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 Set 1.1: A 61 ASN : amide:sc= -0.172 K(o=-1.1,f=-3.5!) USER MOD Set 1.2: A 63 HIS : no HD1:sc= -0.958 K(o=-1.1,f=-0.58) USER MOD Single : A 20 THR OG1 : rot 36:sc= 0.101 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= -0.928 K(o=-0.93,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0.215 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 31:sc= 1.09 USER MOD Single : A 53 HIS : no HD1:sc= -0.0685 X(o=-0.068,f=-0.063) USER MOD Single : A 58 GLN : amide:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -131:sc= 1.07 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 -3.148 -6.777 0.878 1.00 0.00 N ATOM 272 CA THR A 20 -4.188 -5.836 0.483 1.00 0.00 C ATOM 273 C THR A 20 -4.055 -5.455 -0.987 1.00 0.00 C ATOM 274 O THR A 20 -3.321 -4.529 -1.335 1.00 0.00 O ATOM 275 CB THR A 20 -4.144 -4.556 1.339 1.00 0.00 C ATOM 276 OG1 THR A 20 -4.224 -4.894 2.729 1.00 0.00 O ATOM 277 CG2 THR A 20 -5.285 -3.620 0.973 1.00 0.00 C ATOM 0 HA THR A 20 -5.143 -6.337 0.641 1.00 0.00 H new ATOM 0 HB THR A 20 -3.201 -4.046 1.143 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.744 -5.733 2.890 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.233 -2.724 1.591 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.205 -3.342 -0.078 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.237 -4.123 1.143 1.00 0.00 H new ATOM 285 N VAL A 21 -4.770 -6.173 -1.847 1.00 0.00 N ATOM 286 CA VAL A 21 -4.732 -5.908 -3.281 1.00 0.00 C ATOM 287 C VAL A 21 -5.710 -4.802 -3.661 1.00 0.00 C ATOM 288 O VAL A 21 -6.914 -4.918 -3.434 1.00 0.00 O ATOM 289 CB VAL A 21 -5.064 -7.174 -4.094 1.00 0.00 C ATOM 290 CG1 VAL A 21 -5.230 -6.833 -5.567 1.00 0.00 C ATOM 291 CG2 VAL A 21 -3.985 -8.229 -3.901 1.00 0.00 C ATOM 0 H VAL A 21 -5.382 -6.942 -1.576 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.717 -5.589 -3.518 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.007 -7.582 -3.731 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.464 -7.739 -6.126 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.041 -6.114 -5.685 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.304 -6.401 -5.947 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.236 -9.116 -4.482 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.026 -7.834 -4.237 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.919 -8.493 -2.846 1.00 0.00 H new ATOM 301 N VAL A 22 -5.184 -3.729 -4.243 1.00 0.00 N ATOM 302 CA VAL A 22 -6.010 -2.601 -4.657 1.00 0.00 C ATOM 303 C VAL A 22 -6.024 -2.458 -6.175 1.00 0.00 C ATOM 304 O VAL A 22 -5.075 -2.853 -6.854 1.00 0.00 O ATOM 305 CB VAL A 22 -5.515 -1.283 -4.033 1.00 0.00 C ATOM 306 CG1 VAL A 22 -5.783 -1.267 -2.535 1.00 0.00 C ATOM 307 CG2 VAL A 22 -4.034 -1.081 -4.320 1.00 0.00 C ATOM 0 H VAL A 22 -4.189 -3.617 -4.439 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.021 -2.804 -4.304 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.066 -0.458 -4.485 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.426 -0.328 -2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.854 -1.362 -2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.261 -2.099 -2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.701 -0.145 -3.872 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.465 -1.909 -3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.874 -1.045 -5.398 1.00 0.00 H new ATOM 317 N ILE A 23 -7.104 -1.891 -6.700 1.00 0.00 N ATOM 318 CA ILE A 23 -7.240 -1.694 -8.138 1.00 0.00 C ATOM 319 C ILE A 23 -7.368 -0.214 -8.481 1.00 0.00 C ATOM 320 O ILE A 23 -7.969 0.557 -7.734 1.00 0.00 O ATOM 321 CB ILE A 23 -8.464 -2.446 -8.696 1.00 0.00 C ATOM 322 CG1 ILE A 23 -8.526 -3.862 -8.119 1.00 0.00 C ATOM 323 CG2 ILE A 23 -8.412 -2.488 -10.215 1.00 0.00 C ATOM 324 CD1 ILE A 23 -9.179 -3.932 -6.757 1.00 0.00 C ATOM 0 H ILE A 23 -7.898 -1.560 -6.152 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.336 -2.094 -8.598 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.367 -1.913 -8.398 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.075 -4.503 -8.809 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.514 -4.261 -8.049 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.283 -3.022 -10.594 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.411 -1.471 -10.607 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.505 -3.001 -10.534 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.188 -4.965 -6.410 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.618 -3.318 -6.053 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.202 -3.563 -6.825 1.00 0.00 H new ATOM 336 N ALA A 24 -6.799 0.176 -9.617 1.00 0.00 N ATOM 337 CA ALA A 24 -6.852 1.563 -10.061 1.00 0.00 C ATOM 338 C ALA A 24 -8.075 1.813 -10.936 1.00 0.00 C ATOM 339 O ALA A 24 -8.369 1.037 -11.847 1.00 0.00 O ATOM 340 CB ALA A 24 -5.580 1.925 -10.813 1.00 0.00 C ATOM 0 H ALA A 24 -6.296 -0.449 -10.246 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.933 2.198 -9.179 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.633 2.964 -11.139 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.720 1.794 -10.157 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.475 1.277 -11.683 1.00 0.00 H new ATOM 346 N LEU A 25 -8.787 2.899 -10.654 1.00 0.00 N ATOM 347 CA LEU A 25 -9.980 3.250 -11.415 1.00 0.00 C ATOM 348 C LEU A 25 -9.608 3.948 -12.720 1.00 0.00 C ATOM 349 O LEU A 25 -10.312 3.828 -13.723 1.00 0.00 O ATOM 350 CB LEU A 25 -10.892 4.153 -10.583 1.00 0.00 C ATOM 351 CG LEU A 25 -11.244 3.645 -9.184 1.00 0.00 C ATOM 352 CD1 LEU A 25 -11.555 4.809 -8.256 1.00 0.00 C ATOM 353 CD2 LEU A 25 -12.421 2.682 -9.247 1.00 0.00 C ATOM 0 H LEU A 25 -8.558 3.551 -9.904 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.511 2.329 -11.655 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.413 5.127 -10.484 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.819 4.308 -11.135 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.382 3.109 -8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.803 4.428 -7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.685 5.461 -8.186 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.400 5.373 -8.650 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.658 2.331 -8.243 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.288 3.193 -9.666 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.162 1.831 -9.877 1.00 0.00 H new ATOM 365 N TYR A 26 -8.497 4.676 -12.699 1.00 0.00 N ATOM 366 CA TYR A 26 -8.031 5.394 -13.879 1.00 0.00 C ATOM 367 C TYR A 26 -6.523 5.238 -14.051 1.00 0.00 C ATOM 368 O TYR A 26 -5.803 4.960 -13.092 1.00 0.00 O ATOM 369 CB TYR A 26 -8.394 6.876 -13.777 1.00 0.00 C ATOM 370 CG TYR A 26 -9.723 7.129 -13.104 1.00 0.00 C ATOM 371 CD1 TYR A 26 -9.807 7.296 -11.727 1.00 0.00 C ATOM 372 CD2 TYR A 26 -10.896 7.203 -13.845 1.00 0.00 C ATOM 373 CE1 TYR A 26 -11.020 7.526 -11.108 1.00 0.00 C ATOM 374 CE2 TYR A 26 -12.114 7.435 -13.234 1.00 0.00 C ATOM 375 CZ TYR A 26 -12.171 7.595 -11.866 1.00 0.00 C ATOM 376 OH TYR A 26 -13.381 7.826 -11.253 1.00 0.00 O ATOM 0 H TYR A 26 -7.902 4.784 -11.877 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.524 4.966 -14.752 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.612 7.396 -13.224 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.416 7.306 -14.778 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.908 7.245 -11.131 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.855 7.077 -14.917 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.067 7.651 -10.036 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.016 7.491 -13.825 1.00 0.00 H new ATOM 0 HH TYR A 26 -14.091 7.846 -11.928 1.00 0.00 H new ATOM 386 N ASP A 27 -6.053 5.420 -15.280 1.00 0.00 N ATOM 387 CA ASP A 27 -4.631 5.302 -15.580 1.00 0.00 C ATOM 388 C ASP A 27 -3.878 6.555 -15.145 1.00 0.00 C ATOM 389 O ASP A 27 -3.992 7.609 -15.771 1.00 0.00 O ATOM 390 CB ASP A 27 -4.421 5.060 -17.076 1.00 0.00 C ATOM 391 CG ASP A 27 -3.039 4.521 -17.387 1.00 0.00 C ATOM 392 OD1 ASP A 27 -2.095 5.332 -17.491 1.00 0.00 O ATOM 393 OD2 ASP A 27 -2.901 3.287 -17.528 1.00 0.00 O ATOM 0 H ASP A 27 -6.636 5.650 -16.085 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.238 4.451 -15.024 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.172 4.356 -17.436 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.574 5.994 -17.617 1.00 0.00 H new ATOM 398 N TYR A 28 -3.110 6.434 -14.068 1.00 0.00 N ATOM 399 CA TYR A 28 -2.341 7.557 -13.546 1.00 0.00 C ATOM 400 C TYR A 28 -0.974 7.642 -14.220 1.00 0.00 C ATOM 401 O TYR A 28 -0.342 6.622 -14.494 1.00 0.00 O ATOM 402 CB TYR A 28 -2.168 7.425 -12.032 1.00 0.00 C ATOM 403 CG TYR A 28 -1.442 8.592 -11.402 1.00 0.00 C ATOM 404 CD1 TYR A 28 -1.970 9.876 -11.457 1.00 0.00 C ATOM 405 CD2 TYR A 28 -0.228 8.410 -10.750 1.00 0.00 C ATOM 406 CE1 TYR A 28 -1.309 10.945 -10.883 1.00 0.00 C ATOM 407 CE2 TYR A 28 0.438 9.473 -10.171 1.00 0.00 C ATOM 408 CZ TYR A 28 -0.106 10.738 -10.241 1.00 0.00 C ATOM 409 OH TYR A 28 0.554 11.800 -9.666 1.00 0.00 O ATOM 0 H TYR A 28 -3.003 5.568 -13.539 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.891 8.473 -13.763 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.150 7.326 -11.570 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.620 6.508 -11.816 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.913 10.041 -11.957 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.202 7.421 -10.695 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.732 11.937 -10.937 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.380 9.314 -9.666 1.00 0.00 H new ATOM 0 HH TYR A 28 1.385 11.484 -9.254 1.00 0.00 H new ATOM 507 N GLU A 35 7.309 9.135 -8.210 1.00 0.00 N ATOM 508 CA GLU A 35 5.919 8.707 -8.319 1.00 0.00 C ATOM 509 C GLU A 35 5.766 7.621 -9.380 1.00 0.00 C ATOM 510 O GLU A 35 6.461 7.628 -10.397 1.00 0.00 O ATOM 511 CB GLU A 35 5.021 9.898 -8.660 1.00 0.00 C ATOM 512 CG GLU A 35 4.710 10.786 -7.467 1.00 0.00 C ATOM 513 CD GLU A 35 5.837 11.750 -7.148 1.00 0.00 C ATOM 514 OE1 GLU A 35 5.921 12.805 -7.811 1.00 0.00 O ATOM 515 OE2 GLU A 35 6.634 11.449 -6.236 1.00 0.00 O ATOM 0 HA GLU A 35 5.615 8.296 -7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.504 10.497 -9.432 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.086 9.529 -9.081 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.799 11.351 -7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.513 10.162 -6.595 1.00 0.00 H new ATOM 522 N LEU A 36 4.853 6.688 -9.135 1.00 0.00 N ATOM 523 CA LEU A 36 4.607 5.594 -10.068 1.00 0.00 C ATOM 524 C LEU A 36 3.348 5.850 -10.890 1.00 0.00 C ATOM 525 O LEU A 36 2.413 6.502 -10.424 1.00 0.00 O ATOM 526 CB LEU A 36 4.475 4.271 -9.311 1.00 0.00 C ATOM 527 CG LEU A 36 4.024 3.066 -10.138 1.00 0.00 C ATOM 528 CD1 LEU A 36 5.222 2.370 -10.764 1.00 0.00 C ATOM 529 CD2 LEU A 36 3.231 2.095 -9.276 1.00 0.00 C ATOM 0 H LEU A 36 4.271 6.667 -8.298 1.00 0.00 H new ATOM 0 HA LEU A 36 5.456 5.533 -10.749 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.439 4.036 -8.860 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.767 4.412 -8.495 1.00 0.00 H new ATOM 0 HG LEU A 36 3.377 3.421 -10.940 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.882 1.515 -11.349 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.749 3.068 -11.415 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.895 2.027 -9.978 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.918 1.244 -9.881 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.855 1.746 -8.453 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.351 2.599 -8.876 1.00 0.00 H new ATOM 541 N ALA A 37 3.330 5.332 -12.113 1.00 0.00 N ATOM 542 CA ALA A 37 2.184 5.502 -12.998 1.00 0.00 C ATOM 543 C ALA A 37 1.277 4.276 -12.963 1.00 0.00 C ATOM 544 O ALA A 37 1.589 3.243 -13.558 1.00 0.00 O ATOM 545 CB ALA A 37 2.650 5.775 -14.420 1.00 0.00 C ATOM 0 H ALA A 37 4.096 4.791 -12.514 1.00 0.00 H new ATOM 0 HA ALA A 37 1.609 6.358 -12.646 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.783 5.900 -15.069 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.251 6.684 -14.438 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.250 4.937 -14.773 1.00 0.00 H new ATOM 551 N LEU A 38 0.155 4.395 -12.263 1.00 0.00 N ATOM 552 CA LEU A 38 -0.797 3.296 -12.150 1.00 0.00 C ATOM 553 C LEU A 38 -1.408 2.963 -13.508 1.00 0.00 C ATOM 554 O LEU A 38 -1.348 3.764 -14.440 1.00 0.00 O ATOM 555 CB LEU A 38 -1.903 3.653 -11.155 1.00 0.00 C ATOM 556 CG LEU A 38 -1.541 3.523 -9.675 1.00 0.00 C ATOM 557 CD1 LEU A 38 -2.602 4.182 -8.806 1.00 0.00 C ATOM 558 CD2 LEU A 38 -1.371 2.060 -9.294 1.00 0.00 C ATOM 0 H LEU A 38 -0.118 5.242 -11.765 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.260 2.419 -11.788 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.216 4.680 -11.343 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.764 3.016 -11.355 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.593 4.034 -9.506 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.328 4.080 -7.756 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.675 5.239 -9.060 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.564 3.700 -8.978 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.114 1.987 -8.237 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.303 1.525 -9.478 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.575 1.618 -9.893 1.00 0.00 H new ATOM 570 N ARG A 39 -1.997 1.776 -13.610 1.00 0.00 N ATOM 571 CA ARG A 39 -2.619 1.337 -14.853 1.00 0.00 C ATOM 572 C ARG A 39 -4.107 1.067 -14.651 1.00 0.00 C ATOM 573 O ARG A 39 -4.524 0.593 -13.594 1.00 0.00 O ATOM 574 CB ARG A 39 -1.929 0.077 -15.377 1.00 0.00 C ATOM 575 CG ARG A 39 -2.448 -0.385 -16.729 1.00 0.00 C ATOM 576 CD ARG A 39 -1.727 0.314 -17.871 1.00 0.00 C ATOM 577 NE ARG A 39 -0.409 -0.264 -18.122 1.00 0.00 N ATOM 578 CZ ARG A 39 0.513 0.312 -18.885 1.00 0.00 C ATOM 579 NH1 ARG A 39 0.262 1.476 -19.469 1.00 0.00 N ATOM 580 NH2 ARG A 39 1.689 -0.275 -19.065 1.00 0.00 N ATOM 0 H ARG A 39 -2.056 1.102 -12.847 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.508 2.136 -15.586 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.858 0.265 -15.453 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.061 -0.727 -14.653 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.318 -1.463 -16.821 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.518 -0.186 -16.797 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.331 0.247 -18.776 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.620 1.373 -17.638 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.185 -1.159 -17.687 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.641 1.931 -19.333 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.972 1.916 -20.054 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.886 -1.170 -18.617 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.396 0.169 -19.651 1.00 0.00 H new ATOM 594 N ARG A 40 -4.903 1.374 -15.670 1.00 0.00 N ATOM 595 CA ARG A 40 -6.345 1.166 -15.603 1.00 0.00 C ATOM 596 C ARG A 40 -6.679 -0.322 -15.564 1.00 0.00 C ATOM 597 O ARG A 40 -6.138 -1.110 -16.339 1.00 0.00 O ATOM 598 CB ARG A 40 -7.032 1.823 -16.802 1.00 0.00 C ATOM 599 CG ARG A 40 -8.544 1.664 -16.799 1.00 0.00 C ATOM 600 CD ARG A 40 -9.227 2.820 -17.512 1.00 0.00 C ATOM 601 NE ARG A 40 -9.396 2.560 -18.939 1.00 0.00 N ATOM 602 CZ ARG A 40 -10.355 1.786 -19.436 1.00 0.00 C ATOM 603 NH1 ARG A 40 -11.225 1.200 -18.626 1.00 0.00 N ATOM 604 NH2 ARG A 40 -10.444 1.598 -20.747 1.00 0.00 N ATOM 0 H ARG A 40 -4.574 1.768 -16.552 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.711 1.626 -14.685 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.787 2.885 -16.814 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.632 1.393 -17.720 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.813 0.726 -17.284 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.903 1.606 -15.771 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.202 3.000 -17.059 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.639 3.728 -17.376 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.743 2.996 -19.589 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.160 1.343 -17.618 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.960 0.606 -19.010 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.776 2.048 -21.373 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.180 1.004 -21.128 1.00 0.00 H new ATOM 618 N ASN A 41 -7.572 -0.699 -14.655 1.00 0.00 N ATOM 619 CA ASN A 41 -7.977 -2.093 -14.514 1.00 0.00 C ATOM 620 C ASN A 41 -6.781 -2.975 -14.167 1.00 0.00 C ATOM 621 O ASN A 41 -6.540 -3.992 -14.815 1.00 0.00 O ATOM 622 CB ASN A 41 -8.633 -2.588 -15.804 1.00 0.00 C ATOM 623 CG ASN A 41 -10.114 -2.267 -15.861 1.00 0.00 C ATOM 624 OD1 ASN A 41 -10.904 -3.024 -16.426 1.00 0.00 O ATOM 625 ND2 ASN A 41 -10.497 -1.139 -15.273 1.00 0.00 N ATOM 0 H ASN A 41 -8.029 -0.059 -14.005 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.699 -2.155 -13.700 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.133 -2.134 -16.660 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.494 -3.666 -15.888 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.481 -0.870 -15.278 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.807 -0.542 -14.817 1.00 0.00 H new ATOM 632 N GLU A 42 -6.037 -2.576 -13.140 1.00 0.00 N ATOM 633 CA GLU A 42 -4.867 -3.330 -12.708 1.00 0.00 C ATOM 634 C GLU A 42 -4.776 -3.368 -11.185 1.00 0.00 C ATOM 635 O GLU A 42 -5.102 -2.393 -10.510 1.00 0.00 O ATOM 636 CB GLU A 42 -3.592 -2.716 -13.291 1.00 0.00 C ATOM 637 CG GLU A 42 -3.203 -3.290 -14.642 1.00 0.00 C ATOM 638 CD GLU A 42 -2.594 -4.675 -14.534 1.00 0.00 C ATOM 639 OE1 GLU A 42 -1.846 -4.920 -13.564 1.00 0.00 O ATOM 640 OE2 GLU A 42 -2.866 -5.514 -15.418 1.00 0.00 O ATOM 0 H GLU A 42 -6.224 -1.736 -12.593 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.970 -4.351 -13.074 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.729 -1.639 -13.389 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.771 -2.870 -12.590 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.085 -3.334 -15.281 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.491 -2.621 -15.126 1.00 0.00 H new ATOM 647 N GLU A 43 -4.330 -4.502 -10.652 1.00 0.00 N ATOM 648 CA GLU A 43 -4.198 -4.667 -9.210 1.00 0.00 C ATOM 649 C GLU A 43 -2.791 -4.298 -8.747 1.00 0.00 C ATOM 650 O GLU A 43 -1.841 -4.325 -9.529 1.00 0.00 O ATOM 651 CB GLU A 43 -4.517 -6.108 -8.807 1.00 0.00 C ATOM 652 CG GLU A 43 -5.917 -6.552 -9.196 1.00 0.00 C ATOM 653 CD GLU A 43 -5.976 -7.144 -10.591 1.00 0.00 C ATOM 654 OE1 GLU A 43 -4.994 -7.797 -11.000 1.00 0.00 O ATOM 655 OE2 GLU A 43 -7.005 -6.954 -11.272 1.00 0.00 O ATOM 0 H GLU A 43 -4.054 -5.319 -11.197 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.909 -3.997 -8.727 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.791 -6.776 -9.271 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.399 -6.209 -7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.273 -7.290 -8.477 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.593 -5.699 -9.139 1.00 0.00 H new ATOM 662 N TYR A 44 -2.666 -3.953 -7.470 1.00 0.00 N ATOM 663 CA TYR A 44 -1.377 -3.576 -6.902 1.00 0.00 C ATOM 664 C TYR A 44 -1.292 -3.973 -5.432 1.00 0.00 C ATOM 665 O TYR A 44 -2.294 -3.963 -4.716 1.00 0.00 O ATOM 666 CB TYR A 44 -1.153 -2.070 -7.049 1.00 0.00 C ATOM 667 CG TYR A 44 -1.105 -1.602 -8.486 1.00 0.00 C ATOM 668 CD1 TYR A 44 -2.256 -1.558 -9.262 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.093 -1.205 -9.068 1.00 0.00 C ATOM 670 CE1 TYR A 44 -2.217 -1.132 -10.576 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.142 -0.776 -10.380 1.00 0.00 C ATOM 672 CZ TYR A 44 -1.015 -0.741 -11.130 1.00 0.00 C ATOM 673 OH TYR A 44 -0.971 -0.316 -12.438 1.00 0.00 O ATOM 0 H TYR A 44 -3.442 -3.927 -6.809 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.598 -4.108 -7.448 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.951 -1.540 -6.530 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.219 -1.800 -6.557 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.198 -1.862 -8.831 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.001 -1.232 -8.484 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.121 -1.105 -11.166 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.081 -0.470 -10.816 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.050 -0.076 -12.673 1.00 0.00 H new ATOM 683 N CYS A 45 -0.089 -4.322 -4.989 1.00 0.00 N ATOM 684 CA CYS A 45 0.129 -4.724 -3.604 1.00 0.00 C ATOM 685 C CYS A 45 0.473 -3.518 -2.736 1.00 0.00 C ATOM 686 O CYS A 45 1.473 -2.837 -2.969 1.00 0.00 O ATOM 687 CB CYS A 45 1.248 -5.762 -3.523 1.00 0.00 C ATOM 688 SG CYS A 45 1.592 -6.348 -1.847 1.00 0.00 S ATOM 0 H CYS A 45 0.750 -4.335 -5.569 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.794 -5.166 -3.230 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.983 -6.615 -4.147 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.159 -5.332 -3.940 1.00 0.00 H new ATOM 0 HG CYS A 45 2.552 -7.224 -1.882 1.00 0.00 H new ATOM 694 N LEU A 46 -0.362 -3.257 -1.737 1.00 0.00 N ATOM 695 CA LEU A 46 -0.147 -2.132 -0.834 1.00 0.00 C ATOM 696 C LEU A 46 1.026 -2.401 0.103 1.00 0.00 C ATOM 697 O LEU A 46 1.006 -3.357 0.881 1.00 0.00 O ATOM 698 CB LEU A 46 -1.413 -1.857 -0.020 1.00 0.00 C ATOM 699 CG LEU A 46 -1.295 -0.783 1.063 1.00 0.00 C ATOM 700 CD1 LEU A 46 -0.927 0.558 0.446 1.00 0.00 C ATOM 701 CD2 LEU A 46 -2.593 -0.673 1.849 1.00 0.00 C ATOM 0 H LEU A 46 -1.195 -3.809 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 46 0.088 -1.255 -1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.207 -1.565 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.727 -2.788 0.452 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.501 -1.073 1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.847 1.310 1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.029 0.471 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.698 0.855 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.491 0.096 2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.406 -0.406 1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.814 -1.630 2.322 1.00 0.00 H new ATOM 713 N LEU A 47 2.045 -1.552 0.027 1.00 0.00 N ATOM 714 CA LEU A 47 3.226 -1.697 0.870 1.00 0.00 C ATOM 715 C LEU A 47 3.088 -0.874 2.147 1.00 0.00 C ATOM 716 O LEU A 47 2.999 -1.423 3.245 1.00 0.00 O ATOM 717 CB LEU A 47 4.479 -1.267 0.105 1.00 0.00 C ATOM 718 CG LEU A 47 4.922 -2.189 -1.031 1.00 0.00 C ATOM 719 CD1 LEU A 47 5.624 -1.395 -2.121 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.830 -3.289 -0.501 1.00 0.00 C ATOM 0 H LEU A 47 2.077 -0.756 -0.610 1.00 0.00 H new ATOM 0 HA LEU A 47 3.319 -2.748 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.305 -0.273 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.301 -1.178 0.815 1.00 0.00 H new ATOM 0 HG LEU A 47 4.035 -2.653 -1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.932 -2.069 -2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.942 -0.645 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.502 -0.902 -1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.136 -3.936 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.713 -2.843 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.293 -3.877 0.243 1.00 0.00 H new ATOM 732 N ASP A 48 3.069 0.445 1.994 1.00 0.00 N ATOM 733 CA ASP A 48 2.939 1.345 3.135 1.00 0.00 C ATOM 734 C ASP A 48 1.884 2.414 2.865 1.00 0.00 C ATOM 735 O ASP A 48 2.007 3.197 1.923 1.00 0.00 O ATOM 736 CB ASP A 48 4.283 2.004 3.448 1.00 0.00 C ATOM 737 CG ASP A 48 4.352 2.530 4.868 1.00 0.00 C ATOM 738 OD1 ASP A 48 3.326 3.043 5.362 1.00 0.00 O ATOM 739 OD2 ASP A 48 5.432 2.429 5.486 1.00 0.00 O ATOM 0 H ASP A 48 3.142 0.915 1.092 1.00 0.00 H new ATOM 0 HA ASP A 48 2.623 0.757 3.997 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.084 1.281 3.292 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.453 2.824 2.751 1.00 0.00 H new ATOM 744 N SER A 49 0.849 2.440 3.698 1.00 0.00 N ATOM 745 CA SER A 49 -0.229 3.410 3.547 1.00 0.00 C ATOM 746 C SER A 49 -0.079 4.550 4.550 1.00 0.00 C ATOM 747 O SER A 49 -1.066 5.153 4.973 1.00 0.00 O ATOM 748 CB SER A 49 -1.586 2.728 3.732 1.00 0.00 C ATOM 749 OG SER A 49 -1.710 2.183 5.034 1.00 0.00 O ATOM 0 H SER A 49 0.734 1.801 4.484 1.00 0.00 H new ATOM 0 HA SER A 49 -0.173 3.825 2.541 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.385 3.449 3.558 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.703 1.937 2.991 1.00 0.00 H new ATOM 0 HG SER A 49 -2.586 1.754 5.127 1.00 0.00 H new ATOM 755 N SER A 50 1.162 4.839 4.927 1.00 0.00 N ATOM 756 CA SER A 50 1.442 5.903 5.884 1.00 0.00 C ATOM 757 C SER A 50 0.555 7.116 5.622 1.00 0.00 C ATOM 758 O SER A 50 -0.189 7.554 6.499 1.00 0.00 O ATOM 759 CB SER A 50 2.916 6.309 5.810 1.00 0.00 C ATOM 760 OG SER A 50 3.753 5.286 6.320 1.00 0.00 O ATOM 0 H SER A 50 1.990 4.351 4.584 1.00 0.00 H new ATOM 0 HA SER A 50 1.226 5.526 6.884 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.186 6.522 4.776 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.072 7.227 6.376 1.00 0.00 H new ATOM 0 HG SER A 50 3.339 4.413 6.158 1.00 0.00 H new ATOM 766 N GLU A 51 0.641 7.654 4.409 1.00 0.00 N ATOM 767 CA GLU A 51 -0.154 8.817 4.032 1.00 0.00 C ATOM 768 C GLU A 51 -1.567 8.404 3.632 1.00 0.00 C ATOM 769 O GLU A 51 -1.913 7.223 3.668 1.00 0.00 O ATOM 770 CB GLU A 51 0.516 9.567 2.879 1.00 0.00 C ATOM 771 CG GLU A 51 1.501 10.630 3.334 1.00 0.00 C ATOM 772 CD GLU A 51 2.373 11.140 2.204 1.00 0.00 C ATOM 773 OE1 GLU A 51 1.949 12.087 1.509 1.00 0.00 O ATOM 774 OE2 GLU A 51 3.479 10.593 2.013 1.00 0.00 O ATOM 0 H GLU A 51 1.252 7.303 3.672 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.219 9.477 4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.036 8.850 2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.254 10.036 2.266 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.953 11.465 3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.135 10.220 4.120 1.00 0.00 H new ATOM 781 N ILE A 52 -2.379 9.385 3.252 1.00 0.00 N ATOM 782 CA ILE A 52 -3.754 9.124 2.846 1.00 0.00 C ATOM 783 C ILE A 52 -3.950 9.402 1.359 1.00 0.00 C ATOM 784 O ILE A 52 -4.500 8.577 0.629 1.00 0.00 O ATOM 785 CB ILE A 52 -4.751 9.977 3.652 1.00 0.00 C ATOM 786 CG1 ILE A 52 -4.608 9.690 5.148 1.00 0.00 C ATOM 787 CG2 ILE A 52 -6.175 9.706 3.189 1.00 0.00 C ATOM 788 CD1 ILE A 52 -5.437 10.606 6.021 1.00 0.00 C ATOM 0 H ILE A 52 -2.108 10.368 3.217 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.947 8.070 3.045 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.528 11.030 3.480 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.898 8.657 5.341 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.559 9.785 5.429 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.868 10.316 3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.268 9.956 2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.411 8.652 3.335 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.286 10.345 7.068 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.132 11.639 5.857 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.491 10.495 5.767 1.00 0.00 H new ATOM 800 N HIS A 53 -3.494 10.570 0.916 1.00 0.00 N ATOM 801 CA HIS A 53 -3.616 10.957 -0.485 1.00 0.00 C ATOM 802 C HIS A 53 -2.561 10.257 -1.336 1.00 0.00 C ATOM 803 O HIS A 53 -2.795 9.951 -2.505 1.00 0.00 O ATOM 804 CB HIS A 53 -3.483 12.473 -0.631 1.00 0.00 C ATOM 805 CG HIS A 53 -4.214 13.243 0.426 1.00 0.00 C ATOM 806 ND1 HIS A 53 -5.572 13.475 0.385 1.00 0.00 N ATOM 807 CD2 HIS A 53 -3.767 13.833 1.560 1.00 0.00 C ATOM 808 CE1 HIS A 53 -5.929 14.176 1.446 1.00 0.00 C ATOM 809 NE2 HIS A 53 -4.852 14.406 2.175 1.00 0.00 N ATOM 0 H HIS A 53 -3.037 11.264 1.507 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.602 10.651 -0.836 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.427 12.742 -0.600 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.858 12.770 -1.610 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.747 13.850 1.914 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.931 14.505 1.678 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.830 14.925 3.053 1.00 0.00 H new ATOM 818 N TRP A 54 -1.399 10.009 -0.742 1.00 0.00 N ATOM 819 CA TRP A 54 -0.307 9.346 -1.447 1.00 0.00 C ATOM 820 C TRP A 54 0.015 7.999 -0.809 1.00 0.00 C ATOM 821 O TRP A 54 0.575 7.939 0.286 1.00 0.00 O ATOM 822 CB TRP A 54 0.939 10.234 -1.449 1.00 0.00 C ATOM 823 CG TRP A 54 0.706 11.582 -2.062 1.00 0.00 C ATOM 824 CD1 TRP A 54 0.694 12.785 -1.416 1.00 0.00 C ATOM 825 CD2 TRP A 54 0.451 11.863 -3.442 1.00 0.00 C ATOM 826 NE1 TRP A 54 0.447 13.797 -2.311 1.00 0.00 N ATOM 827 CE2 TRP A 54 0.295 13.258 -3.561 1.00 0.00 C ATOM 828 CE3 TRP A 54 0.341 11.073 -4.590 1.00 0.00 C ATOM 829 CZ2 TRP A 54 0.033 13.876 -4.781 1.00 0.00 C ATOM 830 CZ3 TRP A 54 0.081 11.688 -5.800 1.00 0.00 C ATOM 831 CH2 TRP A 54 -0.069 13.078 -5.888 1.00 0.00 C ATOM 0 H TRP A 54 -1.189 10.257 0.225 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.624 9.173 -2.476 1.00 0.00 H new ATOM 0 HB2 TRP A 54 1.286 10.364 -0.424 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.736 9.728 -1.993 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.855 12.921 -0.357 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.387 14.789 -2.082 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.457 10.001 -4.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.086 14.947 -4.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.008 11.087 -6.693 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.269 13.529 -6.849 1.00 0.00 H new ATOM 842 N TRP A 55 -0.343 6.923 -1.499 1.00 0.00 N ATOM 843 CA TRP A 55 -0.092 5.576 -0.998 1.00 0.00 C ATOM 844 C TRP A 55 1.072 4.928 -1.740 1.00 0.00 C ATOM 845 O TRP A 55 1.249 5.137 -2.940 1.00 0.00 O ATOM 846 CB TRP A 55 -1.347 4.714 -1.141 1.00 0.00 C ATOM 847 CG TRP A 55 -2.294 4.847 0.013 1.00 0.00 C ATOM 848 CD1 TRP A 55 -2.146 5.654 1.105 1.00 0.00 C ATOM 849 CD2 TRP A 55 -3.532 4.152 0.190 1.00 0.00 C ATOM 850 NE1 TRP A 55 -3.219 5.502 1.950 1.00 0.00 N ATOM 851 CE2 TRP A 55 -4.084 4.587 1.411 1.00 0.00 C ATOM 852 CE3 TRP A 55 -4.231 3.205 -0.565 1.00 0.00 C ATOM 853 CZ2 TRP A 55 -5.299 4.106 1.892 1.00 0.00 C ATOM 854 CZ3 TRP A 55 -5.436 2.729 -0.086 1.00 0.00 C ATOM 855 CH2 TRP A 55 -5.961 3.180 1.133 1.00 0.00 C ATOM 0 H TRP A 55 -0.808 6.956 -2.406 1.00 0.00 H new ATOM 0 HA TRP A 55 0.170 5.651 0.057 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -1.865 4.989 -2.060 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -1.052 3.669 -1.241 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -1.309 6.314 1.279 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -3.350 5.991 2.835 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.836 2.852 -1.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.705 4.452 2.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.983 1.997 -0.661 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.906 2.789 1.480 1.00 0.00 H new ATOM 866 N ARG A 56 1.863 4.141 -1.018 1.00 0.00 N ATOM 867 CA ARG A 56 3.011 3.463 -1.609 1.00 0.00 C ATOM 868 C ARG A 56 2.684 2.004 -1.913 1.00 0.00 C ATOM 869 O ARG A 56 2.467 1.203 -1.004 1.00 0.00 O ATOM 870 CB ARG A 56 4.216 3.541 -0.669 1.00 0.00 C ATOM 871 CG ARG A 56 5.553 3.425 -1.382 1.00 0.00 C ATOM 872 CD ARG A 56 6.704 3.323 -0.394 1.00 0.00 C ATOM 873 NE ARG A 56 7.999 3.255 -1.067 1.00 0.00 N ATOM 874 CZ ARG A 56 9.160 3.219 -0.423 1.00 0.00 C ATOM 875 NH1 ARG A 56 9.189 3.244 0.902 1.00 0.00 N ATOM 876 NH2 ARG A 56 10.297 3.157 -1.106 1.00 0.00 N ATOM 0 H ARG A 56 1.730 3.957 -0.024 1.00 0.00 H new ATOM 0 HA ARG A 56 3.255 3.965 -2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.183 4.487 -0.128 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.139 2.746 0.073 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.547 2.547 -2.028 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.700 4.293 -2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.687 4.185 0.273 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.571 2.437 0.227 1.00 0.00 H new ATOM 0 HE ARG A 56 8.012 3.234 -2.087 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.318 3.291 1.430 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.083 3.216 1.393 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.279 3.137 -2.126 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.188 3.129 -0.611 1.00 0.00 H new ATOM 890 N VAL A 57 2.650 1.666 -3.199 1.00 0.00 N ATOM 891 CA VAL A 57 2.350 0.304 -3.623 1.00 0.00 C ATOM 892 C VAL A 57 3.361 -0.185 -4.654 1.00 0.00 C ATOM 893 O VAL A 57 4.131 0.601 -5.204 1.00 0.00 O ATOM 894 CB VAL A 57 0.934 0.201 -4.220 1.00 0.00 C ATOM 895 CG1 VAL A 57 -0.101 0.719 -3.232 1.00 0.00 C ATOM 896 CG2 VAL A 57 0.854 0.961 -5.535 1.00 0.00 C ATOM 0 H VAL A 57 2.827 2.317 -3.964 1.00 0.00 H new ATOM 0 HA VAL A 57 2.408 -0.325 -2.734 1.00 0.00 H new ATOM 0 HB VAL A 57 0.718 -0.849 -4.419 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.095 0.638 -3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.059 0.127 -2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.109 1.763 -2.999 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.153 0.878 -5.943 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.090 2.011 -5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.568 0.540 -6.243 1.00 0.00 H new ATOM 906 N GLN A 58 3.352 -1.490 -4.911 1.00 0.00 N ATOM 907 CA GLN A 58 4.268 -2.084 -5.877 1.00 0.00 C ATOM 908 C GLN A 58 3.503 -2.747 -7.017 1.00 0.00 C ATOM 909 O GLN A 58 2.610 -3.563 -6.786 1.00 0.00 O ATOM 910 CB GLN A 58 5.172 -3.109 -5.189 1.00 0.00 C ATOM 911 CG GLN A 58 6.124 -3.816 -6.141 1.00 0.00 C ATOM 912 CD GLN A 58 6.994 -4.841 -5.441 1.00 0.00 C ATOM 913 OE1 GLN A 58 7.073 -5.996 -5.862 1.00 0.00 O ATOM 914 NE2 GLN A 58 7.654 -4.424 -4.367 1.00 0.00 N ATOM 0 H GLN A 58 2.721 -2.155 -4.464 1.00 0.00 H new ATOM 0 HA GLN A 58 4.884 -1.287 -6.294 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.752 -2.608 -4.414 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.550 -3.853 -4.691 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.549 -4.308 -6.925 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.760 -3.077 -6.628 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.559 -3.458 -4.053 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.256 -5.070 -3.856 1.00 0.00 H new ATOM 923 N ASP A 59 3.858 -2.392 -8.247 1.00 0.00 N ATOM 924 CA ASP A 59 3.205 -2.953 -9.423 1.00 0.00 C ATOM 925 C ASP A 59 3.618 -4.407 -9.632 1.00 0.00 C ATOM 926 O ASP A 59 4.390 -4.962 -8.850 1.00 0.00 O ATOM 927 CB ASP A 59 3.549 -2.129 -10.665 1.00 0.00 C ATOM 928 CG ASP A 59 5.016 -1.751 -10.722 1.00 0.00 C ATOM 929 OD1 ASP A 59 5.853 -2.653 -10.936 1.00 0.00 O ATOM 930 OD2 ASP A 59 5.327 -0.554 -10.550 1.00 0.00 O ATOM 0 H ASP A 59 4.595 -1.718 -8.455 1.00 0.00 H new ATOM 0 HA ASP A 59 2.128 -2.920 -9.261 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.288 -2.697 -11.558 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.943 -1.223 -10.676 1.00 0.00 H new ATOM 935 N ARG A 60 3.097 -5.018 -10.691 1.00 0.00 N ATOM 936 CA ARG A 60 3.410 -6.408 -11.002 1.00 0.00 C ATOM 937 C ARG A 60 4.836 -6.541 -11.527 1.00 0.00 C ATOM 938 O ARG A 60 5.443 -7.608 -11.443 1.00 0.00 O ATOM 939 CB ARG A 60 2.422 -6.957 -12.032 1.00 0.00 C ATOM 940 CG ARG A 60 2.486 -6.248 -13.375 1.00 0.00 C ATOM 941 CD ARG A 60 1.638 -6.957 -14.420 1.00 0.00 C ATOM 942 NE ARG A 60 1.443 -6.138 -15.614 1.00 0.00 N ATOM 943 CZ ARG A 60 0.848 -6.577 -16.717 1.00 0.00 C ATOM 944 NH1 ARG A 60 0.391 -7.820 -16.778 1.00 0.00 N ATOM 945 NH2 ARG A 60 0.707 -5.771 -17.762 1.00 0.00 N ATOM 0 H ARG A 60 2.456 -4.573 -11.348 1.00 0.00 H new ATOM 0 HA ARG A 60 3.325 -6.987 -10.083 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.618 -8.019 -12.181 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.411 -6.873 -11.634 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.142 -5.220 -13.262 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.521 -6.202 -13.715 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.116 -7.896 -14.699 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.668 -7.208 -13.990 1.00 0.00 H new ATOM 0 HE ARG A 60 1.783 -5.176 -15.600 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.496 -8.442 -15.976 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.066 -8.154 -17.627 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.056 -4.813 -17.718 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.250 -6.109 -18.609 1.00 0.00 H new ATOM 959 N ASN A 61 5.365 -5.449 -12.071 1.00 0.00 N ATOM 960 CA ASN A 61 6.719 -5.443 -12.611 1.00 0.00 C ATOM 961 C ASN A 61 7.753 -5.504 -11.490 1.00 0.00 C ATOM 962 O ASN A 61 8.757 -6.206 -11.596 1.00 0.00 O ATOM 963 CB ASN A 61 6.946 -4.192 -13.462 1.00 0.00 C ATOM 964 CG ASN A 61 6.291 -4.293 -14.826 1.00 0.00 C ATOM 965 OD1 ASN A 61 5.360 -5.075 -15.023 1.00 0.00 O ATOM 966 ND2 ASN A 61 6.775 -3.500 -15.775 1.00 0.00 N ATOM 0 H ASN A 61 4.876 -4.557 -12.149 1.00 0.00 H new ATOM 0 HA ASN A 61 6.837 -6.327 -13.238 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.552 -3.322 -12.936 1.00 0.00 H new ATOM 0 HB3 ASN A 61 8.017 -4.031 -13.587 1.00 0.00 H new ATOM 0 HD21 ASN A 61 6.374 -3.523 -16.713 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.548 -2.868 -15.566 1.00 0.00 H new ATOM 973 N GLY A 62 7.497 -4.764 -10.416 1.00 0.00 N ATOM 974 CA GLY A 62 8.413 -4.748 -9.291 1.00 0.00 C ATOM 975 C GLY A 62 8.828 -3.343 -8.900 1.00 0.00 C ATOM 976 O GLY A 62 9.730 -3.159 -8.082 1.00 0.00 O ATOM 0 H GLY A 62 6.672 -4.175 -10.305 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.943 -5.235 -8.437 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.301 -5.329 -9.541 1.00 0.00 H new ATOM 980 N HIS A 63 8.169 -2.349 -9.487 1.00 0.00 N ATOM 981 CA HIS A 63 8.475 -0.953 -9.196 1.00 0.00 C ATOM 982 C HIS A 63 7.487 -0.379 -8.186 1.00 0.00 C ATOM 983 O HIS A 63 6.470 -1.000 -7.877 1.00 0.00 O ATOM 984 CB HIS A 63 8.447 -0.124 -10.481 1.00 0.00 C ATOM 985 CG HIS A 63 8.901 -0.880 -11.691 1.00 0.00 C ATOM 986 ND1 HIS A 63 8.339 -0.711 -12.939 1.00 0.00 N ATOM 987 CD2 HIS A 63 9.871 -1.813 -11.841 1.00 0.00 C ATOM 988 CE1 HIS A 63 8.942 -1.508 -13.803 1.00 0.00 C ATOM 989 NE2 HIS A 63 9.876 -2.187 -13.162 1.00 0.00 N ATOM 0 H HIS A 63 7.420 -2.484 -10.166 1.00 0.00 H new ATOM 0 HA HIS A 63 9.475 -0.909 -8.765 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.432 0.238 -10.648 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.081 0.753 -10.352 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.520 -2.192 -11.066 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.711 -1.590 -14.855 1.00 0.00 H new ATOM 0 HE2 HIS A 63 10.500 -2.877 -13.580 1.00 0.00 H new ATOM 998 N GLU A 64 7.794 0.809 -7.673 1.00 0.00 N ATOM 999 CA GLU A 64 6.932 1.464 -6.696 1.00 0.00 C ATOM 1000 C GLU A 64 6.903 2.973 -6.922 1.00 0.00 C ATOM 1001 O GLU A 64 7.646 3.503 -7.747 1.00 0.00 O ATOM 1002 CB GLU A 64 7.411 1.159 -5.275 1.00 0.00 C ATOM 1003 CG GLU A 64 7.568 -0.325 -4.991 1.00 0.00 C ATOM 1004 CD GLU A 64 8.357 -0.597 -3.725 1.00 0.00 C ATOM 1005 OE1 GLU A 64 8.232 0.194 -2.767 1.00 0.00 O ATOM 1006 OE2 GLU A 64 9.099 -1.601 -3.694 1.00 0.00 O ATOM 0 H GLU A 64 8.632 1.337 -7.918 1.00 0.00 H new ATOM 0 HA GLU A 64 5.921 1.075 -6.822 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.367 1.655 -5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.703 1.584 -4.563 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.582 -0.781 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.067 -0.802 -5.835 1.00 0.00 H new ATOM 1013 N GLY A 65 6.038 3.660 -6.182 1.00 0.00 N ATOM 1014 CA GLY A 65 5.926 5.101 -6.316 1.00 0.00 C ATOM 1015 C GLY A 65 4.706 5.656 -5.610 1.00 0.00 C ATOM 1016 O GLY A 65 3.719 4.948 -5.412 1.00 0.00 O ATOM 0 H GLY A 65 5.413 3.244 -5.492 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.822 5.571 -5.910 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.880 5.362 -7.373 1.00 0.00 H new ATOM 1020 N TYR A 66 4.772 6.927 -5.228 1.00 0.00 N ATOM 1021 CA TYR A 66 3.666 7.576 -4.536 1.00 0.00 C ATOM 1022 C TYR A 66 2.487 7.796 -5.479 1.00 0.00 C ATOM 1023 O TYR A 66 2.484 8.731 -6.280 1.00 0.00 O ATOM 1024 CB TYR A 66 4.119 8.913 -3.947 1.00 0.00 C ATOM 1025 CG TYR A 66 5.052 8.769 -2.766 1.00 0.00 C ATOM 1026 CD1 TYR A 66 4.736 7.932 -1.704 1.00 0.00 C ATOM 1027 CD2 TYR A 66 6.250 9.472 -2.713 1.00 0.00 C ATOM 1028 CE1 TYR A 66 5.586 7.798 -0.623 1.00 0.00 C ATOM 1029 CE2 TYR A 66 7.106 9.343 -1.637 1.00 0.00 C ATOM 1030 CZ TYR A 66 6.770 8.505 -0.594 1.00 0.00 C ATOM 1031 OH TYR A 66 7.619 8.375 0.481 1.00 0.00 O ATOM 0 H TYR A 66 5.581 7.528 -5.386 1.00 0.00 H new ATOM 0 HA TYR A 66 3.343 6.921 -3.727 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.617 9.493 -4.724 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.241 9.481 -3.639 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.810 7.376 -1.723 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.516 10.130 -3.527 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.325 7.143 0.195 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.034 9.895 -1.612 1.00 0.00 H new ATOM 0 HH TYR A 66 8.409 8.939 0.344 1.00 0.00 H new ATOM 1041 N VAL A 67 1.486 6.927 -5.378 1.00 0.00 N ATOM 1042 CA VAL A 67 0.300 7.026 -6.220 1.00 0.00 C ATOM 1043 C VAL A 67 -0.892 7.556 -5.430 1.00 0.00 C ATOM 1044 O VAL A 67 -1.005 7.356 -4.220 1.00 0.00 O ATOM 1045 CB VAL A 67 -0.070 5.662 -6.831 1.00 0.00 C ATOM 1046 CG1 VAL A 67 0.847 5.335 -8.001 1.00 0.00 C ATOM 1047 CG2 VAL A 67 -0.008 4.570 -5.774 1.00 0.00 C ATOM 0 H VAL A 67 1.473 6.147 -4.721 1.00 0.00 H new ATOM 0 HA VAL A 67 0.540 7.723 -7.023 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.092 5.716 -7.205 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.571 4.368 -8.420 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.748 6.104 -8.767 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.880 5.299 -7.655 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.272 3.613 -6.224 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.002 4.513 -5.368 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.709 4.800 -4.972 1.00 0.00 H new ATOM 1057 N PRO A 68 -1.804 8.248 -6.129 1.00 0.00 N ATOM 1058 CA PRO A 68 -3.005 8.821 -5.513 1.00 0.00 C ATOM 1059 C PRO A 68 -4.003 7.751 -5.084 1.00 0.00 C ATOM 1060 O PRO A 68 -4.705 7.175 -5.915 1.00 0.00 O ATOM 1061 CB PRO A 68 -3.597 9.687 -6.628 1.00 0.00 C ATOM 1062 CG PRO A 68 -3.097 9.072 -7.890 1.00 0.00 C ATOM 1063 CD PRO A 68 -1.733 8.525 -7.573 1.00 0.00 C ATOM 0 HA PRO A 68 -2.772 9.374 -4.603 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.686 9.688 -6.592 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.274 10.724 -6.538 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.765 8.281 -8.230 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.045 9.811 -8.690 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.519 7.622 -8.145 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -0.948 9.244 -7.806 1.00 0.00 H new ATOM 1071 N SER A 69 -4.060 7.490 -3.782 1.00 0.00 N ATOM 1072 CA SER A 69 -4.970 6.486 -3.243 1.00 0.00 C ATOM 1073 C SER A 69 -6.317 6.535 -3.957 1.00 0.00 C ATOM 1074 O SER A 69 -6.870 5.502 -4.335 1.00 0.00 O ATOM 1075 CB SER A 69 -5.168 6.700 -1.741 1.00 0.00 C ATOM 1076 OG SER A 69 -5.946 7.857 -1.489 1.00 0.00 O ATOM 0 H SER A 69 -3.487 7.960 -3.081 1.00 0.00 H new ATOM 0 HA SER A 69 -4.527 5.504 -3.407 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.657 5.828 -1.308 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.198 6.797 -1.253 1.00 0.00 H new ATOM 0 HG SER A 69 -5.503 8.408 -0.811 1.00 0.00 H new ATOM 1082 N SER A 70 -6.841 7.743 -4.137 1.00 0.00 N ATOM 1083 CA SER A 70 -8.126 7.928 -4.802 1.00 0.00 C ATOM 1084 C SER A 70 -8.301 6.921 -5.935 1.00 0.00 C ATOM 1085 O SER A 70 -9.339 6.268 -6.045 1.00 0.00 O ATOM 1086 CB SER A 70 -8.240 9.352 -5.348 1.00 0.00 C ATOM 1087 OG SER A 70 -8.418 10.288 -4.299 1.00 0.00 O ATOM 0 H SER A 70 -6.396 8.608 -3.832 1.00 0.00 H new ATOM 0 HA SER A 70 -8.915 7.763 -4.068 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.342 9.601 -5.913 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.080 9.413 -6.040 1.00 0.00 H new ATOM 0 HG SER A 70 -8.486 11.191 -4.674 1.00 0.00 H new ATOM 1093 N TYR A 71 -7.279 6.801 -6.774 1.00 0.00 N ATOM 1094 CA TYR A 71 -7.320 5.875 -7.900 1.00 0.00 C ATOM 1095 C TYR A 71 -7.395 4.431 -7.416 1.00 0.00 C ATOM 1096 O TYR A 71 -8.194 3.637 -7.916 1.00 0.00 O ATOM 1097 CB TYR A 71 -6.087 6.064 -8.787 1.00 0.00 C ATOM 1098 CG TYR A 71 -6.161 7.286 -9.674 1.00 0.00 C ATOM 1099 CD1 TYR A 71 -6.666 8.488 -9.194 1.00 0.00 C ATOM 1100 CD2 TYR A 71 -5.726 7.239 -10.993 1.00 0.00 C ATOM 1101 CE1 TYR A 71 -6.736 9.607 -10.001 1.00 0.00 C ATOM 1102 CE2 TYR A 71 -5.791 8.353 -11.807 1.00 0.00 C ATOM 1103 CZ TYR A 71 -6.297 9.535 -11.306 1.00 0.00 C ATOM 1104 OH TYR A 71 -6.364 10.647 -12.114 1.00 0.00 O ATOM 0 H TYR A 71 -6.412 7.333 -6.696 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.216 6.090 -8.482 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.202 6.138 -8.154 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.960 5.179 -9.411 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.010 8.549 -8.172 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.330 6.315 -11.389 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -7.132 10.533 -9.612 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.448 8.299 -12.830 1.00 0.00 H new ATOM 0 HH TYR A 71 -6.014 10.427 -13.003 1.00 0.00 H new ATOM 1114 N LEU A 72 -6.560 4.097 -6.439 1.00 0.00 N ATOM 1115 CA LEU A 72 -6.531 2.748 -5.885 1.00 0.00 C ATOM 1116 C LEU A 72 -7.795 2.463 -5.080 1.00 0.00 C ATOM 1117 O LEU A 72 -8.297 3.329 -4.364 1.00 0.00 O ATOM 1118 CB LEU A 72 -5.297 2.565 -4.999 1.00 0.00 C ATOM 1119 CG LEU A 72 -3.946 2.605 -5.714 1.00 0.00 C ATOM 1120 CD1 LEU A 72 -2.815 2.334 -4.734 1.00 0.00 C ATOM 1121 CD2 LEU A 72 -3.917 1.600 -6.856 1.00 0.00 C ATOM 0 H LEU A 72 -5.894 4.742 -6.014 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.483 2.042 -6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.304 3.342 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.384 1.609 -4.482 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.807 3.602 -6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.861 2.366 -5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.823 3.092 -3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.949 1.349 -4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.948 1.642 -7.353 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.079 0.597 -6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.703 1.840 -7.572 1.00 0.00 H new ATOM 1133 N VAL A 73 -8.305 1.241 -5.201 1.00 0.00 N ATOM 1134 CA VAL A 73 -9.508 0.840 -4.483 1.00 0.00 C ATOM 1135 C VAL A 73 -9.317 -0.511 -3.801 1.00 0.00 C ATOM 1136 O VAL A 73 -8.757 -1.437 -4.385 1.00 0.00 O ATOM 1137 CB VAL A 73 -10.724 0.759 -5.425 1.00 0.00 C ATOM 1138 CG1 VAL A 73 -10.804 2.001 -6.301 1.00 0.00 C ATOM 1139 CG2 VAL A 73 -10.655 -0.500 -6.276 1.00 0.00 C ATOM 0 H VAL A 73 -7.903 0.512 -5.790 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.694 1.603 -3.727 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.629 0.712 -4.819 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.669 1.926 -6.960 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.903 2.885 -5.671 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.897 2.083 -6.900 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.522 -0.541 -6.936 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.744 -0.485 -6.874 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.650 -1.377 -5.629 1.00 0.00 H new ATOM 1149 N GLU A 74 -9.788 -0.614 -2.562 1.00 0.00 N ATOM 1150 CA GLU A 74 -9.668 -1.852 -1.801 1.00 0.00 C ATOM 1151 C GLU A 74 -10.531 -2.952 -2.412 1.00 0.00 C ATOM 1152 O GLU A 74 -11.760 -2.888 -2.371 1.00 0.00 O ATOM 1153 CB GLU A 74 -10.072 -1.622 -0.343 1.00 0.00 C ATOM 1154 CG GLU A 74 -9.538 -2.678 0.610 1.00 0.00 C ATOM 1155 CD GLU A 74 -10.417 -2.857 1.833 1.00 0.00 C ATOM 1156 OE1 GLU A 74 -10.601 -1.873 2.580 1.00 0.00 O ATOM 1157 OE2 GLU A 74 -10.920 -3.980 2.043 1.00 0.00 O ATOM 0 H GLU A 74 -10.256 0.144 -2.065 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.626 -2.170 -1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.713 -0.643 -0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.160 -1.600 -0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.456 -3.629 0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.533 -2.401 0.927 1.00 0.00 H new ATOM 1164 N LYS A 75 -9.879 -3.961 -2.980 1.00 0.00 N ATOM 1165 CA LYS A 75 -10.585 -5.077 -3.599 1.00 0.00 C ATOM 1166 C LYS A 75 -11.774 -5.509 -2.748 1.00 0.00 C ATOM 1167 O LYS A 75 -11.606 -6.145 -1.708 1.00 0.00 O ATOM 1168 CB LYS A 75 -9.634 -6.258 -3.804 1.00 0.00 C ATOM 1169 CG LYS A 75 -10.331 -7.528 -4.260 1.00 0.00 C ATOM 1170 CD LYS A 75 -10.395 -7.614 -5.776 1.00 0.00 C ATOM 1171 CE LYS A 75 -11.653 -6.955 -6.320 1.00 0.00 C ATOM 1172 NZ LYS A 75 -12.819 -7.882 -6.296 1.00 0.00 N ATOM 0 H LYS A 75 -8.862 -4.029 -3.025 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.957 -4.746 -4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.880 -5.983 -4.541 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.109 -6.457 -2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.802 -8.396 -3.867 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.340 -7.558 -3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.516 -7.133 -6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.369 -8.659 -6.083 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.882 -6.068 -5.730 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.475 -6.621 -7.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.657 -7.396 -6.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.610 -8.717 -6.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.005 -8.181 -5.317 1.00 0.00 H new