USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 512 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 45 SER OG : rot -160:sc= 0.979 USER MOD Set 1.2: A 72 LYS NZ :NH3+ 170:sc= 1.24 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 33:sc= 0.274 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= -0.125 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0182 K(o=-0.018,f=-0.56) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 57 ASN : amide:sc= -1.6! C(o=-1.6!,f=-5.9!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -63:sc= 0.617 USER MOD Single : A 70 THR OG1 : rot -130:sc= -0.402 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -101:sc= 1.15 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 77:sc= 0.0381 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot -67:sc= -0.829! USER MOD ----------------------------------------------------------------- ATOM 324 N THR A 28 7.905 3.118 -0.965 1.00 0.00 N ATOM 325 CA THR A 28 7.122 2.912 -2.178 1.00 0.00 C ATOM 326 C THR A 28 5.631 3.069 -1.903 1.00 0.00 C ATOM 327 O THR A 28 5.097 2.471 -0.969 1.00 0.00 O ATOM 328 CB THR A 28 7.378 1.519 -2.782 1.00 0.00 C ATOM 329 OG1 THR A 28 8.783 1.243 -2.799 1.00 0.00 O ATOM 330 CG2 THR A 28 6.821 1.431 -4.195 1.00 0.00 C ATOM 0 HA THR A 28 7.439 3.672 -2.892 1.00 0.00 H new ATOM 0 HB THR A 28 6.871 0.780 -2.162 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.209 1.667 -2.025 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.014 0.438 -4.601 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.746 1.612 -4.174 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.303 2.180 -4.823 1.00 0.00 H new ATOM 338 N ILE A 29 4.965 3.875 -2.723 1.00 0.00 N ATOM 339 CA ILE A 29 3.534 4.107 -2.568 1.00 0.00 C ATOM 340 C ILE A 29 2.725 2.926 -3.093 1.00 0.00 C ATOM 341 O ILE A 29 3.108 2.283 -4.071 1.00 0.00 O ATOM 342 CB ILE A 29 3.089 5.386 -3.302 1.00 0.00 C ATOM 343 CG1 ILE A 29 3.497 6.626 -2.504 1.00 0.00 C ATOM 344 CG2 ILE A 29 1.585 5.369 -3.532 1.00 0.00 C ATOM 345 CD1 ILE A 29 2.798 6.742 -1.167 1.00 0.00 C ATOM 0 H ILE A 29 5.393 4.378 -3.501 1.00 0.00 H new ATOM 0 HA ILE A 29 3.347 4.226 -1.501 1.00 0.00 H new ATOM 0 HB ILE A 29 3.585 5.422 -4.272 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.574 6.605 -2.341 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.282 7.516 -3.096 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.286 6.279 -4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.319 4.502 -4.137 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.071 5.313 -2.573 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.136 7.644 -0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.721 6.795 -1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.033 5.870 -0.557 1.00 0.00 H new ATOM 357 N PHE A 30 1.603 2.647 -2.438 1.00 0.00 N ATOM 358 CA PHE A 30 0.739 1.543 -2.839 1.00 0.00 C ATOM 359 C PHE A 30 -0.730 1.896 -2.621 1.00 0.00 C ATOM 360 O PHE A 30 -1.085 2.543 -1.636 1.00 0.00 O ATOM 361 CB PHE A 30 1.093 0.278 -2.054 1.00 0.00 C ATOM 362 CG PHE A 30 2.220 -0.507 -2.659 1.00 0.00 C ATOM 363 CD1 PHE A 30 3.516 -0.016 -2.636 1.00 0.00 C ATOM 364 CD2 PHE A 30 1.985 -1.737 -3.252 1.00 0.00 C ATOM 365 CE1 PHE A 30 4.555 -0.737 -3.193 1.00 0.00 C ATOM 366 CE2 PHE A 30 3.020 -2.463 -3.811 1.00 0.00 C ATOM 367 CZ PHE A 30 4.307 -1.962 -3.781 1.00 0.00 C ATOM 0 H PHE A 30 1.271 3.170 -1.628 1.00 0.00 H new ATOM 0 HA PHE A 30 0.897 1.358 -3.902 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.361 0.556 -1.035 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.211 -0.359 -1.990 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.716 0.941 -2.177 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.981 -2.133 -3.278 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.560 -0.343 -3.169 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.823 -3.420 -4.270 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.118 -2.527 -4.217 1.00 0.00 H new ATOM 377 N VAL A 31 -1.580 1.465 -3.548 1.00 0.00 N ATOM 378 CA VAL A 31 -3.010 1.734 -3.459 1.00 0.00 C ATOM 379 C VAL A 31 -3.808 0.438 -3.369 1.00 0.00 C ATOM 380 O VAL A 31 -3.423 -0.581 -3.940 1.00 0.00 O ATOM 381 CB VAL A 31 -3.505 2.546 -4.670 1.00 0.00 C ATOM 382 CG1 VAL A 31 -4.996 2.333 -4.883 1.00 0.00 C ATOM 383 CG2 VAL A 31 -3.190 4.023 -4.486 1.00 0.00 C ATOM 0 H VAL A 31 -1.303 0.928 -4.370 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.167 2.318 -2.552 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.982 2.194 -5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.327 2.915 -5.743 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.190 1.276 -5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.540 2.656 -3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.547 4.582 -5.351 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.684 4.391 -3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.113 4.156 -4.388 1.00 0.00 H new ATOM 393 N ALA A 32 -4.923 0.486 -2.646 1.00 0.00 N ATOM 394 CA ALA A 32 -5.778 -0.684 -2.483 1.00 0.00 C ATOM 395 C ALA A 32 -6.896 -0.696 -3.520 1.00 0.00 C ATOM 396 O ALA A 32 -7.764 0.178 -3.522 1.00 0.00 O ATOM 397 CB ALA A 32 -6.359 -0.721 -1.077 1.00 0.00 C ATOM 0 H ALA A 32 -5.255 1.322 -2.164 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.167 -1.574 -2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.995 -1.599 -0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.549 -0.768 -0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.950 0.178 -0.904 1.00 0.00 H new ATOM 403 N LEU A 33 -6.868 -1.690 -4.401 1.00 0.00 N ATOM 404 CA LEU A 33 -7.880 -1.815 -5.444 1.00 0.00 C ATOM 405 C LEU A 33 -9.144 -2.473 -4.901 1.00 0.00 C ATOM 406 O LEU A 33 -10.252 -2.178 -5.350 1.00 0.00 O ATOM 407 CB LEU A 33 -7.332 -2.629 -6.618 1.00 0.00 C ATOM 408 CG LEU A 33 -5.852 -2.425 -6.943 1.00 0.00 C ATOM 409 CD1 LEU A 33 -5.382 -3.453 -7.960 1.00 0.00 C ATOM 410 CD2 LEU A 33 -5.608 -1.014 -7.457 1.00 0.00 C ATOM 0 H LEU A 33 -6.156 -2.420 -4.414 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.135 -0.813 -5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.495 -3.686 -6.409 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.915 -2.386 -7.506 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.277 -2.561 -6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.326 -3.292 -8.179 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.520 -4.455 -7.554 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.962 -3.350 -8.877 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.549 -0.887 -7.683 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.194 -0.850 -8.361 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.905 -0.293 -6.696 1.00 0.00 H new ATOM 422 N TYR A 34 -8.971 -3.364 -3.931 1.00 0.00 N ATOM 423 CA TYR A 34 -10.098 -4.064 -3.326 1.00 0.00 C ATOM 424 C TYR A 34 -10.204 -3.744 -1.839 1.00 0.00 C ATOM 425 O TYR A 34 -9.194 -3.554 -1.160 1.00 0.00 O ATOM 426 CB TYR A 34 -9.954 -5.574 -3.525 1.00 0.00 C ATOM 427 CG TYR A 34 -9.256 -5.951 -4.813 1.00 0.00 C ATOM 428 CD1 TYR A 34 -9.915 -5.867 -6.033 1.00 0.00 C ATOM 429 CD2 TYR A 34 -7.939 -6.394 -4.809 1.00 0.00 C ATOM 430 CE1 TYR A 34 -9.283 -6.211 -7.212 1.00 0.00 C ATOM 431 CE2 TYR A 34 -7.298 -6.739 -5.983 1.00 0.00 C ATOM 432 CZ TYR A 34 -7.974 -6.646 -7.182 1.00 0.00 C ATOM 433 OH TYR A 34 -7.340 -6.990 -8.353 1.00 0.00 O ATOM 0 H TYR A 34 -8.061 -3.619 -3.547 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.010 -3.724 -3.818 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.399 -5.991 -2.685 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.944 -6.030 -3.511 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.940 -5.527 -6.060 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.407 -6.470 -3.872 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.810 -6.140 -8.152 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.273 -7.080 -5.962 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.423 -7.274 -8.157 1.00 0.00 H new ATOM 443 N ASP A 35 -11.433 -3.685 -1.339 1.00 0.00 N ATOM 444 CA ASP A 35 -11.673 -3.390 0.069 1.00 0.00 C ATOM 445 C ASP A 35 -11.420 -4.621 0.934 1.00 0.00 C ATOM 446 O ASP A 35 -11.954 -5.698 0.669 1.00 0.00 O ATOM 447 CB ASP A 35 -13.105 -2.894 0.271 1.00 0.00 C ATOM 448 CG ASP A 35 -14.138 -3.910 -0.177 1.00 0.00 C ATOM 449 OD1 ASP A 35 -14.344 -4.044 -1.401 1.00 0.00 O ATOM 450 OD2 ASP A 35 -14.740 -4.569 0.696 1.00 0.00 O ATOM 0 H ASP A 35 -12.279 -3.838 -1.888 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.979 -2.606 0.374 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.261 -2.662 1.325 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.247 -1.967 -0.284 1.00 0.00 H new ATOM 455 N TYR A 36 -10.602 -4.454 1.967 1.00 0.00 N ATOM 456 CA TYR A 36 -10.276 -5.552 2.869 1.00 0.00 C ATOM 457 C TYR A 36 -10.551 -5.167 4.319 1.00 0.00 C ATOM 458 O TYR A 36 -10.782 -3.998 4.628 1.00 0.00 O ATOM 459 CB TYR A 36 -8.809 -5.955 2.706 1.00 0.00 C ATOM 460 CG TYR A 36 -8.344 -6.971 3.725 1.00 0.00 C ATOM 461 CD1 TYR A 36 -8.678 -8.313 3.599 1.00 0.00 C ATOM 462 CD2 TYR A 36 -7.570 -6.588 4.813 1.00 0.00 C ATOM 463 CE1 TYR A 36 -8.256 -9.245 4.527 1.00 0.00 C ATOM 464 CE2 TYR A 36 -7.142 -7.512 5.746 1.00 0.00 C ATOM 465 CZ TYR A 36 -7.487 -8.840 5.599 1.00 0.00 C ATOM 466 OH TYR A 36 -7.064 -9.764 6.526 1.00 0.00 O ATOM 0 H TYR A 36 -10.152 -3.569 2.201 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.910 -6.400 2.611 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.662 -6.362 1.706 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.185 -5.064 2.783 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.278 -8.634 2.760 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.298 -5.550 4.931 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.526 -10.285 4.414 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.541 -7.197 6.586 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.532 -9.315 7.216 1.00 0.00 H new ATOM 476 N GLU A 37 -10.524 -6.159 5.204 1.00 0.00 N ATOM 477 CA GLU A 37 -10.770 -5.924 6.621 1.00 0.00 C ATOM 478 C GLU A 37 -9.748 -6.663 7.481 1.00 0.00 C ATOM 479 O GLU A 37 -9.658 -7.889 7.440 1.00 0.00 O ATOM 480 CB GLU A 37 -12.185 -6.369 6.996 1.00 0.00 C ATOM 481 CG GLU A 37 -12.609 -5.941 8.391 1.00 0.00 C ATOM 482 CD GLU A 37 -13.629 -6.880 9.005 1.00 0.00 C ATOM 483 OE1 GLU A 37 -13.231 -7.968 9.469 1.00 0.00 O ATOM 484 OE2 GLU A 37 -14.826 -6.525 9.022 1.00 0.00 O ATOM 0 H GLU A 37 -10.334 -7.132 4.964 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.671 -4.855 6.808 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.889 -5.961 6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.246 -7.455 6.924 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.731 -5.893 9.035 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.027 -4.935 8.347 1.00 0.00 H new ATOM 491 N ALA A 38 -8.980 -5.906 8.258 1.00 0.00 N ATOM 492 CA ALA A 38 -7.966 -6.488 9.128 1.00 0.00 C ATOM 493 C ALA A 38 -8.557 -7.591 9.999 1.00 0.00 C ATOM 494 O ALA A 38 -9.345 -7.323 10.907 1.00 0.00 O ATOM 495 CB ALA A 38 -7.333 -5.409 9.996 1.00 0.00 C ATOM 0 H ALA A 38 -9.041 -4.889 8.303 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.195 -6.932 8.499 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.577 -5.858 10.641 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.867 -4.657 9.359 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.101 -4.939 10.610 1.00 0.00 H new ATOM 501 N ARG A 39 -8.172 -8.831 9.717 1.00 0.00 N ATOM 502 CA ARG A 39 -8.666 -9.975 10.474 1.00 0.00 C ATOM 503 C ARG A 39 -8.208 -9.904 11.928 1.00 0.00 C ATOM 504 O ARG A 39 -8.999 -10.104 12.851 1.00 0.00 O ATOM 505 CB ARG A 39 -8.183 -11.281 9.840 1.00 0.00 C ATOM 506 CG ARG A 39 -9.009 -11.717 8.641 1.00 0.00 C ATOM 507 CD ARG A 39 -8.231 -12.667 7.744 1.00 0.00 C ATOM 508 NE ARG A 39 -9.107 -13.608 7.051 1.00 0.00 N ATOM 509 CZ ARG A 39 -9.600 -14.705 7.615 1.00 0.00 C ATOM 510 NH1 ARG A 39 -9.305 -14.997 8.874 1.00 0.00 N ATOM 511 NH2 ARG A 39 -10.391 -15.512 6.920 1.00 0.00 N ATOM 0 H ARG A 39 -7.520 -9.069 8.970 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.755 -9.949 10.452 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.144 -11.163 9.532 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.205 -12.070 10.592 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.921 -12.204 8.984 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.312 -10.840 8.068 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.665 -12.092 7.011 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.507 -13.220 8.343 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.354 -13.412 6.081 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.698 -14.379 9.412 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.685 -15.840 9.305 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.621 -15.290 5.951 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.769 -16.354 7.354 1.00 0.00 H new ATOM 525 N THR A 40 -6.925 -9.618 12.126 1.00 0.00 N ATOM 526 CA THR A 40 -6.361 -9.521 13.466 1.00 0.00 C ATOM 527 C THR A 40 -5.597 -8.215 13.649 1.00 0.00 C ATOM 528 O THR A 40 -5.119 -7.622 12.681 1.00 0.00 O ATOM 529 CB THR A 40 -5.417 -10.701 13.764 1.00 0.00 C ATOM 530 OG1 THR A 40 -4.231 -10.592 12.968 1.00 0.00 O ATOM 531 CG2 THR A 40 -6.103 -12.029 13.481 1.00 0.00 C ATOM 0 H THR A 40 -6.257 -9.449 11.374 1.00 0.00 H new ATOM 0 HA THR A 40 -7.198 -9.549 14.164 1.00 0.00 H new ATOM 0 HB THR A 40 -5.151 -10.666 14.820 1.00 0.00 H new ATOM 0 HG1 THR A 40 -3.635 -11.345 13.164 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.416 -12.847 13.699 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.989 -12.122 14.109 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.396 -12.071 12.432 1.00 0.00 H new ATOM 539 N THR A 41 -5.485 -7.770 14.896 1.00 0.00 N ATOM 540 CA THR A 41 -4.779 -6.533 15.206 1.00 0.00 C ATOM 541 C THR A 41 -3.470 -6.438 14.430 1.00 0.00 C ATOM 542 O THR A 41 -3.011 -5.344 14.103 1.00 0.00 O ATOM 543 CB THR A 41 -4.479 -6.419 16.713 1.00 0.00 C ATOM 544 OG1 THR A 41 -3.729 -5.228 16.974 1.00 0.00 O ATOM 545 CG2 THR A 41 -3.702 -7.632 17.202 1.00 0.00 C ATOM 0 H THR A 41 -5.874 -8.248 15.709 1.00 0.00 H new ATOM 0 HA THR A 41 -5.434 -5.713 14.911 1.00 0.00 H new ATOM 0 HB THR A 41 -5.427 -6.375 17.248 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.544 -5.162 17.934 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.501 -7.530 18.268 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.288 -8.534 17.028 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.759 -7.702 16.660 1.00 0.00 H new ATOM 553 N GLU A 42 -2.876 -7.590 14.138 1.00 0.00 N ATOM 554 CA GLU A 42 -1.619 -7.634 13.400 1.00 0.00 C ATOM 555 C GLU A 42 -1.818 -7.174 11.959 1.00 0.00 C ATOM 556 O GLU A 42 -0.970 -6.481 11.394 1.00 0.00 O ATOM 557 CB GLU A 42 -1.040 -9.051 13.418 1.00 0.00 C ATOM 558 CG GLU A 42 -0.687 -9.545 14.811 1.00 0.00 C ATOM 559 CD GLU A 42 0.738 -9.209 15.205 1.00 0.00 C ATOM 560 OE1 GLU A 42 1.671 -9.712 14.546 1.00 0.00 O ATOM 561 OE2 GLU A 42 0.919 -8.442 16.174 1.00 0.00 O ATOM 0 H GLU A 42 -3.244 -8.504 14.401 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.918 -6.956 13.887 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.761 -9.735 12.971 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.146 -9.078 12.795 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.373 -9.104 15.534 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.827 -10.625 14.856 1.00 0.00 H new ATOM 568 N ASP A 43 -2.943 -7.563 11.369 1.00 0.00 N ATOM 569 CA ASP A 43 -3.254 -7.191 9.994 1.00 0.00 C ATOM 570 C ASP A 43 -3.672 -5.726 9.909 1.00 0.00 C ATOM 571 O ASP A 43 -4.256 -5.180 10.847 1.00 0.00 O ATOM 572 CB ASP A 43 -4.366 -8.083 9.441 1.00 0.00 C ATOM 573 CG ASP A 43 -3.843 -9.415 8.939 1.00 0.00 C ATOM 574 OD1 ASP A 43 -2.780 -9.427 8.283 1.00 0.00 O ATOM 575 OD2 ASP A 43 -4.496 -10.446 9.204 1.00 0.00 O ATOM 0 H ASP A 43 -3.655 -8.136 11.822 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.355 -7.330 9.394 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.109 -8.257 10.219 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.873 -7.565 8.627 1.00 0.00 H new ATOM 580 N LEU A 44 -3.368 -5.094 8.781 1.00 0.00 N ATOM 581 CA LEU A 44 -3.711 -3.691 8.574 1.00 0.00 C ATOM 582 C LEU A 44 -5.059 -3.558 7.874 1.00 0.00 C ATOM 583 O LEU A 44 -5.304 -4.196 6.850 1.00 0.00 O ATOM 584 CB LEU A 44 -2.625 -2.996 7.751 1.00 0.00 C ATOM 585 CG LEU A 44 -2.424 -1.506 8.026 1.00 0.00 C ATOM 586 CD1 LEU A 44 -1.784 -0.823 6.827 1.00 0.00 C ATOM 587 CD2 LEU A 44 -3.750 -0.845 8.374 1.00 0.00 C ATOM 0 H LEU A 44 -2.885 -5.530 7.996 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.781 -3.212 9.550 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.679 -3.508 7.928 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.862 -3.121 6.694 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.753 -1.401 8.879 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.649 0.237 7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.815 -1.278 6.623 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.429 -0.938 5.956 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.588 0.216 8.567 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.444 -0.961 7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.169 -1.316 9.263 1.00 0.00 H new ATOM 599 N SER A 45 -5.930 -2.722 8.431 1.00 0.00 N ATOM 600 CA SER A 45 -7.254 -2.506 7.861 1.00 0.00 C ATOM 601 C SER A 45 -7.219 -1.402 6.808 1.00 0.00 C ATOM 602 O SER A 45 -6.984 -0.235 7.123 1.00 0.00 O ATOM 603 CB SER A 45 -8.254 -2.144 8.961 1.00 0.00 C ATOM 604 OG SER A 45 -7.726 -1.151 9.824 1.00 0.00 O ATOM 0 H SER A 45 -5.742 -2.183 9.277 1.00 0.00 H new ATOM 0 HA SER A 45 -7.571 -3.432 7.382 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.180 -1.785 8.511 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.504 -3.035 9.537 1.00 0.00 H new ATOM 0 HG SER A 45 -8.216 -1.161 10.672 1.00 0.00 H new ATOM 610 N PHE A 46 -7.454 -1.780 5.556 1.00 0.00 N ATOM 611 CA PHE A 46 -7.448 -0.824 4.455 1.00 0.00 C ATOM 612 C PHE A 46 -8.745 -0.907 3.656 1.00 0.00 C ATOM 613 O PHE A 46 -9.497 -1.875 3.769 1.00 0.00 O ATOM 614 CB PHE A 46 -6.252 -1.081 3.535 1.00 0.00 C ATOM 615 CG PHE A 46 -6.127 -2.512 3.099 1.00 0.00 C ATOM 616 CD1 PHE A 46 -5.560 -3.459 3.938 1.00 0.00 C ATOM 617 CD2 PHE A 46 -6.576 -2.912 1.851 1.00 0.00 C ATOM 618 CE1 PHE A 46 -5.443 -4.777 3.539 1.00 0.00 C ATOM 619 CE2 PHE A 46 -6.462 -4.229 1.447 1.00 0.00 C ATOM 620 CZ PHE A 46 -5.896 -5.163 2.293 1.00 0.00 C ATOM 0 H PHE A 46 -7.651 -2.742 5.279 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.365 0.178 4.877 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.340 -0.447 2.653 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.338 -0.785 4.050 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.206 -3.163 4.914 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -7.020 -2.186 1.186 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.998 -5.505 4.201 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.815 -4.528 0.471 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.808 -6.193 1.980 1.00 0.00 H new ATOM 630 N LYS A 47 -9.002 0.116 2.848 1.00 0.00 N ATOM 631 CA LYS A 47 -10.207 0.161 2.028 1.00 0.00 C ATOM 632 C LYS A 47 -9.858 0.384 0.560 1.00 0.00 C ATOM 633 O LYS A 47 -8.737 0.769 0.229 1.00 0.00 O ATOM 634 CB LYS A 47 -11.139 1.272 2.517 1.00 0.00 C ATOM 635 CG LYS A 47 -11.646 1.062 3.933 1.00 0.00 C ATOM 636 CD LYS A 47 -12.836 0.117 3.965 1.00 0.00 C ATOM 637 CE LYS A 47 -13.115 -0.380 5.375 1.00 0.00 C ATOM 638 NZ LYS A 47 -13.927 -1.628 5.372 1.00 0.00 N ATOM 0 H LYS A 47 -8.391 0.926 2.743 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.716 -0.799 2.120 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.612 2.225 2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.992 1.343 1.842 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.844 0.660 4.552 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.931 2.022 4.365 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.718 0.627 3.577 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.645 -0.733 3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.171 -0.562 5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.640 0.394 5.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.096 -1.935 6.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.838 -1.448 4.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.415 -2.374 4.859 1.00 0.00 H new ATOM 652 N LYS A 48 -10.827 0.142 -0.316 1.00 0.00 N ATOM 653 CA LYS A 48 -10.625 0.318 -1.749 1.00 0.00 C ATOM 654 C LYS A 48 -10.402 1.788 -2.090 1.00 0.00 C ATOM 655 O LYS A 48 -11.330 2.595 -2.040 1.00 0.00 O ATOM 656 CB LYS A 48 -11.829 -0.220 -2.526 1.00 0.00 C ATOM 657 CG LYS A 48 -11.746 0.024 -4.023 1.00 0.00 C ATOM 658 CD LYS A 48 -12.762 -0.813 -4.781 1.00 0.00 C ATOM 659 CE LYS A 48 -12.738 -0.505 -6.270 1.00 0.00 C ATOM 660 NZ LYS A 48 -13.302 -1.622 -7.077 1.00 0.00 N ATOM 0 H LYS A 48 -11.761 -0.177 -0.058 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.736 -0.243 -2.036 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.918 -1.291 -2.345 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.737 0.245 -2.140 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.916 1.080 -4.230 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.742 -0.213 -4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.553 -1.871 -4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.760 -0.623 -4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.307 0.405 -6.462 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.712 -0.312 -6.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.268 -1.373 -8.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.744 -2.484 -6.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.289 -1.790 -6.795 1.00 0.00 H new ATOM 674 N GLY A 49 -9.165 2.130 -2.439 1.00 0.00 N ATOM 675 CA GLY A 49 -8.844 3.503 -2.784 1.00 0.00 C ATOM 676 C GLY A 49 -8.057 4.205 -1.696 1.00 0.00 C ATOM 677 O GLY A 49 -8.047 5.434 -1.624 1.00 0.00 O ATOM 0 H GLY A 49 -8.380 1.481 -2.489 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.270 3.517 -3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.766 4.052 -2.973 1.00 0.00 H new ATOM 681 N GLU A 50 -7.396 3.424 -0.847 1.00 0.00 N ATOM 682 CA GLU A 50 -6.605 3.981 0.243 1.00 0.00 C ATOM 683 C GLU A 50 -5.117 3.725 0.021 1.00 0.00 C ATOM 684 O GLU A 50 -4.724 2.665 -0.466 1.00 0.00 O ATOM 685 CB GLU A 50 -7.043 3.378 1.580 1.00 0.00 C ATOM 686 CG GLU A 50 -6.731 4.260 2.777 1.00 0.00 C ATOM 687 CD GLU A 50 -7.728 5.390 2.944 1.00 0.00 C ATOM 688 OE1 GLU A 50 -8.266 5.865 1.922 1.00 0.00 O ATOM 689 OE2 GLU A 50 -7.971 5.800 4.099 1.00 0.00 O ATOM 0 H GLU A 50 -7.393 2.405 -0.893 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.772 5.058 0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.116 3.188 1.549 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.552 2.414 1.712 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.723 3.651 3.681 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.730 4.677 2.665 1.00 0.00 H new ATOM 696 N ARG A 51 -4.294 4.705 0.382 1.00 0.00 N ATOM 697 CA ARG A 51 -2.850 4.587 0.221 1.00 0.00 C ATOM 698 C ARG A 51 -2.197 4.094 1.509 1.00 0.00 C ATOM 699 O ARG A 51 -2.778 4.194 2.589 1.00 0.00 O ATOM 700 CB ARG A 51 -2.249 5.935 -0.184 1.00 0.00 C ATOM 701 CG ARG A 51 -2.628 6.373 -1.589 1.00 0.00 C ATOM 702 CD ARG A 51 -1.540 7.228 -2.218 1.00 0.00 C ATOM 703 NE ARG A 51 -2.015 7.932 -3.407 1.00 0.00 N ATOM 704 CZ ARG A 51 -2.879 8.941 -3.367 1.00 0.00 C ATOM 705 NH1 ARG A 51 -3.358 9.362 -2.205 1.00 0.00 N ATOM 706 NH2 ARG A 51 -3.264 9.531 -4.491 1.00 0.00 N ATOM 0 H ARG A 51 -4.603 5.589 0.788 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.656 3.858 -0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.575 6.696 0.525 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.163 5.876 -0.112 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.806 5.495 -2.209 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.561 6.935 -1.557 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.181 7.953 -1.487 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.692 6.597 -2.485 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.664 7.633 -4.317 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.064 8.911 -1.339 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.021 10.137 -2.177 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.897 9.210 -5.387 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.927 10.305 -4.459 1.00 0.00 H new ATOM 720 N PHE A 52 -0.986 3.560 1.386 1.00 0.00 N ATOM 721 CA PHE A 52 -0.255 3.049 2.539 1.00 0.00 C ATOM 722 C PHE A 52 1.244 3.008 2.258 1.00 0.00 C ATOM 723 O PHE A 52 1.673 2.575 1.189 1.00 0.00 O ATOM 724 CB PHE A 52 -0.755 1.651 2.908 1.00 0.00 C ATOM 725 CG PHE A 52 -2.247 1.566 3.053 1.00 0.00 C ATOM 726 CD1 PHE A 52 -3.049 1.288 1.957 1.00 0.00 C ATOM 727 CD2 PHE A 52 -2.849 1.766 4.285 1.00 0.00 C ATOM 728 CE1 PHE A 52 -4.422 1.209 2.087 1.00 0.00 C ATOM 729 CE2 PHE A 52 -4.223 1.688 4.421 1.00 0.00 C ATOM 730 CZ PHE A 52 -5.010 1.411 3.321 1.00 0.00 C ATOM 0 H PHE A 52 -0.490 3.470 0.499 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.431 3.723 3.377 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.432 0.945 2.143 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.289 1.343 3.844 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.595 1.131 0.990 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.238 1.985 5.148 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.035 0.990 1.225 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.680 1.844 5.387 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.083 1.352 3.425 1.00 0.00 H new ATOM 740 N GLN A 53 2.034 3.462 3.226 1.00 0.00 N ATOM 741 CA GLN A 53 3.485 3.479 3.082 1.00 0.00 C ATOM 742 C GLN A 53 4.079 2.109 3.396 1.00 0.00 C ATOM 743 O GLN A 53 4.055 1.661 4.543 1.00 0.00 O ATOM 744 CB GLN A 53 4.098 4.537 4.001 1.00 0.00 C ATOM 745 CG GLN A 53 4.150 5.924 3.382 1.00 0.00 C ATOM 746 CD GLN A 53 4.417 7.010 4.405 1.00 0.00 C ATOM 747 OE1 GLN A 53 3.847 7.004 5.497 1.00 0.00 O ATOM 748 NE2 GLN A 53 5.287 7.951 4.057 1.00 0.00 N ATOM 0 H GLN A 53 1.694 3.823 4.117 1.00 0.00 H new ATOM 0 HA GLN A 53 3.719 3.728 2.047 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.521 4.582 4.925 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.109 4.230 4.271 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.929 5.949 2.620 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.205 6.129 2.879 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.736 7.917 3.142 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.506 8.708 4.705 1.00 0.00 H new ATOM 757 N ILE A 54 4.610 1.451 2.372 1.00 0.00 N ATOM 758 CA ILE A 54 5.210 0.133 2.540 1.00 0.00 C ATOM 759 C ILE A 54 6.470 0.208 3.396 1.00 0.00 C ATOM 760 O ILE A 54 7.515 0.675 2.941 1.00 0.00 O ATOM 761 CB ILE A 54 5.563 -0.502 1.182 1.00 0.00 C ATOM 762 CG1 ILE A 54 4.336 -0.521 0.268 1.00 0.00 C ATOM 763 CG2 ILE A 54 6.105 -1.909 1.380 1.00 0.00 C ATOM 764 CD1 ILE A 54 3.148 -1.240 0.868 1.00 0.00 C ATOM 0 H ILE A 54 4.637 1.808 1.417 1.00 0.00 H new ATOM 0 HA ILE A 54 4.469 -0.490 3.041 1.00 0.00 H new ATOM 0 HB ILE A 54 6.337 0.101 0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.050 0.505 0.035 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.602 -0.999 -0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.350 -2.344 0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.002 -1.870 1.997 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.352 -2.523 1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.315 -1.214 0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.416 -2.276 1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.856 -0.748 1.796 1.00 0.00 H new ATOM 776 N ILE A 55 6.363 -0.256 4.637 1.00 0.00 N ATOM 777 CA ILE A 55 7.494 -0.244 5.556 1.00 0.00 C ATOM 778 C ILE A 55 8.404 -1.446 5.323 1.00 0.00 C ATOM 779 O ILE A 55 9.617 -1.300 5.179 1.00 0.00 O ATOM 780 CB ILE A 55 7.027 -0.244 7.023 1.00 0.00 C ATOM 781 CG1 ILE A 55 6.031 0.892 7.264 1.00 0.00 C ATOM 782 CG2 ILE A 55 8.221 -0.116 7.959 1.00 0.00 C ATOM 783 CD1 ILE A 55 5.073 0.624 8.403 1.00 0.00 C ATOM 0 H ILE A 55 5.505 -0.645 5.029 1.00 0.00 H new ATOM 0 HA ILE A 55 8.050 0.673 5.361 1.00 0.00 H new ATOM 0 HB ILE A 55 6.527 -1.190 7.230 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.582 1.809 7.472 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.459 1.063 6.352 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.875 -0.117 8.993 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.898 -0.956 7.802 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.746 0.817 7.754 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.396 1.471 8.516 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.496 -0.275 8.189 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.635 0.483 9.326 1.00 0.00 H new ATOM 795 N ASN A 56 7.808 -2.633 5.287 1.00 0.00 N ATOM 796 CA ASN A 56 8.564 -3.861 5.071 1.00 0.00 C ATOM 797 C ASN A 56 7.863 -4.761 4.058 1.00 0.00 C ATOM 798 O ASN A 56 6.692 -5.101 4.221 1.00 0.00 O ATOM 799 CB ASN A 56 8.750 -4.610 6.392 1.00 0.00 C ATOM 800 CG ASN A 56 10.037 -5.412 6.426 1.00 0.00 C ATOM 801 OD1 ASN A 56 10.581 -5.777 5.385 1.00 0.00 O ATOM 802 ND2 ASN A 56 10.529 -5.690 7.628 1.00 0.00 N ATOM 0 H ASN A 56 6.804 -2.771 5.405 1.00 0.00 H new ATOM 0 HA ASN A 56 9.542 -3.590 4.674 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.749 -3.895 7.215 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.904 -5.279 6.549 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.392 -6.227 7.714 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.044 -5.367 8.465 1.00 0.00 H new ATOM 809 N ASN A 57 8.588 -5.143 3.012 1.00 0.00 N ATOM 810 CA ASN A 57 8.036 -6.004 1.972 1.00 0.00 C ATOM 811 C ASN A 57 8.904 -7.243 1.773 1.00 0.00 C ATOM 812 O ASN A 57 9.150 -7.668 0.644 1.00 0.00 O ATOM 813 CB ASN A 57 7.916 -5.234 0.655 1.00 0.00 C ATOM 814 CG ASN A 57 9.265 -4.797 0.116 1.00 0.00 C ATOM 815 OD1 ASN A 57 10.292 -5.407 0.413 1.00 0.00 O ATOM 816 ND2 ASN A 57 9.267 -3.736 -0.682 1.00 0.00 N ATOM 0 H ASN A 57 9.559 -4.870 2.862 1.00 0.00 H new ATOM 0 HA ASN A 57 7.044 -6.325 2.289 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.418 -5.860 -0.085 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.287 -4.357 0.806 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.144 -3.396 -1.076 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.391 -3.261 -0.901 1.00 0.00 H new ATOM 823 N THR A 58 9.366 -7.819 2.879 1.00 0.00 N ATOM 824 CA THR A 58 10.206 -9.008 2.827 1.00 0.00 C ATOM 825 C THR A 58 9.414 -10.221 2.350 1.00 0.00 C ATOM 826 O THR A 58 9.880 -10.984 1.504 1.00 0.00 O ATOM 827 CB THR A 58 10.823 -9.321 4.203 1.00 0.00 C ATOM 828 OG1 THR A 58 11.630 -10.501 4.122 1.00 0.00 O ATOM 829 CG2 THR A 58 9.737 -9.514 5.251 1.00 0.00 C ATOM 0 H THR A 58 9.172 -7.481 3.821 1.00 0.00 H new ATOM 0 HA THR A 58 11.006 -8.798 2.117 1.00 0.00 H new ATOM 0 HB THR A 58 11.445 -8.476 4.498 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.020 -10.692 5.001 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.196 -9.734 6.215 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.143 -8.604 5.331 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.092 -10.343 4.959 1.00 0.00 H new ATOM 837 N GLU A 59 8.215 -10.391 2.898 1.00 0.00 N ATOM 838 CA GLU A 59 7.360 -11.513 2.528 1.00 0.00 C ATOM 839 C GLU A 59 6.183 -11.041 1.678 1.00 0.00 C ATOM 840 O GLU A 59 5.400 -10.191 2.100 1.00 0.00 O ATOM 841 CB GLU A 59 6.845 -12.226 3.780 1.00 0.00 C ATOM 842 CG GLU A 59 6.104 -11.311 4.740 1.00 0.00 C ATOM 843 CD GLU A 59 5.884 -11.947 6.099 1.00 0.00 C ATOM 844 OE1 GLU A 59 6.883 -12.189 6.809 1.00 0.00 O ATOM 845 OE2 GLU A 59 4.714 -12.203 6.453 1.00 0.00 O ATOM 0 H GLU A 59 7.814 -9.767 3.599 1.00 0.00 H new ATOM 0 HA GLU A 59 7.955 -12.212 1.940 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.182 -13.037 3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.687 -12.680 4.302 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.668 -10.386 4.863 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.140 -11.042 4.309 1.00 0.00 H new ATOM 852 N GLY A 60 6.066 -11.600 0.477 1.00 0.00 N ATOM 853 CA GLY A 60 4.983 -11.225 -0.413 1.00 0.00 C ATOM 854 C GLY A 60 3.618 -11.475 0.196 1.00 0.00 C ATOM 855 O GLY A 60 2.711 -10.653 0.061 1.00 0.00 O ATOM 0 H GLY A 60 6.702 -12.306 0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.076 -10.169 -0.668 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.071 -11.786 -1.343 1.00 0.00 H new ATOM 859 N ASP A 61 3.470 -12.612 0.866 1.00 0.00 N ATOM 860 CA ASP A 61 2.205 -12.968 1.498 1.00 0.00 C ATOM 861 C ASP A 61 1.546 -11.743 2.124 1.00 0.00 C ATOM 862 O ASP A 61 0.381 -11.449 1.858 1.00 0.00 O ATOM 863 CB ASP A 61 2.428 -14.043 2.564 1.00 0.00 C ATOM 864 CG ASP A 61 3.123 -15.271 2.010 1.00 0.00 C ATOM 865 OD1 ASP A 61 4.264 -15.137 1.521 1.00 0.00 O ATOM 866 OD2 ASP A 61 2.526 -16.367 2.066 1.00 0.00 O ATOM 0 H ASP A 61 4.210 -13.303 0.986 1.00 0.00 H new ATOM 0 HA ASP A 61 1.541 -13.362 0.728 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.024 -13.627 3.376 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.468 -14.333 2.990 1.00 0.00 H new ATOM 871 N TRP A 62 2.299 -11.033 2.956 1.00 0.00 N ATOM 872 CA TRP A 62 1.788 -9.839 3.620 1.00 0.00 C ATOM 873 C TRP A 62 2.895 -8.812 3.823 1.00 0.00 C ATOM 874 O TRP A 62 3.991 -9.147 4.273 1.00 0.00 O ATOM 875 CB TRP A 62 1.165 -10.208 4.968 1.00 0.00 C ATOM 876 CG TRP A 62 0.028 -11.178 4.851 1.00 0.00 C ATOM 877 CD1 TRP A 62 0.117 -12.521 4.616 1.00 0.00 C ATOM 878 CD2 TRP A 62 -1.368 -10.879 4.962 1.00 0.00 C ATOM 879 NE1 TRP A 62 -1.140 -13.074 4.574 1.00 0.00 N ATOM 880 CE2 TRP A 62 -2.068 -12.089 4.785 1.00 0.00 C ATOM 881 CE3 TRP A 62 -2.094 -9.709 5.196 1.00 0.00 C ATOM 882 CZ2 TRP A 62 -3.458 -12.158 4.833 1.00 0.00 C ATOM 883 CZ3 TRP A 62 -3.473 -9.779 5.243 1.00 0.00 C ATOM 884 CH2 TRP A 62 -4.144 -10.997 5.063 1.00 0.00 C ATOM 0 H TRP A 62 3.265 -11.263 3.187 1.00 0.00 H new ATOM 0 HA TRP A 62 1.023 -9.398 2.981 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.934 -10.637 5.611 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.810 -9.301 5.457 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.039 -13.067 4.483 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.348 -14.059 4.412 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.586 -8.766 5.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.976 -13.095 4.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.044 -8.880 5.421 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.223 -11.019 5.107 1.00 0.00 H new ATOM 895 N TRP A 63 2.604 -7.560 3.488 1.00 0.00 N ATOM 896 CA TRP A 63 3.576 -6.483 3.634 1.00 0.00 C ATOM 897 C TRP A 63 3.156 -5.515 4.734 1.00 0.00 C ATOM 898 O TRP A 63 1.975 -5.203 4.879 1.00 0.00 O ATOM 899 CB TRP A 63 3.739 -5.733 2.311 1.00 0.00 C ATOM 900 CG TRP A 63 4.400 -6.549 1.242 1.00 0.00 C ATOM 901 CD1 TRP A 63 5.250 -7.602 1.423 1.00 0.00 C ATOM 902 CD2 TRP A 63 4.265 -6.378 -0.173 1.00 0.00 C ATOM 903 NE1 TRP A 63 5.653 -8.096 0.205 1.00 0.00 N ATOM 904 CE2 TRP A 63 5.062 -7.363 -0.789 1.00 0.00 C ATOM 905 CE3 TRP A 63 3.548 -5.491 -0.980 1.00 0.00 C ATOM 906 CZ2 TRP A 63 5.161 -7.482 -2.173 1.00 0.00 C ATOM 907 CZ3 TRP A 63 3.647 -5.609 -2.353 1.00 0.00 C ATOM 908 CH2 TRP A 63 4.448 -6.599 -2.938 1.00 0.00 C ATOM 0 H TRP A 63 1.702 -7.266 3.113 1.00 0.00 H new ATOM 0 HA TRP A 63 4.532 -6.926 3.913 1.00 0.00 H new ATOM 0 HB2 TRP A 63 2.758 -5.414 1.960 1.00 0.00 H new ATOM 0 HB3 TRP A 63 4.325 -4.830 2.483 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.560 -7.990 2.382 1.00 0.00 H new ATOM 0 HE1 TRP A 63 6.289 -8.881 0.065 1.00 0.00 H new ATOM 0 HE3 TRP A 63 2.927 -4.726 -0.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.778 -8.244 -2.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 3.098 -4.927 -2.986 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.504 -6.667 -4.014 1.00 0.00 H new ATOM 919 N GLU A 64 4.130 -5.043 5.505 1.00 0.00 N ATOM 920 CA GLU A 64 3.858 -4.110 6.593 1.00 0.00 C ATOM 921 C GLU A 64 3.878 -2.669 6.091 1.00 0.00 C ATOM 922 O GLU A 64 4.912 -2.168 5.650 1.00 0.00 O ATOM 923 CB GLU A 64 4.885 -4.286 7.713 1.00 0.00 C ATOM 924 CG GLU A 64 4.585 -3.455 8.950 1.00 0.00 C ATOM 925 CD GLU A 64 5.318 -3.953 10.180 1.00 0.00 C ATOM 926 OE1 GLU A 64 6.551 -4.135 10.103 1.00 0.00 O ATOM 927 OE2 GLU A 64 4.658 -4.161 11.219 1.00 0.00 O ATOM 0 H GLU A 64 5.114 -5.291 5.397 1.00 0.00 H new ATOM 0 HA GLU A 64 2.864 -4.326 6.984 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.927 -5.338 7.994 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.872 -4.017 7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.862 -2.418 8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.512 -3.469 9.141 1.00 0.00 H new ATOM 934 N ALA A 65 2.727 -2.009 6.161 1.00 0.00 N ATOM 935 CA ALA A 65 2.611 -0.626 5.716 1.00 0.00 C ATOM 936 C ALA A 65 1.890 0.227 6.754 1.00 0.00 C ATOM 937 O ALA A 65 1.171 -0.293 7.607 1.00 0.00 O ATOM 938 CB ALA A 65 1.886 -0.560 4.380 1.00 0.00 C ATOM 0 H ALA A 65 1.861 -2.410 6.522 1.00 0.00 H new ATOM 0 HA ALA A 65 3.617 -0.226 5.591 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.807 0.479 4.060 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.444 -1.128 3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.888 -0.984 4.487 1.00 0.00 H new ATOM 944 N ARG A 66 2.089 1.539 6.677 1.00 0.00 N ATOM 945 CA ARG A 66 1.459 2.463 7.612 1.00 0.00 C ATOM 946 C ARG A 66 0.570 3.460 6.875 1.00 0.00 C ATOM 947 O ARG A 66 1.061 4.381 6.222 1.00 0.00 O ATOM 948 CB ARG A 66 2.522 3.211 8.418 1.00 0.00 C ATOM 949 CG ARG A 66 1.947 4.221 9.397 1.00 0.00 C ATOM 950 CD ARG A 66 2.925 5.352 9.670 1.00 0.00 C ATOM 951 NE ARG A 66 2.735 5.931 10.997 1.00 0.00 N ATOM 952 CZ ARG A 66 3.205 7.122 11.354 1.00 0.00 C ATOM 953 NH1 ARG A 66 3.889 7.855 10.486 1.00 0.00 N ATOM 954 NH2 ARG A 66 2.991 7.581 12.580 1.00 0.00 N ATOM 0 H ARG A 66 2.681 1.986 5.977 1.00 0.00 H new ATOM 0 HA ARG A 66 0.838 1.882 8.294 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.124 2.488 8.968 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.192 3.726 7.729 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.019 4.630 8.997 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.697 3.721 10.333 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.945 4.979 9.580 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.802 6.128 8.915 1.00 0.00 H new ATOM 0 HE ARG A 66 2.213 5.392 11.688 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.055 7.505 9.542 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.249 8.769 10.762 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.465 7.020 13.250 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.352 8.495 12.853 1.00 0.00 H new ATOM 968 N SER A 67 -0.741 3.270 6.983 1.00 0.00 N ATOM 969 CA SER A 67 -1.699 4.150 6.324 1.00 0.00 C ATOM 970 C SER A 67 -1.298 5.612 6.491 1.00 0.00 C ATOM 971 O SER A 67 -0.851 6.026 7.562 1.00 0.00 O ATOM 972 CB SER A 67 -3.103 3.926 6.889 1.00 0.00 C ATOM 973 OG SER A 67 -3.365 2.545 7.070 1.00 0.00 O ATOM 0 H SER A 67 -1.164 2.514 7.521 1.00 0.00 H new ATOM 0 HA SER A 67 -1.701 3.912 5.260 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.202 4.446 7.842 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.843 4.354 6.213 1.00 0.00 H new ATOM 0 HG SER A 67 -3.339 2.091 6.202 1.00 0.00 H new ATOM 979 N ILE A 68 -1.461 6.390 5.426 1.00 0.00 N ATOM 980 CA ILE A 68 -1.117 7.806 5.455 1.00 0.00 C ATOM 981 C ILE A 68 -2.337 8.661 5.782 1.00 0.00 C ATOM 982 O ILE A 68 -2.208 9.783 6.269 1.00 0.00 O ATOM 983 CB ILE A 68 -0.525 8.269 4.111 1.00 0.00 C ATOM 984 CG1 ILE A 68 0.351 7.168 3.509 1.00 0.00 C ATOM 985 CG2 ILE A 68 0.277 9.548 4.298 1.00 0.00 C ATOM 986 CD1 ILE A 68 0.763 7.439 2.079 1.00 0.00 C ATOM 0 H ILE A 68 -1.829 6.063 4.533 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.367 7.933 6.236 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.344 8.474 3.421 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.246 7.051 4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.189 6.222 3.550 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.689 9.863 3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.373 10.331 4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.090 9.368 5.001 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.382 6.618 1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.126 7.526 1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.331 8.368 2.034 1.00 0.00 H new ATOM 998 N ALA A 69 -3.521 8.121 5.511 1.00 0.00 N ATOM 999 CA ALA A 69 -4.764 8.832 5.779 1.00 0.00 C ATOM 1000 C ALA A 69 -5.174 8.690 7.241 1.00 0.00 C ATOM 1001 O ALA A 69 -5.242 9.675 7.977 1.00 0.00 O ATOM 1002 CB ALA A 69 -5.871 8.324 4.867 1.00 0.00 C ATOM 0 H ALA A 69 -3.645 7.193 5.106 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.598 9.890 5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.794 8.864 5.079 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.587 8.484 3.827 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.026 7.259 5.041 1.00 0.00 H new ATOM 1008 N THR A 70 -5.447 7.457 7.657 1.00 0.00 N ATOM 1009 CA THR A 70 -5.852 7.186 9.031 1.00 0.00 C ATOM 1010 C THR A 70 -4.645 7.141 9.961 1.00 0.00 C ATOM 1011 O THR A 70 -4.724 7.559 11.116 1.00 0.00 O ATOM 1012 CB THR A 70 -6.618 5.853 9.138 1.00 0.00 C ATOM 1013 OG1 THR A 70 -5.736 4.758 8.866 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.788 5.822 8.166 1.00 0.00 C ATOM 0 H THR A 70 -5.395 6.630 7.062 1.00 0.00 H new ATOM 0 HA THR A 70 -6.510 8.001 9.333 1.00 0.00 H new ATOM 0 HB THR A 70 -7.006 5.763 10.152 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.146 4.165 8.203 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.314 4.872 8.260 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.472 6.639 8.394 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.417 5.933 7.147 1.00 0.00 H new ATOM 1022 N GLY A 71 -3.528 6.633 9.450 1.00 0.00 N ATOM 1023 CA GLY A 71 -2.320 6.544 10.249 1.00 0.00 C ATOM 1024 C GLY A 71 -2.167 5.195 10.922 1.00 0.00 C ATOM 1025 O GLY A 71 -1.374 5.041 11.850 1.00 0.00 O ATOM 0 H GLY A 71 -3.438 6.281 8.497 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.454 6.730 9.614 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.332 7.326 11.008 1.00 0.00 H new ATOM 1029 N LYS A 72 -2.930 4.213 10.454 1.00 0.00 N ATOM 1030 CA LYS A 72 -2.878 2.868 11.015 1.00 0.00 C ATOM 1031 C LYS A 72 -1.621 2.136 10.557 1.00 0.00 C ATOM 1032 O LYS A 72 -0.870 2.636 9.719 1.00 0.00 O ATOM 1033 CB LYS A 72 -4.121 2.074 10.608 1.00 0.00 C ATOM 1034 CG LYS A 72 -5.399 2.565 11.267 1.00 0.00 C ATOM 1035 CD LYS A 72 -6.565 1.633 10.983 1.00 0.00 C ATOM 1036 CE LYS A 72 -7.293 2.023 9.706 1.00 0.00 C ATOM 1037 NZ LYS A 72 -8.609 1.336 9.585 1.00 0.00 N ATOM 0 H LYS A 72 -3.593 4.324 9.686 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.851 2.955 12.101 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.237 2.126 9.525 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -3.971 1.025 10.862 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.248 2.643 12.344 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.635 3.566 10.905 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.201 0.609 10.897 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.262 1.654 11.821 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.444 3.102 9.689 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.673 1.775 8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.146 1.751 8.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.457 0.323 9.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.145 1.454 10.469 1.00 0.00 H new ATOM 1051 N SER A 73 -1.399 0.948 11.110 1.00 0.00 N ATOM 1052 CA SER A 73 -0.231 0.147 10.759 1.00 0.00 C ATOM 1053 C SER A 73 -0.489 -1.333 11.022 1.00 0.00 C ATOM 1054 O SER A 73 -1.077 -1.702 12.038 1.00 0.00 O ATOM 1055 CB SER A 73 0.990 0.613 11.553 1.00 0.00 C ATOM 1056 OG SER A 73 0.692 0.715 12.935 1.00 0.00 O ATOM 0 H SER A 73 -2.012 0.518 11.803 1.00 0.00 H new ATOM 0 HA SER A 73 -0.036 0.280 9.695 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.812 -0.087 11.406 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.324 1.580 11.178 1.00 0.00 H new ATOM 0 HG SER A 73 1.489 1.013 13.420 1.00 0.00 H new ATOM 1062 N GLY A 74 -0.043 -2.178 10.097 1.00 0.00 N ATOM 1063 CA GLY A 74 -0.234 -3.609 10.247 1.00 0.00 C ATOM 1064 C GLY A 74 0.337 -4.395 9.083 1.00 0.00 C ATOM 1065 O GLY A 74 1.468 -4.155 8.658 1.00 0.00 O ATOM 0 H GLY A 74 0.447 -1.897 9.247 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.238 -3.941 11.172 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.299 -3.823 10.338 1.00 0.00 H new ATOM 1069 N TYR A 75 -0.445 -5.336 8.566 1.00 0.00 N ATOM 1070 CA TYR A 75 -0.009 -6.163 7.447 1.00 0.00 C ATOM 1071 C TYR A 75 -1.088 -6.236 6.371 1.00 0.00 C ATOM 1072 O TYR A 75 -2.239 -6.570 6.652 1.00 0.00 O ATOM 1073 CB TYR A 75 0.340 -7.571 7.931 1.00 0.00 C ATOM 1074 CG TYR A 75 1.433 -7.599 8.975 1.00 0.00 C ATOM 1075 CD1 TYR A 75 2.516 -6.732 8.898 1.00 0.00 C ATOM 1076 CD2 TYR A 75 1.385 -8.493 10.037 1.00 0.00 C ATOM 1077 CE1 TYR A 75 3.518 -6.754 9.849 1.00 0.00 C ATOM 1078 CE2 TYR A 75 2.381 -8.522 10.993 1.00 0.00 C ATOM 1079 CZ TYR A 75 3.446 -7.650 10.895 1.00 0.00 C ATOM 1080 OH TYR A 75 4.442 -7.677 11.845 1.00 0.00 O ATOM 0 H TYR A 75 -1.384 -5.545 8.904 1.00 0.00 H new ATOM 0 HA TYR A 75 0.880 -5.704 7.014 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.555 -8.037 8.342 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.649 -8.173 7.077 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.576 -6.029 8.081 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.554 -9.178 10.116 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.353 -6.073 9.774 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.327 -9.223 11.813 1.00 0.00 H new ATOM 0 HH TYR A 75 4.238 -8.364 12.513 1.00 0.00 H new ATOM 1090 N ILE A 76 -0.706 -5.921 5.138 1.00 0.00 N ATOM 1091 CA ILE A 76 -1.640 -5.952 4.019 1.00 0.00 C ATOM 1092 C ILE A 76 -1.158 -6.902 2.927 1.00 0.00 C ATOM 1093 O ILE A 76 0.030 -6.975 2.613 1.00 0.00 O ATOM 1094 CB ILE A 76 -1.838 -4.551 3.412 1.00 0.00 C ATOM 1095 CG1 ILE A 76 -0.488 -3.940 3.032 1.00 0.00 C ATOM 1096 CG2 ILE A 76 -2.576 -3.650 4.391 1.00 0.00 C ATOM 1097 CD1 ILE A 76 -0.604 -2.729 2.132 1.00 0.00 C ATOM 0 H ILE A 76 0.243 -5.642 4.889 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.592 -6.307 4.413 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.440 -4.644 2.508 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.042 -3.657 3.941 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.117 -4.697 2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.709 -2.663 3.948 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.552 -4.080 4.617 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.997 -3.560 5.310 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.392 -2.349 1.904 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.106 -3.010 1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.181 -1.954 2.637 1.00 0.00 H new ATOM 1109 N PRO A 77 -2.101 -7.648 2.333 1.00 0.00 N ATOM 1110 CA PRO A 77 -1.798 -8.606 1.266 1.00 0.00 C ATOM 1111 C PRO A 77 -1.387 -7.917 -0.031 1.00 0.00 C ATOM 1112 O PRO A 77 -2.137 -7.112 -0.582 1.00 0.00 O ATOM 1113 CB PRO A 77 -3.118 -9.357 1.077 1.00 0.00 C ATOM 1114 CG PRO A 77 -4.165 -8.406 1.545 1.00 0.00 C ATOM 1115 CD PRO A 77 -3.537 -7.613 2.658 1.00 0.00 C ATOM 0 HA PRO A 77 -0.958 -9.251 1.524 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.271 -9.632 0.033 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.135 -10.280 1.656 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.489 -7.753 0.735 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.048 -8.940 1.896 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.917 -6.592 2.688 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.740 -8.058 3.632 1.00 0.00 H new ATOM 1123 N SER A 78 -0.191 -8.240 -0.514 1.00 0.00 N ATOM 1124 CA SER A 78 0.321 -7.650 -1.745 1.00 0.00 C ATOM 1125 C SER A 78 -0.500 -8.104 -2.947 1.00 0.00 C ATOM 1126 O SER A 78 -0.278 -7.653 -4.070 1.00 0.00 O ATOM 1127 CB SER A 78 1.790 -8.028 -1.944 1.00 0.00 C ATOM 1128 OG SER A 78 1.923 -9.396 -2.288 1.00 0.00 O ATOM 0 H SER A 78 0.441 -8.907 -0.071 1.00 0.00 H new ATOM 0 HA SER A 78 0.240 -6.566 -1.660 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.225 -7.409 -2.728 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.348 -7.824 -1.030 1.00 0.00 H new ATOM 0 HG SER A 78 2.188 -9.908 -1.496 1.00 0.00 H new ATOM 1134 N ASN A 79 -1.450 -9.001 -2.703 1.00 0.00 N ATOM 1135 CA ASN A 79 -2.305 -9.518 -3.765 1.00 0.00 C ATOM 1136 C ASN A 79 -3.540 -8.640 -3.945 1.00 0.00 C ATOM 1137 O ASN A 79 -4.359 -8.877 -4.833 1.00 0.00 O ATOM 1138 CB ASN A 79 -2.728 -10.955 -3.454 1.00 0.00 C ATOM 1139 CG ASN A 79 -1.583 -11.790 -2.915 1.00 0.00 C ATOM 1140 OD1 ASN A 79 -0.546 -11.934 -3.562 1.00 0.00 O ATOM 1141 ND2 ASN A 79 -1.768 -12.347 -1.724 1.00 0.00 N ATOM 0 H ASN A 79 -1.647 -9.385 -1.779 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.735 -9.507 -4.694 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.539 -10.943 -2.726 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.119 -11.420 -4.359 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.034 -12.921 -1.310 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.644 -12.200 -1.223 1.00 0.00 H new ATOM 1148 N TYR A 80 -3.666 -7.625 -3.097 1.00 0.00 N ATOM 1149 CA TYR A 80 -4.802 -6.713 -3.161 1.00 0.00 C ATOM 1150 C TYR A 80 -4.339 -5.286 -3.439 1.00 0.00 C ATOM 1151 O TYR A 80 -5.023 -4.520 -4.117 1.00 0.00 O ATOM 1152 CB TYR A 80 -5.593 -6.758 -1.853 1.00 0.00 C ATOM 1153 CG TYR A 80 -6.686 -7.803 -1.842 1.00 0.00 C ATOM 1154 CD1 TYR A 80 -6.482 -9.057 -2.405 1.00 0.00 C ATOM 1155 CD2 TYR A 80 -7.923 -7.536 -1.269 1.00 0.00 C ATOM 1156 CE1 TYR A 80 -7.478 -10.014 -2.398 1.00 0.00 C ATOM 1157 CE2 TYR A 80 -8.925 -8.488 -1.256 1.00 0.00 C ATOM 1158 CZ TYR A 80 -8.697 -9.725 -1.823 1.00 0.00 C ATOM 1159 OH TYR A 80 -9.692 -10.676 -1.813 1.00 0.00 O ATOM 0 H TYR A 80 -2.996 -7.413 -2.358 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.447 -7.033 -3.979 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -4.906 -6.954 -1.029 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.036 -5.779 -1.672 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.528 -9.287 -2.856 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -8.105 -6.568 -0.826 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.303 -10.983 -2.841 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -9.881 -8.265 -0.805 1.00 0.00 H new ATOM 0 HH TYR A 80 -10.487 -10.313 -1.369 1.00 0.00 H new ATOM 1169 N VAL A 81 -3.170 -4.936 -2.911 1.00 0.00 N ATOM 1170 CA VAL A 81 -2.613 -3.602 -3.103 1.00 0.00 C ATOM 1171 C VAL A 81 -1.513 -3.613 -4.157 1.00 0.00 C ATOM 1172 O VAL A 81 -0.776 -4.590 -4.292 1.00 0.00 O ATOM 1173 CB VAL A 81 -2.044 -3.038 -1.788 1.00 0.00 C ATOM 1174 CG1 VAL A 81 -3.145 -2.889 -0.749 1.00 0.00 C ATOM 1175 CG2 VAL A 81 -0.925 -3.927 -1.267 1.00 0.00 C ATOM 0 H VAL A 81 -2.591 -5.558 -2.347 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.429 -2.963 -3.441 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.629 -2.050 -1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.723 -2.489 0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.909 -2.208 -1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.593 -3.863 -0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.535 -3.513 -0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.312 -4.929 -1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.125 -3.976 -2.006 1.00 0.00 H new ATOM 1185 N VAL A 82 -1.406 -2.519 -4.904 1.00 0.00 N ATOM 1186 CA VAL A 82 -0.394 -2.401 -5.947 1.00 0.00 C ATOM 1187 C VAL A 82 0.237 -1.013 -5.947 1.00 0.00 C ATOM 1188 O VAL A 82 -0.373 -0.027 -5.533 1.00 0.00 O ATOM 1189 CB VAL A 82 -0.988 -2.682 -7.340 1.00 0.00 C ATOM 1190 CG1 VAL A 82 -2.019 -3.798 -7.266 1.00 0.00 C ATOM 1191 CG2 VAL A 82 -1.599 -1.418 -7.924 1.00 0.00 C ATOM 0 H VAL A 82 -2.008 -1.701 -4.806 1.00 0.00 H new ATOM 0 HA VAL A 82 0.372 -3.145 -5.729 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.183 -3.007 -8.000 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.428 -3.982 -8.260 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.546 -4.707 -6.894 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.824 -3.506 -6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.014 -1.636 -8.908 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.392 -1.060 -7.267 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.830 -0.651 -8.016 1.00 0.00 H new ATOM 1201 N PRO A 83 1.488 -0.931 -6.422 1.00 0.00 N ATOM 1202 CA PRO A 83 2.229 0.332 -6.488 1.00 0.00 C ATOM 1203 C PRO A 83 1.664 1.281 -7.539 1.00 0.00 C ATOM 1204 O PRO A 83 1.384 0.878 -8.667 1.00 0.00 O ATOM 1205 CB PRO A 83 3.645 -0.107 -6.870 1.00 0.00 C ATOM 1206 CG PRO A 83 3.461 -1.404 -7.580 1.00 0.00 C ATOM 1207 CD PRO A 83 2.276 -2.066 -6.932 1.00 0.00 C ATOM 0 HA PRO A 83 2.178 0.884 -5.550 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.129 0.630 -7.511 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.275 -0.224 -5.988 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.286 -1.245 -8.644 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.352 -2.026 -7.493 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.707 -2.661 -7.647 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.580 -2.737 -6.129 1.00 0.00 H new ATOM 1215 N ALA A 84 1.498 2.544 -7.160 1.00 0.00 N ATOM 1216 CA ALA A 84 0.968 3.552 -8.071 1.00 0.00 C ATOM 1217 C ALA A 84 1.907 3.771 -9.253 1.00 0.00 C ATOM 1218 O ALA A 84 1.589 4.515 -10.180 1.00 0.00 O ATOM 1219 CB ALA A 84 0.733 4.860 -7.332 1.00 0.00 C ATOM 0 H ALA A 84 1.723 2.894 -6.229 1.00 0.00 H new ATOM 0 HA ALA A 84 0.016 3.191 -8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.337 5.603 -8.024 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.018 4.699 -6.525 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.675 5.217 -6.916 1.00 0.00 H new ATOM 1225 N ASP A 85 3.063 3.119 -9.213 1.00 0.00 N ATOM 1226 CA ASP A 85 4.048 3.243 -10.281 1.00 0.00 C ATOM 1227 C ASP A 85 3.924 2.089 -11.271 1.00 0.00 C ATOM 1228 O ASP A 85 4.008 2.287 -12.483 1.00 0.00 O ATOM 1229 CB ASP A 85 5.462 3.281 -9.698 1.00 0.00 C ATOM 1230 CG ASP A 85 5.838 1.985 -9.007 1.00 0.00 C ATOM 1231 OD1 ASP A 85 6.055 0.978 -9.713 1.00 0.00 O ATOM 1232 OD2 ASP A 85 5.915 1.978 -7.760 1.00 0.00 O ATOM 0 H ASP A 85 3.341 2.499 -8.452 1.00 0.00 H new ATOM 0 HA ASP A 85 3.857 4.176 -10.812 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.176 3.484 -10.496 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.537 4.104 -8.987 1.00 0.00 H new ATOM 1237 N SER A 86 3.723 0.884 -10.747 1.00 0.00 N ATOM 1238 CA SER A 86 3.592 -0.302 -11.584 1.00 0.00 C ATOM 1239 C SER A 86 2.150 -0.800 -11.598 1.00 0.00 C ATOM 1240 O SER A 86 1.891 -1.975 -11.861 1.00 0.00 O ATOM 1241 CB SER A 86 4.522 -1.410 -11.085 1.00 0.00 C ATOM 1242 OG SER A 86 5.783 -1.345 -11.728 1.00 0.00 O ATOM 0 H SER A 86 3.647 0.704 -9.746 1.00 0.00 H new ATOM 0 HA SER A 86 3.875 -0.032 -12.601 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.655 -1.320 -10.007 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.066 -2.383 -11.269 1.00 0.00 H new ATOM 0 HG SER A 86 6.310 -0.614 -11.342 1.00 0.00 H new ATOM 1248 N ILE A 87 1.217 0.101 -11.313 1.00 0.00 N ATOM 1249 CA ILE A 87 -0.199 -0.246 -11.294 1.00 0.00 C ATOM 1250 C ILE A 87 -0.519 -1.309 -12.339 1.00 0.00 C ATOM 1251 O ILE A 87 -0.605 -1.015 -13.531 1.00 0.00 O ATOM 1252 CB ILE A 87 -1.085 0.989 -11.546 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -0.438 2.239 -10.944 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -2.473 0.772 -10.964 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -1.423 3.352 -10.664 1.00 0.00 C ATOM 0 H ILE A 87 1.415 1.077 -11.092 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.414 -0.640 -10.301 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.182 1.135 -12.622 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.065 1.967 -10.016 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.329 2.606 -11.626 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.087 1.653 -11.150 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.933 -0.097 -11.434 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.395 0.604 -9.890 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.896 4.206 -10.239 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.908 3.651 -11.593 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.176 3.002 -9.958 1.00 0.00 H new ATOM 1267 N GLN A 88 -0.695 -2.545 -11.883 1.00 0.00 N ATOM 1268 CA GLN A 88 -1.007 -3.652 -12.779 1.00 0.00 C ATOM 1269 C GLN A 88 -2.477 -3.628 -13.183 1.00 0.00 C ATOM 1270 O GLN A 88 -2.842 -4.090 -14.264 1.00 0.00 O ATOM 1271 CB GLN A 88 -0.672 -4.987 -12.111 1.00 0.00 C ATOM 1272 CG GLN A 88 -1.386 -5.200 -10.786 1.00 0.00 C ATOM 1273 CD GLN A 88 -0.929 -6.458 -10.074 1.00 0.00 C ATOM 1274 OE1 GLN A 88 -1.526 -7.524 -10.228 1.00 0.00 O ATOM 1275 NE2 GLN A 88 0.134 -6.341 -9.288 1.00 0.00 N ATOM 0 H GLN A 88 -0.627 -2.805 -10.899 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.400 -3.541 -13.677 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.933 -5.799 -12.790 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.404 -5.042 -11.947 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.212 -4.338 -10.141 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.460 -5.256 -10.961 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.598 -5.438 -9.189 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.487 -7.154 -8.783 1.00 0.00 H new ATOM 1284 N ALA A 89 -3.318 -3.086 -12.308 1.00 0.00 N ATOM 1285 CA ALA A 89 -4.748 -3.000 -12.575 1.00 0.00 C ATOM 1286 C ALA A 89 -5.179 -1.555 -12.800 1.00 0.00 C ATOM 1287 O ALA A 89 -6.336 -1.201 -12.576 1.00 0.00 O ATOM 1288 CB ALA A 89 -5.537 -3.615 -11.428 1.00 0.00 C ATOM 0 H ALA A 89 -3.033 -2.700 -11.408 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.956 -3.560 -13.487 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.604 -3.544 -11.641 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.259 -4.663 -11.315 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.315 -3.079 -10.505 1.00 0.00 H new ATOM 1294 N GLU A 90 -4.240 -0.724 -13.243 1.00 0.00 N ATOM 1295 CA GLU A 90 -4.523 0.684 -13.496 1.00 0.00 C ATOM 1296 C GLU A 90 -5.934 0.863 -14.048 1.00 0.00 C ATOM 1297 O GLU A 90 -6.563 1.901 -13.846 1.00 0.00 O ATOM 1298 CB GLU A 90 -3.502 1.264 -14.476 1.00 0.00 C ATOM 1299 CG GLU A 90 -3.107 0.302 -15.585 1.00 0.00 C ATOM 1300 CD GLU A 90 -3.932 0.492 -16.843 1.00 0.00 C ATOM 1301 OE1 GLU A 90 -5.170 0.350 -16.768 1.00 0.00 O ATOM 1302 OE2 GLU A 90 -3.338 0.783 -17.902 1.00 0.00 O ATOM 0 H GLU A 90 -3.277 -1.002 -13.434 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.451 1.219 -12.549 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.913 2.170 -14.922 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.608 1.557 -13.925 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.052 0.440 -15.822 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.222 -0.722 -15.231 1.00 0.00 H new ATOM 1309 N GLU A 91 -6.424 -0.156 -14.747 1.00 0.00 N ATOM 1310 CA GLU A 91 -7.760 -0.110 -15.330 1.00 0.00 C ATOM 1311 C GLU A 91 -8.744 0.570 -14.383 1.00 0.00 C ATOM 1312 O GLU A 91 -9.703 1.207 -14.819 1.00 0.00 O ATOM 1313 CB GLU A 91 -8.246 -1.523 -15.660 1.00 0.00 C ATOM 1314 CG GLU A 91 -7.489 -2.176 -16.804 1.00 0.00 C ATOM 1315 CD GLU A 91 -7.876 -3.628 -17.006 1.00 0.00 C ATOM 1316 OE1 GLU A 91 -9.074 -3.897 -17.229 1.00 0.00 O ATOM 1317 OE2 GLU A 91 -6.979 -4.495 -16.941 1.00 0.00 O ATOM 0 H GLU A 91 -5.916 -1.023 -14.923 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.707 0.472 -16.250 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.153 -2.147 -14.771 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.306 -1.484 -15.912 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.679 -1.622 -17.723 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.418 -2.113 -16.609 1.00 0.00 H new ATOM 1324 N TRP A 92 -8.499 0.430 -13.085 1.00 0.00 N ATOM 1325 CA TRP A 92 -9.364 1.030 -12.075 1.00 0.00 C ATOM 1326 C TRP A 92 -9.368 2.550 -12.195 1.00 0.00 C ATOM 1327 O TRP A 92 -10.423 3.183 -12.145 1.00 0.00 O ATOM 1328 CB TRP A 92 -8.908 0.618 -10.674 1.00 0.00 C ATOM 1329 CG TRP A 92 -7.548 1.138 -10.315 1.00 0.00 C ATOM 1330 CD1 TRP A 92 -6.383 0.428 -10.276 1.00 0.00 C ATOM 1331 CD2 TRP A 92 -7.215 2.480 -9.943 1.00 0.00 C ATOM 1332 NE1 TRP A 92 -5.345 1.247 -9.901 1.00 0.00 N ATOM 1333 CE2 TRP A 92 -5.829 2.511 -9.693 1.00 0.00 C ATOM 1334 CE3 TRP A 92 -7.952 3.659 -9.799 1.00 0.00 C ATOM 1335 CZ2 TRP A 92 -5.169 3.674 -9.306 1.00 0.00 C ATOM 1336 CZ3 TRP A 92 -7.295 4.812 -9.415 1.00 0.00 C ATOM 1337 CH2 TRP A 92 -5.915 4.813 -9.173 1.00 0.00 C ATOM 0 H TRP A 92 -7.709 -0.093 -12.707 1.00 0.00 H new ATOM 0 HA TRP A 92 -10.379 0.669 -12.240 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -9.632 0.979 -9.943 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -8.903 -0.470 -10.607 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -6.290 -0.623 -10.506 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -4.372 0.960 -9.795 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -9.016 3.668 -9.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.106 3.677 -9.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.855 5.728 -9.299 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.431 5.731 -8.876 1.00 0.00 H new ATOM 1348 N TYR A 93 -8.183 3.129 -12.355 1.00 0.00 N ATOM 1349 CA TYR A 93 -8.051 4.576 -12.481 1.00 0.00 C ATOM 1350 C TYR A 93 -8.376 5.032 -13.900 1.00 0.00 C ATOM 1351 O TYR A 93 -8.892 6.130 -14.109 1.00 0.00 O ATOM 1352 CB TYR A 93 -6.635 5.015 -12.104 1.00 0.00 C ATOM 1353 CG TYR A 93 -5.703 5.133 -13.288 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -5.937 6.067 -14.291 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -4.587 4.313 -13.404 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -5.088 6.178 -15.375 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.732 4.419 -14.484 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.987 5.352 -15.467 1.00 0.00 C ATOM 1359 OH TYR A 93 -3.138 5.461 -16.545 1.00 0.00 O ATOM 0 H TYR A 93 -7.301 2.619 -12.400 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.762 5.040 -11.798 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.685 5.977 -11.595 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -6.219 4.300 -11.394 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.797 6.717 -14.221 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.385 3.580 -12.637 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.285 6.908 -16.146 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.868 3.775 -14.558 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.608 5.187 -17.360 1.00 0.00 H new ATOM 1369 N PHE A 94 -8.070 4.179 -14.873 1.00 0.00 N ATOM 1370 CA PHE A 94 -8.329 4.493 -16.273 1.00 0.00 C ATOM 1371 C PHE A 94 -9.817 4.732 -16.511 1.00 0.00 C ATOM 1372 O PHE A 94 -10.211 5.760 -17.061 1.00 0.00 O ATOM 1373 CB PHE A 94 -7.833 3.358 -17.172 1.00 0.00 C ATOM 1374 CG PHE A 94 -6.412 3.530 -17.626 1.00 0.00 C ATOM 1375 CD1 PHE A 94 -6.122 4.224 -18.789 1.00 0.00 C ATOM 1376 CD2 PHE A 94 -5.366 2.997 -16.889 1.00 0.00 C ATOM 1377 CE1 PHE A 94 -4.815 4.384 -19.210 1.00 0.00 C ATOM 1378 CE2 PHE A 94 -4.057 3.154 -17.305 1.00 0.00 C ATOM 1379 CZ PHE A 94 -3.781 3.848 -18.467 1.00 0.00 C ATOM 0 H PHE A 94 -7.643 3.266 -14.717 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.788 5.407 -16.521 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.922 2.414 -16.634 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.480 3.289 -18.047 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.926 4.645 -19.374 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.576 2.453 -15.980 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.602 4.927 -20.119 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.251 2.734 -16.722 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.759 3.971 -18.794 1.00 0.00 H new