOM 411 OE2 GLU A 32 -13.232 -1.535 -5.804 1.00 0.00 O ATOM 0 H GLU A 32 -8.672 -2.492 -4.499 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.704 -2.634 -2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.107 -4.492 -5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.667 -4.409 -4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.350 -1.963 -5.501 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.348 -3.046 -6.452 1.00 0.00 H new ATOM 418 N GLY A 33 -8.880 -5.348 -2.478 1.00 0.00 N ATOM 419 CA GLY A 33 -8.650 -6.508 -1.636 1.00 0.00 C ATOM 420 C GLY A 33 -7.376 -7.244 -1.999 1.00 0.00 C ATOM 421 O GLY A 33 -6.536 -6.721 -2.731 1.00 0.00 O ATOM 0 H GLY A 33 -8.166 -5.185 -3.188 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.599 -6.192 -0.594 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.497 -7.189 -1.722 1.00 0.00 H new ATOM 425 N GLY A 34 -7.229 -8.460 -1.483 1.00 0.00 N ATOM 426 CA GLY A 34 -6.044 -9.249 -1.767 1.00 0.00 C ATOM 427 C GLY A 34 -6.338 -10.434 -2.664 1.00 0.00 C ATOM 428 O GLY A 34 -6.940 -11.417 -2.232 1.00 0.00 O ATOM 0 H GLY A 34 -7.909 -8.913 -0.873 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.295 -8.615 -2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.615 -9.604 -0.830 1.00 0.00 H new ATOM 432 N THR A 35 -5.912 -10.343 -3.921 1.00 0.00 N ATOM 433 CA THR A 35 -6.134 -11.415 -4.883 1.00 0.00 C ATOM 434 C THR A 35 -4.885 -12.271 -5.051 1.00 0.00 C ATOM 435 O THR A 35 -3.872 -11.814 -5.583 1.00 0.00 O ATOM 436 CB THR A 35 -6.551 -10.859 -6.257 1.00 0.00 C ATOM 437 OG1 THR A 35 -5.878 -9.620 -6.509 1.00 0.00 O ATOM 438 CG2 THR A 35 -8.056 -10.647 -6.322 1.00 0.00 C ATOM 0 H THR A 35 -5.411 -9.537 -4.296 1.00 0.00 H new ATOM 0 HA THR A 35 -6.942 -12.031 -4.488 1.00 0.00 H new ATOM 0 HB THR A 35 -6.270 -11.586 -7.019 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.020 -9.354 -7.442 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.326 -10.254 -7.302 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.565 -11.597 -6.160 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.357 -9.938 -5.551 1.00 0.00 H new ATOM 446 N THR A 36 -4.961 -13.518 -4.595 1.00 0.00 N ATOM 447 CA THR A 36 -3.835 -14.438 -4.695 1.00 0.00 C ATOM 448 C THR A 36 -3.781 -15.093 -6.070 1.00 0.00 C ATOM 449 O THR A 36 -4.660 -15.874 -6.432 1.00 0.00 O ATOM 450 CB THR A 36 -3.911 -15.537 -3.618 1.00 0.00 C ATOM 451 OG1 THR A 36 -4.407 -14.988 -2.392 1.00 0.00 O ATOM 452 CG2 THR A 36 -2.543 -16.160 -3.384 1.00 0.00 C ATOM 0 H THR A 36 -5.791 -13.913 -4.153 1.00 0.00 H new ATOM 0 HA THR A 36 -2.931 -13.849 -4.540 1.00 0.00 H new ATOM 0 HB THR A 36 -4.591 -16.313 -3.969 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.167 -15.521 -2.079 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.621 -16.933 -2.620 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.181 -16.603 -4.312 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.845 -15.391 -3.052 1.00 0.00 H new ATOM 460 N GLY A 37 -2.742 -14.770 -6.834 1.00 0.00 N ATOM 461 CA GLY A 37 -2.592 -15.337 -8.161 1.00 0.00 C ATOM 462 C GLY A 37 -2.807 -14.312 -9.257 1.00 0.00 C ATOM 463 O GLY A 37 -2.144 -14.354 -10.294 1.00 0.00 O ATOM 0 H GLY A 37 -2.001 -14.126 -6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.595 -15.765 -8.259 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.303 -16.153 -8.287 1.00 0.00 H new ATOM 467 N ILE A 38 -3.736 -13.390 -9.029 1.00 0.00 N ATOM 468 CA ILE A 38 -4.037 -12.351 -10.005 1.00 0.00 C ATOM 469 C ILE A 38 -3.102 -11.157 -9.843 1.00 0.00 C ATOM 470 O ILE A 38 -2.647 -10.859 -8.739 1.00 0.00 O ATOM 471 CB ILE A 38 -5.494 -11.868 -9.883 1.00 0.00 C ATOM 472 CG1 ILE A 38 -6.442 -13.063 -9.766 1.00 0.00 C ATOM 473 CG2 ILE A 38 -5.868 -11.003 -11.078 1.00 0.00 C ATOM 474 CD1 ILE A 38 -7.902 -12.671 -9.694 1.00 0.00 C ATOM 0 H ILE A 38 -4.293 -13.342 -8.176 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.891 -12.793 -10.991 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.587 -11.265 -8.980 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.292 -13.720 -10.622 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.184 -13.636 -8.875 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.901 -10.670 -10.977 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.209 -10.136 -11.120 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.762 -11.583 -11.995 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.516 -13.568 -9.612 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.066 -12.038 -8.822 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.177 -12.124 -10.596 1.00 0.00 H new ATOM 486 N GLN A 39 -2.822 -10.477 -10.950 1.00 0.00 N ATOM 487 CA GLN A 39 -1.942 -9.315 -10.930 1.00 0.00 C ATOM 488 C GLN A 39 -2.749 -8.021 -10.937 1.00 0.00 C ATOM 489 O GLN A 39 -3.282 -7.616 -11.970 1.00 0.00 O ATOM 490 CB GLN A 39 -0.994 -9.345 -12.130 1.00 0.00 C ATOM 491 CG GLN A 39 -0.275 -8.028 -12.371 1.00 0.00 C ATOM 492 CD GLN A 39 0.764 -8.122 -13.470 1.00 0.00 C ATOM 493 OE1 GLN A 39 1.947 -8.340 -13.206 1.00 0.00 O ATOM 494 NE2 GLN A 39 0.327 -7.959 -14.714 1.00 0.00 N ATOM 0 H GLN A 39 -3.192 -10.711 -11.871 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.355 -9.351 -10.012 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.254 -10.131 -11.978 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.560 -9.609 -13.023 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.006 -7.262 -12.632 1.00 0.00 H new ATOM 0 HG3 GLN A 39 0.207 -7.707 -11.447 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.662 -7.780 -14.888 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.981 -8.013 -15.495 1.00 0.00 H new ATOM 503 N SER A 40 -2.835 -7.376 -9.778 1.00 0.00 N ATOM 504 CA SER A 40 -3.581 -6.129 -9.650 1.00 0.00 C ATOM 505 C SER A 40 -2.687 -4.929 -9.943 1.00 0.00 C ATOM 506 O SER A 40 -1.461 -5.038 -9.937 1.00 0.00 O ATOM 507 CB SER A 40 -4.173 -6.007 -8.245 1.00 0.00 C ATOM 508 OG SER A 40 -5.066 -7.074 -7.973 1.00 0.00 O ATOM 0 H SER A 40 -2.397 -7.696 -8.914 1.00 0.00 H new ATOM 0 HA SER A 40 -4.392 -6.143 -10.379 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.370 -6.004 -7.508 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.698 -5.056 -8.149 1.00 0.00 H new ATOM 0 HG SER A 40 -5.181 -7.166 -7.004 1.00 0.00 H new ATOM 514 N GLU A 41 -3.311 -3.783 -10.200 1.00 0.00 N ATOM 515 CA GLU A 41 -2.572 -2.562 -10.497 1.00 0.00 C ATOM 516 C GLU A 41 -3.326 -1.334 -9.995 1.00 0.00 C ATOM 517 O GLU A 41 -4.481 -1.110 -10.358 1.00 0.00 O ATOM 518 CB GLU A 41 -2.324 -2.442 -12.002 1.00 0.00 C ATOM 519 CG GLU A 41 -3.599 -2.401 -12.828 1.00 0.00 C ATOM 520 CD GLU A 41 -4.161 -1.000 -12.964 1.00 0.00 C ATOM 521 OE1 GLU A 41 -3.371 -0.035 -12.908 1.00 0.00 O ATOM 522 OE2 GLU A 41 -5.392 -0.869 -13.127 1.00 0.00 O ATOM 0 H GLU A 41 -4.325 -3.675 -10.208 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.613 -2.614 -9.982 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.747 -1.538 -12.196 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.716 -3.285 -12.330 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.398 -2.806 -13.820 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.347 -3.045 -12.367 1.00 0.00 H new ATOM 529 N PHE A 42 -2.665 -0.541 -9.158 1.00 0.00 N ATOM 530 CA PHE A 42 -3.272 0.663 -8.605 1.00 0.00 C ATOM 531 C PHE A 42 -2.428 1.894 -8.923 1.00 0.00 C ATOM 532 O PHE A 42 -1.205 1.874 -8.787 1.00 0.00 O ATOM 533 CB PHE A 42 -3.442 0.525 -7.090 1.00 0.00 C ATOM 534 CG PHE A 42 -2.195 0.846 -6.316 1.00 0.00 C ATOM 535 CD1 PHE A 42 -1.870 2.158 -6.014 1.00 0.00 C ATOM 536 CD2 PHE A 42 -1.349 -0.166 -5.891 1.00 0.00 C ATOM 537 CE1 PHE A 42 -0.723 2.456 -5.302 1.00 0.00 C ATOM 538 CE2 PHE A 42 -0.202 0.127 -5.178 1.00 0.00 C ATOM 539 CZ PHE A 42 0.112 1.439 -4.884 1.00 0.00 C ATOM 0 H PHE A 42 -1.708 -0.711 -8.848 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.253 0.788 -9.064 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.245 1.185 -6.761 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.752 -0.494 -6.858 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.520 2.957 -6.338 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.588 -1.194 -6.119 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.480 3.483 -5.073 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.449 -0.670 -4.851 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.009 1.669 -4.328 1.00 0.00 H new ATOM 549 N PHE A 43 -3.091 2.964 -9.349 1.00 0.00 N ATOM 550 CA PHE A 43 -2.403 4.204 -9.689 1.00 0.00 C ATOM 551 C PHE A 43 -2.332 5.136 -8.482 1.00 0.00 C ATOM 552 O PHE A 43 -3.187 5.087 -7.597 1.00 0.00 O ATOM 553 CB PHE A 43 -3.114 4.906 -10.848 1.00 0.00 C ATOM 554 CG PHE A 43 -2.974 4.188 -12.160 1.00 0.00 C ATOM 555 CD1 PHE A 43 -1.739 4.086 -12.781 1.00 0.00 C ATOM 556 CD2 PHE A 43 -4.077 3.615 -12.772 1.00 0.00 C ATOM 557 CE1 PHE A 43 -1.607 3.426 -13.988 1.00 0.00 C ATOM 558 CE2 PHE A 43 -3.950 2.953 -13.978 1.00 0.00 C ATOM 559 CZ PHE A 43 -2.714 2.859 -14.588 1.00 0.00 C ATOM 0 H PHE A 43 -4.104 2.997 -9.467 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.387 3.954 -9.993 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.173 5.005 -10.608 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.715 5.915 -10.951 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.870 4.527 -12.316 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.046 3.687 -12.301 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.639 3.354 -14.462 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.817 2.509 -14.444 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.614 2.343 -15.532 1.00 0.00 H new ATOM 569 N ILE A 44 -1.308 5.982 -8.454 1.00 0.00 N ATOM 570 CA ILE A 44 -1.126 6.924 -7.357 1.00 0.00 C ATOM 571 C ILE A 44 -1.352 8.359 -7.822 1.00 0.00 C ATOM 572 O ILE A 44 -0.624 8.868 -8.673 1.00 0.00 O ATOM 573 CB ILE A 44 0.283 6.810 -6.746 1.00 0.00 C ATOM 574 CG1 ILE A 44 0.492 5.418 -6.148 1.00 0.00 C ATOM 575 CG2 ILE A 44 0.489 7.884 -5.687 1.00 0.00 C ATOM 576 CD1 ILE A 44 1.933 4.960 -6.173 1.00 0.00 C ATOM 0 H ILE A 44 -0.592 6.034 -9.178 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.865 6.670 -6.597 1.00 0.00 H new ATOM 0 HB ILE A 44 1.019 6.960 -7.536 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.137 5.417 -5.118 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.118 4.700 -6.696 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.489 7.791 -5.264 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.377 8.869 -6.141 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.252 7.763 -4.897 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.006 3.965 -5.733 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.287 4.928 -7.203 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.546 5.656 -5.600 1.00 0.00 H new ATOM 588 N ASN A 45 -2.365 9.006 -7.256 1.00 0.00 N ATOM 589 CA ASN A 45 -2.686 10.383 -7.611 1.00 0.00 C ATOM 590 C ASN A 45 -1.563 11.328 -7.197 1.00 0.00 C ATOM 591 O ASN A 45 -1.578 11.886 -6.099 1.00 0.00 O ATOM 592 CB ASN A 45 -3.998 10.810 -6.948 1.00 0.00 C ATOM 593 CG ASN A 45 -4.153 12.318 -6.893 1.00 0.00 C ATOM 594 OD1 ASN A 45 -4.344 12.972 -7.918 1.00 0.00 O ATOM 595 ND2 ASN A 45 -4.072 12.877 -5.691 1.00 0.00 N ATOM 0 H ASN A 45 -2.978 8.599 -6.550 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.800 10.435 -8.694 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.836 10.381 -7.497 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.039 10.406 -5.937 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.169 13.887 -5.591 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.913 12.296 -4.868 1.00 0.00 H new ATOM 602 N THR A 46 -0.588 11.505 -8.084 1.00 0.00 N ATOM 603 CA THR A 46 0.544 12.382 -7.811 1.00 0.00 C ATOM 604 C THR A 46 0.712 13.422 -8.913 1.00 0.00 C ATOM 605 O THR A 46 1.827 13.696 -9.358 1.00 0.00 O ATOM 606 CB THR A 46 1.853 11.582 -7.671 1.00 0.00 C ATOM 607 OG1 THR A 46 2.904 12.440 -7.213 1.00 0.00 O ATOM 608 CG2 THR A 46 2.247 10.953 -8.998 1.00 0.00 C ATOM 0 H THR A 46 -0.560 11.052 -8.998 1.00 0.00 H new ATOM 0 HA THR A 46 0.333 12.887 -6.868 1.00 0.00 H new ATOM 0 HB THR A 46 1.691 10.786 -6.944 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.048 13.158 -7.865 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.174 10.393 -8.874 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.458 10.279 -9.330 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.392 11.736 -9.743 1.00 0.00 H new ATOM 616 N THR A 47 -0.402 13.999 -9.351 1.00 0.00 N ATOM 617 CA THR A 47 -0.378 15.009 -10.402 1.00 0.00 C ATOM 618 C THR A 47 -0.288 16.412 -9.814 1.00 0.00 C ATOM 619 O THR A 47 0.073 17.364 -10.506 1.00 0.00 O ATOM 620 CB THR A 47 -1.628 14.918 -11.297 1.00 0.00 C ATOM 621 OG1 THR A 47 -2.810 14.903 -10.488 1.00 0.00 O ATOM 622 CG2 THR A 47 -1.584 13.669 -12.163 1.00 0.00 C ATOM 0 H THR A 47 -1.333 13.784 -8.994 1.00 0.00 H new ATOM 0 HA THR A 47 0.507 14.815 -11.007 1.00 0.00 H new ATOM 0 HB THR A 47 -1.645 15.792 -11.949 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.600 14.847 -11.065 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.477 13.627 -12.786 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.699 13.698 -12.799 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.544 12.786 -11.526 1.00 0.00 H new ATOM 630 N ARG A 48 -0.620 16.535 -8.533 1.00 0.00 N ATOM 631 CA ARG A 48 -0.577 17.823 -7.852 1.00 0.00 C ATOM 632 C ARG A 48 0.609 17.893 -6.895 1.00 0.00 C ATOM 633 O ARG A 48 1.181 18.961 -6.676 1.00 0.00 O ATOM 634 CB ARG A 48 -1.879 18.062 -7.085 1.00 0.00 C ATOM 635 CG ARG A 48 -3.020 18.554 -7.961 1.00 0.00 C ATOM 636 CD ARG A 48 -4.149 19.140 -7.128 1.00 0.00 C ATOM 637 NE ARG A 48 -5.272 19.572 -7.956 1.00 0.00 N ATOM 638 CZ ARG A 48 -6.219 20.403 -7.534 1.00 0.00 C ATOM 639 NH1 ARG A 48 -6.178 20.889 -6.301 1.00 0.00 N ATOM 640 NH2 ARG A 48 -7.209 20.750 -8.346 1.00 0.00 N ATOM 0 H ARG A 48 -0.922 15.758 -7.946 1.00 0.00 H new ATOM 0 HA ARG A 48 -0.459 18.601 -8.607 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.180 17.134 -6.598 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.697 18.792 -6.296 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.649 19.309 -8.654 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.401 17.728 -8.562 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.493 18.396 -6.409 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.774 19.988 -6.554 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.333 19.216 -8.910 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.418 20.625 -5.674 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.906 21.527 -5.980 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.244 20.379 -9.295 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.935 21.388 -8.021 1.00 0.00 H new ATOM 654 N ALA A 49 0.974 16.748 -6.327 1.00 0.00 N ATOM 655 CA ALA A 49 2.092 16.679 -5.395 1.00 0.00 C ATOM 656 C ALA A 49 3.424 16.810 -6.126 1.00 0.00 C ATOM 657 O ALA A 49 4.234 17.681 -5.809 1.00 0.00 O ATOM 658 CB ALA A 49 2.045 15.377 -4.609 1.00 0.00 C ATOM 0 H ALA A 49 0.511 15.855 -6.497 1.00 0.00 H new ATOM 0 HA ALA A 49 2.005 17.514 -4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.886 15.339 -3.917 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.111 15.324 -4.049 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.104 14.534 -5.298 1.00 0.00 H new ATOM 664 N GLY A 50 3.645 15.938 -7.105 1.00 0.00 N ATOM 665 CA GLY A 50 4.882 15.974 -7.864 1.00 0.00 C ATOM 666 C GLY A 50 5.619 14.650 -7.833 1.00 0.00 C ATOM 667 O GLY A 50 5.309 13.760 -7.040 1.00 0.00 O ATOM 0 H GLY A 50 2.990 15.208 -7.386 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.663 16.240 -8.898 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.528 16.755 -7.464 1.00 0.00 H new ATOM 671 N PRO A 51 6.621 14.505 -8.713 1.00 0.00 N ATOM 672 CA PRO A 51 7.425 13.283 -8.803 1.00 0.00 C ATOM 673 C PRO A 51 8.332 13.094 -7.591 1.00 0.00 C ATOM 674 O PRO A 51 8.346 12.030 -6.974 1.00 0.00 O ATOM 675 CB PRO A 51 8.261 13.500 -10.067 1.00 0.00 C ATOM 676 CG PRO A 51 8.345 14.980 -10.215 1.00 0.00 C ATOM 677 CD PRO A 51 7.047 15.524 -9.687 1.00 0.00 C ATOM 0 HA PRO A 51 6.803 12.388 -8.835 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.251 13.055 -9.968 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.791 13.041 -10.937 1.00 0.00 H new ATOM 0 HG2 PRO A 51 9.191 15.380 -9.657 1.00 0.00 H new ATOM 0 HG3 PRO A 51 8.490 15.260 -11.258 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.181 16.498 -9.217 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.312 15.652 -10.482 1.00 0.00 H new ATOM 685 N GLY A 52 9.088 14.135 -7.255 1.00 0.00 N ATOM 686 CA GLY A 52 9.986 14.063 -6.118 1.00 0.00 C ATOM 687 C GLY A 52 10.599 12.687 -5.949 1.00 0.00 C ATOM 688 O GLY A 52 11.274 12.185 -6.848 1.00 0.00 O ATOM 0 H GLY A 52 9.094 15.027 -7.750 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.781 14.799 -6.240 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.442 14.329 -5.212 1.00 0.00 H new ATOM 692 N THR A 53 10.365 12.075 -4.793 1.00 0.00 N ATOM 693 CA THR A 53 10.901 10.750 -4.508 1.00 0.00 C ATOM 694 C THR A 53 9.792 9.781 -4.113 1.00 0.00 C ATOM 695 O THR A 53 9.235 9.872 -3.018 1.00 0.00 O ATOM 696 CB THR A 53 11.949 10.798 -3.380 1.00 0.00 C ATOM 697 OG1 THR A 53 11.350 11.285 -2.174 1.00 0.00 O ATOM 698 CG2 THR A 53 13.119 11.691 -3.767 1.00 0.00 C ATOM 0 H THR A 53 9.808 12.476 -4.039 1.00 0.00 H new ATOM 0 HA THR A 53 11.378 10.399 -5.423 1.00 0.00 H new ATOM 0 HB THR A 53 12.321 9.787 -3.217 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.429 10.957 -2.110 1.00 0.00 H new ATOM 0 HG21 THR A 53 13.846 11.710 -2.955 1.00 0.00 H new ATOM 0 HG22 THR A 53 13.591 11.301 -4.669 1.00 0.00 H new ATOM 0 HG23 THR A 53 12.758 12.702 -3.954 1.00 0.00 H new ATOM 706 N LEU A 54 9.475 8.854 -5.010 1.00 0.00 N ATOM 707 CA LEU A 54 8.432 7.867 -4.755 1.00 0.00 C ATOM 708 C LEU A 54 8.972 6.704 -3.929 1.00 0.00 C ATOM 709 O LEU A 54 9.814 5.937 -4.395 1.00 0.00 O ATOM 710 CB LEU A 54 7.861 7.347 -6.075 1.00 0.00 C ATOM 711 CG LEU A 54 6.396 6.909 -6.047 1.00 0.00 C ATOM 712 CD1 LEU A 54 6.246 5.594 -5.299 1.00 0.00 C ATOM 713 CD2 LEU A 54 5.529 7.988 -5.413 1.00 0.00 C ATOM 0 H LEU A 54 9.926 8.765 -5.921 1.00 0.00 H new ATOM 0 HA LEU A 54 7.638 8.353 -4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.972 8.127 -6.828 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.466 6.501 -6.401 1.00 0.00 H new ATOM 0 HG LEU A 54 6.062 6.759 -7.074 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.197 5.298 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.836 4.824 -5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.598 5.716 -4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.490 7.659 -5.401 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.863 8.170 -4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.612 8.908 -5.991 1.00 0.00 H new ATOM 725 N SER A 55 8.481 6.580 -2.700 1.00 0.00 N ATOM 726 CA SER A 55 8.916 5.512 -1.807 1.00 0.00 C ATOM 727 C SER A 55 7.739 4.632 -1.399 1.00 0.00 C ATOM 728 O SER A 55 6.911 5.024 -0.577 1.00 0.00 O ATOM 729 CB SER A 55 9.584 6.099 -0.563 1.00 0.00 C ATOM 730 OG SER A 55 10.860 6.633 -0.872 1.00 0.00 O ATOM 0 H SER A 55 7.782 7.206 -2.300 1.00 0.00 H new ATOM 0 HA SER A 55 9.639 4.896 -2.342 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.952 6.881 -0.142 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.685 5.326 0.198 1.00 0.00 H new ATOM 0 HG SER A 55 11.265 7.003 -0.060 1.00 0.00 H new ATOM 736 N VAL A 56 7.670 3.438 -1.982 1.00 0.00 N ATOM 737 CA VAL A 56 6.595 2.501 -1.679 1.00 0.00 C ATOM 738 C VAL A 56 7.121 1.290 -0.915 1.00 0.00 C ATOM 739 O VAL A 56 8.262 0.868 -1.107 1.00 0.00 O ATOM 740 CB VAL A 56 5.893 2.019 -2.962 1.00 0.00 C ATOM 741 CG1 VAL A 56 6.877 1.297 -3.871 1.00 0.00 C ATOM 742 CG2 VAL A 56 4.714 1.121 -2.619 1.00 0.00 C ATOM 0 H VAL A 56 8.346 3.098 -2.666 1.00 0.00 H new ATOM 0 HA VAL A 56 5.875 3.034 -1.058 1.00 0.00 H new ATOM 0 HB VAL A 56 5.514 2.890 -3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.363 0.964 -4.772 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.685 1.975 -4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.289 0.434 -3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.230 0.790 -3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.067 0.253 -2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.999 1.676 -2.011 1.00 0.00 H new ATOM 752 N THR A 57 6.281 0.734 -0.048 1.00 0.00 N ATOM 753 CA THR A 57 6.660 -0.427 0.746 1.00 0.00 C ATOM 754 C THR A 57 5.471 -1.355 0.966 1.00 0.00 C ATOM 755 O THR A 57 4.323 -0.910 1.005 1.00 0.00 O ATOM 756 CB THR A 57 7.231 -0.011 2.114 1.00 0.00 C ATOM 757 OG1 THR A 57 8.323 0.899 1.933 1.00 0.00 O ATOM 758 CG2 THR A 57 7.703 -1.227 2.897 1.00 0.00 C ATOM 0 H THR A 57 5.333 1.070 0.122 1.00 0.00 H new ATOM 0 HA THR A 57 7.431 -0.955 0.184 1.00 0.00 H new ATOM 0 HB THR A 57 6.439 0.480 2.679 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.680 1.160 2.808 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.102 -0.907 3.860 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.864 -1.904 3.059 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.482 -1.742 2.334 1.00 0.00 H new ATOM 766 N ILE A 58 5.751 -2.646 1.109 1.00 0.00 N ATOM 767 CA ILE A 58 4.704 -3.635 1.327 1.00 0.00 C ATOM 768 C ILE A 58 5.179 -4.742 2.263 1.00 0.00 C ATOM 769 O ILE A 58 6.306 -5.221 2.151 1.00 0.00 O ATOM 770 CB ILE A 58 4.239 -4.265 0.001 1.00 0.00 C ATOM 771 CG1 ILE A 58 3.687 -3.187 -0.935 1.00 0.00 C ATOM 772 CG2 ILE A 58 3.190 -5.336 0.261 1.00 0.00 C ATOM 773 CD1 ILE A 58 3.490 -3.665 -2.357 1.00 0.00 C ATOM 0 H ILE A 58 6.695 -3.031 1.078 1.00 0.00 H new ATOM 0 HA ILE A 58 3.865 -3.110 1.784 1.00 0.00 H new ATOM 0 HB ILE A 58 5.097 -4.734 -0.481 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.734 -2.831 -0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.368 -2.336 -0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.872 -5.771 -0.686 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.615 -6.115 0.894 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.331 -4.890 0.762 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.097 -2.849 -2.964 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.445 -3.994 -2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.786 -4.497 -2.367 1.00 0.00 H new ATOM 785 N GLU A 59 4.309 -5.143 3.185 1.00 0.00 N ATOM 786 CA GLU A 59 4.640 -6.194 4.140 1.00 0.00 C ATOM 787 C GLU A 59 3.579 -7.291 4.131 1.00 0.00 C ATOM 788 O GLU A 59 2.410 -7.037 3.844 1.00 0.00 O ATOM 789 CB GLU A 59 4.774 -5.611 5.548 1.00 0.00 C ATOM 790 CG GLU A 59 6.147 -5.027 5.837 1.00 0.00 C ATOM 791 CD GLU A 59 6.265 -4.483 7.247 1.00 0.00 C ATOM 792 OE1 GLU A 59 5.887 -3.313 7.466 1.00 0.00 O ATOM 793 OE2 GLU A 59 6.736 -5.228 8.132 1.00 0.00 O ATOM 0 H GLU A 59 3.371 -4.756 3.291 1.00 0.00 H new ATOM 0 HA GLU A 59 5.593 -6.632 3.844 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.022 -4.834 5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.560 -6.392 6.277 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.904 -5.796 5.684 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.355 -4.228 5.125 1.00 0.00 H new ATOM 800 N GLY A 60 3.997 -8.513 4.447 1.00 0.00 N ATOM 801 CA GLY A 60 3.072 -9.631 4.469 1.00 0.00 C ATOM 802 C GLY A 60 3.743 -10.932 4.864 1.00 0.00 C ATOM 803 O GLY A 60 4.964 -11.009 4.998 1.00 0.00 O ATOM 0 H GLY A 60 4.960 -8.749 4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.264 -9.416 5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.620 -9.744 3.484 1.00 0.00 H new ATOM 807 N PRO A 61 2.935 -11.985 5.057 1.00 0.00 N ATOM 808 CA PRO A 61 3.436 -13.307 5.442 1.00 0.00 C ATOM 809 C PRO A 61 4.210 -13.984 4.316 1.00 0.00 C ATOM 810 O PRO A 61 4.909 -14.973 4.538 1.00 0.00 O ATOM 811 CB PRO A 61 2.160 -14.091 5.760 1.00 0.00 C ATOM 812 CG PRO A 61 1.095 -13.420 4.963 1.00 0.00 C ATOM 813 CD PRO A 61 1.469 -11.965 4.914 1.00 0.00 C ATOM 0 HA PRO A 61 4.137 -13.251 6.275 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.260 -15.140 5.482 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.934 -14.063 6.826 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.035 -13.841 3.960 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.117 -13.556 5.425 1.00 0.00 H new ATOM 0 HD2 PRO A 61 1.163 -11.503 3.976 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.994 -11.401 5.717 1.00 0.00 H new ATOM 821 N SER A 62 4.081 -13.445 3.108 1.00 0.00 N ATOM 822 CA SER A 62 4.767 -14.000 1.946 1.00 0.00 C ATOM 823 C SER A 62 5.292 -12.888 1.043 1.00 0.00 C ATOM 824 O SER A 62 4.518 -12.137 0.449 1.00 0.00 O ATOM 825 CB SER A 62 3.823 -14.910 1.158 1.00 0.00 C ATOM 826 OG SER A 62 3.701 -16.178 1.778 1.00 0.00 O ATOM 0 H SER A 62 3.508 -12.625 2.908 1.00 0.00 H new ATOM 0 HA SER A 62 5.615 -14.587 2.300 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.841 -14.443 1.083 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.196 -15.033 0.141 1.00 0.00 H new ATOM 0 HG SER A 62 4.049 -16.130 2.693 1.00 0.00 H new ATOM 832 N LYS A 63 6.613 -12.788 0.945 1.00 0.00 N ATOM 833 CA LYS A 63 7.245 -11.770 0.115 1.00 0.00 C ATOM 834 C LYS A 63 6.568 -11.684 -1.250 1.00 0.00 C ATOM 835 O LYS A 63 6.115 -12.692 -1.793 1.00 0.00 O ATOM 836 CB LYS A 63 8.734 -12.077 -0.061 1.00 0.00 C ATOM 837 CG LYS A 63 9.519 -12.039 1.239 1.00 0.00 C ATOM 838 CD LYS A 63 9.877 -10.616 1.634 1.00 0.00 C ATOM 839 CE LYS A 63 10.817 -10.589 2.829 1.00 0.00 C ATOM 840 NZ LYS A 63 10.096 -10.836 4.108 1.00 0.00 N ATOM 0 H LYS A 63 7.268 -13.401 1.431 1.00 0.00 H new ATOM 0 HA LYS A 63 7.136 -10.809 0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.842 -13.063 -0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.165 -11.358 -0.758 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.932 -12.501 2.033 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.430 -12.628 1.132 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.345 -10.110 0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.968 -10.064 1.872 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.593 -11.344 2.698 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.318 -9.622 2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.772 -10.809 4.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.373 -10.102 4.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.639 -11.770 4.074 1.00 0.00 H new ATOM 854 N VAL A 64 6.506 -10.476 -1.800 1.00 0.00 N ATOM 855 CA VAL A 64 5.887 -10.259 -3.102 1.00 0.00 C ATOM 856 C VAL A 64 6.778 -9.406 -3.998 1.00 0.00 C ATOM 857 O VAL A 64 7.483 -8.515 -3.524 1.00 0.00 O ATOM 858 CB VAL A 64 4.513 -9.578 -2.965 1.00 0.00 C ATOM 859 CG1 VAL A 64 3.569 -10.442 -2.141 1.00 0.00 C ATOM 860 CG2 VAL A 64 4.662 -8.197 -2.345 1.00 0.00 C ATOM 0 H VAL A 64 6.877 -9.632 -1.364 1.00 0.00 H new ATOM 0 HA VAL A 64 5.753 -11.241 -3.556 1.00 0.00 H new ATOM 0 HB VAL A 64 4.085 -9.460 -3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.603 -9.945 -2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.438 -11.407 -2.631 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.989 -10.594 -1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.681 -7.730 -2.256 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.111 -8.289 -1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.301 -7.581 -2.978 1.00 0.00 H new ATOM 870 N LYS A 65 6.740 -9.684 -5.297 1.00 0.00 N ATOM 871 CA LYS A 65 7.542 -8.941 -6.262 1.00 0.00 C ATOM 872 C LYS A 65 6.798 -7.700 -6.746 1.00 0.00 C ATOM 873 O LYS A 65 5.622 -7.768 -7.099 1.00 0.00 O ATOM 874 CB LYS A 65 7.898 -9.832 -7.454 1.00 0.00 C ATOM 875 CG LYS A 65 6.686 -10.361 -8.202 1.00 0.00 C ATOM 876 CD LYS A 65 6.267 -9.421 -9.320 1.00 0.00 C ATOM 877 CE LYS A 65 6.967 -9.762 -10.626 1.00 0.00 C ATOM 878 NZ LYS A 65 6.708 -8.740 -11.678 1.00 0.00 N ATOM 0 H LYS A 65 6.162 -10.419 -5.706 1.00 0.00 H new ATOM 0 HA LYS A 65 8.460 -8.624 -5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.523 -9.267 -8.145 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.493 -10.674 -7.102 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.913 -11.343 -8.617 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.857 -10.493 -7.507 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.187 -9.478 -9.459 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.499 -8.394 -9.039 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.040 -9.841 -10.453 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.628 -10.737 -10.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.202 -9.009 -12.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.686 -8.682 -11.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.054 -7.814 -11.355 1.00 0.00 H new ATOM 892 N MET A 66 7.494 -6.567 -6.762 1.00 0.00 N ATOM 893 CA MET A 66 6.900 -5.312 -7.206 1.00 0.00 C ATOM 894 C MET A 66 7.439 -4.909 -8.575 1.00 0.00 C ATOM 895 O MET A 66 8.613 -5.124 -8.877 1.00 0.00 O ATOM 896 CB MET A 66 7.179 -4.203 -6.189 1.00 0.00 C ATOM 897 CG MET A 66 6.185 -4.169 -5.039 1.00 0.00 C ATOM 898 SD MET A 66 6.605 -2.935 -3.794 1.00 0.00 S ATOM 899 CE MET A 66 7.004 -3.985 -2.398 1.00 0.00 C ATOM 0 H MET A 66 8.469 -6.493 -6.473 1.00 0.00 H new ATOM 0 HA MET A 66 5.823 -5.458 -7.288 1.00 0.00 H new ATOM 0 HB2 MET A 66 8.183 -4.335 -5.787 1.00 0.00 H new ATOM 0 HB3 MET A 66 7.164 -3.240 -6.700 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.189 -3.960 -5.431 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.143 -5.152 -4.571 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.751 -3.470 -1.471 1.00 0.00 H new ATOM 0 HE2 MET A 66 6.435 -4.912 -2.465 1.00 0.00 H new ATOM 0 HE3 MET A 66 8.070 -4.213 -2.407 1.00 0.00 H new ATOM 909 N ASP A 67 6.574 -4.326 -9.398 1.00 0.00 N ATOM 910 CA ASP A 67 6.964 -3.893 -10.734 1.00 0.00 C ATOM 911 C ASP A 67 6.923 -2.372 -10.847 1.00 0.00 C ATOM 912 O ASP A 67 5.987 -1.807 -11.413 1.00 0.00 O ATOM 913 CB ASP A 67 6.045 -4.519 -11.785 1.00 0.00 C ATOM 914 CG ASP A 67 6.688 -4.576 -13.156 1.00 0.00 C ATOM 915 OD1 ASP A 67 7.222 -3.540 -13.606 1.00 0.00 O ATOM 916 OD2 ASP A 67 6.659 -5.657 -13.780 1.00 0.00 O ATOM 0 H ASP A 67 5.599 -4.143 -9.163 1.00 0.00 H new ATOM 0 HA ASP A 67 7.987 -4.225 -10.912 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.774 -5.527 -11.472 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.121 -3.944 -11.844 1.00 0.00 H new ATOM 921 N CYS A 68 7.942 -1.717 -10.302 1.00 0.00 N ATOM 922 CA CYS A 68 8.021 -0.261 -10.339 1.00 0.00 C ATOM 923 C CYS A 68 8.018 0.248 -11.777 1.00 0.00 C ATOM 924 O CYS A 68 9.046 0.227 -12.455 1.00 0.00 O ATOM 925 CB CYS A 68 9.281 0.221 -9.618 1.00 0.00 C ATOM 926 SG CYS A 68 9.382 2.016 -9.427 1.00 0.00 S ATOM 0 H CYS A 68 8.724 -2.170 -9.830 1.00 0.00 H new ATOM 0 HA CYS A 68 7.144 0.138 -9.829 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.321 -0.241 -8.632 1.00 0.00 H new ATOM 0 HB3 CYS A 68 10.156 -0.125 -10.168 1.00 0.00 H new ATOM 0 HG CYS A 68 10.481 2.325 -8.804 1.00 0.00 H new ATOM 932 N GLN A 69 6.857 0.701 -12.237 1.00 0.00 N ATOM 933 CA GLN A 69 6.720 1.212 -13.595 1.00 0.00 C ATOM 934 C GLN A 69 6.140 2.623 -13.591 1.00 0.00 C ATOM 935 O GLN A 69 5.025 2.844 -13.119 1.00 0.00 O ATOM 936 CB GLN A 69 5.830 0.285 -14.424 1.00 0.00 C ATOM 937 CG GLN A 69 5.776 0.652 -15.899 1.00 0.00 C ATOM 938 CD GLN A 69 7.015 0.215 -16.655 1.00 0.00 C ATOM 939 OE1 GLN A 69 7.168 -0.959 -16.993 1.00 0.00 O ATOM 940 NE2 GLN A 69 7.908 1.160 -16.925 1.00 0.00 N ATOM 0 H GLN A 69 5.997 0.725 -11.689 1.00 0.00 H new ATOM 0 HA GLN A 69 7.713 1.248 -14.044 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.194 -0.738 -14.326 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.819 0.305 -14.016 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.898 0.192 -16.352 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.657 1.731 -15.997 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.740 2.121 -16.626 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.762 0.925 -17.432 1.00 0.00 H new ATOM 949 N GLU A 70 6.905 3.574 -14.118 1.00 0.00 N ATOM 950 CA GLU A 70 6.466 4.963 -14.173 1.00 0.00 C ATOM 951 C GLU A 70 5.339 5.138 -15.187 1.00 0.00 C ATOM 952 O GLU A 70 5.191 4.340 -16.113 1.00 0.00 O ATOM 953 CB GLU A 70 7.639 5.878 -14.535 1.00 0.00 C ATOM 954 CG GLU A 70 8.193 5.635 -15.929 1.00 0.00 C ATOM 955 CD GLU A 70 9.666 5.978 -16.039 1.00 0.00 C ATOM 956 OE1 GLU A 70 10.388 5.824 -15.032 1.00 0.00 O ATOM 957 OE2 GLU A 70 10.096 6.400 -17.133 1.00 0.00 O ATOM 0 H GLU A 70 7.831 3.408 -14.512 1.00 0.00 H new ATOM 0 HA GLU A 70 6.091 5.238 -13.187 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.316 6.916 -14.457 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.437 5.737 -13.806 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.046 4.589 -16.197 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.630 6.230 -16.648 1.00 0.00 H new ATOM 964 N THR A 71 4.545 6.189 -15.005 1.00 0.00 N ATOM 965 CA THR A 71 3.430 6.469 -15.901 1.00 0.00 C ATOM 966 C THR A 71 3.228 7.970 -16.074 1.00 0.00 C ATOM 967 O THR A 71 3.587 8.773 -15.212 1.00 0.00 O ATOM 968 CB THR A 71 2.122 5.842 -15.383 1.00 0.00 C ATOM 969 OG1 THR A 71 1.987 6.081 -13.978 1.00 0.00 O ATOM 970 CG2 THR A 71 2.096 4.345 -15.653 1.00 0.00 C ATOM 0 H THR A 71 4.654 6.860 -14.245 1.00 0.00 H new ATOM 0 HA THR A 71 3.679 6.025 -16.865 1.00 0.00 H new ATOM 0 HB THR A 71 1.289 6.305 -15.911 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.152 5.681 -13.657 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.163 3.924 -15.279 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.169 4.167 -16.726 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.937 3.870 -15.148 1.00 0.00 H new ATOM 978 N PRO A 72 2.638 8.361 -17.213 1.00 0.00 N ATOM 979 CA PRO A 72 2.373 9.768 -17.525 1.00 0.00 C ATOM 980 C PRO A 72 1.281 10.362 -16.642 1.00 0.00 C ATOM 981 O PRO A 72 0.939 11.537 -16.769 1.00 0.00 O ATOM 982 CB PRO A 72 1.917 9.728 -18.986 1.00 0.00 C ATOM 983 CG PRO A 72 1.368 8.356 -19.174 1.00 0.00 C ATOM 984 CD PRO A 72 2.184 7.459 -18.285 1.00 0.00 C ATOM 0 HA PRO A 72 3.248 10.395 -17.355 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.161 10.488 -19.186 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.748 9.919 -19.665 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.313 8.318 -18.904 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.442 8.045 -20.216 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.589 6.635 -17.891 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.024 7.018 -18.822 1.00 0.00 H new ATOM 992 N GLU A 73 0.739 9.542 -15.747 1.00 0.00 N ATOM 993 CA GLU A 73 -0.314 9.988 -14.843 1.00 0.00 C ATOM 994 C GLU A 73 0.211 10.114 -13.415 1.00 0.00 C ATOM 995 O GLU A 73 0.047 11.149 -12.771 1.00 0.00 O ATOM 996 CB GLU A 73 -1.495 9.015 -14.880 1.00 0.00 C ATOM 997 CG GLU A 73 -2.576 9.331 -13.860 1.00 0.00 C ATOM 998 CD GLU A 73 -3.484 10.461 -14.304 1.00 0.00 C ATOM 999 OE1 GLU A 73 -3.035 11.299 -15.114 1.00 0.00 O ATOM 1000 OE2 GLU A 73 -4.643 10.508 -13.841 1.00 0.00 O ATOM 0 H GLU A 73 1.012 8.566 -15.629 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.651 10.970 -15.176 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.934 9.027 -15.878 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.127 8.004 -14.706 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.174 8.438 -13.682 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.109 9.596 -12.912 1.00 0.00 H new ATOM 1007 N GLY A 74 0.842 9.051 -12.927 1.00 0.00 N ATOM 1008 CA GLY A 74 1.381 9.061 -11.580 1.00 0.00 C ATOM 1009 C GLY A 74 2.383 7.948 -11.347 1.00 0.00 C ATOM 1010 O GLY A 74 3.587 8.142 -11.517 1.00 0.00 O ATOM 0 H GLY A 74 0.990 8.182 -13.441 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.860 10.022 -11.391 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.564 8.966 -10.865 1.00 0.00 H new ATOM 1014 N TYR A 75 1.887 6.780 -10.956 1.00 0.00 N ATOM 1015 CA TYR A 75 2.747 5.632 -10.696 1.00 0.00 C ATOM 1016 C TYR A 75 1.933 4.344 -10.627 1.00 0.00 C ATOM 1017 O TYR A 75 1.069 4.187 -9.763 1.00 0.00 O ATOM 1018 CB TYR A 75 3.518 5.832 -9.389 1.00 0.00 C ATOM 1019 CG TYR A 75 4.849 6.526 -9.571 1.00 0.00 C ATOM 1020 CD1 TYR A 75 5.878 5.920 -10.281 1.00 0.00 C ATOM 1021 CD2 TYR A 75 5.077 7.786 -9.032 1.00 0.00 C ATOM 1022 CE1 TYR A 75 7.097 6.550 -10.449 1.00 0.00 C ATOM 1023 CE2 TYR A 75 6.292 8.423 -9.197 1.00 0.00 C ATOM 1024 CZ TYR A 75 7.298 7.801 -9.905 1.00 0.00 C ATOM 1025 OH TYR A 75 8.510 8.433 -10.070 1.00 0.00 O ATOM 0 H TYR A 75 0.893 6.603 -10.812 1.00 0.00 H new ATOM 0 HA TYR A 75 3.456 5.548 -11.520 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.905 6.414 -8.701 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.685 4.861 -8.923 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.723 4.941 -10.709 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.292 8.276 -8.475 1.00 0.00 H new ATOM 0 HE1 TYR A 75 7.887 6.065 -11.003 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.453 9.403 -8.773 1.00 0.00 H new ATOM 0 HH TYR A 75 8.486 9.307 -9.627 1.00 0.00 H new ATOM 1035 N LYS A 76 2.214 3.424 -11.543 1.00 0.00 N ATOM 1036 CA LYS A 76 1.510 2.148 -11.588 1.00 0.00 C ATOM 1037 C LYS A 76 2.239 1.096 -10.759 1.00 0.00 C ATOM 1038 O LYS A 76 3.302 0.611 -11.147 1.00 0.00 O ATOM 1039 CB LYS A 76 1.374 1.668 -13.035 1.00 0.00 C ATOM 1040 CG LYS A 76 0.145 0.809 -13.277 1.00 0.00 C ATOM 1041 CD LYS A 76 -0.075 0.557 -14.759 1.00 0.00 C ATOM 1042 CE LYS A 76 -0.982 -0.642 -14.992 1.00 0.00 C ATOM 1043 NZ LYS A 76 -0.929 -1.112 -16.404 1.00 0.00 N ATOM 0 H LYS A 76 2.925 3.538 -12.265 1.00 0.00 H new ATOM 0 HA LYS A 76 0.516 2.294 -11.165 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.337 2.535 -13.695 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.264 1.099 -13.306 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.257 -0.143 -12.758 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.732 1.300 -12.856 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.515 1.442 -15.218 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.885 0.389 -15.247 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.688 -1.454 -14.328 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.008 -0.377 -14.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.561 -1.930 -16.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.234 -0.345 -17.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.045 -1.390 -16.641 1.00 0.00 H new ATOM 1057 N VAL A 77 1.660 0.745 -9.615 1.00 0.00 N ATOM 1058 CA VAL A 77 2.253 -0.253 -8.732 1.00 0.00 C ATOM 1059 C VAL A 77 1.466 -1.557 -8.769 1.00 0.00 C ATOM 1060 O VAL A 77 0.321 -1.616 -8.321 1.00 0.00 O ATOM 1061 CB VAL A 77 2.320 0.253 -7.279 1.00 0.00 C ATOM 1062 CG1 VAL A 77 2.883 -0.824 -6.364 1.00 0.00 C ATOM 1063 CG2 VAL A 77 3.151 1.524 -7.195 1.00 0.00 C ATOM 0 H VAL A 77 0.781 1.137 -9.278 1.00 0.00 H new ATOM 0 HA VAL A 77 3.265 -0.434 -9.093 1.00 0.00 H new ATOM 0 HB VAL A 77 1.308 0.486 -6.947 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.923 -0.448 -5.342 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.243 -1.705 -6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.888 -1.091 -6.692 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.187 1.867 -6.161 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.163 1.321 -7.546 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.699 2.296 -7.818 1.00 0.00 H new ATOM 1073 N MET A 78 2.087 -2.602 -9.306 1.00 0.00 N ATOM 1074 CA MET A 78 1.444 -3.908 -9.400 1.00 0.00 C ATOM 1075 C MET A 78 2.115 -4.913 -8.469 1.00 0.00 C ATOM 1076 O MET A 78 3.316 -4.827 -8.210 1.00 0.00 O ATOM 1077 CB MET A 78 1.490 -4.420 -10.840 1.00 0.00 C ATOM 1078 CG MET A 78 0.920 -3.440 -11.853 1.00 0.00 C ATOM 1079 SD MET A 78 2.140 -2.238 -12.418 1.00 0.00 S ATOM 1080 CE MET A 78 3.121 -3.247 -13.526 1.00 0.00 C ATOM 0 H MET A 78 3.034 -2.570 -9.683 1.00 0.00 H new ATOM 0 HA MET A 78 0.404 -3.796 -9.095 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.524 -4.643 -11.105 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.936 -5.357 -10.902 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.535 -3.992 -12.710 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.076 -2.913 -11.408 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.148 -2.881 -13.539 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.109 -4.281 -13.183 1.00 0.00 H new ATOM 0 HE3 MET A 78 2.704 -3.194 -14.532 1.00 0.00 H new ATOM 1090 N TYR A 79 1.334 -5.863 -7.968 1.00 0.00 N ATOM 1091 CA TYR A 79 1.852 -6.882 -7.064 1.00 0.00 C ATOM 1092 C TYR A 79 0.925 -8.093 -7.018 1.00 0.00 C ATOM 1093 O TYR A 79 -0.298 -7.956 -7.052 1.00 0.00 O ATOM 1094 CB TYR A 79 2.026 -6.305 -5.658 1.00 0.00 C ATOM 1095 CG TYR A 79 0.720 -5.950 -4.984 1.00 0.00 C ATOM 1096 CD1 TYR A 79 -0.064 -6.929 -4.385 1.00 0.00 C ATOM 1097 CD2 TYR A 79 0.269 -4.636 -4.946 1.00 0.00 C ATOM 1098 CE1 TYR A 79 -1.258 -6.609 -3.769 1.00 0.00 C ATOM 1099 CE2 TYR A 79 -0.923 -4.307 -4.330 1.00 0.00 C ATOM 1100 CZ TYR A 79 -1.683 -5.297 -3.743 1.00 0.00 C ATOM 1101 OH TYR A 79 -2.872 -4.974 -3.130 1.00 0.00 O ATOM 0 H TYR A 79 0.338 -5.949 -8.173 1.00 0.00 H new ATOM 0 HA TYR A 79 2.823 -7.205 -7.440 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.559 -7.028 -5.041 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.650 -5.413 -5.715 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.266 -7.957 -4.402 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.861 -3.858 -5.406 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -1.856 -7.382 -3.310 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.258 -3.280 -4.308 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.594 -4.983 -3.792 1.00 0.00 H new ATOM 1111 N THR A 80 1.517 -9.281 -6.940 1.00 0.00 N ATOM 1112 CA THR A 80 0.747 -10.517 -6.890 1.00 0.00 C ATOM 1113 C THR A 80 1.175 -11.384 -5.712 1.00 0.00 C ATOM 1114 O THR A 80 2.238 -12.005 -5.722 1.00 0.00 O ATOM 1115 CB THR A 80 0.899 -11.327 -8.192 1.00 0.00 C ATOM 1116 OG1 THR A 80 0.455 -10.548 -9.308 1.00 0.00 O ATOM 1117 CG2 THR A 80 0.102 -12.620 -8.121 1.00 0.00 C ATOM 0 H THR A 80 2.528 -9.413 -6.910 1.00 0.00 H new ATOM 0 HA THR A 80 -0.298 -10.233 -6.768 1.00 0.00 H new ATOM 0 HB THR A 80 1.953 -11.575 -8.319 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.556 -11.069 -10.132 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.225 -13.175 -9.051 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.462 -13.224 -7.288 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.953 -12.389 -7.973 1.00 0.00 H new ATOM 1125 N PRO A 81 0.329 -11.430 -4.672 1.00 0.00 N ATOM 1126 CA PRO A 81 0.599 -12.220 -3.467 1.00 0.00 C ATOM 1127 C PRO A 81 0.516 -13.721 -3.727 1.00 0.00 C ATOM 1128 O PRO A 81 -0.530 -14.234 -4.123 1.00 0.00 O ATOM 1129 CB PRO A 81 -0.505 -11.783 -2.502 1.00 0.00 C ATOM 1130 CG PRO A 81 -1.613 -11.315 -3.381 1.00 0.00 C ATOM 1131 CD PRO A 81 -0.955 -10.715 -4.593 1.00 0.00 C ATOM 0 HA PRO A 81 1.607 -12.053 -3.087 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.825 -12.609 -1.867 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -0.161 -10.987 -1.841 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.265 -12.142 -3.661 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.233 -10.579 -2.869 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.554 -10.864 -5.491 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -0.811 -9.640 -4.481 1.00 0.00 H new ATOM 1139 N MET A 82 1.625 -14.418 -3.501 1.00 0.00 N ATOM 1140 CA MET A 82 1.676 -15.860 -3.709 1.00 0.00 C ATOM 1141 C MET A 82 0.858 -16.592 -2.650 1.00 0.00 C ATOM 1142 O MET A 82 0.229 -17.611 -2.932 1.00 0.00 O ATOM 1143 CB MET A 82 3.124 -16.350 -3.681 1.00 0.00 C ATOM 1144 CG MET A 82 3.852 -16.174 -5.004 1.00 0.00 C ATOM 1145 SD MET A 82 4.585 -14.537 -5.181 1.00 0.00 S ATOM 1146 CE MET A 82 5.219 -14.629 -6.853 1.00 0.00 C ATOM 0 H MET A 82 2.500 -14.008 -3.174 1.00 0.00 H new ATOM 0 HA MET A 82 1.246 -16.076 -4.687 1.00 0.00 H new ATOM 0 HB2 MET A 82 3.666 -15.812 -2.903 1.00 0.00 H new ATOM 0 HB3 MET A 82 3.137 -17.405 -3.406 1.00 0.00 H new ATOM 0 HG2 MET A 82 4.634 -16.929 -5.087 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.154 -16.346 -5.824 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.703 -13.687 -7.111 1.00 0.00 H new ATOM 0 HE2 MET A 82 5.943 -15.441 -6.923 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.397 -14.815 -7.544 1.00 0.00 H new ATOM 1156 N ALA A 83 0.872 -16.065 -1.430 1.00 0.00 N ATOM 1157 CA ALA A 83 0.130 -16.667 -0.329 1.00 0.00 C ATOM 1158 C ALA A 83 -0.817 -15.658 0.312 1.00 0.00 C ATOM 1159 O ALA A 83 -0.542 -14.459 0.364 1.00 0.00 O ATOM 1160 CB ALA A 83 1.090 -17.227 0.710 1.00 0.00 C ATOM 0 H ALA A 83 1.389 -15.222 -1.179 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.470 -17.483 -0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.522 -17.673 1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.722 -17.986 0.250 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.714 -16.423 1.099 1.00 0.00 H new ATOM 1166 N PRO A 84 -1.959 -16.152 0.813 1.00 0.00 N ATOM 1167 CA PRO A 84 -2.969 -15.310 1.460 1.00 0.00 C ATOM 1168 C PRO A 84 -2.498 -14.770 2.806 1.00 0.00 C ATOM 1169 O PRO A 84 -1.391 -15.067 3.252 1.00 0.00 O ATOM 1170 CB PRO A 84 -4.154 -16.260 1.650 1.00 0.00 C ATOM 1171 CG PRO A 84 -3.545 -17.619 1.699 1.00 0.00 C ATOM 1172 CD PRO A 84 -2.351 -17.571 0.787 1.00 0.00 C ATOM 0 HA PRO A 84 -3.204 -14.427 0.866 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.698 -16.036 2.568 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -4.866 -16.174 0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.249 -17.878 2.716 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.256 -18.377 1.371 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -1.548 -18.216 1.142 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.602 -17.900 -0.221 1.00 0.00 H new ATOM 1180 N GLY A 85 -3.347 -13.974 3.449 1.00 0.00 N ATOM 1181 CA GLY A 85 -2.999 -13.405 4.738 1.00 0.00 C ATOM 1182 C GLY A 85 -3.237 -11.909 4.795 1.00 0.00 C ATOM 1183 O GLY A 85 -3.934 -11.352 3.948 1.00 0.00 O ATOM 0 H GLY A 85 -4.269 -13.713 3.100 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.585 -13.893 5.517 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.950 -13.611 4.951 1.00 0.00 H new ATOM 1187 N ASN A 86 -2.656 -11.257 5.797 1.00 0.00 N ATOM 1188 CA ASN A 86 -2.810 -9.816 5.962 1.00 0.00 C ATOM 1189 C ASN A 86 -1.587 -9.074 5.432 1.00 0.00 C ATOM 1190 O ASN A 86 -0.466 -9.296 5.890 1.00 0.00 O ATOM 1191 CB ASN A 86 -3.030 -9.471 7.436 1.00 0.00 C ATOM 1192 CG ASN A 86 -4.116 -10.318 8.072 1.00 0.00 C ATOM 1193 OD1 ASN A 86 -3.879 -11.462 8.461 1.00 0.00 O ATOM 1194 ND2 ASN A 86 -5.315 -9.758 8.181 1.00 0.00 N ATOM 0 H ASN A 86 -2.075 -11.703 6.506 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.681 -9.501 5.388 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.097 -9.611 7.982 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.296 -8.418 7.524 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.085 -10.279 8.601 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -5.466 -8.807 7.845 1.00 0.00 H new ATOM 1201 N TYR A 87 -1.811 -8.191 4.464 1.00 0.00 N ATOM 1202 CA TYR A 87 -0.728 -7.417 3.870 1.00 0.00 C ATOM 1203 C TYR A 87 -0.854 -5.940 4.228 1.00 0.00 C ATOM 1204 O TYR A 87 -1.955 -5.434 4.448 1.00 0.00 O ATOM 1205 CB TYR A 87 -0.727 -7.587 2.350 1.00 0.00 C ATOM 1206 CG TYR A 87 -0.162 -8.911 1.888 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -0.869 -10.093 2.074 1.00 0.00 C ATOM 1208 CD2 TYR A 87 1.080 -8.982 1.269 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -0.357 -11.305 1.654 1.00 0.00 C ATOM 1210 CE2 TYR A 87 1.599 -10.189 0.845 1.00 0.00 C ATOM 1211 CZ TYR A 87 0.877 -11.348 1.040 1.00 0.00 C ATOM 1212 OH TYR A 87 1.392 -12.554 0.621 1.00 0.00 O ATOM 0 H TYR A 87 -2.733 -7.994 4.075 1.00 0.00 H new ATOM 0 HA TYR A 87 0.214 -7.790 4.272 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -1.748 -7.489 1.981 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -0.148 -6.779 1.903 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.835 -10.063 2.555 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.649 -8.077 1.117 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.920 -12.214 1.806 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.565 -10.226 0.363 1.00 0.00 H new ATOM 0 HH TYR A 87 0.658 -13.169 0.412 1.00 0.00 H new ATOM 1222 N LEU A 88 0.281 -5.253 4.285 1.00 0.00 N ATOM 1223 CA LEU A 88 0.301 -3.832 4.615 1.00 0.00 C ATOM 1224 C LEU A 88 1.071 -3.039 3.565 1.00 0.00 C ATOM 1225 O LEU A 88 2.229 -3.338 3.273 1.00 0.00 O ATOM 1226 CB LEU A 88 0.927 -3.618 5.994 1.00 0.00 C ATOM 1227 CG LEU A 88 0.703 -2.244 6.627 1.00 0.00 C ATOM 1228 CD1 LEU A 88 -0.603 -2.222 7.407 1.00 0.00 C ATOM 1229 CD2 LEU A 88 1.871 -1.876 7.530 1.00 0.00 C ATOM 0 H LEU A 88 1.200 -5.657 4.107 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.728 -3.473 4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.534 -4.376 6.671 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.001 -3.788 5.914 1.00 0.00 H new ATOM 0 HG LEU A 88 0.639 -1.504 5.829 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.745 -1.236 7.850 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.432 -2.441 6.734 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.568 -2.973 8.196 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.694 -0.895 7.972 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.967 -2.619 8.322 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.790 -1.850 6.944 1.00 0.00 H new ATOM 1241 N ILE A 89 0.422 -2.025 3.002 1.00 0.00 N ATOM 1242 CA ILE A 89 1.048 -1.187 1.987 1.00 0.00 C ATOM 1243 C ILE A 89 1.376 0.195 2.542 1.00 0.00 C ATOM 1244 O ILE A 89 0.480 0.986 2.837 1.00 0.00 O ATOM 1245 CB ILE A 89 0.143 -1.030 0.751 1.00 0.00 C ATOM 1246 CG1 ILE A 89 -0.222 -2.402 0.181 1.00 0.00 C ATOM 1247 CG2 ILE A 89 0.832 -0.178 -0.305 1.00 0.00 C ATOM 1248 CD1 ILE A 89 -1.345 -2.357 -0.831 1.00 0.00 C ATOM 0 H ILE A 89 -0.537 -1.764 3.232 1.00 0.00 H new ATOM 0 HA ILE A 89 1.971 -1.685 1.691 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.776 -0.527 1.053 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.660 -2.838 -0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.508 -3.062 1.000 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.180 -0.076 -1.173 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.046 0.809 0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.764 -0.655 -0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.550 -3.365 -1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.241 -1.950 -0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.055 -1.723 -1.669 1.00 0.00 H new ATOM 1260 N SER A 90 2.667 0.480 2.679 1.00 0.00 N ATOM 1261 CA SER A 90 3.115 1.766 3.200 1.00 0.00 C ATOM 1262 C SER A 90 3.698 2.630 2.086 1.00 0.00 C ATOM 1263 O SER A 90 4.503 2.164 1.280 1.00 0.00 O ATOM 1264 CB SER A 90 4.158 1.560 4.300 1.00 0.00 C ATOM 1265 OG SER A 90 4.172 2.653 5.201 1.00 0.00 O ATOM 0 H SER A 90 3.421 -0.162 2.436 1.00 0.00 H new ATOM 0 HA SER A 90 2.251 2.280 3.621 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.941 0.640 4.843 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.145 1.441 3.852 1.00 0.00 H new ATOM 0 HG SER A 90 4.846 2.496 5.895 1.00 0.00 H new ATOM 1271 N VAL A 91 3.286 3.893 2.047 1.00 0.00 N ATOM 1272 CA VAL A 91 3.767 4.824 1.034 1.00 0.00 C ATOM 1273 C VAL A 91 4.199 6.144 1.661 1.00 0.00 C ATOM 1274 O VAL A 91 3.548 6.654 2.573 1.00 0.00 O ATOM 1275 CB VAL A 91 2.688 5.103 -0.030 1.00 0.00 C ATOM 1276 CG1 VAL A 91 3.221 6.047 -1.097 1.00 0.00 C ATOM 1277 CG2 VAL A 91 2.205 3.801 -0.652 1.00 0.00 C ATOM 0 H VAL A 91 2.619 4.295 2.706 1.00 0.00 H new ATOM 0 HA VAL A 91 4.626 4.354 0.555 1.00 0.00 H new ATOM 0 HB VAL A 91 1.839 5.585 0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.445 6.232 -1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.514 6.990 -0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.087 5.596 -1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.443 4.016 -1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.044 3.290 -1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.781 3.163 0.123 1.00 0.00 H new ATOM 1287 N LYS A 92 5.303 6.695 1.167 1.00 0.00 N ATOM 1288 CA LYS A 92 5.823 7.958 1.676 1.00 0.00 C ATOM 1289 C LYS A 92 6.293 8.853 0.535 1.00 0.00 C ATOM 1290 O LYS A 92 6.849 8.374 -0.455 1.00 0.00 O ATOM 1291 CB LYS A 92 6.979 7.702 2.647 1.00 0.00 C ATOM 1292 CG LYS A 92 6.582 6.884 3.864 1.00 0.00 C ATOM 1293 CD LYS A 92 7.760 6.666 4.797 1.00 0.00 C ATOM 1294 CE LYS A 92 8.677 5.563 4.290 1.00 0.00 C ATOM 1295 NZ LYS A 92 10.077 5.743 4.765 1.00 0.00 N ATOM 0 H LYS A 92 5.855 6.286 0.414 1.00 0.00 H new ATOM 0 HA LYS A 92 5.017 8.467 2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.779 7.185 2.118 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.382 8.659 2.979 1.00 0.00 H new ATOM 0 HG2 LYS A 92 5.781 7.393 4.400 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.188 5.920 3.543 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.324 7.593 4.895 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.395 6.409 5.791 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.301 4.596 4.625 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.662 5.551 3.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.670 4.971 4.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.445 6.654 4.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.095 5.729 5.805 1.00 0.00 H new ATOM 1309 N TYR A 93 6.068 10.154 0.678 1.00 0.00 N ATOM 1310 CA TYR A 93 6.468 11.117 -0.342 1.00 0.00 C ATOM 1311 C TYR A 93 7.054 12.373 0.295 1.00 0.00 C ATOM 1312 O TYR A 93 6.334 13.181 0.879 1.00 0.00 O ATOM 1313 CB TYR A 93 5.271 11.487 -1.220 1.00 0.00 C ATOM 1314 CG TYR A 93 5.565 12.593 -2.208 1.00 0.00 C ATOM 1315 CD1 TYR A 93 6.278 12.339 -3.373 1.00 0.00 C ATOM 1316 CD2 TYR A 93 5.129 13.892 -1.976 1.00 0.00 C ATOM 1317 CE1 TYR A 93 6.550 13.347 -4.278 1.00 0.00 C ATOM 1318 CE2 TYR A 93 5.395 14.906 -2.877 1.00 0.00 C ATOM 1319 CZ TYR A 93 6.105 14.628 -4.026 1.00 0.00 C ATOM 1320 OH TYR A 93 6.373 15.635 -4.925 1.00 0.00 O ATOM 0 H TYR A 93 5.610 10.567 1.491 1.00 0.00 H new ATOM 0 HA TYR A 93 7.236 10.654 -0.962 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.943 10.602 -1.765 1.00 0.00 H new ATOM 0 HB3 TYR A 93 4.443 11.793 -0.581 1.00 0.00 H new ATOM 0 HD1 TYR A 93 6.626 11.337 -3.575 1.00 0.00 H new ATOM 0 HD2 TYR A 93 4.573 14.113 -1.077 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.108 13.133 -5.178 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.049 15.910 -2.682 1.00 0.00 H new ATOM 0 HH TYR A 93 5.690 16.334 -4.847 1.00 0.00 H new ATOM 1330 N GLY A 94 8.369 12.530 0.175 1.00 0.00 N ATOM 1331 CA GLY A 94 9.032 13.690 0.743 1.00 0.00 C ATOM 1332 C GLY A 94 9.100 13.636 2.256 1.00 0.00 C ATOM 1333 O GLY A 94 8.378 14.359 2.942 1.00 0.00 O ATOM 0 H GLY A 94 8.987 11.875 -0.305 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.042 13.761 0.339 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.503 14.593 0.438 1.00 0.00 H new ATOM 1337 N GLY A 95 9.969 12.776 2.778 1.00 0.00 N ATOM 1338 CA GLY A 95 10.111 12.646 4.216 1.00 0.00 C ATOM 1339 C GLY A 95 9.464 11.383 4.751 1.00 0.00 C ATOM 1340 O GLY A 95 8.797 10.647 4.024 1.00 0.00 O ATOM 0 H GLY A 95 10.577 12.167 2.231 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.170 12.646 4.475 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.664 13.513 4.702 1.00 0.00 H new ATOM 1344 N PRO A 96 9.662 11.117 6.050 1.00 0.00 N ATOM 1345 CA PRO A 96 9.102 9.934 6.710 1.00 0.00 C ATOM 1346 C PRO A 96 7.586 10.014 6.856 1.00 0.00 C ATOM 1347 O PRO A 96 6.945 9.064 7.303 1.00 0.00 O ATOM 1348 CB PRO A 96 9.773 9.944 8.086 1.00 0.00 C ATOM 1349 CG PRO A 96 10.124 11.371 8.326 1.00 0.00 C ATOM 1350 CD PRO A 96 10.447 11.951 6.976 1.00 0.00 C ATOM 0 HA PRO A 96 9.284 9.024 6.138 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.101 9.567 8.857 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.660 9.311 8.098 1.00 0.00 H new ATOM 0 HG2 PRO A 96 9.295 11.904 8.791 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.976 11.455 9.001 1.00 0.00 H new ATOM 0 HD2 PRO A 96 10.162 13.001 6.911 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.514 11.896 6.760 1.00 0.00 H new ATOM 1358 N ASN A 97 7.020 11.155 6.477 1.00 0.00 N ATOM 1359 CA ASN A 97 5.578 11.359 6.566 1.00 0.00 C ATOM 1360 C ASN A 97 4.841 10.479 5.562 1.00 0.00 C ATOM 1361 O ASN A 97 5.265 10.337 4.414 1.00 0.00 O ATOM 1362 CB ASN A 97 5.234 12.830 6.321 1.00 0.00 C ATOM 1363 CG ASN A 97 6.148 13.474 5.297 1.00 0.00 C ATOM 1364 OD1 ASN A 97 6.753 14.515 5.555 1.00 0.00 O ATOM 1365 ND2 ASN A 97 6.251 12.857 4.125 1.00 0.00 N ATOM 0 H ASN A 97 7.537 11.952 6.106 1.00 0.00 H new ATOM 0 HA ASN A 97 5.258 11.080 7.570 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.201 12.907 5.982 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.303 13.378 7.261 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.850 13.244 3.396 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.731 11.996 3.954 1.00 0.00 H new ATOM 1372 N HIS A 98 3.733 9.890 6.001 1.00 0.00 N ATOM 1373 CA HIS A 98 2.935 9.024 5.140 1.00 0.00 C ATOM 1374 C HIS A 98 1.852 9.822 4.421 1.00 0.00 C ATOM 1375 O HIS A 98 1.605 10.983 4.746 1.00 0.00 O ATOM 1376 CB HIS A 98 2.298 7.901 5.960 1.00 0.00 C ATOM 1377 CG HIS A 98 1.402 8.393 7.054 1.00 0.00 C ATOM 1378 ND1 HIS A 98 0.264 9.135 6.818 1.00 0.00 N ATOM 1379 CD2 HIS A 98 1.481 8.244 8.397 1.00 0.00 C ATOM 1380 CE1 HIS A 98 -0.318 9.422 7.969 1.00 0.00 C ATOM 1381 NE2 HIS A 98 0.400 8.893 8.943 1.00 0.00 N ATOM 0 H HIS A 98 3.368 9.997 6.947 1.00 0.00 H new ATOM 0 HA HIS A 98 3.597 8.587 4.392 1.00 0.00 H new ATOM 0 HB2 HIS A 98 1.724 7.256 5.294 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.087 7.288 6.396 1.00 0.00 H new ATOM 0 HD2 HIS A 98 2.250 7.714 8.939 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -1.227 9.992 8.092 1.00 0.00 H new ATOM 0 HE2 HIS A 98 0.187 8.956 9.938 1.00 0.00 H new ATOM 1389 N ILE A 99 1.211 9.192 3.443 1.00 0.00 N ATOM 1390 CA ILE A 99 0.154 9.843 2.678 1.00 0.00 C ATOM 1391 C ILE A 99 -1.217 9.553 3.278 1.00 0.00 C ATOM 1392 O ILE A 99 -1.351 8.721 4.175 1.00 0.00 O ATOM 1393 CB ILE A 99 0.164 9.392 1.206 1.00 0.00 C ATOM 1394 CG1 ILE A 99 -0.142 7.896 1.106 1.00 0.00 C ATOM 1395 CG2 ILE A 99 1.508 9.707 0.565 1.00 0.00 C ATOM 1396 CD1 ILE A 99 -0.785 7.498 -0.204 1.00 0.00 C ATOM 0 H ILE A 99 1.405 8.231 3.161 1.00 0.00 H new ATOM 0 HA ILE A 99 0.348 10.915 2.722 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.611 9.939 0.668 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.784 7.335 1.233 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -0.801 7.612 1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.500 9.382 -0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 99 1.689 10.781 0.609 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.299 9.184 1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.974 6.424 -0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.727 8.032 -0.324 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.118 7.750 -1.028 1.00 0.00 H new ATOM 1408 N VAL A 100 -2.236 10.243 2.774 1.00 0.00 N ATOM 1409 CA VAL A 100 -3.599 10.058 3.258 1.00 0.00 C ATOM 1410 C VAL A 100 -4.082 8.634 3.005 1.00 0.00 C ATOM 1411 O VAL A 100 -3.875 8.079 1.927 1.00 0.00 O ATOM 1412 CB VAL A 100 -4.572 11.045 2.587 1.00 0.00 C ATOM 1413 CG1 VAL A 100 -6.013 10.636 2.848 1.00 0.00 C ATOM 1414 CG2 VAL A 100 -4.314 12.462 3.077 1.00 0.00 C ATOM 0 H VAL A 100 -2.143 10.935 2.031 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.583 10.249 4.331 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.403 11.020 1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.686 11.345 2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.187 9.639 2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -6.201 10.630 3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.010 13.147 2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.455 12.505 4.157 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -3.292 12.751 2.833 1.00 0.00 H new ATOM 1424 N GLY A 101 -4.730 8.048 4.008 1.00 0.00 N ATOM 1425 CA GLY A 101 -5.234 6.693 3.874 1.00 0.00 C ATOM 1426 C GLY A 101 -4.230 5.654 4.333 1.00 0.00 C ATOM 1427 O GLY A 101 -4.589 4.691 5.010 1.00 0.00 O ATOM 0 H GLY A 101 -4.915 8.487 4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.150 6.590 4.455 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.495 6.507 2.832 1.00 0.00 H new ATOM 1431 N SER A 102 -2.969 5.847 3.961 1.00 0.00 N ATOM 1432 CA SER A 102 -1.911 4.915 4.334 1.00 0.00 C ATOM 1433 C SER A 102 -1.615 4.999 5.828 1.00 0.00 C ATOM 1434 O SER A 102 -1.778 6.041 6.462 1.00 0.00 O ATOM 1435 CB SER A 102 -0.640 5.206 3.533 1.00 0.00 C ATOM 1436 OG SER A 102 0.514 4.771 4.232 1.00 0.00 O ATOM 0 H SER A 102 -2.655 6.640 3.402 1.00 0.00 H new ATOM 0 HA SER A 102 -2.253 3.905 4.105 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.693 4.706 2.566 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.568 6.275 3.335 1.00 0.00 H new ATOM 0 HG SER A 102 1.303 5.232 3.879 1.00 0.00 H new ATOM 1442 N PRO A 103 -1.168 3.874 6.406 1.00 0.00 N ATOM 1443 CA PRO A 103 -0.970 2.626 5.661 1.00 0.00 C ATOM 1444 C PRO A 103 -2.289 1.996 5.226 1.00 0.00 C ATOM 1445 O PRO A 103 -3.364 2.451 5.614 1.00 0.00 O ATOM 1446 CB PRO A 103 -0.252 1.723 6.667 1.00 0.00 C ATOM 1447 CG PRO A 103 -0.654 2.248 8.002 1.00 0.00 C ATOM 1448 CD PRO A 103 -0.822 3.732 7.830 1.00 0.00 C ATOM 0 HA PRO A 103 -0.413 2.786 4.738 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -0.549 0.681 6.546 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.829 1.764 6.535 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.582 1.787 8.339 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.104 2.026 8.753 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -1.608 4.125 8.475 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.093 4.271 8.077 1.00 0.00 H new ATOM 1456 N PHE A 104 -2.198 0.945 4.418 1.00 0.00 N ATOM 1457 CA PHE A 104 -3.384 0.251 3.930 1.00 0.00 C ATOM 1458 C PHE A 104 -3.424 -1.186 4.441 1.00 0.00 C ATOM 1459 O PHE A 104 -2.479 -1.951 4.251 1.00 0.00 O ATOM 1460 CB PHE A 104 -3.413 0.261 2.400 1.00 0.00 C ATOM 1461 CG PHE A 104 -3.365 1.641 1.808 1.00 0.00 C ATOM 1462 CD1 PHE A 104 -4.533 2.353 1.583 1.00 0.00 C ATOM 1463 CD2 PHE A 104 -2.154 2.226 1.477 1.00 0.00 C ATOM 1464 CE1 PHE A 104 -4.492 3.622 1.038 1.00 0.00 C ATOM 1465 CE2 PHE A 104 -2.107 3.495 0.932 1.00 0.00 C ATOM 1466 CZ PHE A 104 -3.277 4.194 0.713 1.00 0.00 C ATOM 0 H PHE A 104 -1.315 0.555 4.087 1.00 0.00 H new ATOM 0 HA PHE A 104 -4.262 0.776 4.307 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.568 -0.316 2.025 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.318 -0.241 2.059 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.485 1.911 1.836 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.235 1.684 1.647 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.409 4.166 0.866 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.156 3.939 0.678 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.243 5.186 0.288 1.00 0.00 H new ATOM 1476 N LYS A 105 -4.525 -1.545 5.093 1.00 0.00 N ATOM 1477 CA LYS A 105 -4.691 -2.889 5.632 1.00 0.00 C ATOM 1478 C LYS A 105 -5.626 -3.716 4.756 1.00 0.00 C ATOM 1479 O LYS A 105 -6.839 -3.727 4.965 1.00 0.00 O ATOM 1480 CB LYS A 105 -5.237 -2.824 7.060 1.00 0.00 C ATOM 1481 CG LYS A 105 -4.307 -2.125 8.036 1.00 0.00 C ATOM 1482 CD LYS A 105 -5.050 -1.657 9.277 1.00 0.00 C ATOM 1483 CE LYS A 105 -5.326 -2.810 10.229 1.00 0.00 C ATOM 1484 NZ LYS A 105 -5.933 -2.342 11.506 1.00 0.00 N ATOM 0 H LYS A 105 -5.316 -0.923 5.261 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.714 -3.371 5.645 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.196 -2.305 7.050 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.426 -3.837 7.414 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -3.505 -2.804 8.325 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.840 -1.270 7.546 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -4.462 -0.894 9.788 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.991 -1.192 8.985 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.995 -3.525 9.749 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -4.396 -3.337 10.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -6.106 -3.158 12.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.284 -1.679 11.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.834 -1.862 11.307 1.00 0.00 H new ATOM 1498 N ALA A 106 -5.055 -4.407 3.776 1.00 0.00 N ATOM 1499 CA ALA A 106 -5.837 -5.239 2.871 1.00 0.00 C ATOM 1500 C ALA A 106 -5.760 -6.709 3.270 1.00 0.00 C ATOM 1501 O ALA A 106 -4.693 -7.212 3.625 1.00 0.00 O ATOM 1502 CB ALA A 106 -5.360 -5.054 1.438 1.00 0.00 C ATOM 0 H ALA A 106 -4.052 -4.407 3.588 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.879 -4.925 2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -5.953 -5.682 0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.474 -4.009 1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.310 -5.338 1.364 1.00 0.00 H new ATOM 1508 N LYS A 107 -6.897 -7.394 3.212 1.00 0.00 N ATOM 1509 CA LYS A 107 -6.959 -8.807 3.567 1.00 0.00 C ATOM 1510 C LYS A 107 -7.006 -9.680 2.317 1.00 0.00 C ATOM 1511 O LYS A 107 -7.835 -9.470 1.432 1.00 0.00 O ATOM 1512 CB LYS A 107 -8.185 -9.081 4.441 1.00 0.00 C ATOM 1513 CG LYS A 107 -8.194 -10.469 5.058 1.00 0.00 C ATOM 1514 CD LYS A 107 -9.463 -10.716 5.856 1.00 0.00 C ATOM 1515 CE LYS A 107 -10.655 -10.967 4.944 1.00 0.00 C ATOM 1516 NZ LYS A 107 -10.579 -12.302 4.287 1.00 0.00 N ATOM 0 H LYS A 107 -7.789 -6.993 2.922 1.00 0.00 H new ATOM 0 HA LYS A 107 -6.058 -9.055 4.128 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -8.226 -8.338 5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -9.085 -8.954 3.840 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.106 -11.218 4.271 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.326 -10.585 5.707 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.320 -11.574 6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.666 -9.856 6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.576 -10.899 5.523 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.699 -10.189 4.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -11.502 -12.536 3.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -9.856 -12.280 3.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.325 -13.022 4.993 1.00 0.00 H new ATOM 1530 N VAL A 108 -6.113 -10.662 2.253 1.00 0.00 N ATOM 1531 CA VAL A 108 -6.055 -11.570 1.113 1.00 0.00 C ATOM 1532 C VAL A 108 -6.850 -12.842 1.382 1.00 0.00 C ATOM 1533 O VAL A 108 -6.854 -13.361 2.499 1.00 0.00 O ATOM 1534 CB VAL A 108 -4.602 -11.948 0.770 1.00 0.00 C ATOM 1535 CG1 VAL A 108 -4.551 -12.764 -0.512 1.00 0.00 C ATOM 1536 CG2 VAL A 108 -3.740 -10.700 0.652 1.00 0.00 C ATOM 0 H VAL A 108 -5.419 -10.849 2.977 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.495 -11.043 0.266 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.204 -12.561 1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.516 -13.022 -0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.133 -13.677 -0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.967 -12.179 -1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.717 -10.986 0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.134 -10.059 -0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.751 -10.160 1.599 1.00 0.00 H new ATOM 1546 N THR A 109 -7.524 -13.342 0.351 1.00 0.00 N ATOM 1547 CA THR A 109 -8.324 -14.554 0.476 1.00 0.00 C ATOM 1548 C THR A 109 -7.587 -15.760 -0.094 1.00 0.00 C ATOM 1549 O THR A 109 -6.479 -15.635 -0.613 1.00 0.00 O ATOM 1550 CB THR A 109 -9.680 -14.408 -0.241 1.00 0.00 C ATOM 1551 OG1 THR A 109 -9.482 -13.892 -1.562 1.00 0.00 O ATOM 1552 CG2 THR A 109 -10.607 -13.487 0.536 1.00 0.00 C ATOM 0 H THR A 109 -7.532 -12.926 -0.580 1.00 0.00 H new ATOM 0 HA THR A 109 -8.499 -14.709 1.541 1.00 0.00 H new ATOM 0 HB THR A 109 -10.142 -15.393 -0.302 1.00 0.00 H new ATOM 0 HG1 THR A 109 -10.348 -13.804 -2.012 1.00 0.00 H new ATOM 0 HG21 THR A 109 -11.558 -13.400 0.010 1.00 0.00 H new ATOM 0 HG22 THR A 109 -10.779 -13.899 1.531 1.00 0.00 H new ATOM 0 HG23 THR A 109 -10.150 -12.502 0.625 1.00 0.00 H new ATOM 1560 N GLY A 110 -8.211 -16.930 0.005 1.00 0.00 N ATOM 1561 CA GLY A 110 -7.599 -18.143 -0.506 1.00 0.00 C ATOM 1562 C GLY A 110 -6.843 -18.906 0.563 1.00 0.00 C ATOM 1563 O GLY A 110 -6.802 -18.488 1.720 1.00 0.00 O ATOM 0 H GLY A 110 -9.129 -17.059 0.430 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.371 -18.785 -0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -6.917 -17.888 -1.317 1.00 0.00 H new ATOM 1567 N GLN A 111 -6.244 -20.027 0.176 1.00 0.00 N ATOM 1568 CA GLN A 111 -5.487 -20.851 1.112 1.00 0.00 C ATOM 1569 C GLN A 111 -4.039 -21.000 0.658 1.00 0.00 C ATOM 1570 O GLN A 111 -3.110 -20.676 1.397 1.00 0.00 O ATOM 1571 CB GLN A 111 -6.136 -22.229 1.250 1.00 0.00 C ATOM 1572 CG GLN A 111 -6.317 -22.952 -0.075 1.00 0.00 C ATOM 1573 CD GLN A 111 -7.508 -23.890 -0.070 1.00 0.00 C ATOM 1574 OE1 GLN A 111 -8.046 -24.224 0.986 1.00 0.00 O ATOM 1575 NE2 GLN A 111 -7.926 -24.322 -1.254 1.00 0.00 N ATOM 0 H GLN A 111 -6.268 -20.386 -0.778 1.00 0.00 H new ATOM 0 HA GLN A 111 -5.494 -20.355 2.083 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -5.525 -22.845 1.910 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -7.109 -22.117 1.729 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -6.441 -22.218 -0.871 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -5.414 -23.519 -0.302 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -7.450 -24.020 -2.104 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -8.723 -24.956 -1.313 1.00 0.00 H new ATOM 1584 N ARG A 112 -3.855 -21.493 -0.563 1.00 0.00 N ATOM 1585 CA ARG A 112 -2.520 -21.687 -1.115 1.00 0.00 C ATOM 1586 C ARG A 112 -2.592 -22.098 -2.583 1.00 0.00 C ATOM 1587 O ARG A 112 -3.203 -23.111 -2.925 1.00 0.00 O ATOM 1588 CB ARG A 112 -1.763 -22.749 -0.314 1.00 0.00 C ATOM 1589 CG ARG A 112 -0.326 -22.945 -0.769 1.00 0.00 C ATOM 1590 CD ARG A 112 0.573 -21.821 -0.277 1.00 0.00 C ATOM 1591 NE ARG A 112 0.843 -21.923 1.154 1.00 0.00 N ATOM 1592 CZ ARG A 112 1.892 -21.363 1.746 1.00 0.00 C ATOM 1593 NH1 ARG A 112 2.766 -20.666 1.032 1.00 0.00 N ATOM 1594 NH2 ARG A 112 2.070 -21.500 3.054 1.00 0.00 N ATOM 0 H ARG A 112 -4.614 -21.765 -1.188 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.985 -20.740 -1.047 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.767 -22.469 0.739 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -2.293 -23.698 -0.393 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.047 -23.900 -0.398 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.291 -22.990 -1.857 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.514 -21.843 -0.826 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.102 -20.861 -0.490 1.00 0.00 H new ATOM 0 HE ARG A 112 0.190 -22.453 1.731 1.00 0.00 H new ATOM 0 HH11 ARG A 112 2.633 -20.559 0.026 1.00 0.00 H new ATOM 0 HH12 ARG A 112 3.571 -20.237 1.489 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.401 -22.036 3.606 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.876 -21.069 3.507 1.00 0.00 H new ATOM 1608 N LEU A 113 -1.966 -21.305 -3.445 1.00 0.00 N ATOM 1609 CA LEU A 113 -1.960 -21.585 -4.877 1.00 0.00 C ATOM 1610 C LEU A 113 -1.350 -22.954 -5.161 1.00 0.00 C ATOM 1611 O LEU A 113 -0.440 -23.398 -4.461 1.00 0.00 O ATOM 1612 CB LEU A 113 -1.181 -20.502 -5.625 1.00 0.00 C ATOM 1613 CG LEU A 113 -1.929 -19.193 -5.881 1.00 0.00 C ATOM 1614 CD1 LEU A 113 -0.953 -18.080 -6.229 1.00 0.00 C ATOM 1615 CD2 LEU A 113 -2.953 -19.373 -6.992 1.00 0.00 C ATOM 0 H LEU A 113 -1.456 -20.463 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 113 -2.993 -21.588 -5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.277 -20.276 -5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -0.863 -20.909 -6.585 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.457 -18.914 -4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.503 -17.156 -6.408 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.258 -17.934 -5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -0.397 -18.351 -7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -3.476 -18.432 -7.161 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.446 -19.676 -7.908 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.671 -20.140 -6.704 1.00 0.00 H new