USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 454 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 23 ASN : amide:sc= -4.28! C(o=-4.5!,f=-14!) USER MOD Set 1.2: A 73 ASN :FLIP amide:sc= -0.234 F(o=-7.5,f=-4.5) USER MOD Set 2.1: A 28 ASN : amide:sc= -2.8! C(o=-2.7!,f=-9.5!) USER MOD Set 2.2: A 30 SER OG : rot -170:sc= 0.148 USER MOD Single : A 19 THR OG1 : rot -30:sc= 0.0131! USER MOD Single : A 21 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000457) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 32 GLN : amide:sc= -1.04 X(o=-1,f=-0.67) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.699 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 130:sc= -1.82! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.574 USER MOD Single : A 45 SER OG : rot 180:sc= 0.0337 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -2.18 X(o=-2.2,f=-2) USER MOD Single : A 61 TYR OH : rot -45:sc= -1.52! USER MOD Single : A 62 THR OG1 : rot 180:sc=-0.00176 USER MOD Single : A 68 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0216) USER MOD Single : A 70 TYR OH : rot 66:sc= -2.63! USER MOD Single : A 71 THR OG1 : rot -170:sc= -0.138 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 252 N VAL A 18 -21.650 -4.959 -1.255 1.00 0.00 N ATOM 253 CA VAL A 18 -20.958 -4.021 -2.172 1.00 0.00 C ATOM 254 C VAL A 18 -19.506 -4.467 -2.326 1.00 0.00 C ATOM 255 O VAL A 18 -19.057 -5.380 -1.663 1.00 0.00 O ATOM 256 CB VAL A 18 -20.990 -2.606 -1.593 1.00 0.00 C ATOM 257 CG1 VAL A 18 -22.226 -1.868 -2.113 1.00 0.00 C ATOM 258 CG2 VAL A 18 -21.029 -2.659 -0.059 1.00 0.00 C ATOM 0 HA VAL A 18 -21.459 -4.022 -3.140 1.00 0.00 H new ATOM 0 HB VAL A 18 -20.090 -2.076 -1.904 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -22.248 -0.860 -1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -22.186 -1.814 -3.201 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -23.125 -2.404 -1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -21.051 -1.645 0.340 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -21.921 -3.196 0.264 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -20.142 -3.174 0.310 1.00 0.00 H new ATOM 268 N THR A 19 -18.763 -3.838 -3.192 1.00 0.00 N ATOM 269 CA THR A 19 -17.346 -4.250 -3.365 1.00 0.00 C ATOM 270 C THR A 19 -16.524 -3.089 -3.921 1.00 0.00 C ATOM 271 O THR A 19 -16.592 -2.763 -5.090 1.00 0.00 O ATOM 272 CB THR A 19 -17.279 -5.435 -4.325 1.00 0.00 C ATOM 273 OG1 THR A 19 -18.257 -6.396 -3.951 1.00 0.00 O ATOM 274 CG2 THR A 19 -15.888 -6.068 -4.269 1.00 0.00 C ATOM 0 H THR A 19 -19.072 -3.065 -3.781 1.00 0.00 H new ATOM 0 HA THR A 19 -16.936 -4.538 -2.397 1.00 0.00 H new ATOM 0 HB THR A 19 -17.473 -5.092 -5.341 1.00 0.00 H new ATOM 0 HG1 THR A 19 -18.397 -6.360 -2.982 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.845 -6.913 -4.956 1.00 0.00 H new ATOM 0 HG22 THR A 19 -15.140 -5.329 -4.556 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.686 -6.414 -3.255 1.00 0.00 H new ATOM 282 N ILE A 20 -15.742 -2.468 -3.086 1.00 0.00 N ATOM 283 CA ILE A 20 -14.901 -1.333 -3.543 1.00 0.00 C ATOM 284 C ILE A 20 -13.611 -1.887 -4.148 1.00 0.00 C ATOM 285 O ILE A 20 -13.128 -2.931 -3.754 1.00 0.00 O ATOM 286 CB ILE A 20 -14.580 -0.443 -2.343 1.00 0.00 C ATOM 287 CG1 ILE A 20 -13.820 0.800 -2.803 1.00 0.00 C ATOM 288 CG2 ILE A 20 -13.716 -1.218 -1.353 1.00 0.00 C ATOM 289 CD1 ILE A 20 -14.551 2.044 -2.307 1.00 0.00 C ATOM 0 H ILE A 20 -15.650 -2.701 -2.097 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.427 -0.745 -4.295 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.512 -0.141 -1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.801 0.783 -2.415 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.747 0.815 -3.890 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -13.486 -0.584 -0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.255 -2.103 -1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -12.789 -1.521 -1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -14.014 2.935 -2.632 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.561 2.060 -2.716 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -14.601 2.027 -1.218 1.00 0.00 H new ATOM 301 N LYS A 21 -13.050 -1.209 -5.108 1.00 0.00 N ATOM 302 CA LYS A 21 -11.800 -1.718 -5.733 1.00 0.00 C ATOM 303 C LYS A 21 -10.684 -0.684 -5.596 1.00 0.00 C ATOM 304 O LYS A 21 -10.922 0.491 -5.414 1.00 0.00 O ATOM 305 CB LYS A 21 -12.046 -2.004 -7.218 1.00 0.00 C ATOM 306 CG LYS A 21 -11.288 -3.271 -7.621 1.00 0.00 C ATOM 307 CD LYS A 21 -11.317 -3.423 -9.144 1.00 0.00 C ATOM 308 CE LYS A 21 -11.933 -4.777 -9.508 1.00 0.00 C ATOM 309 NZ LYS A 21 -10.969 -5.868 -9.182 1.00 0.00 N ATOM 0 H LYS A 21 -13.401 -0.329 -5.485 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.502 -2.636 -5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.113 -2.130 -7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.714 -1.160 -7.823 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.257 -3.218 -7.270 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.741 -4.143 -7.149 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.897 -2.615 -9.590 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.307 -3.350 -9.547 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.863 -4.924 -8.960 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.181 -4.802 -10.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.381 -6.786 -9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.086 -5.721 -9.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.767 -5.859 -8.162 1.00 0.00 H new ATOM 323 N ALA A 22 -9.466 -1.129 -5.689 1.00 0.00 N ATOM 324 CA ALA A 22 -8.307 -0.204 -5.580 1.00 0.00 C ATOM 325 C ALA A 22 -7.128 -0.852 -6.298 1.00 0.00 C ATOM 326 O ALA A 22 -7.248 -1.939 -6.824 1.00 0.00 O ATOM 327 CB ALA A 22 -7.965 0.018 -4.105 1.00 0.00 C ATOM 0 H ALA A 22 -9.220 -2.108 -5.838 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.539 0.762 -6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.115 0.696 -4.027 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.824 0.452 -3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.712 -0.936 -3.643 1.00 0.00 H new ATOM 333 N ASN A 23 -5.993 -0.214 -6.342 1.00 0.00 N ATOM 334 CA ASN A 23 -4.847 -0.848 -7.043 1.00 0.00 C ATOM 335 C ASN A 23 -3.516 -0.387 -6.440 1.00 0.00 C ATOM 336 O ASN A 23 -3.439 0.621 -5.767 1.00 0.00 O ATOM 337 CB ASN A 23 -4.891 -0.483 -8.525 1.00 0.00 C ATOM 338 CG ASN A 23 -5.475 -1.639 -9.337 1.00 0.00 C ATOM 339 OD1 ASN A 23 -5.371 -2.785 -8.952 1.00 0.00 O ATOM 340 ND2 ASN A 23 -6.091 -1.379 -10.457 1.00 0.00 N ATOM 0 H ASN A 23 -5.812 0.702 -5.931 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.923 -1.929 -6.925 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.495 0.413 -8.668 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.887 -0.251 -8.880 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.486 -2.139 -11.010 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.178 -0.415 -10.780 1.00 0.00 H new ATOM 347 N LEU A 24 -2.466 -1.124 -6.688 1.00 0.00 N ATOM 348 CA LEU A 24 -1.128 -0.744 -6.151 1.00 0.00 C ATOM 349 C LEU A 24 -0.148 -0.636 -7.324 1.00 0.00 C ATOM 350 O LEU A 24 0.675 -1.501 -7.542 1.00 0.00 O ATOM 351 CB LEU A 24 -0.649 -1.811 -5.165 1.00 0.00 C ATOM 352 CG LEU A 24 -1.696 -1.992 -4.064 1.00 0.00 C ATOM 353 CD1 LEU A 24 -1.089 -2.805 -2.925 1.00 0.00 C ATOM 354 CD2 LEU A 24 -2.132 -0.625 -3.528 1.00 0.00 C ATOM 0 H LEU A 24 -2.479 -1.979 -7.244 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.188 0.211 -5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.485 -2.755 -5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.306 -1.517 -4.729 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.562 -2.511 -4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.830 -2.937 -2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.779 -3.781 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.223 -2.279 -2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.877 -0.762 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.268 -0.102 -3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.562 -0.037 -4.339 1.00 0.00 H new ATOM 366 N ILE A 25 -0.248 0.416 -8.090 1.00 0.00 N ATOM 367 CA ILE A 25 0.649 0.582 -9.270 1.00 0.00 C ATOM 368 C ILE A 25 2.031 1.052 -8.831 1.00 0.00 C ATOM 369 O ILE A 25 2.190 2.135 -8.304 1.00 0.00 O ATOM 370 CB ILE A 25 0.046 1.627 -10.201 1.00 0.00 C ATOM 371 CG1 ILE A 25 -1.404 1.222 -10.521 1.00 0.00 C ATOM 372 CG2 ILE A 25 0.888 1.705 -11.481 1.00 0.00 C ATOM 373 CD1 ILE A 25 -1.824 1.748 -11.896 1.00 0.00 C ATOM 0 H ILE A 25 -0.917 1.173 -7.948 1.00 0.00 H new ATOM 0 HA ILE A 25 0.747 -0.377 -9.779 1.00 0.00 H new ATOM 0 HB ILE A 25 0.043 2.610 -9.729 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.497 0.136 -10.498 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.074 1.615 -9.756 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.462 2.451 -12.152 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.910 1.986 -11.228 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.891 0.733 -11.974 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.852 1.450 -12.101 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.753 2.836 -11.907 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.167 1.334 -12.660 1.00 0.00 H new ATOM 385 N PHE A 26 3.033 0.246 -9.053 1.00 0.00 N ATOM 386 CA PHE A 26 4.410 0.640 -8.655 1.00 0.00 C ATOM 387 C PHE A 26 5.184 1.157 -9.861 1.00 0.00 C ATOM 388 O PHE A 26 4.816 0.952 -11.001 1.00 0.00 O ATOM 389 CB PHE A 26 5.132 -0.557 -8.070 1.00 0.00 C ATOM 390 CG PHE A 26 4.469 -0.951 -6.770 1.00 0.00 C ATOM 391 CD1 PHE A 26 4.722 -0.215 -5.606 1.00 0.00 C ATOM 392 CD2 PHE A 26 3.594 -2.043 -6.727 1.00 0.00 C ATOM 393 CE1 PHE A 26 4.101 -0.573 -4.402 1.00 0.00 C ATOM 394 CE2 PHE A 26 2.973 -2.399 -5.526 1.00 0.00 C ATOM 395 CZ PHE A 26 3.226 -1.663 -4.364 1.00 0.00 C ATOM 0 H PHE A 26 2.955 -0.670 -9.494 1.00 0.00 H new ATOM 0 HA PHE A 26 4.346 1.432 -7.909 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.107 -1.391 -8.772 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.181 -0.316 -7.899 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.396 0.629 -5.636 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.398 -2.612 -7.624 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.298 -0.007 -3.503 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.298 -3.242 -5.496 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.745 -1.937 -3.437 1.00 0.00 H new ATOM 405 N ALA A 27 6.255 1.835 -9.597 1.00 0.00 N ATOM 406 CA ALA A 27 7.096 2.400 -10.691 1.00 0.00 C ATOM 407 C ALA A 27 8.066 1.343 -11.216 1.00 0.00 C ATOM 408 O ALA A 27 8.579 1.448 -12.313 1.00 0.00 O ATOM 409 CB ALA A 27 7.892 3.590 -10.153 1.00 0.00 C ATOM 0 H ALA A 27 6.595 2.029 -8.655 1.00 0.00 H new ATOM 0 HA ALA A 27 6.447 2.721 -11.505 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.508 4.006 -10.950 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.204 4.354 -9.790 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.532 3.260 -9.335 1.00 0.00 H new ATOM 415 N ASN A 28 8.346 0.340 -10.433 1.00 0.00 N ATOM 416 CA ASN A 28 9.309 -0.700 -10.877 1.00 0.00 C ATOM 417 C ASN A 28 8.731 -1.512 -12.045 1.00 0.00 C ATOM 418 O ASN A 28 9.393 -2.367 -12.598 1.00 0.00 O ATOM 419 CB ASN A 28 9.625 -1.616 -9.692 1.00 0.00 C ATOM 420 CG ASN A 28 8.543 -2.686 -9.542 1.00 0.00 C ATOM 421 OD1 ASN A 28 7.372 -2.373 -9.468 1.00 0.00 O ATOM 422 ND2 ASN A 28 8.889 -3.945 -9.502 1.00 0.00 N ATOM 0 H ASN A 28 7.949 0.197 -9.505 1.00 0.00 H new ATOM 0 HA ASN A 28 10.224 -0.222 -11.226 1.00 0.00 H new ATOM 0 HB2 ASN A 28 10.596 -2.089 -9.839 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.693 -1.027 -8.777 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.175 -4.667 -9.408 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.873 -4.206 -9.564 1.00 0.00 H new ATOM 429 N GLY A 29 7.511 -1.255 -12.429 1.00 0.00 N ATOM 430 CA GLY A 29 6.914 -2.018 -13.563 1.00 0.00 C ATOM 431 C GLY A 29 6.123 -3.208 -13.020 1.00 0.00 C ATOM 432 O GLY A 29 5.755 -4.108 -13.749 1.00 0.00 O ATOM 0 H GLY A 29 6.903 -0.552 -12.009 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.260 -1.370 -14.147 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.699 -2.366 -14.234 1.00 0.00 H new ATOM 436 N SER A 30 5.856 -3.217 -11.744 1.00 0.00 N ATOM 437 CA SER A 30 5.083 -4.345 -11.155 1.00 0.00 C ATOM 438 C SER A 30 3.771 -3.804 -10.604 1.00 0.00 C ATOM 439 O SER A 30 3.666 -3.480 -9.443 1.00 0.00 O ATOM 440 CB SER A 30 5.886 -4.982 -10.021 1.00 0.00 C ATOM 441 OG SER A 30 6.837 -5.885 -10.570 1.00 0.00 O ATOM 0 H SER A 30 6.139 -2.493 -11.084 1.00 0.00 H new ATOM 0 HA SER A 30 4.886 -5.097 -11.919 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.392 -4.211 -9.440 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.219 -5.509 -9.338 1.00 0.00 H new ATOM 0 HG SER A 30 7.243 -6.410 -9.849 1.00 0.00 H new ATOM 447 N THR A 31 2.772 -3.692 -11.426 1.00 0.00 N ATOM 448 CA THR A 31 1.475 -3.160 -10.936 1.00 0.00 C ATOM 449 C THR A 31 0.721 -4.264 -10.193 1.00 0.00 C ATOM 450 O THR A 31 0.707 -5.409 -10.602 1.00 0.00 O ATOM 451 CB THR A 31 0.639 -2.677 -12.122 1.00 0.00 C ATOM 452 OG1 THR A 31 1.007 -3.403 -13.286 1.00 0.00 O ATOM 453 CG2 THR A 31 0.890 -1.188 -12.346 1.00 0.00 C ATOM 0 H THR A 31 2.796 -3.945 -12.414 1.00 0.00 H new ATOM 0 HA THR A 31 1.657 -2.325 -10.259 1.00 0.00 H new ATOM 0 HB THR A 31 -0.419 -2.839 -11.914 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.471 -3.096 -14.046 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.295 -0.842 -13.191 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.607 -0.633 -11.452 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.947 -1.025 -12.556 1.00 0.00 H new ATOM 461 N GLN A 32 0.094 -3.924 -9.105 1.00 0.00 N ATOM 462 CA GLN A 32 -0.668 -4.932 -8.318 1.00 0.00 C ATOM 463 C GLN A 32 -2.101 -4.430 -8.144 1.00 0.00 C ATOM 464 O GLN A 32 -2.577 -3.619 -8.914 1.00 0.00 O ATOM 465 CB GLN A 32 -0.018 -5.103 -6.943 1.00 0.00 C ATOM 466 CG GLN A 32 0.065 -6.589 -6.594 1.00 0.00 C ATOM 467 CD GLN A 32 0.890 -7.316 -7.656 1.00 0.00 C ATOM 468 OE1 GLN A 32 2.102 -7.223 -7.669 1.00 0.00 O ATOM 469 NE2 GLN A 32 0.282 -8.039 -8.556 1.00 0.00 N ATOM 0 H GLN A 32 0.076 -2.979 -8.722 1.00 0.00 H new ATOM 0 HA GLN A 32 -0.667 -5.891 -8.837 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.979 -4.664 -6.944 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.598 -4.574 -6.187 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.521 -6.718 -5.612 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.936 -7.017 -6.539 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.735 -8.117 -8.545 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.824 -8.526 -9.270 1.00 0.00 H new ATOM 478 N THR A 33 -2.795 -4.892 -7.142 1.00 0.00 N ATOM 479 CA THR A 33 -4.188 -4.413 -6.947 1.00 0.00 C ATOM 480 C THR A 33 -4.563 -4.442 -5.460 1.00 0.00 C ATOM 481 O THR A 33 -3.868 -5.006 -4.638 1.00 0.00 O ATOM 482 CB THR A 33 -5.152 -5.302 -7.726 1.00 0.00 C ATOM 483 OG1 THR A 33 -6.412 -5.314 -7.070 1.00 0.00 O ATOM 484 CG2 THR A 33 -4.603 -6.726 -7.800 1.00 0.00 C ATOM 0 H THR A 33 -2.462 -5.572 -6.458 1.00 0.00 H new ATOM 0 HA THR A 33 -4.256 -3.388 -7.310 1.00 0.00 H new ATOM 0 HB THR A 33 -5.266 -4.911 -8.737 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.035 -5.883 -7.569 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.297 -7.355 -8.358 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.636 -6.718 -8.303 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.484 -7.123 -6.792 1.00 0.00 H new ATOM 492 N ALA A 34 -5.673 -3.843 -5.123 1.00 0.00 N ATOM 493 CA ALA A 34 -6.134 -3.825 -3.704 1.00 0.00 C ATOM 494 C ALA A 34 -7.646 -3.596 -3.691 1.00 0.00 C ATOM 495 O ALA A 34 -8.130 -2.584 -4.160 1.00 0.00 O ATOM 496 CB ALA A 34 -5.440 -2.690 -2.945 1.00 0.00 C ATOM 0 H ALA A 34 -6.288 -3.360 -5.778 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.890 -4.772 -3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.781 -2.683 -1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.361 -2.842 -2.970 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.683 -1.737 -3.414 1.00 0.00 H new ATOM 502 N GLU A 35 -8.403 -4.526 -3.177 1.00 0.00 N ATOM 503 CA GLU A 35 -9.880 -4.339 -3.168 1.00 0.00 C ATOM 504 C GLU A 35 -10.471 -4.783 -1.832 1.00 0.00 C ATOM 505 O GLU A 35 -9.965 -5.667 -1.169 1.00 0.00 O ATOM 506 CB GLU A 35 -10.510 -5.160 -4.296 1.00 0.00 C ATOM 507 CG GLU A 35 -9.880 -6.556 -4.340 1.00 0.00 C ATOM 508 CD GLU A 35 -10.679 -7.507 -3.446 1.00 0.00 C ATOM 509 OE1 GLU A 35 -11.663 -8.049 -3.923 1.00 0.00 O ATOM 510 OE2 GLU A 35 -10.291 -7.681 -2.302 1.00 0.00 O ATOM 0 H GLU A 35 -8.067 -5.398 -2.767 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.095 -3.281 -3.315 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.586 -5.242 -4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.363 -4.655 -5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.867 -6.928 -5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.844 -6.509 -4.005 1.00 0.00 H new ATOM 517 N PHE A 36 -11.552 -4.171 -1.448 1.00 0.00 N ATOM 518 CA PHE A 36 -12.223 -4.524 -0.176 1.00 0.00 C ATOM 519 C PHE A 36 -13.728 -4.521 -0.431 1.00 0.00 C ATOM 520 O PHE A 36 -14.201 -3.826 -1.300 1.00 0.00 O ATOM 521 CB PHE A 36 -11.894 -3.491 0.895 1.00 0.00 C ATOM 522 CG PHE A 36 -10.635 -2.720 0.549 1.00 0.00 C ATOM 523 CD1 PHE A 36 -10.613 -1.866 -0.559 1.00 0.00 C ATOM 524 CD2 PHE A 36 -9.497 -2.849 1.353 1.00 0.00 C ATOM 525 CE1 PHE A 36 -9.458 -1.144 -0.868 1.00 0.00 C ATOM 526 CE2 PHE A 36 -8.337 -2.128 1.044 1.00 0.00 C ATOM 527 CZ PHE A 36 -8.316 -1.275 -0.065 1.00 0.00 C ATOM 0 H PHE A 36 -12.006 -3.425 -1.975 1.00 0.00 H new ATOM 0 HA PHE A 36 -11.886 -5.502 0.168 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.729 -2.798 1.004 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.765 -3.989 1.856 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -11.492 -1.765 -1.178 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.513 -3.504 2.211 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.445 -0.486 -1.724 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.458 -2.230 1.662 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.421 -0.718 -0.302 1.00 0.00 H new ATOM 537 N LYS A 37 -14.494 -5.284 0.292 1.00 0.00 N ATOM 538 CA LYS A 37 -15.955 -5.280 0.032 1.00 0.00 C ATOM 539 C LYS A 37 -16.702 -4.768 1.262 1.00 0.00 C ATOM 540 O LYS A 37 -16.209 -4.825 2.372 1.00 0.00 O ATOM 541 CB LYS A 37 -16.443 -6.690 -0.318 1.00 0.00 C ATOM 542 CG LYS A 37 -15.260 -7.611 -0.627 1.00 0.00 C ATOM 543 CD LYS A 37 -14.809 -8.301 0.658 1.00 0.00 C ATOM 544 CE LYS A 37 -14.324 -9.713 0.334 1.00 0.00 C ATOM 545 NZ LYS A 37 -14.573 -10.603 1.502 1.00 0.00 N ATOM 0 H LYS A 37 -14.178 -5.901 1.040 1.00 0.00 H new ATOM 0 HA LYS A 37 -16.154 -4.620 -0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.020 -7.097 0.512 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.110 -6.646 -1.179 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.547 -8.354 -1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.438 -7.036 -1.052 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.009 -7.729 1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.633 -8.342 1.370 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.843 -10.095 -0.545 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.261 -9.698 0.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.243 -11.565 1.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.058 -10.241 2.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.592 -10.626 1.710 1.00 0.00 H new ATOM 559 N GLY A 38 -17.887 -4.259 1.069 1.00 0.00 N ATOM 560 CA GLY A 38 -18.672 -3.730 2.223 1.00 0.00 C ATOM 561 C GLY A 38 -18.598 -2.199 2.220 1.00 0.00 C ATOM 562 O GLY A 38 -17.711 -1.621 1.624 1.00 0.00 O ATOM 0 H GLY A 38 -18.347 -4.186 0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.710 -4.056 2.153 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.276 -4.124 3.159 1.00 0.00 H new ATOM 566 N THR A 39 -19.519 -1.540 2.879 1.00 0.00 N ATOM 567 CA THR A 39 -19.496 -0.046 2.904 1.00 0.00 C ATOM 568 C THR A 39 -19.167 0.469 1.501 1.00 0.00 C ATOM 569 O THR A 39 -19.236 -0.264 0.535 1.00 0.00 O ATOM 570 CB THR A 39 -18.437 0.434 3.904 1.00 0.00 C ATOM 571 OG1 THR A 39 -18.615 1.824 4.150 1.00 0.00 O ATOM 572 CG2 THR A 39 -17.036 0.187 3.338 1.00 0.00 C ATOM 0 H THR A 39 -20.283 -1.971 3.399 1.00 0.00 H new ATOM 0 HA THR A 39 -20.469 0.337 3.212 1.00 0.00 H new ATOM 0 HB THR A 39 -18.546 -0.119 4.837 1.00 0.00 H new ATOM 0 HG1 THR A 39 -18.634 1.985 5.116 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.289 0.530 4.053 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.900 -0.879 3.155 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.920 0.734 2.402 1.00 0.00 H new ATOM 580 N PHE A 40 -18.822 1.719 1.360 1.00 0.00 N ATOM 581 CA PHE A 40 -18.513 2.228 0.001 1.00 0.00 C ATOM 582 C PHE A 40 -17.231 3.058 0.003 1.00 0.00 C ATOM 583 O PHE A 40 -16.143 2.523 -0.060 1.00 0.00 O ATOM 584 CB PHE A 40 -19.696 3.053 -0.498 1.00 0.00 C ATOM 585 CG PHE A 40 -19.515 3.370 -1.966 1.00 0.00 C ATOM 586 CD1 PHE A 40 -19.965 2.461 -2.928 1.00 0.00 C ATOM 587 CD2 PHE A 40 -18.901 4.569 -2.367 1.00 0.00 C ATOM 588 CE1 PHE A 40 -19.804 2.742 -4.289 1.00 0.00 C ATOM 589 CE2 PHE A 40 -18.742 4.849 -3.730 1.00 0.00 C ATOM 590 CZ PHE A 40 -19.194 3.937 -4.690 1.00 0.00 C ATOM 0 H PHE A 40 -18.742 2.399 2.116 1.00 0.00 H new ATOM 0 HA PHE A 40 -18.349 1.385 -0.670 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -20.625 2.503 -0.347 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -19.776 3.976 0.076 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -20.438 1.540 -2.620 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -18.553 5.273 -1.626 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -20.150 2.037 -5.030 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -18.270 5.770 -4.040 1.00 0.00 H new ATOM 0 HZ PHE A 40 -19.072 4.155 -5.741 1.00 0.00 H new ATOM 600 N GLU A 41 -17.336 4.354 0.051 1.00 0.00 N ATOM 601 CA GLU A 41 -16.110 5.182 0.032 1.00 0.00 C ATOM 602 C GLU A 41 -15.351 5.001 1.343 1.00 0.00 C ATOM 603 O GLU A 41 -14.219 5.420 1.479 1.00 0.00 O ATOM 604 CB GLU A 41 -16.492 6.642 -0.177 1.00 0.00 C ATOM 605 CG GLU A 41 -15.239 7.441 -0.530 1.00 0.00 C ATOM 606 CD GLU A 41 -15.628 8.701 -1.304 1.00 0.00 C ATOM 607 OE1 GLU A 41 -16.516 8.613 -2.135 1.00 0.00 O ATOM 608 OE2 GLU A 41 -15.027 9.734 -1.055 1.00 0.00 O ATOM 0 H GLU A 41 -18.214 4.870 0.102 1.00 0.00 H new ATOM 0 HA GLU A 41 -15.462 4.870 -0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.229 6.727 -0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -16.952 7.043 0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -14.702 7.713 0.379 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -14.564 6.830 -1.128 1.00 0.00 H new ATOM 615 N LYS A 42 -15.952 4.353 2.304 1.00 0.00 N ATOM 616 CA LYS A 42 -15.247 4.116 3.581 1.00 0.00 C ATOM 617 C LYS A 42 -14.072 3.189 3.287 1.00 0.00 C ATOM 618 O LYS A 42 -13.004 3.308 3.858 1.00 0.00 O ATOM 619 CB LYS A 42 -16.197 3.464 4.585 1.00 0.00 C ATOM 620 CG LYS A 42 -16.311 4.353 5.825 1.00 0.00 C ATOM 621 CD LYS A 42 -16.601 5.795 5.400 1.00 0.00 C ATOM 622 CE LYS A 42 -17.808 6.320 6.179 1.00 0.00 C ATOM 623 NZ LYS A 42 -18.912 6.639 5.231 1.00 0.00 N ATOM 0 H LYS A 42 -16.900 3.980 2.253 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.895 5.054 4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -17.179 3.322 4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.828 2.477 4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.107 3.988 6.474 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.386 4.312 6.400 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.731 6.424 5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.799 5.838 4.329 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -18.139 5.575 6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.531 7.210 6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -19.732 6.996 5.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -18.593 7.364 4.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -19.183 5.780 4.712 1.00 0.00 H new ATOM 637 N ALA A 43 -14.257 2.282 2.363 1.00 0.00 N ATOM 638 CA ALA A 43 -13.154 1.365 1.981 1.00 0.00 C ATOM 639 C ALA A 43 -12.072 2.204 1.317 1.00 0.00 C ATOM 640 O ALA A 43 -10.919 1.835 1.279 1.00 0.00 O ATOM 641 CB ALA A 43 -13.679 0.321 0.997 1.00 0.00 C ATOM 0 H ALA A 43 -15.131 2.140 1.857 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.755 0.849 2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.870 -0.353 0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.481 -0.250 1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.062 0.820 0.107 1.00 0.00 H new ATOM 647 N THR A 44 -12.444 3.345 0.797 1.00 0.00 N ATOM 648 CA THR A 44 -11.437 4.230 0.145 1.00 0.00 C ATOM 649 C THR A 44 -10.367 4.599 1.181 1.00 0.00 C ATOM 650 O THR A 44 -9.193 4.683 0.878 1.00 0.00 O ATOM 651 CB THR A 44 -12.136 5.495 -0.396 1.00 0.00 C ATOM 652 OG1 THR A 44 -11.476 5.922 -1.579 1.00 0.00 O ATOM 653 CG2 THR A 44 -12.109 6.628 0.639 1.00 0.00 C ATOM 0 H THR A 44 -13.400 3.700 0.796 1.00 0.00 H new ATOM 0 HA THR A 44 -10.963 3.717 -0.692 1.00 0.00 H new ATOM 0 HB THR A 44 -13.177 5.251 -0.610 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.917 6.725 -1.928 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.609 7.506 0.230 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.624 6.306 1.544 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.075 6.877 0.879 1.00 0.00 H new ATOM 661 N SER A 45 -10.770 4.809 2.407 1.00 0.00 N ATOM 662 CA SER A 45 -9.788 5.159 3.471 1.00 0.00 C ATOM 663 C SER A 45 -9.052 3.891 3.892 1.00 0.00 C ATOM 664 O SER A 45 -7.851 3.890 4.052 1.00 0.00 O ATOM 665 CB SER A 45 -10.525 5.752 4.673 1.00 0.00 C ATOM 666 OG SER A 45 -11.736 6.354 4.229 1.00 0.00 O ATOM 0 H SER A 45 -11.740 4.753 2.716 1.00 0.00 H new ATOM 0 HA SER A 45 -9.075 5.893 3.095 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.739 4.973 5.404 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.898 6.492 5.170 1.00 0.00 H new ATOM 0 HG SER A 45 -12.213 6.734 4.996 1.00 0.00 H new ATOM 672 N GLU A 46 -9.757 2.801 4.055 1.00 0.00 N ATOM 673 CA GLU A 46 -9.071 1.537 4.439 1.00 0.00 C ATOM 674 C GLU A 46 -8.077 1.187 3.337 1.00 0.00 C ATOM 675 O GLU A 46 -7.109 0.484 3.545 1.00 0.00 O ATOM 676 CB GLU A 46 -10.093 0.411 4.582 1.00 0.00 C ATOM 677 CG GLU A 46 -9.969 -0.221 5.971 1.00 0.00 C ATOM 678 CD GLU A 46 -11.042 -1.300 6.142 1.00 0.00 C ATOM 679 OE1 GLU A 46 -12.208 -0.982 5.973 1.00 0.00 O ATOM 680 OE2 GLU A 46 -10.679 -2.424 6.443 1.00 0.00 O ATOM 0 H GLU A 46 -10.768 2.734 3.940 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.557 1.663 5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.101 0.800 4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.929 -0.343 3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.978 -0.657 6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.081 0.543 6.741 1.00 0.00 H new ATOM 687 N ALA A 47 -8.312 1.701 2.161 1.00 0.00 N ATOM 688 CA ALA A 47 -7.396 1.440 1.023 1.00 0.00 C ATOM 689 C ALA A 47 -6.208 2.383 1.149 1.00 0.00 C ATOM 690 O ALA A 47 -5.074 2.018 0.907 1.00 0.00 O ATOM 691 CB ALA A 47 -8.132 1.711 -0.293 1.00 0.00 C ATOM 0 H ALA A 47 -9.110 2.297 1.941 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.058 0.404 1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.461 1.520 -1.131 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.000 1.056 -0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.459 2.750 -0.320 1.00 0.00 H new ATOM 697 N TYR A 48 -6.469 3.596 1.539 1.00 0.00 N ATOM 698 CA TYR A 48 -5.377 4.577 1.702 1.00 0.00 C ATOM 699 C TYR A 48 -4.417 4.065 2.768 1.00 0.00 C ATOM 700 O TYR A 48 -3.216 4.222 2.675 1.00 0.00 O ATOM 701 CB TYR A 48 -5.976 5.917 2.114 1.00 0.00 C ATOM 702 CG TYR A 48 -5.240 7.029 1.411 1.00 0.00 C ATOM 703 CD1 TYR A 48 -3.974 7.427 1.856 1.00 0.00 C ATOM 704 CD2 TYR A 48 -5.825 7.660 0.309 1.00 0.00 C ATOM 705 CE1 TYR A 48 -3.294 8.458 1.196 1.00 0.00 C ATOM 706 CE2 TYR A 48 -5.148 8.689 -0.351 1.00 0.00 C ATOM 707 CZ TYR A 48 -3.881 9.091 0.093 1.00 0.00 C ATOM 708 OH TYR A 48 -3.213 10.110 -0.556 1.00 0.00 O ATOM 0 H TYR A 48 -7.402 3.949 1.753 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.831 4.709 0.768 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.035 5.949 1.859 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.904 6.044 3.194 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.522 6.940 2.707 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.802 7.352 -0.033 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.317 8.765 1.538 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.601 9.174 -1.203 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.760 10.438 -1.300 1.00 0.00 H new ATOM 718 N ALA A 49 -4.947 3.423 3.763 1.00 0.00 N ATOM 719 CA ALA A 49 -4.090 2.854 4.834 1.00 0.00 C ATOM 720 C ALA A 49 -3.532 1.528 4.329 1.00 0.00 C ATOM 721 O ALA A 49 -2.465 1.097 4.718 1.00 0.00 O ATOM 722 CB ALA A 49 -4.923 2.613 6.096 1.00 0.00 C ATOM 0 H ALA A 49 -5.948 3.266 3.883 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.282 3.543 5.078 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.288 2.196 6.877 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.346 3.557 6.438 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.729 1.914 5.872 1.00 0.00 H new ATOM 728 N TYR A 50 -4.251 0.882 3.449 1.00 0.00 N ATOM 729 CA TYR A 50 -3.773 -0.410 2.898 1.00 0.00 C ATOM 730 C TYR A 50 -2.403 -0.190 2.255 1.00 0.00 C ATOM 731 O TYR A 50 -1.463 -0.918 2.504 1.00 0.00 O ATOM 732 CB TYR A 50 -4.771 -0.898 1.846 1.00 0.00 C ATOM 733 CG TYR A 50 -4.524 -2.354 1.523 1.00 0.00 C ATOM 734 CD1 TYR A 50 -4.178 -3.256 2.537 1.00 0.00 C ATOM 735 CD2 TYR A 50 -4.648 -2.802 0.202 1.00 0.00 C ATOM 736 CE1 TYR A 50 -3.955 -4.603 2.229 1.00 0.00 C ATOM 737 CE2 TYR A 50 -4.426 -4.150 -0.104 1.00 0.00 C ATOM 738 CZ TYR A 50 -4.079 -5.050 0.910 1.00 0.00 C ATOM 739 OH TYR A 50 -3.859 -6.380 0.612 1.00 0.00 O ATOM 0 H TYR A 50 -5.152 1.199 3.090 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.689 -1.156 3.688 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.789 -0.768 2.213 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -4.679 -0.297 0.941 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.083 -2.912 3.556 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.915 -2.108 -0.581 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.687 -5.298 3.011 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.523 -4.495 -1.123 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.987 -6.525 -0.349 1.00 0.00 H new ATOM 749 N ALA A 51 -2.287 0.823 1.439 1.00 0.00 N ATOM 750 CA ALA A 51 -0.983 1.117 0.783 1.00 0.00 C ATOM 751 C ALA A 51 0.018 1.580 1.842 1.00 0.00 C ATOM 752 O ALA A 51 1.217 1.501 1.656 1.00 0.00 O ATOM 753 CB ALA A 51 -1.179 2.217 -0.262 1.00 0.00 C ATOM 0 H ALA A 51 -3.044 1.462 1.198 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.603 0.220 0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.226 2.435 -0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.897 1.883 -1.011 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.554 3.118 0.224 1.00 0.00 H new ATOM 759 N ASP A 52 -0.468 2.052 2.959 1.00 0.00 N ATOM 760 CA ASP A 52 0.451 2.508 4.040 1.00 0.00 C ATOM 761 C ASP A 52 1.128 1.286 4.661 1.00 0.00 C ATOM 762 O ASP A 52 2.295 1.312 4.999 1.00 0.00 O ATOM 763 CB ASP A 52 -0.349 3.252 5.110 1.00 0.00 C ATOM 764 CG ASP A 52 0.611 4.018 6.022 1.00 0.00 C ATOM 765 OD1 ASP A 52 1.793 4.035 5.722 1.00 0.00 O ATOM 766 OD2 ASP A 52 0.147 4.578 7.002 1.00 0.00 O ATOM 0 H ASP A 52 -1.462 2.141 3.169 1.00 0.00 H new ATOM 0 HA ASP A 52 1.206 3.178 3.628 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.051 3.942 4.641 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.939 2.546 5.695 1.00 0.00 H new ATOM 771 N THR A 53 0.403 0.212 4.805 1.00 0.00 N ATOM 772 CA THR A 53 0.997 -1.019 5.391 1.00 0.00 C ATOM 773 C THR A 53 1.830 -1.721 4.310 1.00 0.00 C ATOM 774 O THR A 53 2.708 -2.508 4.601 1.00 0.00 O ATOM 775 CB THR A 53 -0.138 -1.932 5.892 1.00 0.00 C ATOM 776 OG1 THR A 53 -0.393 -1.647 7.259 1.00 0.00 O ATOM 777 CG2 THR A 53 0.244 -3.410 5.750 1.00 0.00 C ATOM 0 H THR A 53 -0.579 0.135 4.541 1.00 0.00 H new ATOM 0 HA THR A 53 1.644 -0.777 6.234 1.00 0.00 H new ATOM 0 HB THR A 53 -1.027 -1.744 5.291 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.116 -2.224 7.584 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.574 -4.034 6.111 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.438 -3.637 4.702 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.140 -3.612 6.337 1.00 0.00 H new ATOM 785 N LEU A 54 1.563 -1.428 3.063 1.00 0.00 N ATOM 786 CA LEU A 54 2.337 -2.065 1.960 1.00 0.00 C ATOM 787 C LEU A 54 3.465 -1.130 1.544 1.00 0.00 C ATOM 788 O LEU A 54 3.708 -0.913 0.378 1.00 0.00 O ATOM 789 CB LEU A 54 1.410 -2.332 0.772 1.00 0.00 C ATOM 790 CG LEU A 54 2.003 -3.437 -0.104 1.00 0.00 C ATOM 791 CD1 LEU A 54 0.877 -4.306 -0.668 1.00 0.00 C ATOM 792 CD2 LEU A 54 2.782 -2.803 -1.257 1.00 0.00 C ATOM 0 H LEU A 54 0.841 -0.774 2.762 1.00 0.00 H new ATOM 0 HA LEU A 54 2.757 -3.012 2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.423 -2.626 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.280 -1.421 0.188 1.00 0.00 H new ATOM 0 HG LEU A 54 2.671 -4.056 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.302 -5.092 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.319 -4.756 0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.207 -3.690 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.206 -3.587 -1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.111 -2.185 -1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.585 -2.184 -0.857 1.00 0.00 H new ATOM 804 N LYS A 55 4.148 -0.576 2.505 1.00 0.00 N ATOM 805 CA LYS A 55 5.272 0.356 2.202 1.00 0.00 C ATOM 806 C LYS A 55 6.547 -0.439 1.903 1.00 0.00 C ATOM 807 O LYS A 55 7.517 -0.369 2.629 1.00 0.00 O ATOM 808 CB LYS A 55 5.520 1.258 3.411 1.00 0.00 C ATOM 809 CG LYS A 55 5.915 0.399 4.614 1.00 0.00 C ATOM 810 CD LYS A 55 4.762 0.366 5.619 1.00 0.00 C ATOM 811 CE LYS A 55 5.165 -0.480 6.827 1.00 0.00 C ATOM 812 NZ LYS A 55 5.754 0.400 7.875 1.00 0.00 N ATOM 0 H LYS A 55 3.975 -0.730 3.498 1.00 0.00 H new ATOM 0 HA LYS A 55 5.010 0.959 1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.310 1.975 3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.623 1.833 3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.156 -0.613 4.288 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.810 0.804 5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.513 1.378 5.937 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.869 -0.050 5.152 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.296 -1.004 7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.886 -1.240 6.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.028 -0.175 8.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.593 0.881 7.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.052 1.109 8.167 1.00 0.00 H new ATOM 826 N LYS A 56 6.559 -1.181 0.832 1.00 0.00 N ATOM 827 CA LYS A 56 7.773 -1.966 0.474 1.00 0.00 C ATOM 828 C LYS A 56 8.788 -1.061 -0.241 1.00 0.00 C ATOM 829 O LYS A 56 9.471 -1.492 -1.150 1.00 0.00 O ATOM 830 CB LYS A 56 7.372 -3.114 -0.456 1.00 0.00 C ATOM 831 CG LYS A 56 6.884 -4.302 0.376 1.00 0.00 C ATOM 832 CD LYS A 56 7.727 -5.536 0.044 1.00 0.00 C ATOM 833 CE LYS A 56 6.807 -6.724 -0.249 1.00 0.00 C ATOM 834 NZ LYS A 56 6.923 -7.102 -1.686 1.00 0.00 N ATOM 0 H LYS A 56 5.776 -1.278 0.186 1.00 0.00 H new ATOM 0 HA LYS A 56 8.227 -2.365 1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.586 -2.786 -1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.222 -3.412 -1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.960 -4.071 1.439 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.833 -4.499 0.167 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.362 -5.334 -0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.388 -5.772 0.878 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.076 -7.570 0.383 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.775 -6.465 -0.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.298 -7.909 -1.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.646 -6.295 -2.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.907 -7.366 -1.897 1.00 0.00 H new ATOM 848 N ASP A 57 8.885 0.187 0.161 1.00 0.00 N ATOM 849 CA ASP A 57 9.847 1.137 -0.481 1.00 0.00 C ATOM 850 C ASP A 57 9.190 1.793 -1.694 1.00 0.00 C ATOM 851 O ASP A 57 9.697 1.738 -2.798 1.00 0.00 O ATOM 852 CB ASP A 57 11.106 0.394 -0.921 1.00 0.00 C ATOM 853 CG ASP A 57 12.249 1.391 -1.110 1.00 0.00 C ATOM 854 OD1 ASP A 57 12.186 2.455 -0.516 1.00 0.00 O ATOM 855 OD2 ASP A 57 13.168 1.075 -1.846 1.00 0.00 O ATOM 0 H ASP A 57 8.330 0.590 0.916 1.00 0.00 H new ATOM 0 HA ASP A 57 10.122 1.904 0.243 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.380 -0.352 -0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.918 -0.141 -1.852 1.00 0.00 H new ATOM 860 N ASN A 58 8.059 2.407 -1.496 1.00 0.00 N ATOM 861 CA ASN A 58 7.353 3.063 -2.624 1.00 0.00 C ATOM 862 C ASN A 58 7.377 4.583 -2.452 1.00 0.00 C ATOM 863 O ASN A 58 6.736 5.308 -3.188 1.00 0.00 O ATOM 864 CB ASN A 58 5.916 2.579 -2.647 1.00 0.00 C ATOM 865 CG ASN A 58 5.855 1.120 -2.203 1.00 0.00 C ATOM 866 OD1 ASN A 58 6.514 0.275 -2.776 1.00 0.00 O ATOM 867 ND2 ASN A 58 5.096 0.780 -1.200 1.00 0.00 N ATOM 0 H ASN A 58 7.591 2.482 -0.593 1.00 0.00 H new ATOM 0 HA ASN A 58 7.851 2.810 -3.560 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.304 3.195 -1.988 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.504 2.681 -3.651 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.056 -0.193 -0.898 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.542 1.487 -0.717 1.00 0.00 H new ATOM 874 N GLY A 59 8.108 5.076 -1.492 1.00 0.00 N ATOM 875 CA GLY A 59 8.167 6.551 -1.286 1.00 0.00 C ATOM 876 C GLY A 59 6.750 7.112 -1.223 1.00 0.00 C ATOM 877 O GLY A 59 6.514 8.266 -1.518 1.00 0.00 O ATOM 0 H GLY A 59 8.667 4.523 -0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.701 6.779 -0.364 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.720 7.021 -2.099 1.00 0.00 H new ATOM 881 N GLU A 60 5.812 6.291 -0.848 1.00 0.00 N ATOM 882 CA GLU A 60 4.396 6.731 -0.762 1.00 0.00 C ATOM 883 C GLU A 60 3.795 6.767 -2.160 1.00 0.00 C ATOM 884 O GLU A 60 4.372 6.273 -3.108 1.00 0.00 O ATOM 885 CB GLU A 60 4.308 8.107 -0.103 1.00 0.00 C ATOM 886 CG GLU A 60 5.088 8.069 1.210 1.00 0.00 C ATOM 887 CD GLU A 60 5.264 9.491 1.743 1.00 0.00 C ATOM 888 OE1 GLU A 60 4.825 10.411 1.075 1.00 0.00 O ATOM 889 OE2 GLU A 60 5.836 9.635 2.810 1.00 0.00 O ATOM 0 H GLU A 60 5.971 5.316 -0.593 1.00 0.00 H new ATOM 0 HA GLU A 60 3.833 6.026 -0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.718 8.870 -0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.267 8.372 0.083 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.559 7.458 1.942 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.062 7.606 1.053 1.00 0.00 H new ATOM 896 N TYR A 61 2.629 7.312 -2.288 1.00 0.00 N ATOM 897 CA TYR A 61 1.973 7.338 -3.627 1.00 0.00 C ATOM 898 C TYR A 61 0.896 8.420 -3.689 1.00 0.00 C ATOM 899 O TYR A 61 0.689 9.173 -2.759 1.00 0.00 O ATOM 900 CB TYR A 61 1.289 5.995 -3.840 1.00 0.00 C ATOM 901 CG TYR A 61 0.386 5.736 -2.657 1.00 0.00 C ATOM 902 CD1 TYR A 61 -0.938 6.192 -2.667 1.00 0.00 C ATOM 903 CD2 TYR A 61 0.880 5.053 -1.542 1.00 0.00 C ATOM 904 CE1 TYR A 61 -1.764 5.961 -1.563 1.00 0.00 C ATOM 905 CE2 TYR A 61 0.059 4.826 -0.440 1.00 0.00 C ATOM 906 CZ TYR A 61 -1.267 5.277 -0.449 1.00 0.00 C ATOM 907 OH TYR A 61 -2.083 5.058 0.642 1.00 0.00 O ATOM 0 H TYR A 61 2.097 7.741 -1.531 1.00 0.00 H new ATOM 0 HA TYR A 61 2.729 7.541 -4.386 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.712 6.004 -4.765 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.030 5.201 -3.934 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.321 6.722 -3.527 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.901 4.700 -1.535 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.786 6.311 -1.570 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.445 4.302 0.422 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.569 5.881 0.857 1.00 0.00 H new ATOM 917 N THR A 62 0.183 8.461 -4.783 1.00 0.00 N ATOM 918 CA THR A 62 -0.923 9.444 -4.941 1.00 0.00 C ATOM 919 C THR A 62 -2.218 8.652 -5.136 1.00 0.00 C ATOM 920 O THR A 62 -2.198 7.532 -5.605 1.00 0.00 O ATOM 921 CB THR A 62 -0.664 10.328 -6.166 1.00 0.00 C ATOM 922 OG1 THR A 62 -1.836 11.076 -6.463 1.00 0.00 O ATOM 923 CG2 THR A 62 -0.300 9.452 -7.365 1.00 0.00 C ATOM 0 H THR A 62 0.324 7.845 -5.584 1.00 0.00 H new ATOM 0 HA THR A 62 -0.994 10.087 -4.064 1.00 0.00 H new ATOM 0 HB THR A 62 0.161 11.009 -5.954 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.672 11.644 -7.245 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.116 10.083 -8.234 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.598 8.878 -7.137 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.122 8.769 -7.580 1.00 0.00 H new ATOM 931 N VAL A 63 -3.341 9.199 -4.771 1.00 0.00 N ATOM 932 CA VAL A 63 -4.609 8.434 -4.936 1.00 0.00 C ATOM 933 C VAL A 63 -5.363 8.921 -6.171 1.00 0.00 C ATOM 934 O VAL A 63 -5.835 10.039 -6.219 1.00 0.00 O ATOM 935 CB VAL A 63 -5.488 8.622 -3.702 1.00 0.00 C ATOM 936 CG1 VAL A 63 -6.016 10.058 -3.657 1.00 0.00 C ATOM 937 CG2 VAL A 63 -6.664 7.647 -3.776 1.00 0.00 C ATOM 0 H VAL A 63 -3.438 10.132 -4.370 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.367 7.378 -5.058 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.903 8.429 -2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.643 10.188 -2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.177 10.753 -3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.604 10.258 -4.553 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.298 7.774 -2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.246 7.847 -4.676 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.288 6.625 -3.807 1.00 0.00 H new ATOM 947 N ASP A 64 -5.494 8.087 -7.169 1.00 0.00 N ATOM 948 CA ASP A 64 -6.232 8.502 -8.385 1.00 0.00 C ATOM 949 C ASP A 64 -7.720 8.250 -8.164 1.00 0.00 C ATOM 950 O ASP A 64 -8.133 7.739 -7.143 1.00 0.00 O ATOM 951 CB ASP A 64 -5.740 7.689 -9.586 1.00 0.00 C ATOM 952 CG ASP A 64 -5.017 8.614 -10.566 1.00 0.00 C ATOM 953 OD1 ASP A 64 -3.829 8.826 -10.381 1.00 0.00 O ATOM 954 OD2 ASP A 64 -5.660 9.095 -11.484 1.00 0.00 O ATOM 0 H ASP A 64 -5.120 7.138 -7.189 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.063 9.561 -8.582 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.068 6.898 -9.253 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.582 7.205 -10.080 1.00 0.00 H new ATOM 959 N VAL A 65 -8.522 8.610 -9.112 1.00 0.00 N ATOM 960 CA VAL A 65 -9.990 8.402 -8.966 1.00 0.00 C ATOM 961 C VAL A 65 -10.591 8.031 -10.329 1.00 0.00 C ATOM 962 O VAL A 65 -10.520 8.783 -11.281 1.00 0.00 O ATOM 963 CB VAL A 65 -10.628 9.688 -8.391 1.00 0.00 C ATOM 964 CG1 VAL A 65 -11.713 10.249 -9.322 1.00 0.00 C ATOM 965 CG2 VAL A 65 -11.253 9.365 -7.031 1.00 0.00 C ATOM 0 H VAL A 65 -8.230 9.042 -9.989 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.194 7.583 -8.276 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.847 10.442 -8.291 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -12.137 11.152 -8.883 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.274 10.488 -10.290 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -12.499 9.506 -9.454 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.706 10.265 -6.616 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.017 8.598 -7.155 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.481 9.002 -6.353 1.00 0.00 H new ATOM 975 N ALA A 66 -11.182 6.872 -10.421 1.00 0.00 N ATOM 976 CA ALA A 66 -11.791 6.434 -11.708 1.00 0.00 C ATOM 977 C ALA A 66 -12.823 5.342 -11.425 1.00 0.00 C ATOM 978 O ALA A 66 -13.076 4.999 -10.288 1.00 0.00 O ATOM 979 CB ALA A 66 -10.700 5.875 -12.621 1.00 0.00 C ATOM 0 H ALA A 66 -11.270 6.205 -9.654 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.274 7.281 -12.195 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.144 5.554 -13.563 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.956 6.648 -12.815 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.221 5.024 -12.137 1.00 0.00 H new ATOM 985 N ASP A 67 -13.419 4.786 -12.444 1.00 0.00 N ATOM 986 CA ASP A 67 -14.426 3.713 -12.211 1.00 0.00 C ATOM 987 C ASP A 67 -15.626 4.290 -11.456 1.00 0.00 C ATOM 988 O ASP A 67 -16.208 3.642 -10.608 1.00 0.00 O ATOM 989 CB ASP A 67 -13.794 2.609 -11.381 1.00 0.00 C ATOM 990 CG ASP A 67 -14.356 1.252 -11.807 1.00 0.00 C ATOM 991 OD1 ASP A 67 -14.143 0.877 -12.948 1.00 0.00 O ATOM 992 OD2 ASP A 67 -14.989 0.610 -10.986 1.00 0.00 O ATOM 0 H ASP A 67 -13.254 5.026 -13.421 1.00 0.00 H new ATOM 0 HA ASP A 67 -14.760 3.312 -13.168 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.712 2.620 -11.508 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.992 2.779 -10.323 1.00 0.00 H new ATOM 997 N LYS A 68 -15.991 5.509 -11.753 1.00 0.00 N ATOM 998 CA LYS A 68 -17.146 6.143 -11.052 1.00 0.00 C ATOM 999 C LYS A 68 -16.675 6.665 -9.685 1.00 0.00 C ATOM 1000 O LYS A 68 -17.462 7.108 -8.873 1.00 0.00 O ATOM 1001 CB LYS A 68 -18.291 5.111 -10.904 1.00 0.00 C ATOM 1002 CG LYS A 68 -18.542 4.744 -9.432 1.00 0.00 C ATOM 1003 CD LYS A 68 -19.598 3.640 -9.345 1.00 0.00 C ATOM 1004 CE LYS A 68 -19.197 2.470 -10.243 1.00 0.00 C ATOM 1005 NZ LYS A 68 -20.069 2.453 -11.450 1.00 0.00 N ATOM 0 H LYS A 68 -15.537 6.095 -12.454 1.00 0.00 H new ATOM 0 HA LYS A 68 -17.528 6.985 -11.629 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -19.205 5.517 -11.338 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.044 4.210 -11.466 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -17.614 4.410 -8.968 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.876 5.623 -8.880 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -19.699 3.301 -8.314 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -20.570 4.028 -9.650 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -18.152 2.564 -10.537 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -19.292 1.530 -9.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.624 1.875 -12.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -20.995 2.048 -11.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -20.198 3.424 -11.799 1.00 0.00 H new ATOM 1019 N GLY A 69 -15.397 6.611 -9.428 1.00 0.00 N ATOM 1020 CA GLY A 69 -14.882 7.095 -8.116 1.00 0.00 C ATOM 1021 C GLY A 69 -14.919 5.935 -7.123 1.00 0.00 C ATOM 1022 O GLY A 69 -15.370 6.073 -6.004 1.00 0.00 O ATOM 0 H GLY A 69 -14.688 6.253 -10.068 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.864 7.469 -8.223 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.490 7.924 -7.753 1.00 0.00 H new ATOM 1026 N TYR A 70 -14.461 4.782 -7.535 1.00 0.00 N ATOM 1027 CA TYR A 70 -14.483 3.607 -6.639 1.00 0.00 C ATOM 1028 C TYR A 70 -13.171 2.824 -6.759 1.00 0.00 C ATOM 1029 O TYR A 70 -12.669 2.289 -5.791 1.00 0.00 O ATOM 1030 CB TYR A 70 -15.646 2.719 -7.048 1.00 0.00 C ATOM 1031 CG TYR A 70 -16.327 2.141 -5.830 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -16.490 2.916 -4.671 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -16.804 0.826 -5.863 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -17.127 2.374 -3.550 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -17.444 0.286 -4.745 1.00 0.00 C ATOM 1036 CZ TYR A 70 -17.605 1.056 -3.589 1.00 0.00 C ATOM 1037 OH TYR A 70 -18.239 0.517 -2.492 1.00 0.00 O ATOM 0 H TYR A 70 -14.071 4.611 -8.462 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.597 3.933 -5.605 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -16.363 3.296 -7.633 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -15.288 1.913 -7.688 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -16.123 3.931 -4.645 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -16.677 0.228 -6.753 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -17.250 2.969 -2.657 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -17.815 -0.728 -4.774 1.00 0.00 H new ATOM 0 HH TYR A 70 -19.082 0.992 -2.335 1.00 0.00 H new ATOM 1047 N THR A 71 -12.615 2.745 -7.936 1.00 0.00 N ATOM 1048 CA THR A 71 -11.342 1.986 -8.106 1.00 0.00 C ATOM 1049 C THR A 71 -10.153 2.948 -8.086 1.00 0.00 C ATOM 1050 O THR A 71 -9.509 3.183 -9.090 1.00 0.00 O ATOM 1051 CB THR A 71 -11.374 1.231 -9.435 1.00 0.00 C ATOM 1052 OG1 THR A 71 -12.561 0.452 -9.504 1.00 0.00 O ATOM 1053 CG2 THR A 71 -10.153 0.316 -9.541 1.00 0.00 C ATOM 0 H THR A 71 -12.985 3.171 -8.786 1.00 0.00 H new ATOM 0 HA THR A 71 -11.235 1.275 -7.287 1.00 0.00 H new ATOM 0 HB THR A 71 -11.357 1.946 -10.258 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.512 -0.151 -10.275 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.181 -0.220 -10.490 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.244 0.915 -9.489 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.163 -0.400 -8.720 1.00 0.00 H new ATOM 1061 N LEU A 72 -9.858 3.501 -6.942 1.00 0.00 N ATOM 1062 CA LEU A 72 -8.710 4.446 -6.836 1.00 0.00 C ATOM 1063 C LEU A 72 -7.394 3.700 -7.075 1.00 0.00 C ATOM 1064 O LEU A 72 -7.013 2.834 -6.313 1.00 0.00 O ATOM 1065 CB LEU A 72 -8.691 5.056 -5.434 1.00 0.00 C ATOM 1066 CG LEU A 72 -8.788 3.940 -4.390 1.00 0.00 C ATOM 1067 CD1 LEU A 72 -7.411 3.698 -3.768 1.00 0.00 C ATOM 1068 CD2 LEU A 72 -9.773 4.359 -3.296 1.00 0.00 C ATOM 0 H LEU A 72 -10.365 3.338 -6.072 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.820 5.230 -7.585 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.775 5.627 -5.287 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.522 5.751 -5.317 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.135 3.023 -4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.482 2.903 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.706 3.405 -4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.062 4.613 -3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.846 3.568 -2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.421 5.275 -2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.754 4.533 -3.737 1.00 0.00 H new ATOM 1080 N ASN A 73 -6.694 4.038 -8.123 1.00 0.00 N ATOM 1081 CA ASN A 73 -5.397 3.359 -8.407 1.00 0.00 C ATOM 1082 C ASN A 73 -4.275 4.077 -7.664 1.00 0.00 C ATOM 1083 O ASN A 73 -3.978 5.227 -7.920 1.00 0.00 O ATOM 1084 CB ASN A 73 -5.118 3.393 -9.903 1.00 0.00 C ATOM 1085 CG ASN A 73 -6.216 2.637 -10.657 1.00 0.00 C ATOM 1086 OD1 ASN A 73 -6.981 1.797 -10.013 1.00 0.00 O flip ATOM 1087 ND2 ASN A 73 -6.377 2.811 -11.848 1.00 0.00 N flip ATOM 0 H ASN A 73 -6.964 4.756 -8.796 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.451 2.323 -8.073 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.072 4.425 -10.249 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.147 2.944 -10.111 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.781 3.467 -12.353 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.109 2.302 -12.344 1.00 0.00 H new ATOM 1094 N ILE A 74 -3.655 3.405 -6.739 1.00 0.00 N ATOM 1095 CA ILE A 74 -2.557 4.038 -5.964 1.00 0.00 C ATOM 1096 C ILE A 74 -1.248 3.967 -6.756 1.00 0.00 C ATOM 1097 O ILE A 74 -0.678 2.911 -6.938 1.00 0.00 O ATOM 1098 CB ILE A 74 -2.396 3.292 -4.639 1.00 0.00 C ATOM 1099 CG1 ILE A 74 -3.580 3.621 -3.728 1.00 0.00 C ATOM 1100 CG2 ILE A 74 -1.096 3.729 -3.966 1.00 0.00 C ATOM 1101 CD1 ILE A 74 -4.141 2.337 -3.116 1.00 0.00 C ATOM 0 H ILE A 74 -3.863 2.439 -6.485 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.798 5.084 -5.776 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.365 2.218 -4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.263 4.302 -2.938 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.357 4.132 -4.297 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.979 3.198 -3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.253 3.499 -4.618 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.127 4.802 -3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.984 2.580 -2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.475 1.671 -3.911 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.365 1.843 -2.531 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.763 5.087 -7.213 1.00 0.00 N ATOM 1114 CA LYS A 75 0.515 5.097 -7.980 1.00 0.00 C ATOM 1115 C LYS A 75 1.641 5.566 -7.059 1.00 0.00 C ATOM 1116 O LYS A 75 1.694 6.715 -6.675 1.00 0.00 O ATOM 1117 CB LYS A 75 0.394 6.060 -9.158 1.00 0.00 C ATOM 1118 CG LYS A 75 0.958 5.405 -10.420 1.00 0.00 C ATOM 1119 CD LYS A 75 2.464 5.658 -10.495 1.00 0.00 C ATOM 1120 CE LYS A 75 2.726 7.161 -10.599 1.00 0.00 C ATOM 1121 NZ LYS A 75 4.125 7.388 -11.055 1.00 0.00 N ATOM 0 H LYS A 75 -1.198 6.001 -7.088 1.00 0.00 H new ATOM 0 HA LYS A 75 0.730 4.095 -8.352 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.650 6.331 -9.313 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.934 6.982 -8.943 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.759 4.333 -10.407 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.466 5.810 -11.304 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.956 5.253 -9.610 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.887 5.144 -11.358 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.025 7.616 -11.299 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.565 7.637 -9.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.305 8.410 -11.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.786 6.967 -10.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.263 6.946 -11.986 1.00 0.00 H new ATOM 1135 N PHE A 76 2.543 4.695 -6.695 1.00 0.00 N ATOM 1136 CA PHE A 76 3.650 5.132 -5.789 1.00 0.00 C ATOM 1137 C PHE A 76 4.769 5.778 -6.609 1.00 0.00 C ATOM 1138 O PHE A 76 4.845 5.620 -7.811 1.00 0.00 O ATOM 1139 CB PHE A 76 4.226 3.946 -5.008 1.00 0.00 C ATOM 1140 CG PHE A 76 3.143 2.964 -4.633 1.00 0.00 C ATOM 1141 CD1 PHE A 76 2.728 1.985 -5.538 1.00 0.00 C ATOM 1142 CD2 PHE A 76 2.569 3.030 -3.364 1.00 0.00 C ATOM 1143 CE1 PHE A 76 1.732 1.071 -5.171 1.00 0.00 C ATOM 1144 CE2 PHE A 76 1.574 2.122 -2.994 1.00 0.00 C ATOM 1145 CZ PHE A 76 1.155 1.142 -3.898 1.00 0.00 C ATOM 0 H PHE A 76 2.565 3.715 -6.978 1.00 0.00 H new ATOM 0 HA PHE A 76 3.239 5.853 -5.082 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.984 3.444 -5.610 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.722 4.307 -4.107 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.175 1.933 -6.520 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.895 3.786 -2.665 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.410 0.313 -5.869 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.129 2.177 -2.011 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.386 0.439 -3.614 1.00 0.00 H new ATOM 1155 N ALA A 77 5.639 6.508 -5.961 1.00 0.00 N ATOM 1156 CA ALA A 77 6.757 7.172 -6.691 1.00 0.00 C ATOM 1157 C ALA A 77 7.878 6.159 -6.943 1.00 0.00 C ATOM 1158 O ALA A 77 8.243 5.889 -8.071 1.00 0.00 O ATOM 1159 CB ALA A 77 7.298 8.333 -5.851 1.00 0.00 C ATOM 0 H ALA A 77 5.622 6.673 -4.955 1.00 0.00 H new ATOM 0 HA ALA A 77 6.391 7.553 -7.645 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.115 8.818 -6.385 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.501 9.055 -5.673 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.663 7.953 -4.897 1.00 0.00 H new ATOM 1165 N GLY A 78 8.427 5.598 -5.900 1.00 0.00 N ATOM 1166 CA GLY A 78 9.522 4.601 -6.079 1.00 0.00 C ATOM 1167 C GLY A 78 8.921 3.240 -6.432 1.00 0.00 C ATOM 1168 O GLY A 78 9.607 2.458 -7.069 1.00 0.00 O ATOM 1169 OXT GLY A 78 7.784 3.002 -6.059 1.00 0.00 O ATOM 0 H GLY A 78 8.165 5.786 -4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 78 10.199 4.927 -6.868 1.00 0.00 H new ATOM 0 HA3 GLY A 78 10.111 4.524 -5.165 1.00 0.00 H new