USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 561 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 43 TYR OH : rot -143:sc= 0.653 USER MOD Set 1.2: A 84 HIS :FLIP no HD1:sc= -0.335 F(o=-1.7,f=0.32) USER MOD Set 2.1: A 73 THR OG1 : rot 49:sc= -3.42! USER MOD Set 2.2: A 77 ASN : amide:sc= -5.43! C(o=-8.9!,f=-11!) USER MOD Set 3.1: A 56 MET CE :methyl -157:sc= -2.32 (180deg=-3.79!) USER MOD Set 3.2: A 64 MET CE :methyl -141:sc= -1.92 (180deg=-4.86!) USER MOD Set 4.1: A 29 GLN : amide:sc= -2.15 K(o=-4.6,f=-5.4!) USER MOD Set 4.2: A 55 ASN : amide:sc= -2.47 K(o=-4.6,f=-5.4!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0951 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 31 HIS : no HD1:sc= -2.45! X(o=-2.5!,f=-2.7) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.168) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 59 LYS NZ :NH3+ -127:sc= -1.19 (180deg=-2.32) USER MOD Single : A 62 CYS SG : rot 70:sc= -0.33 USER MOD Single : A 63 LYS NZ :NH3+ -139:sc= 0.248 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.184 K(o=-0.18,f=-0.88) USER MOD Single : A 66 LYS NZ :NH3+ -150:sc= -0.0311 (180deg=-1.02) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 82:sc= 0.726 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 265 N VAL A 20 5.303 13.721 22.769 1.00 0.00 N ATOM 266 CA VAL A 20 4.955 13.092 24.038 1.00 0.00 C ATOM 267 C VAL A 20 6.131 13.121 25.007 1.00 0.00 C ATOM 268 O VAL A 20 7.294 13.181 24.609 1.00 0.00 O ATOM 269 CB VAL A 20 4.507 11.632 23.835 1.00 0.00 C ATOM 270 CG1 VAL A 20 3.136 11.580 23.178 1.00 0.00 C ATOM 271 CG2 VAL A 20 5.533 10.870 23.009 1.00 0.00 C ATOM 0 HA VAL A 20 4.128 13.664 24.459 1.00 0.00 H new ATOM 0 HB VAL A 20 4.433 11.154 24.812 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.837 10.541 23.043 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.409 12.088 23.812 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.179 12.074 22.208 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.201 9.841 22.875 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.641 11.346 22.034 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.493 10.877 23.525 1.00 0.00 H new ATOM 281 N PRO A 21 5.823 13.079 26.312 1.00 0.00 N ATOM 282 CA PRO A 21 6.841 13.098 27.367 1.00 0.00 C ATOM 283 C PRO A 21 7.651 11.807 27.415 1.00 0.00 C ATOM 284 O PRO A 21 7.168 10.746 27.021 1.00 0.00 O ATOM 285 CB PRO A 21 6.021 13.263 28.648 1.00 0.00 C ATOM 286 CG PRO A 21 4.680 12.706 28.315 1.00 0.00 C ATOM 287 CD PRO A 21 4.457 13.007 26.858 1.00 0.00 C ATOM 0 HA PRO A 21 7.576 13.888 27.210 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.476 12.727 29.481 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.953 14.310 28.942 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.646 11.633 28.501 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.904 13.161 28.931 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.870 12.228 26.372 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.919 13.945 26.719 1.00 0.00 H new ATOM 295 N ALA A 22 8.884 11.905 27.901 1.00 0.00 N ATOM 296 CA ALA A 22 9.759 10.744 28.003 1.00 0.00 C ATOM 297 C ALA A 22 9.063 9.593 28.722 1.00 0.00 C ATOM 298 O ALA A 22 8.743 8.572 28.114 1.00 0.00 O ATOM 299 CB ALA A 22 11.047 11.116 28.722 1.00 0.00 C ATOM 0 H ALA A 22 9.299 12.777 28.230 1.00 0.00 H new ATOM 0 HA ALA A 22 10.002 10.413 26.993 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.691 10.240 28.791 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.560 11.901 28.166 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.814 11.475 29.724 1.00 0.00 H new ATOM 305 N ASP A 23 8.832 9.765 30.019 1.00 0.00 N ATOM 306 CA ASP A 23 8.173 8.741 30.821 1.00 0.00 C ATOM 307 C ASP A 23 6.873 8.289 30.164 1.00 0.00 C ATOM 308 O ASP A 23 5.884 9.022 30.119 1.00 0.00 O ATOM 309 CB ASP A 23 7.892 9.267 32.229 1.00 0.00 C ATOM 310 CG ASP A 23 8.839 8.692 33.263 1.00 0.00 C ATOM 311 OD1 ASP A 23 9.071 7.465 33.236 1.00 0.00 O ATOM 312 OD2 ASP A 23 9.348 9.467 34.099 1.00 0.00 O ATOM 0 H ASP A 23 9.092 10.604 30.537 1.00 0.00 H new ATOM 0 HA ASP A 23 8.842 7.883 30.890 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.974 10.354 32.230 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.866 9.024 32.506 1.00 0.00 H new ATOM 317 N PRO A 24 6.872 7.054 29.640 1.00 0.00 N ATOM 318 CA PRO A 24 5.699 6.477 28.976 1.00 0.00 C ATOM 319 C PRO A 24 4.571 6.170 29.954 1.00 0.00 C ATOM 320 O PRO A 24 3.417 6.004 29.556 1.00 0.00 O ATOM 321 CB PRO A 24 6.241 5.184 28.361 1.00 0.00 C ATOM 322 CG PRO A 24 7.412 4.823 29.208 1.00 0.00 C ATOM 323 CD PRO A 24 8.014 6.125 29.658 1.00 0.00 C ATOM 0 HA PRO A 24 5.264 7.162 28.248 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.488 4.396 28.370 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.535 5.333 27.322 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.105 4.219 30.062 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.135 4.233 28.644 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.450 6.043 30.654 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.809 6.453 28.988 1.00 0.00 H new ATOM 331 N THR A 25 4.910 6.096 31.237 1.00 0.00 N ATOM 332 CA THR A 25 3.925 5.808 32.273 1.00 0.00 C ATOM 333 C THR A 25 3.032 7.015 32.533 1.00 0.00 C ATOM 334 O THR A 25 1.939 6.884 33.085 1.00 0.00 O ATOM 335 CB THR A 25 4.603 5.391 33.592 1.00 0.00 C ATOM 336 OG1 THR A 25 5.875 6.037 33.714 1.00 0.00 O ATOM 337 CG2 THR A 25 4.786 3.882 33.653 1.00 0.00 C ATOM 0 H THR A 25 5.860 6.232 31.584 1.00 0.00 H new ATOM 0 HA THR A 25 3.316 4.981 31.909 1.00 0.00 H new ATOM 0 HB THR A 25 3.961 5.696 34.418 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.299 5.768 34.556 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.267 3.611 34.593 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.813 3.395 33.589 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.410 3.557 32.820 1.00 0.00 H new ATOM 345 N LEU A 26 3.502 8.191 32.131 1.00 0.00 N ATOM 346 CA LEU A 26 2.745 9.423 32.321 1.00 0.00 C ATOM 347 C LEU A 26 1.862 9.710 31.111 1.00 0.00 C ATOM 348 O LEU A 26 1.054 10.639 31.126 1.00 0.00 O ATOM 349 CB LEU A 26 3.695 10.597 32.563 1.00 0.00 C ATOM 350 CG LEU A 26 4.599 10.486 33.791 1.00 0.00 C ATOM 351 CD1 LEU A 26 5.620 11.614 33.806 1.00 0.00 C ATOM 352 CD2 LEU A 26 3.769 10.499 35.067 1.00 0.00 C ATOM 0 H LEU A 26 4.404 8.317 31.671 1.00 0.00 H new ATOM 0 HA LEU A 26 2.105 9.296 33.194 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.326 10.716 31.682 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.101 11.506 32.655 1.00 0.00 H new ATOM 0 HG LEU A 26 5.135 9.538 33.739 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.255 11.519 34.687 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.235 11.560 32.908 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.102 12.573 33.834 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.429 10.419 35.931 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.206 11.430 35.125 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.077 9.657 35.060 1.00 0.00 H new ATOM 364 N TRP A 27 2.019 8.906 30.066 1.00 0.00 N ATOM 365 CA TRP A 27 1.234 9.073 28.848 1.00 0.00 C ATOM 366 C TRP A 27 -0.258 8.983 29.146 1.00 0.00 C ATOM 367 O TRP A 27 -0.705 8.094 29.872 1.00 0.00 O ATOM 368 CB TRP A 27 1.626 8.014 27.815 1.00 0.00 C ATOM 369 CG TRP A 27 2.922 8.310 27.124 1.00 0.00 C ATOM 370 CD1 TRP A 27 3.647 9.465 27.200 1.00 0.00 C ATOM 371 CD2 TRP A 27 3.646 7.436 26.250 1.00 0.00 C ATOM 372 NE1 TRP A 27 4.778 9.362 26.427 1.00 0.00 N ATOM 373 CE2 TRP A 27 4.801 8.127 25.834 1.00 0.00 C ATOM 374 CE3 TRP A 27 3.432 6.138 25.781 1.00 0.00 C ATOM 375 CZ2 TRP A 27 5.735 7.561 24.971 1.00 0.00 C ATOM 376 CZ3 TRP A 27 4.360 5.578 24.924 1.00 0.00 C ATOM 377 CH2 TRP A 27 5.500 6.289 24.526 1.00 0.00 C ATOM 0 H TRP A 27 2.683 8.132 30.037 1.00 0.00 H new ATOM 0 HA TRP A 27 1.445 10.062 28.442 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.699 7.045 28.308 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.835 7.934 27.069 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.372 10.332 27.782 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.486 10.087 26.313 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.557 5.582 26.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.615 8.107 24.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.204 4.575 24.555 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.207 5.824 23.855 1.00 0.00 H new ATOM 388 N THR A 28 -1.027 9.909 28.581 1.00 0.00 N ATOM 389 CA THR A 28 -2.470 9.934 28.788 1.00 0.00 C ATOM 390 C THR A 28 -3.173 8.935 27.876 1.00 0.00 C ATOM 391 O THR A 28 -2.532 8.254 27.076 1.00 0.00 O ATOM 392 CB THR A 28 -3.049 11.339 28.534 1.00 0.00 C ATOM 393 OG1 THR A 28 -2.961 11.661 27.142 1.00 0.00 O ATOM 394 CG2 THR A 28 -2.307 12.386 29.351 1.00 0.00 C ATOM 0 H THR A 28 -0.675 10.651 27.977 1.00 0.00 H new ATOM 0 HA THR A 28 -2.646 9.659 29.828 1.00 0.00 H new ATOM 0 HB THR A 28 -4.095 11.338 28.840 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.333 12.555 26.989 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.733 13.370 29.155 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.402 12.154 30.412 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.253 12.385 29.072 1.00 0.00 H new ATOM 402 N GLN A 29 -4.494 8.852 28.004 1.00 0.00 N ATOM 403 CA GLN A 29 -5.283 7.935 27.190 1.00 0.00 C ATOM 404 C GLN A 29 -5.149 8.269 25.708 1.00 0.00 C ATOM 405 O GLN A 29 -5.451 7.443 24.847 1.00 0.00 O ATOM 406 CB GLN A 29 -6.754 7.989 27.606 1.00 0.00 C ATOM 407 CG GLN A 29 -7.348 6.625 27.920 1.00 0.00 C ATOM 408 CD GLN A 29 -8.764 6.714 28.454 1.00 0.00 C ATOM 409 OE1 GLN A 29 -9.685 7.110 27.740 1.00 0.00 O ATOM 410 NE2 GLN A 29 -8.944 6.344 29.717 1.00 0.00 N ATOM 0 H GLN A 29 -5.039 9.408 28.663 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.903 6.926 27.352 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.852 8.629 28.483 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.332 8.453 26.807 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.342 6.014 27.017 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.719 6.119 28.652 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.151 6.022 30.272 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.875 6.382 30.132 1.00 0.00 H new ATOM 419 N GLU A 30 -4.694 9.484 25.419 1.00 0.00 N ATOM 420 CA GLU A 30 -4.521 9.926 24.040 1.00 0.00 C ATOM 421 C GLU A 30 -3.081 9.718 23.578 1.00 0.00 C ATOM 422 O GLU A 30 -2.835 9.262 22.461 1.00 0.00 O ATOM 423 CB GLU A 30 -4.905 11.400 23.902 1.00 0.00 C ATOM 424 CG GLU A 30 -4.700 11.954 22.502 1.00 0.00 C ATOM 425 CD GLU A 30 -5.756 12.972 22.116 1.00 0.00 C ATOM 426 OE1 GLU A 30 -6.385 13.547 23.028 1.00 0.00 O ATOM 427 OE2 GLU A 30 -5.953 13.192 20.903 1.00 0.00 O ATOM 0 H GLU A 30 -4.439 10.179 26.120 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.177 9.327 23.408 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.951 11.522 24.182 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.316 11.988 24.606 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.715 12.416 22.439 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.713 11.133 21.785 1.00 0.00 H new ATOM 434 N HIS A 31 -2.133 10.057 24.446 1.00 0.00 N ATOM 435 CA HIS A 31 -0.717 9.909 24.129 1.00 0.00 C ATOM 436 C HIS A 31 -0.417 8.497 23.632 1.00 0.00 C ATOM 437 O HIS A 31 0.177 8.316 22.569 1.00 0.00 O ATOM 438 CB HIS A 31 0.138 10.223 25.356 1.00 0.00 C ATOM 439 CG HIS A 31 0.377 11.687 25.561 1.00 0.00 C ATOM 440 ND1 HIS A 31 0.727 12.229 26.780 1.00 0.00 N ATOM 441 CD2 HIS A 31 0.317 12.724 24.693 1.00 0.00 C ATOM 442 CE1 HIS A 31 0.869 13.536 26.653 1.00 0.00 C ATOM 443 NE2 HIS A 31 0.627 13.862 25.396 1.00 0.00 N ATOM 0 H HIS A 31 -2.320 10.436 25.374 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.472 10.615 23.335 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.349 9.815 26.242 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.098 9.717 25.259 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.071 12.667 23.643 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.137 14.222 27.443 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.664 14.806 25.010 1.00 0.00 H new ATOM 451 N VAL A 32 -0.831 7.501 24.409 1.00 0.00 N ATOM 452 CA VAL A 32 -0.607 6.107 24.048 1.00 0.00 C ATOM 453 C VAL A 32 -1.074 5.825 22.624 1.00 0.00 C ATOM 454 O VAL A 32 -0.524 4.963 21.939 1.00 0.00 O ATOM 455 CB VAL A 32 -1.336 5.153 25.013 1.00 0.00 C ATOM 456 CG1 VAL A 32 -1.187 3.711 24.554 1.00 0.00 C ATOM 457 CG2 VAL A 32 -0.811 5.326 26.431 1.00 0.00 C ATOM 0 H VAL A 32 -1.323 7.634 25.292 1.00 0.00 H new ATOM 0 HA VAL A 32 0.467 5.932 24.117 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.397 5.402 25.009 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.709 3.052 25.248 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.615 3.600 23.558 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.130 3.445 24.526 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.337 4.644 27.099 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.256 5.105 26.453 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.976 6.353 26.757 1.00 0.00 H new ATOM 467 N ARG A 33 -2.091 6.559 22.185 1.00 0.00 N ATOM 468 CA ARG A 33 -2.633 6.389 20.842 1.00 0.00 C ATOM 469 C ARG A 33 -1.723 7.037 19.803 1.00 0.00 C ATOM 470 O ARG A 33 -1.294 6.387 18.850 1.00 0.00 O ATOM 471 CB ARG A 33 -4.036 6.992 20.755 1.00 0.00 C ATOM 472 CG ARG A 33 -4.970 6.522 21.858 1.00 0.00 C ATOM 473 CD ARG A 33 -6.372 7.084 21.677 1.00 0.00 C ATOM 474 NE ARG A 33 -6.355 8.515 21.388 1.00 0.00 N ATOM 475 CZ ARG A 33 -7.413 9.189 20.951 1.00 0.00 C ATOM 476 NH1 ARG A 33 -8.566 8.564 20.752 1.00 0.00 N ATOM 477 NH2 ARG A 33 -7.319 10.491 20.711 1.00 0.00 N ATOM 0 H ARG A 33 -2.556 7.277 22.740 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.691 5.321 20.633 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.958 8.079 20.795 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.472 6.739 19.789 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.011 5.433 21.862 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.575 6.830 22.826 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.872 6.556 20.865 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.954 6.904 22.581 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.483 9.025 21.529 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.642 7.563 20.935 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.377 9.084 20.416 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.434 10.975 20.862 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.132 11.008 20.375 1.00 0.00 H new ATOM 491 N GLN A 34 -1.435 8.320 19.994 1.00 0.00 N ATOM 492 CA GLN A 34 -0.578 9.055 19.072 1.00 0.00 C ATOM 493 C GLN A 34 0.748 8.330 18.865 1.00 0.00 C ATOM 494 O GLN A 34 1.214 8.178 17.736 1.00 0.00 O ATOM 495 CB GLN A 34 -0.323 10.469 19.597 1.00 0.00 C ATOM 496 CG GLN A 34 -1.301 11.503 19.061 1.00 0.00 C ATOM 497 CD GLN A 34 -0.825 12.925 19.279 1.00 0.00 C ATOM 498 OE1 GLN A 34 0.025 13.427 18.544 1.00 0.00 O ATOM 499 NE2 GLN A 34 -1.373 13.584 20.294 1.00 0.00 N ATOM 0 H GLN A 34 -1.782 8.872 20.778 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.090 9.118 18.112 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.378 10.459 20.686 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.691 10.769 19.332 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.454 11.335 17.995 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.268 11.369 19.547 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.075 13.129 20.878 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.092 14.545 20.489 1.00 0.00 H new ATOM 508 N TRP A 35 1.351 7.887 19.962 1.00 0.00 N ATOM 509 CA TRP A 35 2.624 7.178 19.901 1.00 0.00 C ATOM 510 C TRP A 35 2.519 5.946 19.009 1.00 0.00 C ATOM 511 O TRP A 35 3.436 5.641 18.244 1.00 0.00 O ATOM 512 CB TRP A 35 3.071 6.768 21.306 1.00 0.00 C ATOM 513 CG TRP A 35 4.239 5.829 21.307 1.00 0.00 C ATOM 514 CD1 TRP A 35 5.538 6.136 21.017 1.00 0.00 C ATOM 515 CD2 TRP A 35 4.214 4.430 21.611 1.00 0.00 C ATOM 516 NE1 TRP A 35 6.322 5.013 21.122 1.00 0.00 N ATOM 517 CE2 TRP A 35 5.533 3.953 21.486 1.00 0.00 C ATOM 518 CE3 TRP A 35 3.206 3.535 21.978 1.00 0.00 C ATOM 519 CZ2 TRP A 35 5.868 2.621 21.715 1.00 0.00 C ATOM 520 CZ3 TRP A 35 3.539 2.213 22.204 1.00 0.00 C ATOM 521 CH2 TRP A 35 4.861 1.766 22.072 1.00 0.00 C ATOM 0 H TRP A 35 0.979 8.006 20.904 1.00 0.00 H new ATOM 0 HA TRP A 35 3.366 7.852 19.473 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.332 7.662 21.872 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.235 6.297 21.823 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.896 7.118 20.745 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.328 4.974 20.956 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.185 3.870 22.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.886 2.275 21.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.768 1.512 22.487 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.089 0.726 22.256 1.00 0.00 H new ATOM 532 N LEU A 36 1.398 5.241 19.110 1.00 0.00 N ATOM 533 CA LEU A 36 1.173 4.042 18.310 1.00 0.00 C ATOM 534 C LEU A 36 1.197 4.368 16.820 1.00 0.00 C ATOM 535 O LEU A 36 2.036 3.859 16.078 1.00 0.00 O ATOM 536 CB LEU A 36 -0.165 3.401 18.682 1.00 0.00 C ATOM 537 CG LEU A 36 -0.176 1.874 18.769 1.00 0.00 C ATOM 538 CD1 LEU A 36 0.633 1.401 19.966 1.00 0.00 C ATOM 539 CD2 LEU A 36 -1.604 1.355 18.850 1.00 0.00 C ATOM 0 H LEU A 36 0.630 5.479 19.738 1.00 0.00 H new ATOM 0 HA LEU A 36 1.978 3.338 18.521 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.482 3.802 19.645 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.909 3.709 17.947 1.00 0.00 H new ATOM 0 HG LEU A 36 0.284 1.475 17.865 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.613 0.312 20.011 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.664 1.742 19.866 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.203 1.810 20.880 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.593 0.267 18.911 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.090 1.763 19.736 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.154 1.663 17.961 1.00 0.00 H new ATOM 551 N GLU A 37 0.273 5.222 16.392 1.00 0.00 N ATOM 552 CA GLU A 37 0.189 5.617 14.990 1.00 0.00 C ATOM 553 C GLU A 37 1.538 6.122 14.487 1.00 0.00 C ATOM 554 O GLU A 37 1.853 6.007 13.302 1.00 0.00 O ATOM 555 CB GLU A 37 -0.875 6.700 14.805 1.00 0.00 C ATOM 556 CG GLU A 37 -2.216 6.348 15.427 1.00 0.00 C ATOM 557 CD GLU A 37 -3.388 6.892 14.633 1.00 0.00 C ATOM 558 OE1 GLU A 37 -3.678 8.101 14.754 1.00 0.00 O ATOM 559 OE2 GLU A 37 -4.015 6.109 13.890 1.00 0.00 O ATOM 0 H GLU A 37 -0.428 5.654 16.995 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.092 4.740 14.407 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.514 7.631 15.243 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.015 6.882 13.739 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.304 5.264 15.502 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.256 6.742 16.443 1.00 0.00 H new ATOM 566 N TRP A 38 2.330 6.683 15.394 1.00 0.00 N ATOM 567 CA TRP A 38 3.644 7.207 15.043 1.00 0.00 C ATOM 568 C TRP A 38 4.617 6.074 14.732 1.00 0.00 C ATOM 569 O TRP A 38 5.127 5.970 13.617 1.00 0.00 O ATOM 570 CB TRP A 38 4.193 8.069 16.180 1.00 0.00 C ATOM 571 CG TRP A 38 5.647 8.401 16.026 1.00 0.00 C ATOM 572 CD1 TRP A 38 6.208 9.201 15.071 1.00 0.00 C ATOM 573 CD2 TRP A 38 6.723 7.941 16.850 1.00 0.00 C ATOM 574 NE1 TRP A 38 7.569 9.265 15.252 1.00 0.00 N ATOM 575 CE2 TRP A 38 7.910 8.501 16.337 1.00 0.00 C ATOM 576 CE3 TRP A 38 6.800 7.111 17.972 1.00 0.00 C ATOM 577 CZ2 TRP A 38 9.155 8.257 16.909 1.00 0.00 C ATOM 578 CZ3 TRP A 38 8.038 6.869 18.537 1.00 0.00 C ATOM 579 CH2 TRP A 38 9.202 7.440 18.006 1.00 0.00 C ATOM 0 H TRP A 38 2.084 6.786 16.379 1.00 0.00 H new ATOM 0 HA TRP A 38 3.535 7.823 14.150 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.620 8.995 16.234 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.045 7.547 17.126 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.662 9.708 14.289 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.220 9.795 14.673 1.00 0.00 H new ATOM 0 HE3 TRP A 38 5.909 6.667 18.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 10.053 8.697 16.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 8.109 6.228 19.403 1.00 0.00 H new ATOM 0 HH2 TRP A 38 10.154 7.232 18.471 1.00 0.00 H new ATOM 590 N ALA A 39 4.869 5.227 15.725 1.00 0.00 N ATOM 591 CA ALA A 39 5.778 4.101 15.557 1.00 0.00 C ATOM 592 C ALA A 39 5.412 3.279 14.326 1.00 0.00 C ATOM 593 O ALA A 39 6.276 2.672 13.693 1.00 0.00 O ATOM 594 CB ALA A 39 5.770 3.225 16.801 1.00 0.00 C ATOM 0 H ALA A 39 4.456 5.300 16.655 1.00 0.00 H new ATOM 0 HA ALA A 39 6.783 4.496 15.412 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.454 2.388 16.661 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.088 3.813 17.662 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.763 2.846 16.973 1.00 0.00 H new ATOM 600 N ILE A 40 4.125 3.262 13.993 1.00 0.00 N ATOM 601 CA ILE A 40 3.645 2.515 12.837 1.00 0.00 C ATOM 602 C ILE A 40 4.087 3.173 11.535 1.00 0.00 C ATOM 603 O ILE A 40 4.671 2.526 10.666 1.00 0.00 O ATOM 604 CB ILE A 40 2.110 2.393 12.844 1.00 0.00 C ATOM 605 CG1 ILE A 40 1.640 1.667 14.106 1.00 0.00 C ATOM 606 CG2 ILE A 40 1.632 1.664 11.597 1.00 0.00 C ATOM 607 CD1 ILE A 40 0.243 2.054 14.540 1.00 0.00 C ATOM 0 H ILE A 40 3.397 3.757 14.508 1.00 0.00 H new ATOM 0 HA ILE A 40 4.080 1.518 12.902 1.00 0.00 H new ATOM 0 HB ILE A 40 1.680 3.395 12.843 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.673 0.592 13.930 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.336 1.879 14.918 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.545 1.585 11.616 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.940 2.218 10.711 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.068 0.665 11.570 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.025 1.501 15.440 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.210 3.124 14.748 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.464 1.817 13.745 1.00 0.00 H new ATOM 619 N LYS A 41 3.804 4.465 11.406 1.00 0.00 N ATOM 620 CA LYS A 41 4.174 5.214 10.210 1.00 0.00 C ATOM 621 C LYS A 41 5.683 5.432 10.150 1.00 0.00 C ATOM 622 O LYS A 41 6.227 5.775 9.102 1.00 0.00 O ATOM 623 CB LYS A 41 3.451 6.562 10.185 1.00 0.00 C ATOM 624 CG LYS A 41 3.868 7.497 11.307 1.00 0.00 C ATOM 625 CD LYS A 41 3.160 8.838 11.208 1.00 0.00 C ATOM 626 CE LYS A 41 3.509 9.558 9.914 1.00 0.00 C ATOM 627 NZ LYS A 41 2.424 9.436 8.901 1.00 0.00 N ATOM 0 H LYS A 41 3.320 5.015 12.115 1.00 0.00 H new ATOM 0 HA LYS A 41 3.874 4.632 9.339 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.641 7.049 9.228 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.377 6.390 10.247 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.643 7.036 12.269 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.947 7.651 11.272 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.082 8.686 11.262 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.437 9.461 12.058 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.694 10.612 10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.433 9.147 9.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.817 9.594 7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.009 8.484 8.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.688 10.145 9.094 1.00 0.00 H new ATOM 641 N GLU A 42 6.351 5.230 11.282 1.00 0.00 N ATOM 642 CA GLU A 42 7.797 5.405 11.356 1.00 0.00 C ATOM 643 C GLU A 42 8.520 4.103 11.021 1.00 0.00 C ATOM 644 O GLU A 42 9.399 4.072 10.159 1.00 0.00 O ATOM 645 CB GLU A 42 8.204 5.883 12.751 1.00 0.00 C ATOM 646 CG GLU A 42 9.702 6.079 12.913 1.00 0.00 C ATOM 647 CD GLU A 42 10.327 6.804 11.737 1.00 0.00 C ATOM 648 OE1 GLU A 42 10.185 8.042 11.659 1.00 0.00 O ATOM 649 OE2 GLU A 42 10.960 6.132 10.895 1.00 0.00 O ATOM 0 H GLU A 42 5.915 4.945 12.159 1.00 0.00 H new ATOM 0 HA GLU A 42 8.084 6.159 10.623 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.697 6.824 12.966 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.859 5.159 13.489 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.894 6.643 13.826 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.181 5.107 13.032 1.00 0.00 H new ATOM 656 N TYR A 43 8.144 3.031 11.709 1.00 0.00 N ATOM 657 CA TYR A 43 8.758 1.727 11.488 1.00 0.00 C ATOM 658 C TYR A 43 8.008 0.947 10.413 1.00 0.00 C ATOM 659 O TYR A 43 8.252 -0.242 10.209 1.00 0.00 O ATOM 660 CB TYR A 43 8.785 0.925 12.791 1.00 0.00 C ATOM 661 CG TYR A 43 9.338 1.699 13.966 1.00 0.00 C ATOM 662 CD1 TYR A 43 10.502 2.448 13.845 1.00 0.00 C ATOM 663 CD2 TYR A 43 8.695 1.682 15.198 1.00 0.00 C ATOM 664 CE1 TYR A 43 11.011 3.155 14.917 1.00 0.00 C ATOM 665 CE2 TYR A 43 9.196 2.388 16.275 1.00 0.00 C ATOM 666 CZ TYR A 43 10.354 3.123 16.130 1.00 0.00 C ATOM 667 OH TYR A 43 10.857 3.827 17.199 1.00 0.00 O ATOM 0 H TYR A 43 7.417 3.039 12.424 1.00 0.00 H new ATOM 0 HA TYR A 43 9.781 1.888 11.147 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.773 0.597 13.027 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.385 0.027 12.643 1.00 0.00 H new ATOM 0 HD1 TYR A 43 11.018 2.478 12.897 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.788 1.107 15.316 1.00 0.00 H new ATOM 0 HE1 TYR A 43 11.919 3.730 14.806 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.683 2.364 17.225 1.00 0.00 H new ATOM 0 HH TYR A 43 10.717 3.315 18.023 1.00 0.00 H new ATOM 677 N SER A 44 7.093 1.625 9.729 1.00 0.00 N ATOM 678 CA SER A 44 6.303 0.997 8.676 1.00 0.00 C ATOM 679 C SER A 44 5.655 -0.290 9.178 1.00 0.00 C ATOM 680 O SER A 44 5.815 -1.354 8.579 1.00 0.00 O ATOM 681 CB SER A 44 7.182 0.698 7.460 1.00 0.00 C ATOM 682 OG SER A 44 7.313 1.841 6.632 1.00 0.00 O ATOM 0 H SER A 44 6.880 2.610 9.885 1.00 0.00 H new ATOM 0 HA SER A 44 5.515 1.691 8.384 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.167 0.370 7.791 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.749 -0.122 6.887 1.00 0.00 H new ATOM 0 HG SER A 44 7.881 1.625 5.863 1.00 0.00 H new ATOM 688 N LEU A 45 4.924 -0.185 10.283 1.00 0.00 N ATOM 689 CA LEU A 45 4.251 -1.340 10.867 1.00 0.00 C ATOM 690 C LEU A 45 2.882 -1.553 10.229 1.00 0.00 C ATOM 691 O LEU A 45 2.243 -0.604 9.776 1.00 0.00 O ATOM 692 CB LEU A 45 4.099 -1.155 12.378 1.00 0.00 C ATOM 693 CG LEU A 45 5.365 -0.757 13.137 1.00 0.00 C ATOM 694 CD1 LEU A 45 5.094 -0.695 14.632 1.00 0.00 C ATOM 695 CD2 LEU A 45 6.495 -1.731 12.837 1.00 0.00 C ATOM 0 H LEU A 45 4.782 0.688 10.792 1.00 0.00 H new ATOM 0 HA LEU A 45 4.862 -2.222 10.674 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.339 -0.394 12.556 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.723 -2.086 12.802 1.00 0.00 H new ATOM 0 HG LEU A 45 5.669 0.235 12.803 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.007 -0.410 15.156 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.316 0.043 14.831 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.764 -1.673 14.983 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.388 -1.432 13.386 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.201 -2.735 13.142 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.707 -1.724 11.768 1.00 0.00 H new ATOM 707 N MET A 46 2.439 -2.805 10.198 1.00 0.00 N ATOM 708 CA MET A 46 1.144 -3.143 9.618 1.00 0.00 C ATOM 709 C MET A 46 0.475 -4.269 10.399 1.00 0.00 C ATOM 710 O MET A 46 1.107 -4.918 11.232 1.00 0.00 O ATOM 711 CB MET A 46 1.308 -3.550 8.152 1.00 0.00 C ATOM 712 CG MET A 46 1.999 -2.496 7.302 1.00 0.00 C ATOM 713 SD MET A 46 1.482 -2.548 5.576 1.00 0.00 S ATOM 714 CE MET A 46 2.792 -1.603 4.802 1.00 0.00 C ATOM 0 H MET A 46 2.957 -3.602 10.567 1.00 0.00 H new ATOM 0 HA MET A 46 0.508 -2.260 9.673 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.880 -4.477 8.103 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.325 -3.759 7.729 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.787 -1.508 7.711 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.078 -2.639 7.359 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.614 -1.545 3.728 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.811 -0.597 5.221 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.749 -2.091 4.985 1.00 0.00 H new ATOM 724 N GLU A 47 -0.806 -4.495 10.124 1.00 0.00 N ATOM 725 CA GLU A 47 -1.559 -5.543 10.803 1.00 0.00 C ATOM 726 C GLU A 47 -1.660 -5.259 12.299 1.00 0.00 C ATOM 727 O GLU A 47 -1.766 -6.178 13.110 1.00 0.00 O ATOM 728 CB GLU A 47 -0.900 -6.905 10.575 1.00 0.00 C ATOM 729 CG GLU A 47 -0.516 -7.161 9.127 1.00 0.00 C ATOM 730 CD GLU A 47 -0.928 -8.540 8.649 1.00 0.00 C ATOM 731 OE1 GLU A 47 -0.493 -9.536 9.264 1.00 0.00 O ATOM 732 OE2 GLU A 47 -1.686 -8.622 7.660 1.00 0.00 O ATOM 0 H GLU A 47 -1.343 -3.967 9.436 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.566 -5.560 10.385 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.007 -6.976 11.197 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.582 -7.689 10.905 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.982 -6.407 8.493 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.563 -7.049 9.016 1.00 0.00 H new ATOM 739 N ILE A 48 -1.626 -3.979 12.655 1.00 0.00 N ATOM 740 CA ILE A 48 -1.714 -3.573 14.052 1.00 0.00 C ATOM 741 C ILE A 48 -3.107 -3.050 14.386 1.00 0.00 C ATOM 742 O ILE A 48 -3.701 -2.299 13.612 1.00 0.00 O ATOM 743 CB ILE A 48 -0.676 -2.486 14.389 1.00 0.00 C ATOM 744 CG1 ILE A 48 -0.626 -2.249 15.900 1.00 0.00 C ATOM 745 CG2 ILE A 48 -1.003 -1.195 13.655 1.00 0.00 C ATOM 746 CD1 ILE A 48 0.749 -1.878 16.409 1.00 0.00 C ATOM 0 H ILE A 48 -1.538 -3.206 11.995 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.508 -4.460 14.652 1.00 0.00 H new ATOM 0 HB ILE A 48 0.306 -2.828 14.061 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.326 -1.455 16.158 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.963 -3.150 16.412 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.260 -0.437 13.904 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.992 -1.375 12.580 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.991 -0.847 13.954 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.709 -1.725 17.487 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.450 -2.681 16.182 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.081 -0.960 15.925 1.00 0.00 H new ATOM 758 N ASP A 49 -3.622 -3.451 15.543 1.00 0.00 N ATOM 759 CA ASP A 49 -4.944 -3.021 15.982 1.00 0.00 C ATOM 760 C ASP A 49 -4.841 -1.837 16.938 1.00 0.00 C ATOM 761 O ASP A 49 -4.787 -2.012 18.156 1.00 0.00 O ATOM 762 CB ASP A 49 -5.682 -4.177 16.659 1.00 0.00 C ATOM 763 CG ASP A 49 -7.178 -3.947 16.730 1.00 0.00 C ATOM 764 OD1 ASP A 49 -7.844 -4.042 15.678 1.00 0.00 O ATOM 765 OD2 ASP A 49 -7.684 -3.670 17.838 1.00 0.00 O ATOM 0 H ASP A 49 -3.144 -4.074 16.194 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.507 -2.707 15.103 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.485 -5.099 16.113 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.290 -4.313 17.667 1.00 0.00 H new ATOM 770 N THR A 50 -4.813 -0.631 16.379 1.00 0.00 N ATOM 771 CA THR A 50 -4.714 0.581 17.182 1.00 0.00 C ATOM 772 C THR A 50 -5.922 0.733 18.100 1.00 0.00 C ATOM 773 O THR A 50 -5.831 1.345 19.164 1.00 0.00 O ATOM 774 CB THR A 50 -4.599 1.835 16.294 1.00 0.00 C ATOM 775 OG1 THR A 50 -5.793 2.000 15.521 1.00 0.00 O ATOM 776 CG2 THR A 50 -3.398 1.731 15.366 1.00 0.00 C ATOM 0 H THR A 50 -4.858 -0.468 15.373 1.00 0.00 H new ATOM 0 HA THR A 50 -3.811 0.487 17.786 1.00 0.00 H new ATOM 0 HB THR A 50 -4.465 2.701 16.942 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.712 2.800 14.961 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.337 2.627 14.749 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.488 1.635 15.958 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.508 0.856 14.725 1.00 0.00 H new ATOM 784 N SER A 51 -7.051 0.170 17.683 1.00 0.00 N ATOM 785 CA SER A 51 -8.278 0.246 18.467 1.00 0.00 C ATOM 786 C SER A 51 -8.086 -0.394 19.839 1.00 0.00 C ATOM 787 O SER A 51 -8.774 -0.049 20.800 1.00 0.00 O ATOM 788 CB SER A 51 -9.425 -0.444 17.727 1.00 0.00 C ATOM 789 OG SER A 51 -10.485 0.462 17.472 1.00 0.00 O ATOM 0 H SER A 51 -7.142 -0.344 16.807 1.00 0.00 H new ATOM 0 HA SER A 51 -8.526 1.298 18.607 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.060 -0.855 16.786 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.793 -1.282 18.320 1.00 0.00 H new ATOM 0 HG SER A 51 -11.205 -0.003 16.997 1.00 0.00 H new ATOM 795 N PHE A 52 -7.145 -1.329 19.922 1.00 0.00 N ATOM 796 CA PHE A 52 -6.862 -2.019 21.176 1.00 0.00 C ATOM 797 C PHE A 52 -6.256 -1.062 22.198 1.00 0.00 C ATOM 798 O PHE A 52 -6.356 -1.281 23.406 1.00 0.00 O ATOM 799 CB PHE A 52 -5.910 -3.193 20.932 1.00 0.00 C ATOM 800 CG PHE A 52 -6.066 -4.306 21.928 1.00 0.00 C ATOM 801 CD1 PHE A 52 -5.328 -4.313 23.101 1.00 0.00 C ATOM 802 CD2 PHE A 52 -6.949 -5.347 21.690 1.00 0.00 C ATOM 803 CE1 PHE A 52 -5.469 -5.336 24.019 1.00 0.00 C ATOM 804 CE2 PHE A 52 -7.095 -6.373 22.605 1.00 0.00 C ATOM 805 CZ PHE A 52 -6.353 -6.368 23.770 1.00 0.00 C ATOM 0 H PHE A 52 -6.566 -1.626 19.137 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.803 -2.399 21.574 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.080 -3.586 19.930 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.883 -2.830 20.962 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.634 -3.509 23.300 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.530 -5.357 20.779 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.889 -5.329 24.930 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.788 -7.177 22.409 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.464 -7.170 24.485 1.00 0.00 H new ATOM 815 N PHE A 53 -5.626 0.000 21.706 1.00 0.00 N ATOM 816 CA PHE A 53 -5.002 0.990 22.576 1.00 0.00 C ATOM 817 C PHE A 53 -5.739 2.324 22.498 1.00 0.00 C ATOM 818 O PHE A 53 -5.181 3.372 22.819 1.00 0.00 O ATOM 819 CB PHE A 53 -3.533 1.183 22.193 1.00 0.00 C ATOM 820 CG PHE A 53 -2.777 -0.107 22.049 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.815 -0.819 20.861 1.00 0.00 C ATOM 822 CD2 PHE A 53 -2.029 -0.608 23.103 1.00 0.00 C ATOM 823 CE1 PHE A 53 -2.120 -2.006 20.726 1.00 0.00 C ATOM 824 CE2 PHE A 53 -1.332 -1.794 22.973 1.00 0.00 C ATOM 825 CZ PHE A 53 -1.378 -2.495 21.783 1.00 0.00 C ATOM 0 H PHE A 53 -5.534 0.197 20.709 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.058 0.623 23.601 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.480 1.733 21.253 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.046 1.798 22.950 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.394 -0.442 20.031 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.991 -0.065 24.036 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.157 -2.551 19.794 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.751 -2.173 23.801 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.835 -3.423 21.680 1.00 0.00 H new ATOM 835 N GLN A 54 -6.996 2.274 22.068 1.00 0.00 N ATOM 836 CA GLN A 54 -7.809 3.479 21.946 1.00 0.00 C ATOM 837 C GLN A 54 -8.101 4.079 23.317 1.00 0.00 C ATOM 838 O GLN A 54 -8.307 5.285 23.445 1.00 0.00 O ATOM 839 CB GLN A 54 -9.120 3.163 21.224 1.00 0.00 C ATOM 840 CG GLN A 54 -10.109 2.381 22.073 1.00 0.00 C ATOM 841 CD GLN A 54 -11.429 2.148 21.366 1.00 0.00 C ATOM 842 OE1 GLN A 54 -11.780 2.866 20.429 1.00 0.00 O ATOM 843 NE2 GLN A 54 -12.170 1.140 21.811 1.00 0.00 N ATOM 0 H GLN A 54 -7.473 1.414 21.799 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.248 4.209 21.363 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.585 4.097 20.907 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.900 2.594 20.321 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.671 1.420 22.342 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.290 2.920 23.003 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.841 0.570 22.590 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.068 0.935 21.373 1.00 0.00 H new ATOM 852 N ASN A 55 -8.117 3.230 24.338 1.00 0.00 N ATOM 853 CA ASN A 55 -8.385 3.677 25.701 1.00 0.00 C ATOM 854 C ASN A 55 -7.412 3.034 26.685 1.00 0.00 C ATOM 855 O ASN A 55 -7.806 2.600 27.767 1.00 0.00 O ATOM 856 CB ASN A 55 -9.824 3.341 26.096 1.00 0.00 C ATOM 857 CG ASN A 55 -10.328 4.208 27.234 1.00 0.00 C ATOM 858 OD1 ASN A 55 -9.832 4.125 28.358 1.00 0.00 O ATOM 859 ND2 ASN A 55 -11.318 5.044 26.947 1.00 0.00 N ATOM 0 H ASN A 55 -7.948 2.228 24.249 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.249 4.758 25.736 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -10.475 3.468 25.231 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.882 2.292 26.388 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.699 5.652 27.672 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -11.698 5.079 26.001 1.00 0.00 H new ATOM 866 N MET A 56 -6.141 2.978 26.302 1.00 0.00 N ATOM 867 CA MET A 56 -5.112 2.390 27.152 1.00 0.00 C ATOM 868 C MET A 56 -4.168 3.464 27.684 1.00 0.00 C ATOM 869 O MET A 56 -3.281 3.932 26.970 1.00 0.00 O ATOM 870 CB MET A 56 -4.320 1.337 26.375 1.00 0.00 C ATOM 871 CG MET A 56 -3.270 0.626 27.214 1.00 0.00 C ATOM 872 SD MET A 56 -3.618 -1.131 27.419 1.00 0.00 S ATOM 873 CE MET A 56 -3.507 -1.698 25.723 1.00 0.00 C ATOM 0 H MET A 56 -5.799 3.332 25.409 1.00 0.00 H new ATOM 0 HA MET A 56 -5.604 1.912 27.999 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.012 0.598 25.971 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.832 1.815 25.525 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.293 0.747 26.745 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.213 1.098 28.195 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.074 -2.622 25.611 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.917 -0.938 25.058 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.463 -1.879 25.467 1.00 0.00 H new ATOM 883 N ASP A 57 -4.365 3.849 28.940 1.00 0.00 N ATOM 884 CA ASP A 57 -3.531 4.867 29.567 1.00 0.00 C ATOM 885 C ASP A 57 -2.067 4.437 29.581 1.00 0.00 C ATOM 886 O ASP A 57 -1.759 3.247 29.633 1.00 0.00 O ATOM 887 CB ASP A 57 -4.008 5.139 30.995 1.00 0.00 C ATOM 888 CG ASP A 57 -4.335 3.865 31.749 1.00 0.00 C ATOM 889 OD1 ASP A 57 -3.396 3.223 32.263 1.00 0.00 O ATOM 890 OD2 ASP A 57 -5.530 3.511 31.826 1.00 0.00 O ATOM 0 H ASP A 57 -5.095 3.471 29.544 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.617 5.783 28.982 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.237 5.689 31.534 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.892 5.777 30.965 1.00 0.00 H new ATOM 895 N GLY A 58 -1.168 5.415 29.532 1.00 0.00 N ATOM 896 CA GLY A 58 0.253 5.118 29.538 1.00 0.00 C ATOM 897 C GLY A 58 0.621 4.068 30.567 1.00 0.00 C ATOM 898 O GLY A 58 1.503 3.242 30.334 1.00 0.00 O ATOM 0 H GLY A 58 -1.398 6.408 29.488 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.553 4.774 28.548 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.811 6.032 29.740 1.00 0.00 H new ATOM 902 N LYS A 59 -0.055 4.100 31.711 1.00 0.00 N ATOM 903 CA LYS A 59 0.205 3.145 32.781 1.00 0.00 C ATOM 904 C LYS A 59 -0.119 1.723 32.332 1.00 0.00 C ATOM 905 O LYS A 59 0.668 0.802 32.545 1.00 0.00 O ATOM 906 CB LYS A 59 -0.619 3.499 34.021 1.00 0.00 C ATOM 907 CG LYS A 59 -0.276 4.856 34.612 1.00 0.00 C ATOM 908 CD LYS A 59 0.711 4.730 35.760 1.00 0.00 C ATOM 909 CE LYS A 59 2.053 4.194 35.285 1.00 0.00 C ATOM 910 NZ LYS A 59 2.116 2.708 35.362 1.00 0.00 N ATOM 0 H LYS A 59 -0.788 4.778 31.920 1.00 0.00 H new ATOM 0 HA LYS A 59 1.265 3.197 33.030 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.677 3.482 33.761 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.465 2.732 34.780 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.146 5.496 33.837 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.186 5.341 34.965 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.852 5.704 36.228 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.302 4.066 36.522 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.228 4.512 34.257 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.851 4.623 35.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.960 2.424 35.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.264 2.349 35.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.168 2.312 34.402 1.00 0.00 H new ATOM 924 N GLU A 60 -1.281 1.554 31.709 1.00 0.00 N ATOM 925 CA GLU A 60 -1.707 0.245 31.230 1.00 0.00 C ATOM 926 C GLU A 60 -0.920 -0.162 29.987 1.00 0.00 C ATOM 927 O GLU A 60 -0.981 -1.312 29.548 1.00 0.00 O ATOM 928 CB GLU A 60 -3.205 0.254 30.918 1.00 0.00 C ATOM 929 CG GLU A 60 -4.085 0.265 32.156 1.00 0.00 C ATOM 930 CD GLU A 60 -4.502 -1.127 32.589 1.00 0.00 C ATOM 931 OE1 GLU A 60 -4.912 -1.921 31.716 1.00 0.00 O ATOM 932 OE2 GLU A 60 -4.418 -1.423 33.799 1.00 0.00 O ATOM 0 H GLU A 60 -1.944 2.307 31.524 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.512 -0.483 32.017 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.436 1.129 30.311 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.448 -0.623 30.318 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.550 0.750 32.973 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.975 0.862 31.959 1.00 0.00 H new ATOM 939 N LEU A 61 -0.181 0.788 29.425 1.00 0.00 N ATOM 940 CA LEU A 61 0.618 0.530 28.232 1.00 0.00 C ATOM 941 C LEU A 61 2.008 0.025 28.607 1.00 0.00 C ATOM 942 O LEU A 61 2.625 -0.737 27.861 1.00 0.00 O ATOM 943 CB LEU A 61 0.736 1.800 27.388 1.00 0.00 C ATOM 944 CG LEU A 61 1.631 1.705 26.152 1.00 0.00 C ATOM 945 CD1 LEU A 61 1.061 0.708 25.156 1.00 0.00 C ATOM 946 CD2 LEU A 61 1.796 3.073 25.506 1.00 0.00 C ATOM 0 H LEU A 61 -0.118 1.744 29.776 1.00 0.00 H new ATOM 0 HA LEU A 61 0.116 -0.241 27.648 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.264 2.092 27.066 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.113 2.601 28.024 1.00 0.00 H new ATOM 0 HG LEU A 61 2.614 1.353 26.465 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.711 0.654 24.283 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.996 -0.275 25.622 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.066 1.030 24.848 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.436 2.986 24.628 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.820 3.454 25.207 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.251 3.760 26.220 1.00 0.00 H new ATOM 958 N CYS A 62 2.494 0.452 29.767 1.00 0.00 N ATOM 959 CA CYS A 62 3.810 0.042 30.242 1.00 0.00 C ATOM 960 C CYS A 62 3.734 -1.300 30.964 1.00 0.00 C ATOM 961 O CYS A 62 4.752 -1.955 31.188 1.00 0.00 O ATOM 962 CB CYS A 62 4.393 1.104 31.175 1.00 0.00 C ATOM 963 SG CYS A 62 4.556 2.740 30.421 1.00 0.00 S ATOM 0 H CYS A 62 1.996 1.082 30.396 1.00 0.00 H new ATOM 0 HA CYS A 62 4.463 -0.068 29.376 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.759 1.184 32.058 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.374 0.774 31.516 1.00 0.00 H new ATOM 0 HG CYS A 62 3.376 3.254 30.239 1.00 0.00 H new ATOM 969 N LYS A 63 2.521 -1.702 31.328 1.00 0.00 N ATOM 970 CA LYS A 63 2.311 -2.965 32.025 1.00 0.00 C ATOM 971 C LYS A 63 2.085 -4.102 31.034 1.00 0.00 C ATOM 972 O LYS A 63 2.400 -5.257 31.319 1.00 0.00 O ATOM 973 CB LYS A 63 1.114 -2.854 32.973 1.00 0.00 C ATOM 974 CG LYS A 63 -0.228 -2.859 32.261 1.00 0.00 C ATOM 975 CD LYS A 63 -1.383 -2.817 33.247 1.00 0.00 C ATOM 976 CE LYS A 63 -1.777 -4.213 33.705 1.00 0.00 C ATOM 977 NZ LYS A 63 -3.254 -4.367 33.806 1.00 0.00 N ATOM 0 H LYS A 63 1.668 -1.171 31.152 1.00 0.00 H new ATOM 0 HA LYS A 63 3.207 -3.185 32.605 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.144 -3.683 33.681 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.205 -1.936 33.553 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.289 -2.001 31.591 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.309 -3.753 31.642 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.103 -2.215 34.111 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.241 -2.330 32.784 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.382 -4.950 33.005 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.323 -4.419 34.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.489 -4.909 34.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.698 -3.428 33.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.608 -4.872 32.969 1.00 0.00 H new ATOM 991 N MET A 64 1.538 -3.767 29.870 1.00 0.00 N ATOM 992 CA MET A 64 1.273 -4.761 28.837 1.00 0.00 C ATOM 993 C MET A 64 2.522 -5.587 28.543 1.00 0.00 C ATOM 994 O MET A 64 3.644 -5.102 28.683 1.00 0.00 O ATOM 995 CB MET A 64 0.786 -4.080 27.557 1.00 0.00 C ATOM 996 CG MET A 64 -0.612 -3.494 27.674 1.00 0.00 C ATOM 997 SD MET A 64 -1.849 -4.466 26.793 1.00 0.00 S ATOM 998 CE MET A 64 -1.226 -4.366 25.117 1.00 0.00 C ATOM 0 H MET A 64 1.270 -2.815 29.619 1.00 0.00 H new ATOM 0 HA MET A 64 0.494 -5.430 29.204 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.483 -3.285 27.290 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.801 -4.804 26.742 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.888 -3.430 28.727 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.609 -2.477 27.283 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.061 -4.258 24.424 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.565 -3.504 25.026 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.673 -5.275 24.880 1.00 0.00 H new ATOM 1008 N ASN A 65 2.319 -6.836 28.136 1.00 0.00 N ATOM 1009 CA ASN A 65 3.429 -7.728 27.824 1.00 0.00 C ATOM 1010 C ASN A 65 3.353 -8.205 26.377 1.00 0.00 C ATOM 1011 O ASN A 65 2.436 -7.844 25.640 1.00 0.00 O ATOM 1012 CB ASN A 65 3.425 -8.931 28.770 1.00 0.00 C ATOM 1013 CG ASN A 65 2.912 -8.577 30.153 1.00 0.00 C ATOM 1014 OD1 ASN A 65 3.420 -7.662 30.800 1.00 0.00 O ATOM 1015 ND2 ASN A 65 1.900 -9.304 30.612 1.00 0.00 N ATOM 0 H ASN A 65 1.396 -7.253 28.015 1.00 0.00 H new ATOM 0 HA ASN A 65 4.357 -7.173 27.957 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.805 -9.721 28.346 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.436 -9.329 28.851 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.513 -9.113 31.536 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.510 -10.053 30.040 1.00 0.00 H new ATOM 1022 N LYS A 66 4.324 -9.020 25.977 1.00 0.00 N ATOM 1023 CA LYS A 66 4.368 -9.549 24.619 1.00 0.00 C ATOM 1024 C LYS A 66 3.039 -10.199 24.245 1.00 0.00 C ATOM 1025 O LYS A 66 2.565 -10.056 23.119 1.00 0.00 O ATOM 1026 CB LYS A 66 5.502 -10.568 24.483 1.00 0.00 C ATOM 1027 CG LYS A 66 5.775 -10.986 23.049 1.00 0.00 C ATOM 1028 CD LYS A 66 7.125 -10.480 22.568 1.00 0.00 C ATOM 1029 CE LYS A 66 7.364 -10.832 21.108 1.00 0.00 C ATOM 1030 NZ LYS A 66 8.666 -11.528 20.912 1.00 0.00 N ATOM 0 H LYS A 66 5.091 -9.328 26.574 1.00 0.00 H new ATOM 0 HA LYS A 66 4.551 -8.718 23.938 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.412 -10.145 24.909 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.256 -11.453 25.070 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.745 -12.073 22.974 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.989 -10.600 22.400 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.176 -9.399 22.696 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.916 -10.911 23.182 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.554 -11.468 20.750 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.344 -9.923 20.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.037 -11.311 19.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.344 -11.205 21.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.528 -12.555 21.002 1.00 0.00 H new ATOM 1044 N GLU A 67 2.444 -10.910 25.198 1.00 0.00 N ATOM 1045 CA GLU A 67 1.170 -11.580 24.966 1.00 0.00 C ATOM 1046 C GLU A 67 0.050 -10.564 24.761 1.00 0.00 C ATOM 1047 O GLU A 67 -0.603 -10.547 23.717 1.00 0.00 O ATOM 1048 CB GLU A 67 0.830 -12.498 26.143 1.00 0.00 C ATOM 1049 CG GLU A 67 0.965 -13.976 25.819 1.00 0.00 C ATOM 1050 CD GLU A 67 -0.295 -14.557 25.207 1.00 0.00 C ATOM 1051 OE1 GLU A 67 -1.395 -14.069 25.541 1.00 0.00 O ATOM 1052 OE2 GLU A 67 -0.181 -15.497 24.394 1.00 0.00 O ATOM 0 H GLU A 67 2.823 -11.037 26.136 1.00 0.00 H new ATOM 0 HA GLU A 67 1.264 -12.180 24.061 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.483 -12.257 26.982 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.191 -12.297 26.467 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.798 -14.118 25.130 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.207 -14.523 26.730 1.00 0.00 H new ATOM 1059 N ASP A 68 -0.165 -9.719 25.763 1.00 0.00 N ATOM 1060 CA ASP A 68 -1.205 -8.699 25.693 1.00 0.00 C ATOM 1061 C ASP A 68 -1.035 -7.834 24.448 1.00 0.00 C ATOM 1062 O ASP A 68 -2.006 -7.293 23.918 1.00 0.00 O ATOM 1063 CB ASP A 68 -1.175 -7.822 26.946 1.00 0.00 C ATOM 1064 CG ASP A 68 -1.048 -8.636 28.219 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -1.492 -9.803 28.223 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -0.506 -8.105 29.211 1.00 0.00 O ATOM 0 H ASP A 68 0.367 -9.720 26.633 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.170 -9.203 25.635 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.339 -7.125 26.879 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.085 -7.224 26.990 1.00 0.00 H new ATOM 1071 N PHE A 69 0.205 -7.708 23.986 1.00 0.00 N ATOM 1072 CA PHE A 69 0.503 -6.907 22.805 1.00 0.00 C ATOM 1073 C PHE A 69 0.264 -7.710 21.529 1.00 0.00 C ATOM 1074 O PHE A 69 -0.149 -7.163 20.505 1.00 0.00 O ATOM 1075 CB PHE A 69 1.951 -6.415 22.847 1.00 0.00 C ATOM 1076 CG PHE A 69 2.096 -5.024 23.395 1.00 0.00 C ATOM 1077 CD1 PHE A 69 1.611 -3.934 22.689 1.00 0.00 C ATOM 1078 CD2 PHE A 69 2.716 -4.806 24.614 1.00 0.00 C ATOM 1079 CE1 PHE A 69 1.742 -2.652 23.190 1.00 0.00 C ATOM 1080 CE2 PHE A 69 2.850 -3.527 25.120 1.00 0.00 C ATOM 1081 CZ PHE A 69 2.363 -2.448 24.407 1.00 0.00 C ATOM 0 H PHE A 69 1.019 -8.151 24.412 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.166 -6.046 22.803 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.542 -7.100 23.455 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.366 -6.445 21.839 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.125 -4.088 21.737 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.099 -5.645 25.176 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.359 -1.811 22.631 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.335 -3.371 26.072 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.468 -1.448 24.800 1.00 0.00 H new ATOM 1091 N LEU A 70 0.527 -9.010 21.598 1.00 0.00 N ATOM 1092 CA LEU A 70 0.342 -9.890 20.449 1.00 0.00 C ATOM 1093 C LEU A 70 -1.139 -10.059 20.126 1.00 0.00 C ATOM 1094 O LEU A 70 -1.500 -10.471 19.023 1.00 0.00 O ATOM 1095 CB LEU A 70 0.975 -11.256 20.721 1.00 0.00 C ATOM 1096 CG LEU A 70 2.379 -11.469 20.154 1.00 0.00 C ATOM 1097 CD1 LEU A 70 2.925 -12.824 20.576 1.00 0.00 C ATOM 1098 CD2 LEU A 70 2.366 -11.347 18.637 1.00 0.00 C ATOM 0 H LEU A 70 0.869 -9.478 22.437 1.00 0.00 H new ATOM 0 HA LEU A 70 0.833 -9.433 19.590 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.013 -11.408 21.800 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.320 -12.026 20.314 1.00 0.00 H new ATOM 0 HG LEU A 70 3.033 -10.695 20.555 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.925 -12.958 20.163 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.972 -12.875 21.664 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.270 -13.612 20.204 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.374 -11.501 18.251 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.697 -12.099 18.217 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.018 -10.353 18.355 1.00 0.00 H new ATOM 1110 N ARG A 71 -1.991 -9.736 21.093 1.00 0.00 N ATOM 1111 CA ARG A 71 -3.433 -9.850 20.910 1.00 0.00 C ATOM 1112 C ARG A 71 -3.989 -8.625 20.191 1.00 0.00 C ATOM 1113 O ARG A 71 -5.195 -8.519 19.967 1.00 0.00 O ATOM 1114 CB ARG A 71 -4.128 -10.020 22.263 1.00 0.00 C ATOM 1115 CG ARG A 71 -3.750 -11.303 22.984 1.00 0.00 C ATOM 1116 CD ARG A 71 -4.809 -11.703 24.001 1.00 0.00 C ATOM 1117 NE ARG A 71 -4.711 -13.113 24.367 1.00 0.00 N ATOM 1118 CZ ARG A 71 -5.292 -13.635 25.442 1.00 0.00 C ATOM 1119 NH1 ARG A 71 -6.009 -12.868 26.251 1.00 0.00 N ATOM 1120 NH2 ARG A 71 -5.156 -14.928 25.708 1.00 0.00 N ATOM 0 H ARG A 71 -1.708 -9.393 22.011 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.628 -10.729 20.296 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.881 -9.170 22.898 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.207 -10.002 22.112 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.620 -12.105 22.258 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.792 -11.170 23.487 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.704 -11.088 24.895 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.799 -11.503 23.591 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.167 -13.731 23.765 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.116 -11.874 26.049 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.454 -13.272 27.075 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.605 -15.521 25.087 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.602 -15.329 26.533 1.00 0.00 H new ATOM 1134 N ALA A 72 -3.102 -7.703 19.832 1.00 0.00 N ATOM 1135 CA ALA A 72 -3.504 -6.486 19.137 1.00 0.00 C ATOM 1136 C ALA A 72 -2.605 -6.218 17.935 1.00 0.00 C ATOM 1137 O ALA A 72 -3.073 -5.788 16.880 1.00 0.00 O ATOM 1138 CB ALA A 72 -3.480 -5.301 20.091 1.00 0.00 C ATOM 0 H ALA A 72 -2.100 -7.775 20.011 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.522 -6.625 18.773 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.782 -4.399 19.559 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.169 -5.484 20.916 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.471 -5.170 20.483 1.00 0.00 H new ATOM 1144 N THR A 73 -1.311 -6.474 18.101 1.00 0.00 N ATOM 1145 CA THR A 73 -0.347 -6.259 17.030 1.00 0.00 C ATOM 1146 C THR A 73 0.422 -7.538 16.717 1.00 0.00 C ATOM 1147 O THR A 73 0.540 -8.427 17.561 1.00 0.00 O ATOM 1148 CB THR A 73 0.655 -5.146 17.391 1.00 0.00 C ATOM 1149 OG1 THR A 73 1.360 -4.722 16.219 1.00 0.00 O ATOM 1150 CG2 THR A 73 1.647 -5.631 18.438 1.00 0.00 C ATOM 0 H THR A 73 -0.907 -6.830 18.967 1.00 0.00 H new ATOM 0 HA THR A 73 -0.915 -5.955 16.150 1.00 0.00 H new ATOM 0 HB THR A 73 0.097 -4.305 17.803 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.720 -4.547 15.498 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.345 -4.829 18.677 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.110 -5.926 19.339 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.198 -6.487 18.048 1.00 0.00 H new ATOM 1158 N THR A 74 0.947 -7.625 15.498 1.00 0.00 N ATOM 1159 CA THR A 74 1.704 -8.795 15.074 1.00 0.00 C ATOM 1160 C THR A 74 2.963 -8.970 15.916 1.00 0.00 C ATOM 1161 O THR A 74 3.375 -8.056 16.632 1.00 0.00 O ATOM 1162 CB THR A 74 2.103 -8.698 13.589 1.00 0.00 C ATOM 1163 OG1 THR A 74 2.818 -9.875 13.197 1.00 0.00 O ATOM 1164 CG2 THR A 74 2.963 -7.469 13.339 1.00 0.00 C ATOM 0 H THR A 74 0.861 -6.898 14.788 1.00 0.00 H new ATOM 0 HA THR A 74 1.054 -9.659 15.213 1.00 0.00 H new ATOM 0 HB THR A 74 1.193 -8.611 12.995 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.067 -9.807 12.252 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.232 -7.422 12.284 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.405 -6.573 13.612 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.869 -7.530 13.942 1.00 0.00 H new ATOM 1172 N LEU A 75 3.571 -10.148 15.826 1.00 0.00 N ATOM 1173 CA LEU A 75 4.785 -10.442 16.579 1.00 0.00 C ATOM 1174 C LEU A 75 5.887 -9.441 16.250 1.00 0.00 C ATOM 1175 O LEU A 75 6.475 -8.833 17.144 1.00 0.00 O ATOM 1176 CB LEU A 75 5.264 -11.863 16.277 1.00 0.00 C ATOM 1177 CG LEU A 75 6.701 -12.188 16.687 1.00 0.00 C ATOM 1178 CD1 LEU A 75 6.856 -12.106 18.198 1.00 0.00 C ATOM 1179 CD2 LEU A 75 7.100 -13.567 16.183 1.00 0.00 C ATOM 0 H LEU A 75 3.243 -10.915 15.239 1.00 0.00 H new ATOM 0 HA LEU A 75 4.552 -10.361 17.641 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.597 -12.564 16.778 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.164 -12.039 15.206 1.00 0.00 H new ATOM 0 HG LEU A 75 7.364 -11.451 16.233 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.885 -12.340 18.471 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.611 -11.099 18.535 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.183 -12.820 18.672 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.125 -13.782 16.484 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.433 -14.317 16.608 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.028 -13.592 15.096 1.00 0.00 H new ATOM 1191 N TYR A 76 6.159 -9.272 14.961 1.00 0.00 N ATOM 1192 CA TYR A 76 7.191 -8.344 14.512 1.00 0.00 C ATOM 1193 C TYR A 76 7.021 -6.980 15.173 1.00 0.00 C ATOM 1194 O TYR A 76 7.960 -6.437 15.752 1.00 0.00 O ATOM 1195 CB TYR A 76 7.147 -8.196 12.991 1.00 0.00 C ATOM 1196 CG TYR A 76 8.247 -7.320 12.436 1.00 0.00 C ATOM 1197 CD1 TYR A 76 8.177 -5.936 12.533 1.00 0.00 C ATOM 1198 CD2 TYR A 76 9.357 -7.877 11.812 1.00 0.00 C ATOM 1199 CE1 TYR A 76 9.180 -5.132 12.027 1.00 0.00 C ATOM 1200 CE2 TYR A 76 10.365 -7.081 11.305 1.00 0.00 C ATOM 1201 CZ TYR A 76 10.272 -5.709 11.414 1.00 0.00 C ATOM 1202 OH TYR A 76 11.274 -4.913 10.908 1.00 0.00 O ATOM 0 H TYR A 76 5.679 -9.765 14.208 1.00 0.00 H new ATOM 0 HA TYR A 76 8.160 -8.750 14.802 1.00 0.00 H new ATOM 0 HB2 TYR A 76 7.216 -9.184 12.536 1.00 0.00 H new ATOM 0 HB3 TYR A 76 6.182 -7.779 12.703 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.323 -5.480 13.013 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.432 -8.951 11.722 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.109 -4.058 12.111 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.222 -7.530 10.825 1.00 0.00 H new ATOM 0 HH TYR A 76 11.970 -5.477 10.510 1.00 0.00 H new ATOM 1212 N ASN A 77 5.813 -6.432 15.082 1.00 0.00 N ATOM 1213 CA ASN A 77 5.517 -5.131 15.671 1.00 0.00 C ATOM 1214 C ASN A 77 5.655 -5.177 17.189 1.00 0.00 C ATOM 1215 O ASN A 77 6.098 -4.213 17.814 1.00 0.00 O ATOM 1216 CB ASN A 77 4.105 -4.684 15.289 1.00 0.00 C ATOM 1217 CG ASN A 77 3.970 -4.399 13.805 1.00 0.00 C ATOM 1218 OD1 ASN A 77 4.965 -4.314 13.085 1.00 0.00 O ATOM 1219 ND2 ASN A 77 2.735 -4.249 13.342 1.00 0.00 N ATOM 0 H ASN A 77 5.024 -6.869 14.606 1.00 0.00 H new ATOM 0 HA ASN A 77 6.236 -4.411 15.280 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.392 -5.458 15.574 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.845 -3.788 15.853 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.581 -4.055 12.353 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.940 -4.328 13.976 1.00 0.00 H new ATOM 1226 N THR A 78 5.272 -6.306 17.779 1.00 0.00 N ATOM 1227 CA THR A 78 5.352 -6.478 19.224 1.00 0.00 C ATOM 1228 C THR A 78 6.782 -6.301 19.721 1.00 0.00 C ATOM 1229 O THR A 78 7.014 -5.698 20.768 1.00 0.00 O ATOM 1230 CB THR A 78 4.840 -7.866 19.653 1.00 0.00 C ATOM 1231 OG1 THR A 78 3.484 -8.041 19.227 1.00 0.00 O ATOM 1232 CG2 THR A 78 4.927 -8.032 21.163 1.00 0.00 C ATOM 0 H THR A 78 4.903 -7.114 17.278 1.00 0.00 H new ATOM 0 HA THR A 78 4.718 -5.711 19.669 1.00 0.00 H new ATOM 0 HB THR A 78 5.469 -8.622 19.183 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.469 -8.314 18.286 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.560 -9.020 21.442 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.964 -7.927 21.481 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.319 -7.269 21.649 1.00 0.00 H new ATOM 1240 N GLU A 79 7.737 -6.830 18.962 1.00 0.00 N ATOM 1241 CA GLU A 79 9.145 -6.730 19.327 1.00 0.00 C ATOM 1242 C GLU A 79 9.620 -5.281 19.270 1.00 0.00 C ATOM 1243 O GLU A 79 10.429 -4.848 20.091 1.00 0.00 O ATOM 1244 CB GLU A 79 9.999 -7.594 18.397 1.00 0.00 C ATOM 1245 CG GLU A 79 9.900 -9.082 18.689 1.00 0.00 C ATOM 1246 CD GLU A 79 11.250 -9.712 18.974 1.00 0.00 C ATOM 1247 OE1 GLU A 79 11.781 -9.501 20.085 1.00 0.00 O ATOM 1248 OE2 GLU A 79 11.775 -10.416 18.086 1.00 0.00 O ATOM 0 H GLU A 79 7.561 -7.332 18.091 1.00 0.00 H new ATOM 0 HA GLU A 79 9.255 -7.091 20.350 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.695 -7.413 17.366 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.041 -7.284 18.481 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.243 -9.238 19.545 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.441 -9.586 17.838 1.00 0.00 H new ATOM 1255 N VAL A 80 9.111 -4.535 18.294 1.00 0.00 N ATOM 1256 CA VAL A 80 9.482 -3.135 18.129 1.00 0.00 C ATOM 1257 C VAL A 80 8.932 -2.283 19.268 1.00 0.00 C ATOM 1258 O VAL A 80 9.674 -1.553 19.926 1.00 0.00 O ATOM 1259 CB VAL A 80 8.970 -2.573 16.790 1.00 0.00 C ATOM 1260 CG1 VAL A 80 9.304 -1.094 16.669 1.00 0.00 C ATOM 1261 CG2 VAL A 80 9.556 -3.357 15.625 1.00 0.00 C ATOM 0 H VAL A 80 8.441 -4.877 17.606 1.00 0.00 H new ATOM 0 HA VAL A 80 10.571 -3.093 18.140 1.00 0.00 H new ATOM 0 HB VAL A 80 7.886 -2.680 16.762 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.934 -0.714 15.716 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.833 -0.547 17.485 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.385 -0.960 16.718 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.184 -2.947 14.686 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.643 -3.284 15.647 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.261 -4.403 15.706 1.00 0.00 H new ATOM 1271 N LEU A 81 7.627 -2.382 19.497 1.00 0.00 N ATOM 1272 CA LEU A 81 6.977 -1.620 20.558 1.00 0.00 C ATOM 1273 C LEU A 81 7.612 -1.920 21.911 1.00 0.00 C ATOM 1274 O LEU A 81 8.048 -1.012 22.620 1.00 0.00 O ATOM 1275 CB LEU A 81 5.482 -1.943 20.600 1.00 0.00 C ATOM 1276 CG LEU A 81 4.715 -1.744 19.293 1.00 0.00 C ATOM 1277 CD1 LEU A 81 3.411 -2.526 19.315 1.00 0.00 C ATOM 1278 CD2 LEU A 81 4.447 -0.265 19.051 1.00 0.00 C ATOM 0 H LEU A 81 6.999 -2.982 18.963 1.00 0.00 H new ATOM 0 HA LEU A 81 7.108 -0.559 20.344 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.364 -2.980 20.913 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.018 -1.324 21.368 1.00 0.00 H new ATOM 0 HG LEU A 81 5.328 -2.121 18.474 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.879 -2.372 18.376 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.625 -3.587 19.441 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.793 -2.180 20.144 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.900 -0.143 18.116 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.855 0.137 19.873 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.394 0.271 18.990 1.00 0.00 H new ATOM 1290 N LEU A 82 7.663 -3.200 22.264 1.00 0.00 N ATOM 1291 CA LEU A 82 8.248 -3.621 23.533 1.00 0.00 C ATOM 1292 C LEU A 82 9.673 -3.097 23.676 1.00 0.00 C ATOM 1293 O LEU A 82 10.055 -2.585 24.729 1.00 0.00 O ATOM 1294 CB LEU A 82 8.241 -5.147 23.639 1.00 0.00 C ATOM 1295 CG LEU A 82 7.008 -5.768 24.297 1.00 0.00 C ATOM 1296 CD1 LEU A 82 7.002 -5.487 25.791 1.00 0.00 C ATOM 1297 CD2 LEU A 82 5.735 -5.242 23.648 1.00 0.00 C ATOM 0 H LEU A 82 7.307 -3.964 21.690 1.00 0.00 H new ATOM 0 HA LEU A 82 7.644 -3.204 24.339 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.340 -5.561 22.636 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.123 -5.456 24.200 1.00 0.00 H new ATOM 0 HG LEU A 82 7.047 -6.848 24.151 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.117 -5.936 26.242 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.897 -5.913 26.245 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.987 -4.410 25.959 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.868 -5.695 24.129 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.689 -4.159 23.762 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.736 -5.495 22.588 1.00 0.00 H new ATOM 1309 N SER A 83 10.456 -3.226 22.609 1.00 0.00 N ATOM 1310 CA SER A 83 11.840 -2.767 22.616 1.00 0.00 C ATOM 1311 C SER A 83 11.910 -1.255 22.805 1.00 0.00 C ATOM 1312 O SER A 83 12.695 -0.754 23.611 1.00 0.00 O ATOM 1313 CB SER A 83 12.537 -3.162 21.313 1.00 0.00 C ATOM 1314 OG SER A 83 13.779 -2.494 21.177 1.00 0.00 O ATOM 0 H SER A 83 10.155 -3.645 21.729 1.00 0.00 H new ATOM 0 HA SER A 83 12.351 -3.244 23.452 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.696 -4.240 21.294 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.895 -2.920 20.466 1.00 0.00 H new ATOM 0 HG SER A 83 14.206 -2.764 20.337 1.00 0.00 H new ATOM 1320 N HIS A 84 11.082 -0.532 22.057 1.00 0.00 N ATOM 1321 CA HIS A 84 11.048 0.924 22.141 1.00 0.00 C ATOM 1322 C HIS A 84 10.672 1.377 23.549 1.00 0.00 C ATOM 1323 O HIS A 84 11.407 2.134 24.185 1.00 0.00 O ATOM 1324 CB HIS A 84 10.055 1.492 21.127 1.00 0.00 C ATOM 1325 CG HIS A 84 10.248 2.951 20.853 1.00 0.00 C ATOM 1326 ND1 HIS A 84 11.149 3.595 20.075 1.00 0.00 N flip ATOM 1327 CD2 HIS A 84 9.457 3.933 21.413 1.00 0.00 C flip ATOM 1328 CE1 HIS A 84 10.889 4.939 20.176 1.00 0.00 C flip ATOM 1329 NE2 HIS A 84 9.862 5.117 20.989 1.00 0.00 N flip ATOM 0 H HIS A 84 10.426 -0.931 21.386 1.00 0.00 H new ATOM 0 HA HIS A 84 12.045 1.301 21.911 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.147 0.940 20.192 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.041 1.331 21.494 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.635 3.761 22.092 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.435 5.724 19.673 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.452 6.015 21.245 1.00 0.00 H new ATOM 1337 N LEU A 85 9.524 0.912 24.028 1.00 0.00 N ATOM 1338 CA LEU A 85 9.050 1.270 25.360 1.00 0.00 C ATOM 1339 C LEU A 85 10.058 0.855 26.427 1.00 0.00 C ATOM 1340 O LEU A 85 10.220 1.535 27.440 1.00 0.00 O ATOM 1341 CB LEU A 85 7.697 0.611 25.636 1.00 0.00 C ATOM 1342 CG LEU A 85 6.617 1.517 26.228 1.00 0.00 C ATOM 1343 CD1 LEU A 85 5.537 1.804 25.197 1.00 0.00 C ATOM 1344 CD2 LEU A 85 6.014 0.883 27.473 1.00 0.00 C ATOM 0 H LEU A 85 8.904 0.286 23.514 1.00 0.00 H new ATOM 0 HA LEU A 85 8.934 2.353 25.398 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.321 0.194 24.702 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.855 -0.225 26.317 1.00 0.00 H new ATOM 0 HG LEU A 85 7.078 2.463 26.513 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.777 2.450 25.636 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.981 2.300 24.334 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.078 0.867 24.881 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.247 1.541 27.881 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.567 -0.077 27.213 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.795 0.730 28.218 1.00 0.00 H new ATOM 1356 N SER A 86 10.734 -0.264 26.191 1.00 0.00 N ATOM 1357 CA SER A 86 11.726 -0.771 27.133 1.00 0.00 C ATOM 1358 C SER A 86 12.738 0.312 27.491 1.00 0.00 C ATOM 1359 O SER A 86 13.256 0.350 28.607 1.00 0.00 O ATOM 1360 CB SER A 86 12.447 -1.984 26.543 1.00 0.00 C ATOM 1361 OG SER A 86 12.000 -3.186 27.145 1.00 0.00 O ATOM 0 H SER A 86 10.614 -0.837 25.356 1.00 0.00 H new ATOM 0 HA SER A 86 11.206 -1.073 28.042 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.274 -2.026 25.468 1.00 0.00 H new ATOM 0 HB3 SER A 86 13.522 -1.878 26.689 1.00 0.00 H new ATOM 0 HG SER A 86 12.475 -3.946 26.749 1.00 0.00 H new ATOM 1367 N TYR A 87 13.016 1.192 26.535 1.00 0.00 N ATOM 1368 CA TYR A 87 13.968 2.276 26.748 1.00 0.00 C ATOM 1369 C TYR A 87 13.291 3.476 27.403 1.00 0.00 C ATOM 1370 O TYR A 87 13.733 3.959 28.447 1.00 0.00 O ATOM 1371 CB TYR A 87 14.600 2.696 25.419 1.00 0.00 C ATOM 1372 CG TYR A 87 15.461 3.934 25.523 1.00 0.00 C ATOM 1373 CD1 TYR A 87 16.651 3.919 26.239 1.00 0.00 C ATOM 1374 CD2 TYR A 87 15.085 5.119 24.902 1.00 0.00 C ATOM 1375 CE1 TYR A 87 17.441 5.048 26.337 1.00 0.00 C ATOM 1376 CE2 TYR A 87 15.869 6.253 24.993 1.00 0.00 C ATOM 1377 CZ TYR A 87 17.046 6.212 25.712 1.00 0.00 C ATOM 1378 OH TYR A 87 17.830 7.339 25.806 1.00 0.00 O ATOM 0 H TYR A 87 12.596 1.176 25.606 1.00 0.00 H new ATOM 0 HA TYR A 87 14.749 1.913 27.416 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.205 1.873 25.038 1.00 0.00 H new ATOM 0 HB3 TYR A 87 13.809 2.874 24.690 1.00 0.00 H new ATOM 0 HD1 TYR A 87 16.964 3.008 26.728 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.164 5.154 24.339 1.00 0.00 H new ATOM 0 HE1 TYR A 87 18.362 5.019 26.900 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.562 7.166 24.504 1.00 0.00 H new ATOM 0 HH TYR A 87 17.410 8.072 25.309 1.00 0.00 H new ATOM 1388 N LEU A 88 12.217 3.951 26.784 1.00 0.00 N ATOM 1389 CA LEU A 88 11.476 5.095 27.307 1.00 0.00 C ATOM 1390 C LEU A 88 11.071 4.864 28.759 1.00 0.00 C ATOM 1391 O LEU A 88 10.919 5.811 29.529 1.00 0.00 O ATOM 1392 CB LEU A 88 10.233 5.355 26.454 1.00 0.00 C ATOM 1393 CG LEU A 88 10.473 6.053 25.114 1.00 0.00 C ATOM 1394 CD1 LEU A 88 11.101 5.092 24.117 1.00 0.00 C ATOM 1395 CD2 LEU A 88 9.170 6.617 24.566 1.00 0.00 C ATOM 0 H LEU A 88 11.839 3.563 25.920 1.00 0.00 H new ATOM 0 HA LEU A 88 12.127 5.968 27.266 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.743 4.401 26.261 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.537 5.959 27.036 1.00 0.00 H new ATOM 0 HG LEU A 88 11.164 6.880 25.275 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.264 5.606 23.170 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.055 4.736 24.506 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.434 4.244 23.959 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.359 7.110 23.612 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.456 5.807 24.420 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.760 7.339 25.273 1.00 0.00 H new