USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 402 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 THR OG1 : rot 31:sc= 0.166 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.485 X(o=-0.49,f=0) USER MOD Single : A 44 TYR OH : rot -141:sc= 0.333 USER MOD Single : A 45 CYS SG : rot 6:sc= -0.423 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -97:sc= 0.379 USER MOD Single : A 53 HIS : no HD1:sc= -0.0989 X(o=-0.099,f=-0.08) USER MOD Single : A 58 GLN : amide:sc= 0.0156 X(o=0.016,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.7!) USER MOD Single : A 63 HIS : no HD1:sc= -0.899 K(o=-0.9,f=-0.085) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 271 N THR A 20 -3.193 -7.278 1.263 1.00 0.00 N ATOM 272 CA THR A 20 -3.958 -6.109 0.847 1.00 0.00 C ATOM 273 C THR A 20 -3.656 -5.741 -0.601 1.00 0.00 C ATOM 274 O THR A 20 -2.539 -5.342 -0.930 1.00 0.00 O ATOM 275 CB THR A 20 -3.662 -4.895 1.747 1.00 0.00 C ATOM 276 OG1 THR A 20 -3.788 -5.263 3.125 1.00 0.00 O ATOM 277 CG2 THR A 20 -4.609 -3.746 1.434 1.00 0.00 C ATOM 0 HA THR A 20 -5.012 -6.371 0.939 1.00 0.00 H new ATOM 0 HB THR A 20 -2.641 -4.567 1.552 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.546 -6.206 3.235 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.381 -2.900 2.082 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.488 -3.448 0.392 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.637 -4.066 1.603 1.00 0.00 H new ATOM 285 N VAL A 21 -4.658 -5.876 -1.463 1.00 0.00 N ATOM 286 CA VAL A 21 -4.500 -5.556 -2.877 1.00 0.00 C ATOM 287 C VAL A 21 -5.457 -4.447 -3.299 1.00 0.00 C ATOM 288 O VAL A 21 -6.606 -4.402 -2.859 1.00 0.00 O ATOM 289 CB VAL A 21 -4.741 -6.792 -3.763 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.833 -6.390 -5.227 1.00 0.00 C ATOM 291 CG2 VAL A 21 -3.640 -7.821 -3.553 1.00 0.00 C ATOM 0 H VAL A 21 -5.589 -6.205 -1.207 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.473 -5.217 -3.012 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.690 -7.244 -3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.003 -7.277 -5.838 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.660 -5.692 -5.361 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.902 -5.913 -5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.826 -8.688 -4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.677 -7.382 -3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.627 -8.132 -2.508 1.00 0.00 H new ATOM 301 N VAL A 22 -4.975 -3.552 -4.156 1.00 0.00 N ATOM 302 CA VAL A 22 -5.788 -2.443 -4.640 1.00 0.00 C ATOM 303 C VAL A 22 -5.818 -2.408 -6.164 1.00 0.00 C ATOM 304 O VAL A 22 -4.937 -2.958 -6.825 1.00 0.00 O ATOM 305 CB VAL A 22 -5.263 -1.092 -4.117 1.00 0.00 C ATOM 306 CG1 VAL A 22 -5.769 -0.833 -2.706 1.00 0.00 C ATOM 307 CG2 VAL A 22 -3.743 -1.058 -4.162 1.00 0.00 C ATOM 0 H VAL A 22 -4.026 -3.574 -4.529 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.798 -2.603 -4.263 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.640 -0.300 -4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.388 0.125 -2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.859 -0.812 -2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.423 -1.627 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.389 -0.097 -3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.343 -1.858 -3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.406 -1.195 -5.190 1.00 0.00 H new ATOM 317 N ILE A 23 -6.837 -1.757 -6.715 1.00 0.00 N ATOM 318 CA ILE A 23 -6.981 -1.648 -8.162 1.00 0.00 C ATOM 319 C ILE A 23 -7.105 -0.191 -8.594 1.00 0.00 C ATOM 320 O ILE A 23 -7.753 0.612 -7.925 1.00 0.00 O ATOM 321 CB ILE A 23 -8.210 -2.428 -8.665 1.00 0.00 C ATOM 322 CG1 ILE A 23 -8.264 -3.812 -8.015 1.00 0.00 C ATOM 323 CG2 ILE A 23 -8.175 -2.551 -10.181 1.00 0.00 C ATOM 324 CD1 ILE A 23 -9.644 -4.433 -8.031 1.00 0.00 C ATOM 0 H ILE A 23 -7.575 -1.297 -6.182 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.082 -2.079 -8.602 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.109 -1.880 -8.385 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.570 -4.475 -8.532 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.921 -3.734 -6.983 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.050 -3.105 -10.521 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.179 -1.556 -10.627 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.271 -3.080 -10.482 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.608 -5.412 -7.554 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.338 -3.791 -7.489 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.981 -4.544 -9.062 1.00 0.00 H new ATOM 336 N ALA A 24 -6.481 0.141 -9.720 1.00 0.00 N ATOM 337 CA ALA A 24 -6.525 1.500 -10.244 1.00 0.00 C ATOM 338 C ALA A 24 -7.764 1.717 -11.106 1.00 0.00 C ATOM 339 O ALA A 24 -8.029 0.952 -12.034 1.00 0.00 O ATOM 340 CB ALA A 24 -5.265 1.798 -11.044 1.00 0.00 C ATOM 0 H ALA A 24 -5.940 -0.512 -10.286 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.578 2.187 -9.399 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.311 2.816 -11.430 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.392 1.693 -10.400 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.188 1.098 -11.876 1.00 0.00 H new ATOM 346 N LEU A 25 -8.521 2.762 -10.793 1.00 0.00 N ATOM 347 CA LEU A 25 -9.734 3.079 -11.539 1.00 0.00 C ATOM 348 C LEU A 25 -9.396 3.669 -12.904 1.00 0.00 C ATOM 349 O LEU A 25 -10.069 3.390 -13.896 1.00 0.00 O ATOM 350 CB LEU A 25 -10.602 4.059 -10.747 1.00 0.00 C ATOM 351 CG LEU A 25 -11.048 3.593 -9.361 1.00 0.00 C ATOM 352 CD1 LEU A 25 -11.430 4.783 -8.494 1.00 0.00 C ATOM 353 CD2 LEU A 25 -12.211 2.618 -9.475 1.00 0.00 C ATOM 0 H LEU A 25 -8.317 3.405 -10.028 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.289 2.153 -11.692 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.050 4.992 -10.634 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.491 4.283 -11.336 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.213 3.078 -8.886 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.745 4.431 -7.511 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.570 5.444 -8.385 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.249 5.327 -8.964 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.515 2.297 -8.479 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.049 3.108 -9.970 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.902 1.750 -10.058 1.00 0.00 H new ATOM 365 N TYR A 26 -8.348 4.485 -12.946 1.00 0.00 N ATOM 366 CA TYR A 26 -7.920 5.115 -14.190 1.00 0.00 C ATOM 367 C TYR A 26 -6.429 4.897 -14.426 1.00 0.00 C ATOM 368 O TYR A 26 -5.630 4.921 -13.489 1.00 0.00 O ATOM 369 CB TYR A 26 -8.229 6.613 -14.160 1.00 0.00 C ATOM 370 CG TYR A 26 -9.558 6.944 -13.518 1.00 0.00 C ATOM 371 CD1 TYR A 26 -10.730 6.948 -14.264 1.00 0.00 C ATOM 372 CD2 TYR A 26 -9.641 7.254 -12.166 1.00 0.00 C ATOM 373 CE1 TYR A 26 -11.946 7.251 -13.682 1.00 0.00 C ATOM 374 CE2 TYR A 26 -10.852 7.557 -11.576 1.00 0.00 C ATOM 375 CZ TYR A 26 -12.002 7.554 -12.338 1.00 0.00 C ATOM 376 OH TYR A 26 -13.211 7.856 -11.754 1.00 0.00 O ATOM 0 H TYR A 26 -7.780 4.725 -12.134 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.471 4.653 -15.010 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.435 7.129 -13.619 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.222 6.998 -15.180 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.690 6.710 -15.317 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.743 7.258 -11.566 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.848 7.251 -14.277 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.899 7.795 -10.524 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.076 8.044 -10.802 1.00 0.00 H new ATOM 386 N ASP A 27 -6.061 4.684 -15.684 1.00 0.00 N ATOM 387 CA ASP A 27 -4.666 4.463 -16.046 1.00 0.00 C ATOM 388 C ASP A 27 -3.818 5.689 -15.718 1.00 0.00 C ATOM 389 O ASP A 27 -3.688 6.602 -16.533 1.00 0.00 O ATOM 390 CB ASP A 27 -4.549 4.131 -17.535 1.00 0.00 C ATOM 391 CG ASP A 27 -5.357 5.074 -18.403 1.00 0.00 C ATOM 392 OD1 ASP A 27 -6.500 5.400 -18.021 1.00 0.00 O ATOM 393 OD2 ASP A 27 -4.847 5.486 -19.467 1.00 0.00 O ATOM 0 H ASP A 27 -6.710 4.660 -16.471 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.295 3.620 -15.463 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.501 4.175 -17.833 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.886 3.108 -17.704 1.00 0.00 H new ATOM 398 N TYR A 28 -3.245 5.702 -14.520 1.00 0.00 N ATOM 399 CA TYR A 28 -2.414 6.816 -14.082 1.00 0.00 C ATOM 400 C TYR A 28 -1.036 6.757 -14.734 1.00 0.00 C ATOM 401 O TYR A 28 -0.553 5.682 -15.091 1.00 0.00 O ATOM 402 CB TYR A 28 -2.271 6.806 -12.559 1.00 0.00 C ATOM 403 CG TYR A 28 -1.592 8.039 -12.006 1.00 0.00 C ATOM 404 CD1 TYR A 28 -2.258 9.257 -11.950 1.00 0.00 C ATOM 405 CD2 TYR A 28 -0.284 7.986 -11.540 1.00 0.00 C ATOM 406 CE1 TYR A 28 -1.642 10.386 -11.446 1.00 0.00 C ATOM 407 CE2 TYR A 28 0.340 9.109 -11.034 1.00 0.00 C ATOM 408 CZ TYR A 28 -0.343 10.307 -10.989 1.00 0.00 C ATOM 409 OH TYR A 28 0.275 11.429 -10.486 1.00 0.00 O ATOM 0 H TYR A 28 -3.341 4.953 -13.835 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.902 7.742 -14.388 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.260 6.714 -12.110 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.703 5.925 -12.262 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.275 9.322 -12.307 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.254 7.050 -11.574 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.174 11.325 -11.410 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.357 9.050 -10.675 1.00 0.00 H new ATOM 0 HH TYR A 28 1.187 11.203 -10.206 1.00 0.00 H new ATOM 507 N GLU A 35 6.899 9.006 -7.769 1.00 0.00 N ATOM 508 CA GLU A 35 5.556 8.517 -8.059 1.00 0.00 C ATOM 509 C GLU A 35 5.605 7.331 -9.018 1.00 0.00 C ATOM 510 O GLU A 35 6.608 7.108 -9.697 1.00 0.00 O ATOM 511 CB GLU A 35 4.701 9.636 -8.657 1.00 0.00 C ATOM 512 CG GLU A 35 4.458 10.793 -7.703 1.00 0.00 C ATOM 513 CD GLU A 35 3.888 12.014 -8.399 1.00 0.00 C ATOM 514 OE1 GLU A 35 4.396 12.367 -9.484 1.00 0.00 O ATOM 515 OE2 GLU A 35 2.937 12.616 -7.859 1.00 0.00 O ATOM 0 HA GLU A 35 5.106 8.187 -7.123 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.189 10.014 -9.556 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.741 9.223 -8.965 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.772 10.474 -6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.396 11.061 -7.217 1.00 0.00 H new ATOM 522 N LEU A 36 4.515 6.573 -9.068 1.00 0.00 N ATOM 523 CA LEU A 36 4.433 5.408 -9.942 1.00 0.00 C ATOM 524 C LEU A 36 3.249 5.528 -10.897 1.00 0.00 C ATOM 525 O LEU A 36 2.240 6.155 -10.576 1.00 0.00 O ATOM 526 CB LEU A 36 4.305 4.130 -9.112 1.00 0.00 C ATOM 527 CG LEU A 36 3.998 2.851 -9.892 1.00 0.00 C ATOM 528 CD1 LEU A 36 5.283 2.212 -10.396 1.00 0.00 C ATOM 529 CD2 LEU A 36 3.218 1.873 -9.026 1.00 0.00 C ATOM 0 H LEU A 36 3.676 6.744 -8.514 1.00 0.00 H new ATOM 0 HA LEU A 36 5.349 5.361 -10.531 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.235 3.983 -8.563 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.518 4.278 -8.372 1.00 0.00 H new ATOM 0 HG LEU A 36 3.384 3.112 -10.754 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.045 1.303 -10.949 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.803 2.910 -11.052 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.923 1.964 -9.549 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.008 0.969 -9.597 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.807 1.617 -8.145 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.279 2.331 -8.715 1.00 0.00 H new ATOM 541 N ALA A 37 3.380 4.920 -12.072 1.00 0.00 N ATOM 542 CA ALA A 37 2.320 4.955 -13.072 1.00 0.00 C ATOM 543 C ALA A 37 1.435 3.717 -12.977 1.00 0.00 C ATOM 544 O ALA A 37 1.859 2.611 -13.317 1.00 0.00 O ATOM 545 CB ALA A 37 2.914 5.076 -14.467 1.00 0.00 C ATOM 0 H ALA A 37 4.209 4.398 -12.354 1.00 0.00 H new ATOM 0 HA ALA A 37 1.699 5.829 -12.877 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.111 5.101 -15.204 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.498 5.994 -14.535 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.560 4.220 -14.663 1.00 0.00 H new ATOM 551 N LEU A 38 0.205 3.908 -12.514 1.00 0.00 N ATOM 552 CA LEU A 38 -0.740 2.806 -12.374 1.00 0.00 C ATOM 553 C LEU A 38 -1.343 2.430 -13.724 1.00 0.00 C ATOM 554 O LEU A 38 -1.276 3.202 -14.681 1.00 0.00 O ATOM 555 CB LEU A 38 -1.852 3.182 -11.393 1.00 0.00 C ATOM 556 CG LEU A 38 -1.429 3.362 -9.935 1.00 0.00 C ATOM 557 CD1 LEU A 38 -2.543 4.015 -9.132 1.00 0.00 C ATOM 558 CD2 LEU A 38 -1.043 2.023 -9.323 1.00 0.00 C ATOM 0 H LEU A 38 -0.162 4.816 -12.229 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.198 1.943 -11.986 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.311 4.110 -11.734 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.621 2.411 -11.434 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.558 4.017 -9.908 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.223 4.135 -8.097 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.773 4.992 -9.556 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.433 3.386 -9.166 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.745 2.170 -8.285 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.896 1.345 -9.363 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.212 1.593 -9.882 1.00 0.00 H new ATOM 570 N ARG A 39 -1.933 1.241 -13.793 1.00 0.00 N ATOM 571 CA ARG A 39 -2.548 0.764 -15.025 1.00 0.00 C ATOM 572 C ARG A 39 -4.047 0.551 -14.837 1.00 0.00 C ATOM 573 O ARG A 39 -4.486 0.025 -13.814 1.00 0.00 O ATOM 574 CB ARG A 39 -1.890 -0.541 -15.477 1.00 0.00 C ATOM 575 CG ARG A 39 -2.257 -0.950 -16.894 1.00 0.00 C ATOM 576 CD ARG A 39 -1.447 -0.178 -17.924 1.00 0.00 C ATOM 577 NE ARG A 39 -1.665 -0.678 -19.279 1.00 0.00 N ATOM 578 CZ ARG A 39 -1.251 -0.046 -20.371 1.00 0.00 C ATOM 579 NH1 ARG A 39 -0.600 1.104 -20.269 1.00 0.00 N ATOM 580 NH2 ARG A 39 -1.487 -0.565 -21.569 1.00 0.00 N ATOM 0 H ARG A 39 -1.998 0.591 -13.010 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.399 1.523 -15.793 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.807 -0.435 -15.407 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.177 -1.339 -14.792 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.085 -2.019 -17.021 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.320 -0.776 -17.060 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.716 0.877 -17.880 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.387 -0.248 -17.678 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.163 -1.561 -19.393 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.416 1.506 -19.350 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.283 1.587 -21.110 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.987 -1.450 -21.652 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.169 -0.079 -22.407 1.00 0.00 H new ATOM 594 N ARG A 40 -4.827 0.963 -15.831 1.00 0.00 N ATOM 595 CA ARG A 40 -6.277 0.819 -15.774 1.00 0.00 C ATOM 596 C ARG A 40 -6.674 -0.651 -15.678 1.00 0.00 C ATOM 597 O ARG A 40 -6.239 -1.476 -16.481 1.00 0.00 O ATOM 598 CB ARG A 40 -6.923 1.453 -17.008 1.00 0.00 C ATOM 599 CG ARG A 40 -8.435 1.308 -17.046 1.00 0.00 C ATOM 600 CD ARG A 40 -9.042 2.104 -18.191 1.00 0.00 C ATOM 601 NE ARG A 40 -9.289 3.495 -17.821 1.00 0.00 N ATOM 602 CZ ARG A 40 -9.914 4.364 -18.606 1.00 0.00 C ATOM 603 NH1 ARG A 40 -10.355 3.988 -19.799 1.00 0.00 N ATOM 604 NH2 ARG A 40 -10.101 5.613 -18.198 1.00 0.00 N ATOM 0 H ARG A 40 -4.479 1.399 -16.685 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.633 1.333 -14.881 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.667 2.512 -17.038 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.500 0.998 -17.903 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.698 0.256 -17.153 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.858 1.648 -16.101 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.372 2.071 -19.050 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.979 1.639 -18.499 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.963 3.816 -16.909 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.214 3.029 -20.116 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.835 4.658 -20.400 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.764 5.906 -17.281 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.581 6.280 -18.802 1.00 0.00 H new ATOM 618 N ASN A 41 -7.503 -0.972 -14.689 1.00 0.00 N ATOM 619 CA ASN A 41 -7.958 -2.343 -14.487 1.00 0.00 C ATOM 620 C ASN A 41 -6.786 -3.261 -14.153 1.00 0.00 C ATOM 621 O ASN A 41 -6.586 -4.288 -14.800 1.00 0.00 O ATOM 622 CB ASN A 41 -8.679 -2.852 -15.737 1.00 0.00 C ATOM 623 CG ASN A 41 -10.161 -2.535 -15.719 1.00 0.00 C ATOM 624 OD1 ASN A 41 -10.915 -3.084 -14.914 1.00 0.00 O ATOM 625 ND2 ASN A 41 -10.587 -1.646 -16.608 1.00 0.00 N ATOM 0 H ASN A 41 -7.873 -0.301 -14.015 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.653 -2.349 -13.647 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.225 -2.405 -16.622 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.542 -3.930 -15.818 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.574 -1.393 -16.643 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.927 -1.216 -17.256 1.00 0.00 H new ATOM 632 N GLU A 42 -6.016 -2.882 -13.137 1.00 0.00 N ATOM 633 CA GLU A 42 -4.864 -3.672 -12.717 1.00 0.00 C ATOM 634 C GLU A 42 -4.713 -3.648 -11.199 1.00 0.00 C ATOM 635 O GLU A 42 -4.785 -2.590 -10.575 1.00 0.00 O ATOM 636 CB GLU A 42 -3.588 -3.144 -13.376 1.00 0.00 C ATOM 637 CG GLU A 42 -3.342 -3.709 -14.765 1.00 0.00 C ATOM 638 CD GLU A 42 -3.264 -5.224 -14.773 1.00 0.00 C ATOM 639 OE1 GLU A 42 -2.920 -5.805 -13.722 1.00 0.00 O ATOM 640 OE2 GLU A 42 -3.546 -5.827 -15.829 1.00 0.00 O ATOM 0 H GLU A 42 -6.169 -2.034 -12.591 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.027 -4.702 -13.033 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.645 -2.057 -13.440 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.735 -3.382 -12.740 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.142 -3.387 -15.431 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.413 -3.299 -15.161 1.00 0.00 H new ATOM 647 N GLU A 43 -4.503 -4.823 -10.612 1.00 0.00 N ATOM 648 CA GLU A 43 -4.343 -4.936 -9.168 1.00 0.00 C ATOM 649 C GLU A 43 -2.924 -4.566 -8.746 1.00 0.00 C ATOM 650 O GLU A 43 -2.011 -4.524 -9.572 1.00 0.00 O ATOM 651 CB GLU A 43 -4.669 -6.358 -8.706 1.00 0.00 C ATOM 652 CG GLU A 43 -5.983 -6.890 -9.255 1.00 0.00 C ATOM 653 CD GLU A 43 -5.824 -7.556 -10.607 1.00 0.00 C ATOM 654 OE1 GLU A 43 -4.693 -7.972 -10.935 1.00 0.00 O ATOM 655 OE2 GLU A 43 -6.831 -7.663 -11.337 1.00 0.00 O ATOM 0 H GLU A 43 -4.440 -5.708 -11.114 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.037 -4.240 -8.697 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.862 -7.024 -9.010 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.705 -6.378 -7.617 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.404 -7.606 -8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.696 -6.070 -9.340 1.00 0.00 H new ATOM 662 N TYR A 44 -2.746 -4.299 -7.458 1.00 0.00 N ATOM 663 CA TYR A 44 -1.440 -3.929 -6.926 1.00 0.00 C ATOM 664 C TYR A 44 -1.318 -4.320 -5.457 1.00 0.00 C ATOM 665 O TYR A 44 -2.310 -4.348 -4.726 1.00 0.00 O ATOM 666 CB TYR A 44 -1.207 -2.426 -7.086 1.00 0.00 C ATOM 667 CG TYR A 44 -0.935 -2.003 -8.513 1.00 0.00 C ATOM 668 CD1 TYR A 44 -1.958 -1.959 -9.452 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.345 -1.650 -8.921 1.00 0.00 C ATOM 670 CE1 TYR A 44 -1.714 -1.575 -10.756 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.598 -1.263 -10.223 1.00 0.00 C ATOM 672 CZ TYR A 44 -0.435 -1.227 -11.137 1.00 0.00 C ATOM 673 OH TYR A 44 -0.187 -0.843 -12.435 1.00 0.00 O ATOM 0 H TYR A 44 -3.491 -4.332 -6.762 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.681 -4.470 -7.491 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.082 -1.890 -6.718 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.365 -2.129 -6.461 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.961 -2.230 -9.157 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.156 -1.679 -8.208 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.521 -1.547 -11.474 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.599 -0.990 -10.524 1.00 0.00 H new ATOM 0 HH TYR A 44 0.677 -1.205 -12.724 1.00 0.00 H new ATOM 683 N CYS A 45 -0.097 -4.621 -5.030 1.00 0.00 N ATOM 684 CA CYS A 45 0.156 -5.011 -3.648 1.00 0.00 C ATOM 685 C CYS A 45 0.635 -3.819 -2.826 1.00 0.00 C ATOM 686 O CYS A 45 1.798 -3.422 -2.907 1.00 0.00 O ATOM 687 CB CYS A 45 1.194 -6.133 -3.594 1.00 0.00 C ATOM 688 SG CYS A 45 2.557 -5.934 -4.765 1.00 0.00 S ATOM 0 H CYS A 45 0.734 -4.602 -5.621 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.780 -5.371 -3.221 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.601 -6.188 -2.585 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.697 -7.083 -3.790 1.00 0.00 H new ATOM 0 HG CYS A 45 2.448 -4.787 -5.366 1.00 0.00 H new ATOM 694 N LEU A 46 -0.269 -3.251 -2.035 1.00 0.00 N ATOM 695 CA LEU A 46 0.060 -2.102 -1.199 1.00 0.00 C ATOM 696 C LEU A 46 1.254 -2.407 -0.301 1.00 0.00 C ATOM 697 O LEU A 46 1.302 -3.449 0.356 1.00 0.00 O ATOM 698 CB LEU A 46 -1.146 -1.706 -0.345 1.00 0.00 C ATOM 699 CG LEU A 46 -0.907 -0.597 0.680 1.00 0.00 C ATOM 700 CD1 LEU A 46 -0.874 0.762 -0.002 1.00 0.00 C ATOM 701 CD2 LEU A 46 -1.980 -0.628 1.759 1.00 0.00 C ATOM 0 H LEU A 46 -1.235 -3.568 -1.955 1.00 0.00 H new ATOM 0 HA LEU A 46 0.323 -1.271 -1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.950 -1.391 -1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.498 -2.592 0.183 1.00 0.00 H new ATOM 0 HG LEU A 46 0.060 -0.767 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.703 1.539 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.069 0.781 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.826 0.942 -0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.794 0.168 2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.959 -0.483 1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.956 -1.591 2.268 1.00 0.00 H new ATOM 713 N LEU A 47 2.217 -1.492 -0.274 1.00 0.00 N ATOM 714 CA LEU A 47 3.412 -1.662 0.546 1.00 0.00 C ATOM 715 C LEU A 47 3.258 -0.950 1.886 1.00 0.00 C ATOM 716 O LEU A 47 3.458 -1.547 2.944 1.00 0.00 O ATOM 717 CB LEU A 47 4.640 -1.126 -0.191 1.00 0.00 C ATOM 718 CG LEU A 47 4.959 -1.786 -1.533 1.00 0.00 C ATOM 719 CD1 LEU A 47 6.177 -1.136 -2.171 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.182 -3.280 -1.353 1.00 0.00 C ATOM 0 H LEU A 47 2.194 -0.625 -0.810 1.00 0.00 H new ATOM 0 HA LEU A 47 3.545 -2.727 0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.501 -0.058 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.507 -1.236 0.461 1.00 0.00 H new ATOM 0 HG LEU A 47 4.107 -1.644 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.389 -1.619 -3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.980 -0.077 -2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.036 -1.246 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.408 -3.733 -2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.017 -3.444 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.282 -3.735 -0.940 1.00 0.00 H new ATOM 732 N ASP A 48 2.899 0.328 1.833 1.00 0.00 N ATOM 733 CA ASP A 48 2.715 1.121 3.043 1.00 0.00 C ATOM 734 C ASP A 48 1.619 2.165 2.848 1.00 0.00 C ATOM 735 O ASP A 48 1.417 2.667 1.742 1.00 0.00 O ATOM 736 CB ASP A 48 4.025 1.806 3.435 1.00 0.00 C ATOM 737 CG ASP A 48 3.815 2.934 4.425 1.00 0.00 C ATOM 738 OD1 ASP A 48 3.455 2.646 5.585 1.00 0.00 O ATOM 739 OD2 ASP A 48 4.011 4.106 4.039 1.00 0.00 O ATOM 0 H ASP A 48 2.730 0.837 0.965 1.00 0.00 H new ATOM 0 HA ASP A 48 2.412 0.448 3.845 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.702 1.069 3.867 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.509 2.197 2.540 1.00 0.00 H new ATOM 744 N SER A 49 0.915 2.486 3.928 1.00 0.00 N ATOM 745 CA SER A 49 -0.163 3.466 3.874 1.00 0.00 C ATOM 746 C SER A 49 0.068 4.584 4.886 1.00 0.00 C ATOM 747 O SER A 49 -0.870 5.065 5.522 1.00 0.00 O ATOM 748 CB SER A 49 -1.509 2.790 4.143 1.00 0.00 C ATOM 749 OG SER A 49 -1.481 2.064 5.359 1.00 0.00 O ATOM 0 H SER A 49 1.072 2.082 4.851 1.00 0.00 H new ATOM 0 HA SER A 49 -0.176 3.901 2.875 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.296 3.543 4.184 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.753 2.118 3.320 1.00 0.00 H new ATOM 0 HG SER A 49 -2.353 1.643 5.509 1.00 0.00 H new ATOM 755 N SER A 50 1.325 4.994 5.029 1.00 0.00 N ATOM 756 CA SER A 50 1.682 6.053 5.965 1.00 0.00 C ATOM 757 C SER A 50 0.860 7.311 5.702 1.00 0.00 C ATOM 758 O SER A 50 0.343 7.932 6.629 1.00 0.00 O ATOM 759 CB SER A 50 3.174 6.373 5.861 1.00 0.00 C ATOM 760 OG SER A 50 3.493 7.556 6.573 1.00 0.00 O ATOM 0 H SER A 50 2.113 4.608 4.508 1.00 0.00 H new ATOM 0 HA SER A 50 1.463 5.702 6.973 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.756 5.540 6.255 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.452 6.489 4.813 1.00 0.00 H new ATOM 0 HG SER A 50 3.518 8.314 5.953 1.00 0.00 H new ATOM 766 N GLU A 51 0.746 7.680 4.429 1.00 0.00 N ATOM 767 CA GLU A 51 -0.012 8.864 4.044 1.00 0.00 C ATOM 768 C GLU A 51 -1.427 8.488 3.613 1.00 0.00 C ATOM 769 O GLU A 51 -1.713 7.324 3.331 1.00 0.00 O ATOM 770 CB GLU A 51 0.698 9.604 2.908 1.00 0.00 C ATOM 771 CG GLU A 51 1.780 10.558 3.387 1.00 0.00 C ATOM 772 CD GLU A 51 3.088 9.853 3.688 1.00 0.00 C ATOM 773 OE1 GLU A 51 3.587 9.127 2.804 1.00 0.00 O ATOM 774 OE2 GLU A 51 3.612 10.027 4.808 1.00 0.00 O ATOM 0 H GLU A 51 1.168 7.177 3.649 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.077 9.520 4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.142 8.874 2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.040 10.164 2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.949 11.321 2.627 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.434 11.073 4.283 1.00 0.00 H new ATOM 781 N ILE A 52 -2.308 9.482 3.565 1.00 0.00 N ATOM 782 CA ILE A 52 -3.693 9.256 3.169 1.00 0.00 C ATOM 783 C ILE A 52 -3.892 9.537 1.683 1.00 0.00 C ATOM 784 O ILE A 52 -4.350 8.674 0.934 1.00 0.00 O ATOM 785 CB ILE A 52 -4.661 10.136 3.981 1.00 0.00 C ATOM 786 CG1 ILE A 52 -4.464 9.902 5.480 1.00 0.00 C ATOM 787 CG2 ILE A 52 -6.100 9.850 3.579 1.00 0.00 C ATOM 788 CD1 ILE A 52 -5.009 11.018 6.343 1.00 0.00 C ATOM 0 H ILE A 52 -2.088 10.451 3.795 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.913 8.208 3.371 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.445 11.182 3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.949 8.967 5.760 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.400 9.783 5.684 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.773 10.480 4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.231 10.064 2.518 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.329 8.801 3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.834 10.784 7.393 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.506 11.952 6.091 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.080 11.123 6.168 1.00 0.00 H new ATOM 800 N HIS A 53 -3.543 10.749 1.264 1.00 0.00 N ATOM 801 CA HIS A 53 -3.681 11.143 -0.134 1.00 0.00 C ATOM 802 C HIS A 53 -2.705 10.370 -1.015 1.00 0.00 C ATOM 803 O HIS A 53 -3.043 9.969 -2.129 1.00 0.00 O ATOM 804 CB HIS A 53 -3.446 12.646 -0.288 1.00 0.00 C ATOM 805 CG HIS A 53 -4.101 13.467 0.780 1.00 0.00 C ATOM 806 ND1 HIS A 53 -5.453 13.739 0.797 1.00 0.00 N ATOM 807 CD2 HIS A 53 -3.582 14.075 1.873 1.00 0.00 C ATOM 808 CE1 HIS A 53 -5.737 14.481 1.853 1.00 0.00 C ATOM 809 NE2 HIS A 53 -4.619 14.698 2.522 1.00 0.00 N ATOM 0 H HIS A 53 -3.163 11.475 1.872 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.696 10.907 -0.454 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.374 12.841 -0.278 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.819 12.966 -1.261 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.546 14.071 2.177 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.716 14.848 2.123 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.539 15.241 3.382 1.00 0.00 H new ATOM 818 N TRP A 54 -1.494 10.167 -0.510 1.00 0.00 N ATOM 819 CA TRP A 54 -0.468 9.443 -1.253 1.00 0.00 C ATOM 820 C TRP A 54 -0.234 8.061 -0.652 1.00 0.00 C ATOM 821 O TRP A 54 0.073 7.933 0.533 1.00 0.00 O ATOM 822 CB TRP A 54 0.840 10.236 -1.262 1.00 0.00 C ATOM 823 CG TRP A 54 0.691 11.620 -1.817 1.00 0.00 C ATOM 824 CD1 TRP A 54 0.867 12.796 -1.144 1.00 0.00 C ATOM 825 CD2 TRP A 54 0.334 11.972 -3.158 1.00 0.00 C ATOM 826 NE1 TRP A 54 0.640 13.858 -1.987 1.00 0.00 N ATOM 827 CE2 TRP A 54 0.312 13.379 -3.228 1.00 0.00 C ATOM 828 CE3 TRP A 54 0.032 11.236 -4.306 1.00 0.00 C ATOM 829 CZ2 TRP A 54 0.000 14.061 -4.401 1.00 0.00 C ATOM 830 CZ3 TRP A 54 -0.279 11.914 -5.470 1.00 0.00 C ATOM 831 CH2 TRP A 54 -0.292 13.315 -5.510 1.00 0.00 C ATOM 0 H TRP A 54 -1.198 10.493 0.410 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.817 9.319 -2.278 1.00 0.00 H new ATOM 0 HB2 TRP A 54 1.225 10.300 -0.244 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.581 9.694 -1.850 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.144 12.879 -0.103 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.705 14.843 -1.730 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.041 10.156 -4.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.011 15.140 -4.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.516 11.355 -6.363 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.537 13.816 -6.435 1.00 0.00 H new ATOM 842 N TRP A 55 -0.381 7.030 -1.476 1.00 0.00 N ATOM 843 CA TRP A 55 -0.185 5.657 -1.025 1.00 0.00 C ATOM 844 C TRP A 55 0.975 5.001 -1.765 1.00 0.00 C ATOM 845 O TRP A 55 1.175 5.234 -2.957 1.00 0.00 O ATOM 846 CB TRP A 55 -1.464 4.843 -1.232 1.00 0.00 C ATOM 847 CG TRP A 55 -2.389 4.880 -0.053 1.00 0.00 C ATOM 848 CD1 TRP A 55 -2.292 5.694 1.039 1.00 0.00 C ATOM 849 CD2 TRP A 55 -3.549 4.067 0.151 1.00 0.00 C ATOM 850 NE1 TRP A 55 -3.323 5.436 1.911 1.00 0.00 N ATOM 851 CE2 TRP A 55 -4.108 4.442 1.389 1.00 0.00 C ATOM 852 CE3 TRP A 55 -4.172 3.060 -0.591 1.00 0.00 C ATOM 853 CZ2 TRP A 55 -5.258 3.844 1.898 1.00 0.00 C ATOM 854 CZ3 TRP A 55 -5.312 2.467 -0.084 1.00 0.00 C ATOM 855 CH2 TRP A 55 -5.846 2.861 1.150 1.00 0.00 C ATOM 0 H TRP A 55 -0.635 7.119 -2.460 1.00 0.00 H new ATOM 0 HA TRP A 55 0.054 5.681 0.038 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -1.989 5.222 -2.109 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -1.197 3.807 -1.443 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -1.519 6.432 1.195 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -3.478 5.908 2.802 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.769 2.751 -1.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.671 4.145 2.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.800 1.686 -0.649 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.740 2.379 1.518 1.00 0.00 H new ATOM 866 N ARG A 56 1.738 4.179 -1.051 1.00 0.00 N ATOM 867 CA ARG A 56 2.879 3.490 -1.641 1.00 0.00 C ATOM 868 C ARG A 56 2.531 2.039 -1.963 1.00 0.00 C ATOM 869 O ARG A 56 2.352 1.218 -1.063 1.00 0.00 O ATOM 870 CB ARG A 56 4.078 3.540 -0.692 1.00 0.00 C ATOM 871 CG ARG A 56 5.383 3.103 -1.337 1.00 0.00 C ATOM 872 CD ARG A 56 6.579 3.445 -0.461 1.00 0.00 C ATOM 873 NE ARG A 56 7.826 3.460 -1.220 1.00 0.00 N ATOM 874 CZ ARG A 56 9.028 3.374 -0.660 1.00 0.00 C ATOM 875 NH1 ARG A 56 9.144 3.268 0.656 1.00 0.00 N ATOM 876 NH2 ARG A 56 10.117 3.395 -1.418 1.00 0.00 N ATOM 0 H ARG A 56 1.586 3.974 -0.063 1.00 0.00 H new ATOM 0 HA ARG A 56 3.138 3.998 -2.570 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.191 4.557 -0.316 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.876 2.902 0.169 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.359 2.028 -1.518 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.491 3.588 -2.307 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.424 4.420 0.000 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.656 2.718 0.348 1.00 0.00 H new ATOM 0 HE ARG A 56 7.772 3.541 -2.235 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.309 3.252 1.242 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.068 3.202 1.083 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.032 3.477 -2.431 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.039 3.329 -0.988 1.00 0.00 H new ATOM 890 N VAL A 57 2.437 1.731 -3.252 1.00 0.00 N ATOM 891 CA VAL A 57 2.112 0.380 -3.693 1.00 0.00 C ATOM 892 C VAL A 57 3.192 -0.172 -4.617 1.00 0.00 C ATOM 893 O VAL A 57 4.025 0.576 -5.129 1.00 0.00 O ATOM 894 CB VAL A 57 0.757 0.339 -4.424 1.00 0.00 C ATOM 895 CG1 VAL A 57 -0.338 0.939 -3.554 1.00 0.00 C ATOM 896 CG2 VAL A 57 0.849 1.068 -5.757 1.00 0.00 C ATOM 0 H VAL A 57 2.581 2.399 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 57 2.053 -0.239 -2.798 1.00 0.00 H new ATOM 0 HB VAL A 57 0.502 -0.702 -4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.288 0.901 -4.087 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.419 0.371 -2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.092 1.976 -3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.117 1.029 -6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.127 2.108 -5.585 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.603 0.590 -6.382 1.00 0.00 H new ATOM 906 N GLN A 58 3.171 -1.484 -4.826 1.00 0.00 N ATOM 907 CA GLN A 58 4.149 -2.136 -5.688 1.00 0.00 C ATOM 908 C GLN A 58 3.471 -2.769 -6.899 1.00 0.00 C ATOM 909 O GLN A 58 2.504 -3.518 -6.760 1.00 0.00 O ATOM 910 CB GLN A 58 4.921 -3.200 -4.906 1.00 0.00 C ATOM 911 CG GLN A 58 5.976 -3.917 -5.733 1.00 0.00 C ATOM 912 CD GLN A 58 6.691 -5.002 -4.953 1.00 0.00 C ATOM 913 OE1 GLN A 58 6.235 -6.144 -4.895 1.00 0.00 O ATOM 914 NE2 GLN A 58 7.820 -4.651 -4.347 1.00 0.00 N ATOM 0 H GLN A 58 2.487 -2.116 -4.410 1.00 0.00 H new ATOM 0 HA GLN A 58 4.847 -1.377 -6.041 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.401 -2.731 -4.047 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.217 -3.934 -4.515 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.506 -4.357 -6.612 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.706 -3.191 -6.091 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.162 -3.693 -4.421 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.345 -5.340 -3.808 1.00 0.00 H new ATOM 923 N ASP A 59 3.985 -2.464 -8.085 1.00 0.00 N ATOM 924 CA ASP A 59 3.430 -3.004 -9.321 1.00 0.00 C ATOM 925 C ASP A 59 3.647 -4.512 -9.401 1.00 0.00 C ATOM 926 O ASP A 59 4.387 -5.086 -8.601 1.00 0.00 O ATOM 927 CB ASP A 59 4.064 -2.320 -10.532 1.00 0.00 C ATOM 928 CG ASP A 59 3.455 -2.780 -11.842 1.00 0.00 C ATOM 929 OD1 ASP A 59 2.326 -2.349 -12.155 1.00 0.00 O ATOM 930 OD2 ASP A 59 4.108 -3.572 -12.554 1.00 0.00 O ATOM 0 H ASP A 59 4.785 -1.846 -8.217 1.00 0.00 H new ATOM 0 HA ASP A 59 2.358 -2.809 -9.324 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.946 -1.240 -10.439 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.135 -2.524 -10.541 1.00 0.00 H new ATOM 935 N ARG A 60 2.998 -5.148 -10.370 1.00 0.00 N ATOM 936 CA ARG A 60 3.118 -6.589 -10.553 1.00 0.00 C ATOM 937 C ARG A 60 4.518 -6.961 -11.033 1.00 0.00 C ATOM 938 O ARG A 60 5.044 -8.018 -10.687 1.00 0.00 O ATOM 939 CB ARG A 60 2.075 -7.087 -11.555 1.00 0.00 C ATOM 940 CG ARG A 60 2.169 -6.416 -12.916 1.00 0.00 C ATOM 941 CD ARG A 60 1.589 -7.296 -14.012 1.00 0.00 C ATOM 942 NE ARG A 60 2.103 -6.938 -15.331 1.00 0.00 N ATOM 943 CZ ARG A 60 1.725 -5.852 -15.997 1.00 0.00 C ATOM 944 NH1 ARG A 60 0.835 -5.023 -15.470 1.00 0.00 N ATOM 945 NH2 ARG A 60 2.239 -5.595 -17.194 1.00 0.00 N ATOM 0 H ARG A 60 2.383 -4.688 -11.041 1.00 0.00 H new ATOM 0 HA ARG A 60 2.943 -7.068 -9.589 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.190 -8.164 -11.681 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.079 -6.919 -11.144 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.637 -5.465 -12.892 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.212 -6.192 -13.141 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.825 -8.339 -13.802 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.503 -7.208 -14.010 1.00 0.00 H new ATOM 0 HE ARG A 60 2.790 -7.555 -15.765 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.438 -5.218 -14.551 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.547 -4.190 -15.984 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.924 -6.231 -17.602 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.949 -4.761 -17.705 1.00 0.00 H new ATOM 959 N ASN A 61 5.116 -6.084 -11.834 1.00 0.00 N ATOM 960 CA ASN A 61 6.454 -6.321 -12.363 1.00 0.00 C ATOM 961 C ASN A 61 7.500 -6.234 -11.255 1.00 0.00 C ATOM 962 O ASN A 61 8.326 -7.132 -11.096 1.00 0.00 O ATOM 963 CB ASN A 61 6.776 -5.308 -13.464 1.00 0.00 C ATOM 964 CG ASN A 61 6.336 -5.785 -14.835 1.00 0.00 C ATOM 965 OD1 ASN A 61 6.303 -6.986 -15.105 1.00 0.00 O ATOM 966 ND2 ASN A 61 5.996 -4.844 -15.707 1.00 0.00 N ATOM 0 H ASN A 61 4.695 -5.204 -12.130 1.00 0.00 H new ATOM 0 HA ASN A 61 6.479 -7.326 -12.784 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.286 -4.361 -13.237 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.849 -5.117 -13.476 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.692 -5.104 -16.645 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.039 -3.861 -15.439 1.00 0.00 H new ATOM 973 N GLY A 62 7.457 -5.147 -10.492 1.00 0.00 N ATOM 974 CA GLY A 62 8.405 -4.963 -9.408 1.00 0.00 C ATOM 975 C GLY A 62 8.787 -3.509 -9.213 1.00 0.00 C ATOM 976 O GLY A 62 9.921 -3.202 -8.845 1.00 0.00 O ATOM 0 H GLY A 62 6.783 -4.390 -10.605 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.975 -5.350 -8.484 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.302 -5.547 -9.611 1.00 0.00 H new ATOM 980 N HIS A 63 7.838 -2.611 -9.459 1.00 0.00 N ATOM 981 CA HIS A 63 8.082 -1.181 -9.309 1.00 0.00 C ATOM 982 C HIS A 63 7.284 -0.614 -8.138 1.00 0.00 C ATOM 983 O HIS A 63 6.475 -1.315 -7.530 1.00 0.00 O ATOM 984 CB HIS A 63 7.716 -0.442 -10.596 1.00 0.00 C ATOM 985 CG HIS A 63 8.119 -1.171 -11.841 1.00 0.00 C ATOM 986 ND1 HIS A 63 7.464 -1.022 -13.045 1.00 0.00 N ATOM 987 CD2 HIS A 63 9.117 -2.057 -12.064 1.00 0.00 C ATOM 988 CE1 HIS A 63 8.041 -1.787 -13.955 1.00 0.00 C ATOM 989 NE2 HIS A 63 9.048 -2.425 -13.385 1.00 0.00 N ATOM 0 H HIS A 63 6.894 -2.848 -9.763 1.00 0.00 H new ATOM 0 HA HIS A 63 9.143 -1.038 -9.106 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.639 -0.275 -10.615 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.191 0.539 -10.589 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.835 -2.409 -11.338 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.741 -1.876 -14.989 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.672 -3.084 -13.851 1.00 0.00 H new ATOM 998 N GLU A 64 7.518 0.657 -7.829 1.00 0.00 N ATOM 999 CA GLU A 64 6.821 1.316 -6.730 1.00 0.00 C ATOM 1000 C GLU A 64 6.800 2.829 -6.929 1.00 0.00 C ATOM 1001 O GLU A 64 7.454 3.357 -7.827 1.00 0.00 O ATOM 1002 CB GLU A 64 7.489 0.975 -5.396 1.00 0.00 C ATOM 1003 CG GLU A 64 8.037 -0.441 -5.335 1.00 0.00 C ATOM 1004 CD GLU A 64 8.862 -0.693 -4.087 1.00 0.00 C ATOM 1005 OE1 GLU A 64 8.926 0.208 -3.225 1.00 0.00 O ATOM 1006 OE2 GLU A 64 9.442 -1.793 -3.973 1.00 0.00 O ATOM 0 H GLU A 64 8.184 1.251 -8.323 1.00 0.00 H new ATOM 0 HA GLU A 64 5.793 0.954 -6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.302 1.678 -5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.766 1.111 -4.592 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.209 -1.149 -5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.651 -0.627 -6.216 1.00 0.00 H new ATOM 1013 N GLY A 65 6.043 3.521 -6.083 1.00 0.00 N ATOM 1014 CA GLY A 65 5.949 4.965 -6.181 1.00 0.00 C ATOM 1015 C GLY A 65 4.678 5.508 -5.560 1.00 0.00 C ATOM 1016 O GLY A 65 3.660 4.817 -5.509 1.00 0.00 O ATOM 0 H GLY A 65 5.493 3.106 -5.331 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.811 5.416 -5.689 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.991 5.258 -7.230 1.00 0.00 H new ATOM 1020 N TYR A 66 4.735 6.747 -5.085 1.00 0.00 N ATOM 1021 CA TYR A 66 3.581 7.381 -4.460 1.00 0.00 C ATOM 1022 C TYR A 66 2.476 7.630 -5.482 1.00 0.00 C ATOM 1023 O TYR A 66 2.708 8.236 -6.529 1.00 0.00 O ATOM 1024 CB TYR A 66 3.990 8.700 -3.802 1.00 0.00 C ATOM 1025 CG TYR A 66 5.004 8.534 -2.693 1.00 0.00 C ATOM 1026 CD1 TYR A 66 4.737 7.722 -1.597 1.00 0.00 C ATOM 1027 CD2 TYR A 66 6.228 9.190 -2.740 1.00 0.00 C ATOM 1028 CE1 TYR A 66 5.660 7.569 -0.581 1.00 0.00 C ATOM 1029 CE2 TYR A 66 7.157 9.041 -1.729 1.00 0.00 C ATOM 1030 CZ TYR A 66 6.869 8.230 -0.651 1.00 0.00 C ATOM 1031 OH TYR A 66 7.791 8.080 0.359 1.00 0.00 O ATOM 0 H TYR A 66 5.569 7.333 -5.121 1.00 0.00 H new ATOM 0 HA TYR A 66 3.198 6.705 -3.695 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.401 9.364 -4.563 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.101 9.187 -3.401 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.792 7.202 -1.539 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.457 9.827 -3.581 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.436 6.935 0.264 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.104 9.557 -1.782 1.00 0.00 H new ATOM 0 HH TYR A 66 8.589 8.612 0.155 1.00 0.00 H new ATOM 1041 N VAL A 67 1.273 7.159 -5.171 1.00 0.00 N ATOM 1042 CA VAL A 67 0.130 7.332 -6.060 1.00 0.00 C ATOM 1043 C VAL A 67 -1.092 7.825 -5.295 1.00 0.00 C ATOM 1044 O VAL A 67 -1.231 7.609 -4.090 1.00 0.00 O ATOM 1045 CB VAL A 67 -0.224 6.017 -6.780 1.00 0.00 C ATOM 1046 CG1 VAL A 67 0.767 5.737 -7.899 1.00 0.00 C ATOM 1047 CG2 VAL A 67 -0.264 4.862 -5.791 1.00 0.00 C ATOM 0 H VAL A 67 1.064 6.654 -4.310 1.00 0.00 H new ATOM 0 HA VAL A 67 0.415 8.078 -6.801 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.215 6.121 -7.222 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.501 4.804 -8.396 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.741 6.553 -8.621 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.771 5.653 -7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.516 3.941 -6.317 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.712 4.754 -5.318 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.017 5.062 -5.029 1.00 0.00 H new ATOM 1057 N PRO A 68 -2.003 8.504 -6.008 1.00 0.00 N ATOM 1058 CA PRO A 68 -3.232 9.041 -5.417 1.00 0.00 C ATOM 1059 C PRO A 68 -4.214 7.944 -5.024 1.00 0.00 C ATOM 1060 O PRO A 68 -4.838 7.319 -5.882 1.00 0.00 O ATOM 1061 CB PRO A 68 -3.816 9.906 -6.537 1.00 0.00 C ATOM 1062 CG PRO A 68 -3.271 9.318 -7.792 1.00 0.00 C ATOM 1063 CD PRO A 68 -1.903 8.799 -7.447 1.00 0.00 C ATOM 0 HA PRO A 68 -3.035 9.589 -4.495 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.906 9.882 -6.529 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.520 10.949 -6.427 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.912 8.516 -8.157 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.216 10.067 -8.582 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.654 7.908 -8.023 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.129 9.538 -7.653 1.00 0.00 H new ATOM 1071 N SER A 69 -4.348 7.714 -3.722 1.00 0.00 N ATOM 1072 CA SER A 69 -5.253 6.688 -3.216 1.00 0.00 C ATOM 1073 C SER A 69 -6.562 6.684 -4.000 1.00 0.00 C ATOM 1074 O SER A 69 -7.204 5.644 -4.152 1.00 0.00 O ATOM 1075 CB SER A 69 -5.537 6.917 -1.730 1.00 0.00 C ATOM 1076 OG SER A 69 -6.490 7.949 -1.545 1.00 0.00 O ATOM 0 H SER A 69 -3.842 8.224 -2.998 1.00 0.00 H new ATOM 0 HA SER A 69 -4.771 5.719 -3.342 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.904 5.994 -1.281 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.612 7.176 -1.216 1.00 0.00 H new ATOM 0 HG SER A 69 -6.655 8.074 -0.587 1.00 0.00 H new ATOM 1082 N SER A 70 -6.952 7.854 -4.495 1.00 0.00 N ATOM 1083 CA SER A 70 -8.186 7.987 -5.260 1.00 0.00 C ATOM 1084 C SER A 70 -8.272 6.916 -6.343 1.00 0.00 C ATOM 1085 O SER A 70 -9.284 6.227 -6.471 1.00 0.00 O ATOM 1086 CB SER A 70 -8.271 9.377 -5.894 1.00 0.00 C ATOM 1087 OG SER A 70 -8.656 10.351 -4.939 1.00 0.00 O ATOM 0 H SER A 70 -6.431 8.723 -4.380 1.00 0.00 H new ATOM 0 HA SER A 70 -9.024 7.856 -4.576 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.305 9.645 -6.322 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.989 9.363 -6.714 1.00 0.00 H new ATOM 0 HG SER A 70 -8.701 11.231 -5.369 1.00 0.00 H new ATOM 1093 N TYR A 71 -7.203 6.783 -7.120 1.00 0.00 N ATOM 1094 CA TYR A 71 -7.157 5.798 -8.195 1.00 0.00 C ATOM 1095 C TYR A 71 -7.213 4.380 -7.636 1.00 0.00 C ATOM 1096 O TYR A 71 -7.923 3.521 -8.160 1.00 0.00 O ATOM 1097 CB TYR A 71 -5.887 5.980 -9.028 1.00 0.00 C ATOM 1098 CG TYR A 71 -5.947 7.159 -9.973 1.00 0.00 C ATOM 1099 CD1 TYR A 71 -6.388 8.402 -9.537 1.00 0.00 C ATOM 1100 CD2 TYR A 71 -5.564 7.030 -11.302 1.00 0.00 C ATOM 1101 CE1 TYR A 71 -6.445 9.482 -10.397 1.00 0.00 C ATOM 1102 CE2 TYR A 71 -5.616 8.104 -12.169 1.00 0.00 C ATOM 1103 CZ TYR A 71 -6.058 9.328 -11.711 1.00 0.00 C ATOM 1104 OH TYR A 71 -6.113 10.401 -12.572 1.00 0.00 O ATOM 0 H TYR A 71 -6.357 7.345 -7.026 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.027 5.953 -8.833 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.037 6.106 -8.357 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.707 5.072 -9.604 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.692 8.526 -8.508 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.219 6.073 -11.664 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.791 10.441 -10.042 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.313 7.986 -13.199 1.00 0.00 H new ATOM 0 HH TYR A 71 -5.805 10.124 -13.460 1.00 0.00 H new ATOM 1114 N LEU A 72 -6.459 4.141 -6.568 1.00 0.00 N ATOM 1115 CA LEU A 72 -6.422 2.827 -5.936 1.00 0.00 C ATOM 1116 C LEU A 72 -7.712 2.555 -5.170 1.00 0.00 C ATOM 1117 O LEU A 72 -8.269 3.449 -4.533 1.00 0.00 O ATOM 1118 CB LEU A 72 -5.223 2.729 -4.990 1.00 0.00 C ATOM 1119 CG LEU A 72 -3.844 2.782 -5.647 1.00 0.00 C ATOM 1120 CD1 LEU A 72 -2.754 2.884 -4.592 1.00 0.00 C ATOM 1121 CD2 LEU A 72 -3.624 1.560 -6.527 1.00 0.00 C ATOM 0 H LEU A 72 -5.865 4.840 -6.122 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.322 2.076 -6.720 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.290 3.541 -4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.302 1.796 -4.431 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.797 3.671 -6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.779 2.921 -5.078 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.900 3.790 -4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.800 2.015 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.637 1.615 -6.986 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.692 0.657 -5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.386 1.531 -7.306 1.00 0.00 H new ATOM 1133 N VAL A 73 -8.182 1.313 -5.235 1.00 0.00 N ATOM 1134 CA VAL A 73 -9.406 0.921 -4.545 1.00 0.00 C ATOM 1135 C VAL A 73 -9.218 -0.395 -3.800 1.00 0.00 C ATOM 1136 O VAL A 73 -8.689 -1.360 -4.349 1.00 0.00 O ATOM 1137 CB VAL A 73 -10.583 0.779 -5.528 1.00 0.00 C ATOM 1138 CG1 VAL A 73 -10.553 1.894 -6.563 1.00 0.00 C ATOM 1139 CG2 VAL A 73 -10.554 -0.585 -6.200 1.00 0.00 C ATOM 0 H VAL A 73 -7.734 0.561 -5.758 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.634 1.711 -3.829 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.514 0.862 -4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.392 1.777 -7.249 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.627 2.859 -6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.618 1.846 -7.122 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.393 -0.668 -6.891 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.619 -0.701 -6.748 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.629 -1.365 -5.443 1.00 0.00 H new ATOM 1149 N GLU A 74 -9.658 -0.426 -2.545 1.00 0.00 N ATOM 1150 CA GLU A 74 -9.538 -1.625 -1.724 1.00 0.00 C ATOM 1151 C GLU A 74 -10.409 -2.751 -2.274 1.00 0.00 C ATOM 1152 O GLU A 74 -11.631 -2.734 -2.128 1.00 0.00 O ATOM 1153 CB GLU A 74 -9.932 -1.321 -0.277 1.00 0.00 C ATOM 1154 CG GLU A 74 -9.214 -2.187 0.744 1.00 0.00 C ATOM 1155 CD GLU A 74 -9.878 -2.152 2.107 1.00 0.00 C ATOM 1156 OE1 GLU A 74 -10.352 -1.069 2.508 1.00 0.00 O ATOM 1157 OE2 GLU A 74 -9.923 -3.208 2.772 1.00 0.00 O ATOM 0 H GLU A 74 -10.100 0.365 -2.076 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.497 -1.949 -1.749 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.721 -0.273 -0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.008 -1.459 -0.166 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.183 -3.216 0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.181 -1.851 0.838 1.00 0.00 H new ATOM 1164 N LYS A 75 -9.771 -3.728 -2.909 1.00 0.00 N ATOM 1165 CA LYS A 75 -10.485 -4.863 -3.481 1.00 0.00 C ATOM 1166 C LYS A 75 -11.538 -5.390 -2.511 1.00 0.00 C ATOM 1167 O LYS A 75 -11.211 -5.865 -1.423 1.00 0.00 O ATOM 1168 CB LYS A 75 -9.503 -5.981 -3.841 1.00 0.00 C ATOM 1169 CG LYS A 75 -10.105 -7.056 -4.729 1.00 0.00 C ATOM 1170 CD LYS A 75 -9.075 -8.109 -5.106 1.00 0.00 C ATOM 1171 CE LYS A 75 -9.420 -8.777 -6.428 1.00 0.00 C ATOM 1172 NZ LYS A 75 -8.315 -9.651 -6.912 1.00 0.00 N ATOM 0 H LYS A 75 -8.760 -3.757 -3.041 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.988 -4.524 -4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.640 -5.547 -4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.138 -6.442 -2.923 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.940 -7.530 -4.213 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.508 -6.599 -5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.090 -7.647 -5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.019 -8.862 -4.320 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.327 -9.370 -6.310 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.634 -8.014 -7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.588 -10.088 -7.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.456 -9.081 -7.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.128 -10.395 -6.210 1.00 0.00 H new