USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 684 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 110 THR OG1 : rot -62:sc= 0.0973 USER MOD Set 1.2: A 111 HIS : no HD1:sc=-0.00364 X(o=0.094,f=0.084) USER MOD Single : A 30 SER OG : rot -30:sc= 0.487 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -7.47! C(o=-11!,f=-7.5!) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.373 F(o=-2.2!,f=-0.37) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.021 F(o=-5.3!,f=-0.021) USER MOD Single : A 60 LYS NZ :NH3+ -156:sc= -1.59 (180deg=-2.51) USER MOD Single : A 66 SER OG : rot -26:sc= 0.137 USER MOD Single : A 71 SER OG : rot 180:sc= 0.196 USER MOD Single : A 76 SER OG : rot 69:sc= 0.86 USER MOD Single : A 79 GLN :FLIP amide:sc= -0.659 F(o=-2.5!,f=-0.66) USER MOD Single : A 89 MET CE :methyl -113:sc= -5.15! (180deg=-8.82!) USER MOD Single : A 91 LYS NZ :NH3+ -173:sc=-0.00378 (180deg=-0.074) USER MOD Single : A 95 THR OG1 : rot -68:sc= -0.723 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN :FLIP amide:sc= -1.21 F(o=-1.8!,f=-1.2) USER MOD Single : A 107 TYR OH : rot -130:sc= -1.19 USER MOD ----------------------------------------------------------------- ATOM 347 N ALA A 23 -12.438 -0.917 4.988 1.00 0.00 N ATOM 348 CA ALA A 23 -12.224 -2.344 4.786 1.00 0.00 C ATOM 349 C ALA A 23 -10.735 -2.663 4.713 1.00 0.00 C ATOM 350 O ALA A 23 -10.342 -3.770 4.344 1.00 0.00 O ATOM 351 CB ALA A 23 -12.927 -2.813 3.522 1.00 0.00 C ATOM 0 HA ALA A 23 -12.647 -2.875 5.638 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.757 -3.881 3.386 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.997 -2.624 3.609 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.532 -2.270 2.663 1.00 0.00 H new ATOM 357 N PHE A 24 -9.911 -1.681 5.068 1.00 0.00 N ATOM 358 CA PHE A 24 -8.467 -1.839 5.050 1.00 0.00 C ATOM 359 C PHE A 24 -8.037 -2.905 6.045 1.00 0.00 C ATOM 360 O PHE A 24 -7.204 -3.758 5.740 1.00 0.00 O ATOM 361 CB PHE A 24 -7.801 -0.510 5.398 1.00 0.00 C ATOM 362 CG PHE A 24 -6.388 -0.396 4.914 1.00 0.00 C ATOM 363 CD1 PHE A 24 -5.432 -1.328 5.284 1.00 0.00 C ATOM 364 CD2 PHE A 24 -6.015 0.648 4.090 1.00 0.00 C ATOM 365 CE1 PHE A 24 -4.134 -1.219 4.840 1.00 0.00 C ATOM 366 CE2 PHE A 24 -4.718 0.763 3.645 1.00 0.00 C ATOM 367 CZ PHE A 24 -3.775 -0.172 4.019 1.00 0.00 C ATOM 0 H PHE A 24 -10.227 -0.760 5.374 1.00 0.00 H new ATOM 0 HA PHE A 24 -8.160 -2.149 4.051 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.388 0.303 4.970 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.816 -0.379 6.480 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.709 -2.149 5.928 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.749 1.382 3.792 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.398 -1.953 5.134 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.438 1.585 3.003 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.757 -0.084 3.669 1.00 0.00 H new ATOM 377 N GLU A 25 -8.601 -2.843 7.241 1.00 0.00 N ATOM 378 CA GLU A 25 -8.265 -3.803 8.280 1.00 0.00 C ATOM 379 C GLU A 25 -8.660 -5.228 7.893 1.00 0.00 C ATOM 380 O GLU A 25 -7.818 -6.115 7.926 1.00 0.00 O ATOM 381 CB GLU A 25 -8.920 -3.445 9.599 1.00 0.00 C ATOM 382 CG GLU A 25 -8.133 -2.442 10.425 1.00 0.00 C ATOM 383 CD GLU A 25 -8.834 -2.073 11.718 1.00 0.00 C ATOM 384 OE1 GLU A 25 -8.735 -2.852 12.691 1.00 0.00 O ATOM 385 OE2 GLU A 25 -9.481 -1.005 11.759 1.00 0.00 O ATOM 0 H GLU A 25 -9.290 -2.142 7.515 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.182 -3.761 8.395 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.913 -3.040 9.402 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.057 -4.354 10.184 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.151 -2.856 10.654 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.969 -1.540 9.835 1.00 0.00 H new ATOM 392 N PRO A 26 -9.946 -5.492 7.548 1.00 0.00 N ATOM 393 CA PRO A 26 -10.379 -6.838 7.154 1.00 0.00 C ATOM 394 C PRO A 26 -9.529 -7.362 6.008 1.00 0.00 C ATOM 395 O PRO A 26 -9.512 -8.556 5.709 1.00 0.00 O ATOM 396 CB PRO A 26 -11.837 -6.659 6.712 1.00 0.00 C ATOM 397 CG PRO A 26 -12.044 -5.187 6.583 1.00 0.00 C ATOM 398 CD PRO A 26 -11.060 -4.532 7.511 1.00 0.00 C ATOM 0 HA PRO A 26 -10.278 -7.560 7.965 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.023 -7.165 5.765 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.523 -7.088 7.443 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.883 -4.862 5.555 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.066 -4.915 6.847 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.741 -3.559 7.138 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -11.486 -4.370 8.501 1.00 0.00 H new ATOM 406 N LEU A 27 -8.826 -6.433 5.377 1.00 0.00 N ATOM 407 CA LEU A 27 -7.937 -6.728 4.276 1.00 0.00 C ATOM 408 C LEU A 27 -6.574 -7.127 4.835 1.00 0.00 C ATOM 409 O LEU A 27 -5.871 -7.971 4.279 1.00 0.00 O ATOM 410 CB LEU A 27 -7.836 -5.475 3.407 1.00 0.00 C ATOM 411 CG LEU A 27 -6.475 -5.207 2.770 1.00 0.00 C ATOM 412 CD1 LEU A 27 -6.156 -6.257 1.719 1.00 0.00 C ATOM 413 CD2 LEU A 27 -6.440 -3.813 2.162 1.00 0.00 C ATOM 0 H LEU A 27 -8.861 -5.444 5.622 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.310 -7.554 3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.578 -5.548 2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.105 -4.612 4.016 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.714 -5.264 3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.182 -6.046 1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.139 -7.243 2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.919 -6.236 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.463 -3.637 1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.212 -3.730 1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.619 -3.072 2.941 1.00 0.00 H new ATOM 425 N LEU A 28 -6.227 -6.495 5.949 1.00 0.00 N ATOM 426 CA LEU A 28 -4.977 -6.753 6.649 1.00 0.00 C ATOM 427 C LEU A 28 -5.082 -8.054 7.443 1.00 0.00 C ATOM 428 O LEU A 28 -4.142 -8.845 7.501 1.00 0.00 O ATOM 429 CB LEU A 28 -4.688 -5.583 7.602 1.00 0.00 C ATOM 430 CG LEU A 28 -3.223 -5.363 7.990 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.659 -6.571 8.723 1.00 0.00 C ATOM 432 CD2 LEU A 28 -2.389 -5.042 6.761 1.00 0.00 C ATOM 0 H LEU A 28 -6.809 -5.785 6.394 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.167 -6.849 5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.060 -4.668 7.141 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.263 -5.737 8.515 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.180 -4.512 8.670 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.618 -6.384 8.985 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.236 -6.747 9.631 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.719 -7.448 8.079 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.351 -4.889 7.056 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.447 -5.871 6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.770 -4.136 6.289 1.00 0.00 H new ATOM 444 N GLU A 29 -6.250 -8.264 8.040 1.00 0.00 N ATOM 445 CA GLU A 29 -6.510 -9.445 8.846 1.00 0.00 C ATOM 446 C GLU A 29 -6.463 -10.714 7.998 1.00 0.00 C ATOM 447 O GLU A 29 -5.995 -11.759 8.450 1.00 0.00 O ATOM 448 CB GLU A 29 -7.877 -9.319 9.522 1.00 0.00 C ATOM 449 CG GLU A 29 -8.202 -10.463 10.466 1.00 0.00 C ATOM 450 CD GLU A 29 -9.514 -10.258 11.199 1.00 0.00 C ATOM 451 OE1 GLU A 29 -9.509 -9.571 12.242 1.00 0.00 O ATOM 452 OE2 GLU A 29 -10.545 -10.783 10.730 1.00 0.00 O ATOM 0 H GLU A 29 -7.039 -7.621 7.978 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.732 -9.518 9.606 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.912 -8.381 10.077 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.648 -9.264 8.754 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.247 -11.394 9.901 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.397 -10.570 11.193 1.00 0.00 H new ATOM 459 N SER A 30 -6.957 -10.612 6.767 1.00 0.00 N ATOM 460 CA SER A 30 -6.993 -11.750 5.852 1.00 0.00 C ATOM 461 C SER A 30 -5.590 -12.202 5.447 1.00 0.00 C ATOM 462 O SER A 30 -5.420 -13.290 4.898 1.00 0.00 O ATOM 463 CB SER A 30 -7.805 -11.398 4.605 1.00 0.00 C ATOM 464 OG SER A 30 -7.208 -10.328 3.893 1.00 0.00 O ATOM 0 H SER A 30 -7.339 -9.750 6.379 1.00 0.00 H new ATOM 0 HA SER A 30 -7.470 -12.577 6.378 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.881 -12.272 3.958 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.820 -11.126 4.893 1.00 0.00 H new ATOM 0 HG SER A 30 -6.740 -9.738 4.520 1.00 0.00 H new ATOM 470 N LEU A 31 -4.590 -11.366 5.708 1.00 0.00 N ATOM 471 CA LEU A 31 -3.210 -11.699 5.360 1.00 0.00 C ATOM 472 C LEU A 31 -2.755 -12.971 6.069 1.00 0.00 C ATOM 473 O LEU A 31 -1.907 -13.705 5.562 1.00 0.00 O ATOM 474 CB LEU A 31 -2.273 -10.544 5.720 1.00 0.00 C ATOM 475 CG LEU A 31 -2.480 -9.261 4.914 1.00 0.00 C ATOM 476 CD1 LEU A 31 -1.597 -8.151 5.457 1.00 0.00 C ATOM 477 CD2 LEU A 31 -2.187 -9.501 3.441 1.00 0.00 C ATOM 0 H LEU A 31 -4.706 -10.457 6.157 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.171 -11.870 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.397 -10.313 6.778 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.244 -10.877 5.585 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.522 -8.956 5.010 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.754 -7.243 4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.851 -7.961 6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.551 -8.451 5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.340 -8.576 2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.154 -9.828 3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.857 -10.271 3.057 1.00 0.00 H new ATOM 489 N SER A 32 -3.325 -13.224 7.243 1.00 0.00 N ATOM 490 CA SER A 32 -2.971 -14.405 8.024 1.00 0.00 C ATOM 491 C SER A 32 -3.897 -15.578 7.710 1.00 0.00 C ATOM 492 O SER A 32 -4.013 -16.514 8.501 1.00 0.00 O ATOM 493 CB SER A 32 -3.026 -14.084 9.519 1.00 0.00 C ATOM 494 OG SER A 32 -2.159 -13.011 9.843 1.00 0.00 O ATOM 0 H SER A 32 -4.032 -12.629 7.674 1.00 0.00 H new ATOM 0 HA SER A 32 -1.955 -14.693 7.753 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.047 -13.828 9.802 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.747 -14.967 10.094 1.00 0.00 H new ATOM 0 HG SER A 32 -2.214 -12.825 10.804 1.00 0.00 H new ATOM 500 N ASN A 33 -4.547 -15.527 6.552 1.00 0.00 N ATOM 501 CA ASN A 33 -5.460 -16.592 6.144 1.00 0.00 C ATOM 502 C ASN A 33 -4.686 -17.825 5.685 1.00 0.00 C ATOM 503 O ASN A 33 -3.567 -17.715 5.184 1.00 0.00 O ATOM 504 CB ASN A 33 -6.392 -16.111 5.029 1.00 0.00 C ATOM 505 CG ASN A 33 -5.704 -16.022 3.681 1.00 0.00 C ATOM 506 OD1 ASN A 33 -4.414 -15.709 3.686 1.00 0.00 O flip ATOM 507 ND2 ASN A 33 -6.328 -16.233 2.643 1.00 0.00 N flip ATOM 0 H ASN A 33 -4.460 -14.764 5.881 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.064 -16.864 7.010 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.241 -16.791 4.954 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.791 -15.131 5.293 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.319 -16.471 2.683 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.855 -16.170 1.742 1.00 0.00 H new ATOM 514 N GLU A 34 -5.286 -18.996 5.865 1.00 0.00 N ATOM 515 CA GLU A 34 -4.651 -20.250 5.473 1.00 0.00 C ATOM 516 C GLU A 34 -4.510 -20.350 3.955 1.00 0.00 C ATOM 517 O GLU A 34 -3.689 -21.116 3.451 1.00 0.00 O ATOM 518 CB GLU A 34 -5.454 -21.441 5.997 1.00 0.00 C ATOM 519 CG GLU A 34 -5.613 -21.453 7.509 1.00 0.00 C ATOM 520 CD GLU A 34 -6.330 -22.692 8.011 1.00 0.00 C ATOM 521 OE1 GLU A 34 -7.578 -22.688 8.034 1.00 0.00 O ATOM 522 OE2 GLU A 34 -5.642 -23.666 8.383 1.00 0.00 O ATOM 0 H GLU A 34 -6.212 -19.104 6.280 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.654 -20.267 5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.442 -21.433 5.537 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.965 -22.364 5.685 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.629 -21.394 7.974 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.166 -20.567 7.819 1.00 0.00 H new ATOM 529 N ASP A 35 -5.312 -19.575 3.231 1.00 0.00 N ATOM 530 CA ASP A 35 -5.271 -19.587 1.772 1.00 0.00 C ATOM 531 C ASP A 35 -4.091 -18.772 1.250 1.00 0.00 C ATOM 532 O ASP A 35 -3.513 -17.962 1.974 1.00 0.00 O ATOM 533 CB ASP A 35 -6.579 -19.043 1.196 1.00 0.00 C ATOM 534 CG ASP A 35 -7.783 -19.860 1.625 1.00 0.00 C ATOM 535 OD1 ASP A 35 -8.333 -19.581 2.712 1.00 0.00 O ATOM 536 OD2 ASP A 35 -8.178 -20.775 0.873 1.00 0.00 O ATOM 0 H ASP A 35 -5.997 -18.932 3.629 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.144 -20.620 1.449 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.712 -18.010 1.516 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.518 -19.034 0.108 1.00 0.00 H new ATOM 541 N TRP A 36 -3.744 -18.991 -0.015 1.00 0.00 N ATOM 542 CA TRP A 36 -2.630 -18.286 -0.642 1.00 0.00 C ATOM 543 C TRP A 36 -3.137 -17.205 -1.589 1.00 0.00 C ATOM 544 O TRP A 36 -2.633 -16.082 -1.599 1.00 0.00 O ATOM 545 CB TRP A 36 -1.745 -19.272 -1.410 1.00 0.00 C ATOM 546 CG TRP A 36 -1.499 -20.554 -0.673 1.00 0.00 C ATOM 547 CD1 TRP A 36 -1.259 -20.695 0.663 1.00 0.00 C ATOM 548 CD2 TRP A 36 -1.464 -21.873 -1.229 1.00 0.00 C ATOM 549 NE1 TRP A 36 -1.081 -22.022 0.971 1.00 0.00 N ATOM 550 CE2 TRP A 36 -1.201 -22.764 -0.172 1.00 0.00 C ATOM 551 CE3 TRP A 36 -1.632 -22.388 -2.517 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -1.102 -24.139 -0.363 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -1.533 -23.754 -2.706 1.00 0.00 C ATOM 554 CH2 TRP A 36 -1.270 -24.615 -1.633 1.00 0.00 C ATOM 0 H TRP A 36 -4.220 -19.653 -0.628 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.043 -17.812 0.145 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.213 -19.497 -2.369 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.788 -18.797 -1.626 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.215 -19.883 1.374 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.890 -22.394 1.901 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.835 -21.731 -3.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -0.900 -24.806 0.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.661 -24.164 -3.697 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.198 -25.677 -1.813 1.00 0.00 H new ATOM 565 N ARG A 37 -4.138 -17.560 -2.385 1.00 0.00 N ATOM 566 CA ARG A 37 -4.724 -16.637 -3.348 1.00 0.00 C ATOM 567 C ARG A 37 -5.279 -15.390 -2.667 1.00 0.00 C ATOM 568 O ARG A 37 -4.875 -14.270 -2.979 1.00 0.00 O ATOM 569 CB ARG A 37 -5.832 -17.332 -4.139 1.00 0.00 C ATOM 570 CG ARG A 37 -5.349 -18.525 -4.948 1.00 0.00 C ATOM 571 CD ARG A 37 -6.466 -19.113 -5.796 1.00 0.00 C ATOM 572 NE ARG A 37 -7.065 -18.116 -6.678 1.00 0.00 N ATOM 573 CZ ARG A 37 -6.683 -17.920 -7.936 1.00 0.00 C ATOM 574 NH1 ARG A 37 -5.703 -18.648 -8.457 1.00 0.00 N ATOM 575 NH2 ARG A 37 -7.279 -16.995 -8.674 1.00 0.00 N ATOM 0 H ARG A 37 -4.563 -18.487 -2.382 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.932 -16.325 -4.029 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.607 -17.663 -3.448 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.293 -16.610 -4.813 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.524 -18.219 -5.592 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.961 -19.289 -4.275 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.073 -19.936 -6.393 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.235 -19.530 -5.145 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.819 -17.537 -6.308 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.241 -19.360 -7.892 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.412 -18.495 -9.423 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.032 -16.433 -8.277 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.985 -16.845 -9.639 1.00 0.00 H new ATOM 589 N ILE A 38 -6.212 -15.589 -1.741 1.00 0.00 N ATOM 590 CA ILE A 38 -6.829 -14.477 -1.023 1.00 0.00 C ATOM 591 C ILE A 38 -5.778 -13.527 -0.453 1.00 0.00 C ATOM 592 O ILE A 38 -5.945 -12.308 -0.495 1.00 0.00 O ATOM 593 CB ILE A 38 -7.732 -14.979 0.120 1.00 0.00 C ATOM 594 CG1 ILE A 38 -8.806 -15.921 -0.430 1.00 0.00 C ATOM 595 CG2 ILE A 38 -8.371 -13.805 0.851 1.00 0.00 C ATOM 596 CD1 ILE A 38 -9.567 -16.665 0.645 1.00 0.00 C ATOM 0 H ILE A 38 -6.558 -16.509 -1.470 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.438 -13.937 -1.747 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.119 -15.531 0.832 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.511 -15.345 -1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.336 -16.644 -1.097 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.005 -14.179 1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.591 -13.169 1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.975 -13.226 0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.311 -17.313 0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.873 -17.269 1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.066 -15.950 1.299 1.00 0.00 H new ATOM 608 N ARG A 39 -4.696 -14.090 0.079 1.00 0.00 N ATOM 609 CA ARG A 39 -3.622 -13.286 0.653 1.00 0.00 C ATOM 610 C ARG A 39 -2.946 -12.433 -0.416 1.00 0.00 C ATOM 611 O ARG A 39 -2.607 -11.275 -0.174 1.00 0.00 O ATOM 612 CB ARG A 39 -2.587 -14.183 1.332 1.00 0.00 C ATOM 613 CG ARG A 39 -1.513 -13.412 2.082 1.00 0.00 C ATOM 614 CD ARG A 39 -0.506 -14.346 2.731 1.00 0.00 C ATOM 615 NE ARG A 39 -0.042 -15.381 1.813 1.00 0.00 N ATOM 616 CZ ARG A 39 0.428 -16.560 2.209 1.00 0.00 C ATOM 617 NH1 ARG A 39 0.507 -16.845 3.502 1.00 0.00 N ATOM 618 NH2 ARG A 39 0.820 -17.456 1.313 1.00 0.00 N ATOM 0 H ARG A 39 -4.540 -15.097 0.124 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.062 -12.623 1.398 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.097 -14.850 2.028 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.112 -14.811 0.578 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.998 -12.742 1.394 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.978 -12.789 2.846 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.347 -13.768 3.085 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.958 -14.814 3.605 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.080 -15.189 0.812 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.207 -16.159 4.195 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.868 -17.750 3.804 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.761 -17.241 0.318 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.180 -18.360 1.619 1.00 0.00 H new ATOM 632 N GLY A 40 -2.748 -13.014 -1.595 1.00 0.00 N ATOM 633 CA GLY A 40 -2.113 -12.289 -2.682 1.00 0.00 C ATOM 634 C GLY A 40 -2.886 -11.045 -3.072 1.00 0.00 C ATOM 635 O GLY A 40 -2.355 -9.936 -3.021 1.00 0.00 O ATOM 0 H GLY A 40 -3.015 -13.973 -1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.102 -12.008 -2.387 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.022 -12.944 -3.548 1.00 0.00 H new ATOM 639 N ALA A 41 -4.144 -11.232 -3.467 1.00 0.00 N ATOM 640 CA ALA A 41 -5.002 -10.123 -3.863 1.00 0.00 C ATOM 641 C ALA A 41 -4.977 -9.008 -2.822 1.00 0.00 C ATOM 642 O ALA A 41 -5.167 -7.837 -3.151 1.00 0.00 O ATOM 643 CB ALA A 41 -6.426 -10.611 -4.078 1.00 0.00 C ATOM 0 H ALA A 41 -4.591 -12.147 -3.521 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.620 -9.718 -4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.057 -9.773 -4.374 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.437 -11.368 -4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.806 -11.043 -3.152 1.00 0.00 H new ATOM 649 N ALA A 42 -4.743 -9.381 -1.566 1.00 0.00 N ATOM 650 CA ALA A 42 -4.688 -8.410 -0.483 1.00 0.00 C ATOM 651 C ALA A 42 -3.598 -7.377 -0.740 1.00 0.00 C ATOM 652 O ALA A 42 -3.865 -6.176 -0.777 1.00 0.00 O ATOM 653 CB ALA A 42 -4.454 -9.111 0.848 1.00 0.00 C ATOM 0 H ALA A 42 -4.589 -10.347 -1.276 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.646 -7.892 -0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.415 -8.371 1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.268 -9.810 1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.510 -9.655 0.812 1.00 0.00 H new ATOM 659 N ALA A 43 -2.371 -7.855 -0.927 1.00 0.00 N ATOM 660 CA ALA A 43 -1.240 -6.974 -1.194 1.00 0.00 C ATOM 661 C ALA A 43 -1.427 -6.248 -2.521 1.00 0.00 C ATOM 662 O ALA A 43 -0.990 -5.109 -2.688 1.00 0.00 O ATOM 663 CB ALA A 43 0.057 -7.763 -1.207 1.00 0.00 C ATOM 0 H ALA A 43 -2.135 -8.847 -0.898 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.190 -6.232 -0.397 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.890 -7.090 -1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.202 -8.241 -0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.011 -8.526 -1.985 1.00 0.00 H new ATOM 669 N TRP A 44 -2.081 -6.922 -3.465 1.00 0.00 N ATOM 670 CA TRP A 44 -2.336 -6.355 -4.783 1.00 0.00 C ATOM 671 C TRP A 44 -3.074 -5.022 -4.671 1.00 0.00 C ATOM 672 O TRP A 44 -2.891 -4.127 -5.495 1.00 0.00 O ATOM 673 CB TRP A 44 -3.136 -7.341 -5.636 1.00 0.00 C ATOM 674 CG TRP A 44 -2.260 -8.196 -6.494 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.677 -9.378 -6.145 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.858 -7.933 -7.844 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.926 -9.859 -7.189 1.00 0.00 N ATOM 678 CE2 TRP A 44 -1.025 -8.994 -8.245 1.00 0.00 C ATOM 679 CE3 TRP A 44 -2.120 -6.902 -8.751 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.452 -9.054 -9.512 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.552 -6.964 -10.011 1.00 0.00 C ATOM 682 CH2 TRP A 44 -0.726 -8.033 -10.381 1.00 0.00 C ATOM 0 H TRP A 44 -2.445 -7.866 -3.338 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.377 -6.169 -5.268 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.734 -7.978 -4.985 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.831 -6.789 -6.268 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.789 -9.865 -5.187 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.382 -10.722 -7.179 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.754 -6.073 -8.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.186 -9.877 -9.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.749 -6.175 -10.721 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.297 -8.052 -11.372 1.00 0.00 H new ATOM 693 N ILE A 45 -3.908 -4.903 -3.642 1.00 0.00 N ATOM 694 CA ILE A 45 -4.672 -3.683 -3.403 1.00 0.00 C ATOM 695 C ILE A 45 -3.987 -2.818 -2.348 1.00 0.00 C ATOM 696 O ILE A 45 -4.171 -1.603 -2.304 1.00 0.00 O ATOM 697 CB ILE A 45 -6.111 -4.006 -2.945 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.821 -4.874 -3.990 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.896 -2.727 -2.684 1.00 0.00 C ATOM 700 CD1 ILE A 45 -6.951 -4.216 -5.350 1.00 0.00 C ATOM 0 H ILE A 45 -4.072 -5.641 -2.957 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.718 -3.136 -4.345 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.057 -4.565 -2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.275 -5.811 -4.101 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.816 -5.126 -3.623 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.906 -2.979 -2.363 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.401 -2.149 -1.904 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.943 -2.136 -3.599 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.464 -4.892 -6.034 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.524 -3.293 -5.255 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.959 -3.988 -5.740 1.00 0.00 H new ATOM 712 N ILE A 46 -3.192 -3.465 -1.500 1.00 0.00 N ATOM 713 CA ILE A 46 -2.468 -2.778 -0.436 1.00 0.00 C ATOM 714 C ILE A 46 -1.601 -1.646 -0.984 1.00 0.00 C ATOM 715 O ILE A 46 -1.580 -0.547 -0.428 1.00 0.00 O ATOM 716 CB ILE A 46 -1.586 -3.774 0.355 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.420 -4.505 1.414 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.399 -3.074 0.998 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.966 -3.600 2.499 1.00 0.00 C ATOM 0 H ILE A 46 -3.033 -4.472 -1.531 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.212 -2.345 0.233 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.196 -4.508 -0.350 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.252 -5.009 0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.806 -5.279 1.875 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.200 -3.802 1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.212 -2.610 0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.757 -2.308 1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.544 -4.191 3.209 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.139 -3.115 3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.608 -2.841 2.051 1.00 0.00 H new ATOM 731 N GLY A 47 -0.889 -1.919 -2.072 1.00 0.00 N ATOM 732 CA GLY A 47 -0.022 -0.915 -2.665 1.00 0.00 C ATOM 733 C GLY A 47 -0.766 0.327 -3.114 1.00 0.00 C ATOM 734 O GLY A 47 -0.172 1.398 -3.240 1.00 0.00 O ATOM 0 H GLY A 47 -0.896 -2.818 -2.555 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.742 -0.631 -1.941 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.495 -1.350 -3.520 1.00 0.00 H new ATOM 738 N ASN A 48 -2.065 0.192 -3.358 1.00 0.00 N ATOM 739 CA ASN A 48 -2.873 1.318 -3.798 1.00 0.00 C ATOM 740 C ASN A 48 -3.029 2.357 -2.694 1.00 0.00 C ATOM 741 O ASN A 48 -2.973 3.559 -2.954 1.00 0.00 O ATOM 742 CB ASN A 48 -4.247 0.835 -4.257 1.00 0.00 C ATOM 743 CG ASN A 48 -4.191 0.107 -5.586 1.00 0.00 C ATOM 744 OD1 ASN A 48 -4.019 -1.209 -5.533 1.00 0.00 O flip ATOM 745 ND2 ASN A 48 -4.302 0.720 -6.649 1.00 0.00 N flip ATOM 0 H ASN A 48 -2.578 -0.684 -3.258 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.358 1.789 -4.635 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.667 0.172 -3.501 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.919 1.689 -4.342 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.433 1.732 -6.643 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.263 0.216 -7.535 1.00 0.00 H new ATOM 752 N PHE A 49 -3.224 1.895 -1.463 1.00 0.00 N ATOM 753 CA PHE A 49 -3.387 2.798 -0.335 1.00 0.00 C ATOM 754 C PHE A 49 -2.064 2.973 0.403 1.00 0.00 C ATOM 755 O PHE A 49 -1.555 2.033 1.012 1.00 0.00 O ATOM 756 CB PHE A 49 -4.459 2.266 0.621 1.00 0.00 C ATOM 757 CG PHE A 49 -5.684 1.725 -0.069 1.00 0.00 C ATOM 758 CD1 PHE A 49 -6.249 2.393 -1.146 1.00 0.00 C ATOM 759 CD2 PHE A 49 -6.269 0.542 0.361 1.00 0.00 C ATOM 760 CE1 PHE A 49 -7.372 1.892 -1.778 1.00 0.00 C ATOM 761 CE2 PHE A 49 -7.390 0.038 -0.271 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.941 0.713 -1.341 1.00 0.00 C ATOM 0 H PHE A 49 -3.272 0.905 -1.224 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.705 3.769 -0.713 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -4.024 1.478 1.236 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.759 3.068 1.296 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.807 3.315 -1.494 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.843 0.009 1.199 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.804 2.423 -2.613 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.835 -0.884 0.073 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.816 0.319 -1.836 1.00 0.00 H new ATOM 772 N GLN A 50 -1.507 4.177 0.328 1.00 0.00 N ATOM 773 CA GLN A 50 -0.243 4.483 0.992 1.00 0.00 C ATOM 774 C GLN A 50 -0.455 4.693 2.489 1.00 0.00 C ATOM 775 O GLN A 50 -0.136 5.751 3.033 1.00 0.00 O ATOM 776 CB GLN A 50 0.400 5.730 0.374 1.00 0.00 C ATOM 777 CG GLN A 50 1.213 5.443 -0.879 1.00 0.00 C ATOM 778 CD GLN A 50 0.444 5.695 -2.165 1.00 0.00 C ATOM 779 OE1 GLN A 50 -0.870 5.518 -2.124 1.00 0.00 O flip ATOM 780 NE2 GLN A 50 1.031 6.045 -3.188 1.00 0.00 N flip ATOM 0 H GLN A 50 -1.911 4.959 -0.187 1.00 0.00 H new ATOM 0 HA GLN A 50 0.427 3.635 0.851 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.383 6.449 0.132 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.046 6.200 1.116 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.109 6.063 -0.872 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.544 4.405 -0.859 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.043 6.170 -3.178 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.505 6.210 -4.046 1.00 0.00 H new ATOM 789 N ASP A 51 -0.998 3.673 3.146 1.00 0.00 N ATOM 790 CA ASP A 51 -1.268 3.734 4.575 1.00 0.00 C ATOM 791 C ASP A 51 -0.212 2.956 5.365 1.00 0.00 C ATOM 792 O ASP A 51 0.631 2.272 4.783 1.00 0.00 O ATOM 793 CB ASP A 51 -2.668 3.185 4.852 1.00 0.00 C ATOM 794 CG ASP A 51 -3.109 3.394 6.287 1.00 0.00 C ATOM 795 OD1 ASP A 51 -2.827 2.519 7.129 1.00 0.00 O ATOM 796 OD2 ASP A 51 -3.739 4.435 6.568 1.00 0.00 O ATOM 0 H ASP A 51 -1.260 2.790 2.707 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.222 4.773 4.900 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.381 3.668 4.184 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.687 2.120 4.623 1.00 0.00 H new ATOM 801 N GLU A 52 -0.265 3.063 6.692 1.00 0.00 N ATOM 802 CA GLU A 52 0.694 2.383 7.561 1.00 0.00 C ATOM 803 C GLU A 52 0.546 0.862 7.493 1.00 0.00 C ATOM 804 O GLU A 52 1.539 0.142 7.393 1.00 0.00 O ATOM 805 CB GLU A 52 0.533 2.862 9.006 1.00 0.00 C ATOM 806 CG GLU A 52 -0.880 2.721 9.545 1.00 0.00 C ATOM 807 CD GLU A 52 -1.020 3.247 10.961 1.00 0.00 C ATOM 808 OE1 GLU A 52 -1.205 4.472 11.123 1.00 0.00 O ATOM 809 OE2 GLU A 52 -0.944 2.436 11.907 1.00 0.00 O ATOM 0 H GLU A 52 -0.963 3.615 7.189 1.00 0.00 H new ATOM 0 HA GLU A 52 1.693 2.635 7.206 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.213 2.298 9.644 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.833 3.908 9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.569 3.257 8.892 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.171 1.671 9.521 1.00 0.00 H new ATOM 816 N ARG A 53 -0.690 0.374 7.554 1.00 0.00 N ATOM 817 CA ARG A 53 -0.941 -1.066 7.495 1.00 0.00 C ATOM 818 C ARG A 53 -0.552 -1.637 6.133 1.00 0.00 C ATOM 819 O ARG A 53 -0.580 -2.847 5.935 1.00 0.00 O ATOM 820 CB ARG A 53 -2.407 -1.416 7.810 1.00 0.00 C ATOM 821 CG ARG A 53 -3.320 -0.220 8.030 1.00 0.00 C ATOM 822 CD ARG A 53 -4.650 -0.636 8.637 1.00 0.00 C ATOM 823 NE ARG A 53 -5.511 0.514 8.910 1.00 0.00 N ATOM 824 CZ ARG A 53 -6.176 0.686 10.049 1.00 0.00 C ATOM 825 NH1 ARG A 53 -6.075 -0.206 11.026 1.00 0.00 N ATOM 826 NH2 ARG A 53 -6.942 1.756 10.214 1.00 0.00 N ATOM 0 H ARG A 53 -1.528 0.948 7.644 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.316 -1.521 8.264 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.806 -2.013 6.990 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.432 -2.042 8.702 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.828 0.498 8.687 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.495 0.285 7.080 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.161 -1.318 7.958 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.471 -1.183 9.563 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.607 1.225 8.185 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.485 -1.029 10.906 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.587 -0.068 11.897 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.021 2.447 9.468 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.452 1.888 11.087 1.00 0.00 H new ATOM 840 N ALA A 54 -0.199 -0.760 5.196 1.00 0.00 N ATOM 841 CA ALA A 54 0.167 -1.185 3.848 1.00 0.00 C ATOM 842 C ALA A 54 1.674 -1.324 3.710 1.00 0.00 C ATOM 843 O ALA A 54 2.195 -1.515 2.612 1.00 0.00 O ATOM 844 CB ALA A 54 -0.353 -0.186 2.825 1.00 0.00 C ATOM 0 H ALA A 54 -0.159 0.248 5.346 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.287 -2.159 3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.074 -0.513 1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.439 -0.123 2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.081 0.794 3.021 1.00 0.00 H new ATOM 850 N VAL A 55 2.368 -1.228 4.833 1.00 0.00 N ATOM 851 CA VAL A 55 3.818 -1.311 4.843 1.00 0.00 C ATOM 852 C VAL A 55 4.327 -2.738 5.066 1.00 0.00 C ATOM 853 O VAL A 55 5.048 -3.284 4.231 1.00 0.00 O ATOM 854 CB VAL A 55 4.397 -0.384 5.924 1.00 0.00 C ATOM 855 CG1 VAL A 55 5.909 -0.398 5.880 1.00 0.00 C ATOM 856 CG2 VAL A 55 3.869 1.032 5.750 1.00 0.00 C ATOM 0 H VAL A 55 1.947 -1.092 5.752 1.00 0.00 H new ATOM 0 HA VAL A 55 4.157 -0.993 3.857 1.00 0.00 H new ATOM 0 HB VAL A 55 4.079 -0.751 6.900 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.302 0.264 6.652 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.269 -1.412 6.054 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.248 -0.056 4.902 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.289 1.675 6.524 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.157 1.410 4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.782 1.028 5.833 1.00 0.00 H new ATOM 866 N GLU A 56 3.951 -3.335 6.194 1.00 0.00 N ATOM 867 CA GLU A 56 4.397 -4.686 6.539 1.00 0.00 C ATOM 868 C GLU A 56 3.969 -5.743 5.511 1.00 0.00 C ATOM 869 O GLU A 56 4.799 -6.540 5.073 1.00 0.00 O ATOM 870 CB GLU A 56 3.895 -5.079 7.929 1.00 0.00 C ATOM 871 CG GLU A 56 4.296 -6.487 8.336 1.00 0.00 C ATOM 872 CD GLU A 56 4.139 -6.731 9.824 1.00 0.00 C ATOM 873 OE1 GLU A 56 5.079 -6.410 10.581 1.00 0.00 O ATOM 874 OE2 GLU A 56 3.075 -7.242 10.234 1.00 0.00 O ATOM 0 H GLU A 56 3.338 -2.906 6.887 1.00 0.00 H new ATOM 0 HA GLU A 56 5.487 -4.659 6.535 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.284 -4.372 8.662 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.808 -4.997 7.952 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.688 -7.207 7.788 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.333 -6.662 8.050 1.00 0.00 H new ATOM 881 N PRO A 57 2.673 -5.781 5.118 1.00 0.00 N ATOM 882 CA PRO A 57 2.165 -6.765 4.157 1.00 0.00 C ATOM 883 C PRO A 57 3.140 -7.066 3.028 1.00 0.00 C ATOM 884 O PRO A 57 3.356 -8.224 2.678 1.00 0.00 O ATOM 885 CB PRO A 57 0.918 -6.087 3.612 1.00 0.00 C ATOM 886 CG PRO A 57 0.397 -5.302 4.762 1.00 0.00 C ATOM 887 CD PRO A 57 1.598 -4.871 5.567 1.00 0.00 C ATOM 0 HA PRO A 57 1.989 -7.733 4.626 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.153 -5.443 2.764 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.187 -6.817 3.265 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.169 -4.437 4.416 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.280 -5.904 5.368 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.852 -3.828 5.378 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.416 -4.965 6.638 1.00 0.00 H new ATOM 895 N LEU A 58 3.730 -6.020 2.469 1.00 0.00 N ATOM 896 CA LEU A 58 4.672 -6.178 1.371 1.00 0.00 C ATOM 897 C LEU A 58 5.895 -6.980 1.801 1.00 0.00 C ATOM 898 O LEU A 58 6.237 -7.985 1.181 1.00 0.00 O ATOM 899 CB LEU A 58 5.104 -4.806 0.843 1.00 0.00 C ATOM 900 CG LEU A 58 3.988 -3.760 0.746 1.00 0.00 C ATOM 901 CD1 LEU A 58 4.472 -2.527 -0.004 1.00 0.00 C ATOM 902 CD2 LEU A 58 2.755 -4.346 0.073 1.00 0.00 C ATOM 0 H LEU A 58 3.574 -5.054 2.757 1.00 0.00 H new ATOM 0 HA LEU A 58 4.169 -6.728 0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.889 -4.416 1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.543 -4.937 -0.146 1.00 0.00 H new ATOM 0 HG LEU A 58 3.714 -3.461 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.665 -1.796 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.320 -2.090 0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.778 -2.810 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.976 -3.586 0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.013 -4.679 -0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.392 -5.194 0.654 1.00 0.00 H new ATOM 914 N ILE A 59 6.541 -6.534 2.873 1.00 0.00 N ATOM 915 CA ILE A 59 7.740 -7.189 3.387 1.00 0.00 C ATOM 916 C ILE A 59 7.555 -8.695 3.574 1.00 0.00 C ATOM 917 O ILE A 59 8.335 -9.492 3.053 1.00 0.00 O ATOM 918 CB ILE A 59 8.179 -6.571 4.731 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.484 -5.081 4.557 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.394 -7.306 5.283 1.00 0.00 C ATOM 921 CD1 ILE A 59 8.786 -4.365 5.857 1.00 0.00 C ATOM 0 H ILE A 59 6.252 -5.715 3.407 1.00 0.00 H new ATOM 0 HA ILE A 59 8.512 -7.030 2.634 1.00 0.00 H new ATOM 0 HB ILE A 59 7.362 -6.675 5.445 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.335 -4.970 3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.633 -4.599 4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.691 -6.858 6.231 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.144 -8.355 5.440 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.218 -7.232 4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.992 -3.314 5.654 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.928 -4.444 6.524 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.656 -4.821 6.330 1.00 0.00 H new ATOM 933 N LYS A 60 6.522 -9.080 4.314 1.00 0.00 N ATOM 934 CA LYS A 60 6.271 -10.490 4.598 1.00 0.00 C ATOM 935 C LYS A 60 5.805 -11.276 3.369 1.00 0.00 C ATOM 936 O LYS A 60 5.978 -12.494 3.311 1.00 0.00 O ATOM 937 CB LYS A 60 5.253 -10.625 5.735 1.00 0.00 C ATOM 938 CG LYS A 60 3.994 -9.789 5.549 1.00 0.00 C ATOM 939 CD LYS A 60 2.935 -10.527 4.742 1.00 0.00 C ATOM 940 CE LYS A 60 2.421 -11.753 5.483 1.00 0.00 C ATOM 941 NZ LYS A 60 1.339 -12.446 4.732 1.00 0.00 N ATOM 0 H LYS A 60 5.846 -8.438 4.728 1.00 0.00 H new ATOM 0 HA LYS A 60 7.223 -10.925 4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.969 -11.673 5.830 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.731 -10.338 6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.587 -9.524 6.525 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.249 -8.856 5.046 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.104 -9.854 4.530 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.353 -10.830 3.782 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.245 -12.446 5.653 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.048 -11.454 6.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.751 -12.992 5.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.749 -11.742 4.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.760 -13.089 4.032 1.00 0.00 H new ATOM 955 N LEU A 61 5.219 -10.592 2.391 1.00 0.00 N ATOM 956 CA LEU A 61 4.718 -11.269 1.192 1.00 0.00 C ATOM 957 C LEU A 61 5.770 -11.358 0.084 1.00 0.00 C ATOM 958 O LEU A 61 5.653 -12.186 -0.821 1.00 0.00 O ATOM 959 CB LEU A 61 3.468 -10.564 0.668 1.00 0.00 C ATOM 960 CG LEU A 61 2.333 -11.496 0.247 1.00 0.00 C ATOM 961 CD1 LEU A 61 1.815 -12.280 1.441 1.00 0.00 C ATOM 962 CD2 LEU A 61 1.206 -10.710 -0.400 1.00 0.00 C ATOM 0 H LEU A 61 5.079 -9.582 2.400 1.00 0.00 H new ATOM 0 HA LEU A 61 4.469 -12.289 1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.098 -9.890 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.748 -9.947 -0.186 1.00 0.00 H new ATOM 0 HG LEU A 61 2.725 -12.201 -0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.007 -12.938 1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.624 -12.877 1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.442 -11.588 2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.408 -11.392 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.817 -9.980 0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.583 -10.193 -1.282 1.00 0.00 H new ATOM 974 N LEU A 62 6.789 -10.509 0.149 1.00 0.00 N ATOM 975 CA LEU A 62 7.849 -10.506 -0.858 1.00 0.00 C ATOM 976 C LEU A 62 8.700 -11.761 -0.744 1.00 0.00 C ATOM 977 O LEU A 62 9.486 -12.075 -1.636 1.00 0.00 O ATOM 978 CB LEU A 62 8.723 -9.262 -0.692 1.00 0.00 C ATOM 979 CG LEU A 62 8.081 -7.957 -1.163 1.00 0.00 C ATOM 980 CD1 LEU A 62 8.531 -6.794 -0.292 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.426 -7.699 -2.620 1.00 0.00 C ATOM 0 H LEU A 62 6.906 -9.814 0.886 1.00 0.00 H new ATOM 0 HA LEU A 62 7.389 -10.490 -1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.989 -9.160 0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.652 -9.412 -1.242 1.00 0.00 H new ATOM 0 HG LEU A 62 6.999 -8.050 -1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.063 -5.874 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.238 -6.979 0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.615 -6.695 -0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.963 -6.767 -2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.508 -7.624 -2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.055 -8.521 -3.233 1.00 0.00 H new ATOM 993 N GLU A 63 8.527 -12.482 0.354 1.00 0.00 N ATOM 994 CA GLU A 63 9.280 -13.704 0.588 1.00 0.00 C ATOM 995 C GLU A 63 8.365 -14.925 0.552 1.00 0.00 C ATOM 996 O GLU A 63 8.810 -16.052 0.765 1.00 0.00 O ATOM 997 CB GLU A 63 10.001 -13.619 1.932 1.00 0.00 C ATOM 998 CG GLU A 63 9.084 -13.277 3.095 1.00 0.00 C ATOM 999 CD GLU A 63 9.804 -13.290 4.429 1.00 0.00 C ATOM 1000 OE1 GLU A 63 10.550 -12.328 4.710 1.00 0.00 O ATOM 1001 OE2 GLU A 63 9.622 -14.263 5.192 1.00 0.00 O ATOM 0 H GLU A 63 7.871 -12.241 1.097 1.00 0.00 H new ATOM 0 HA GLU A 63 10.018 -13.814 -0.207 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.489 -14.572 2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.787 -12.866 1.866 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.648 -12.291 2.931 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.260 -13.989 3.124 1.00 0.00 H new ATOM 1008 N ASP A 64 7.081 -14.691 0.286 1.00 0.00 N ATOM 1009 CA ASP A 64 6.101 -15.772 0.217 1.00 0.00 C ATOM 1010 C ASP A 64 6.464 -16.756 -0.887 1.00 0.00 C ATOM 1011 O ASP A 64 6.173 -17.950 -0.798 1.00 0.00 O ATOM 1012 CB ASP A 64 4.700 -15.203 -0.015 1.00 0.00 C ATOM 1013 CG ASP A 64 3.610 -16.142 0.460 1.00 0.00 C ATOM 1014 OD1 ASP A 64 3.485 -16.333 1.689 1.00 0.00 O ATOM 1015 OD2 ASP A 64 2.883 -16.689 -0.393 1.00 0.00 O ATOM 0 H ASP A 64 6.696 -13.762 0.115 1.00 0.00 H new ATOM 0 HA ASP A 64 6.108 -16.306 1.167 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.607 -14.250 0.505 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.564 -15.001 -1.077 1.00 0.00 H new ATOM 1020 N ASP A 65 7.104 -16.232 -1.918 1.00 0.00 N ATOM 1021 CA ASP A 65 7.538 -17.028 -3.066 1.00 0.00 C ATOM 1022 C ASP A 65 6.422 -17.923 -3.606 1.00 0.00 C ATOM 1023 O ASP A 65 6.694 -18.970 -4.195 1.00 0.00 O ATOM 1024 CB ASP A 65 8.747 -17.885 -2.687 1.00 0.00 C ATOM 1025 CG ASP A 65 9.981 -17.054 -2.398 1.00 0.00 C ATOM 1026 OD1 ASP A 65 10.598 -16.551 -3.361 1.00 0.00 O ATOM 1027 OD2 ASP A 65 10.332 -16.905 -1.209 1.00 0.00 O ATOM 0 H ASP A 65 7.340 -15.242 -1.988 1.00 0.00 H new ATOM 0 HA ASP A 65 7.813 -16.329 -3.856 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.503 -18.484 -1.810 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.963 -18.581 -3.498 1.00 0.00 H new ATOM 1032 N SER A 66 5.171 -17.510 -3.420 1.00 0.00 N ATOM 1033 CA SER A 66 4.037 -18.295 -3.904 1.00 0.00 C ATOM 1034 C SER A 66 3.723 -17.949 -5.356 1.00 0.00 C ATOM 1035 O SER A 66 2.998 -18.678 -6.035 1.00 0.00 O ATOM 1036 CB SER A 66 2.805 -18.056 -3.030 1.00 0.00 C ATOM 1037 OG SER A 66 1.711 -18.844 -3.466 1.00 0.00 O ATOM 0 H SER A 66 4.917 -16.645 -2.943 1.00 0.00 H new ATOM 0 HA SER A 66 4.307 -19.350 -3.848 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.039 -18.295 -1.993 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.533 -17.001 -3.060 1.00 0.00 H new ATOM 0 HG SER A 66 1.808 -19.037 -4.422 1.00 0.00 H new ATOM 1043 N GLY A 67 4.274 -16.835 -5.823 1.00 0.00 N ATOM 1044 CA GLY A 67 4.050 -16.407 -7.192 1.00 0.00 C ATOM 1045 C GLY A 67 3.349 -15.068 -7.273 1.00 0.00 C ATOM 1046 O GLY A 67 3.940 -14.039 -6.950 1.00 0.00 O ATOM 0 H GLY A 67 4.874 -16.218 -5.276 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.007 -16.345 -7.711 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.454 -17.158 -7.711 1.00 0.00 H new ATOM 1050 N PHE A 68 2.089 -15.069 -7.710 1.00 0.00 N ATOM 1051 CA PHE A 68 1.328 -13.830 -7.816 1.00 0.00 C ATOM 1052 C PHE A 68 1.238 -13.161 -6.450 1.00 0.00 C ATOM 1053 O PHE A 68 1.072 -11.946 -6.350 1.00 0.00 O ATOM 1054 CB PHE A 68 -0.067 -14.095 -8.404 1.00 0.00 C ATOM 1055 CG PHE A 68 -1.204 -13.993 -7.420 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -1.794 -12.766 -7.142 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -1.694 -15.124 -6.787 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -2.845 -12.673 -6.250 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -2.745 -15.035 -5.898 1.00 0.00 C ATOM 1060 CZ PHE A 68 -3.321 -13.810 -5.628 1.00 0.00 C ATOM 0 H PHE A 68 1.580 -15.907 -7.993 1.00 0.00 H new ATOM 0 HA PHE A 68 1.844 -13.153 -8.497 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.243 -13.388 -9.214 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.076 -15.092 -8.844 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.427 -11.875 -7.629 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.248 -16.086 -6.992 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.293 -11.713 -6.040 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.118 -15.925 -5.413 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.143 -13.741 -4.931 1.00 0.00 H new ATOM 1070 N VAL A 69 1.347 -13.969 -5.402 1.00 0.00 N ATOM 1071 CA VAL A 69 1.309 -13.461 -4.040 1.00 0.00 C ATOM 1072 C VAL A 69 2.591 -12.697 -3.743 1.00 0.00 C ATOM 1073 O VAL A 69 2.596 -11.730 -2.981 1.00 0.00 O ATOM 1074 CB VAL A 69 1.146 -14.603 -3.018 1.00 0.00 C ATOM 1075 CG1 VAL A 69 0.997 -14.048 -1.610 1.00 0.00 C ATOM 1076 CG2 VAL A 69 -0.041 -15.481 -3.382 1.00 0.00 C ATOM 0 H VAL A 69 1.463 -14.980 -5.472 1.00 0.00 H new ATOM 0 HA VAL A 69 0.449 -12.798 -3.952 1.00 0.00 H new ATOM 0 HB VAL A 69 2.045 -15.218 -3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.883 -14.871 -0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.883 -13.469 -1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.117 -13.406 -1.563 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.140 -16.282 -2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.950 -14.880 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.115 -15.912 -4.371 1.00 0.00 H new ATOM 1086 N ARG A 70 3.679 -13.146 -4.361 1.00 0.00 N ATOM 1087 CA ARG A 70 4.981 -12.517 -4.192 1.00 0.00 C ATOM 1088 C ARG A 70 5.083 -11.251 -5.040 1.00 0.00 C ATOM 1089 O ARG A 70 5.565 -10.217 -4.578 1.00 0.00 O ATOM 1090 CB ARG A 70 6.092 -13.496 -4.575 1.00 0.00 C ATOM 1091 CG ARG A 70 7.494 -12.936 -4.391 1.00 0.00 C ATOM 1092 CD ARG A 70 8.545 -13.888 -4.940 1.00 0.00 C ATOM 1093 NE ARG A 70 8.274 -14.260 -6.327 1.00 0.00 N ATOM 1094 CZ ARG A 70 8.757 -15.355 -6.907 1.00 0.00 C ATOM 1095 NH1 ARG A 70 9.534 -16.185 -6.222 1.00 0.00 N ATOM 1096 NH2 ARG A 70 8.460 -15.620 -8.172 1.00 0.00 N ATOM 0 H ARG A 70 3.682 -13.950 -4.988 1.00 0.00 H new ATOM 0 HA ARG A 70 5.096 -12.241 -3.144 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.990 -14.400 -3.974 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.962 -13.789 -5.617 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.573 -11.973 -4.896 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.680 -12.756 -3.332 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.527 -13.420 -4.875 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.578 -14.786 -4.323 1.00 0.00 H new ATOM 0 HE ARG A 70 7.680 -13.644 -6.882 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.762 -15.984 -5.248 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.903 -17.024 -6.669 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.862 -14.984 -8.699 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.830 -16.460 -8.618 1.00 0.00 H new ATOM 1110 N SER A 71 4.626 -11.350 -6.286 1.00 0.00 N ATOM 1111 CA SER A 71 4.659 -10.227 -7.218 1.00 0.00 C ATOM 1112 C SER A 71 3.719 -9.112 -6.780 1.00 0.00 C ATOM 1113 O SER A 71 4.060 -7.931 -6.865 1.00 0.00 O ATOM 1114 CB SER A 71 4.286 -10.698 -8.623 1.00 0.00 C ATOM 1115 OG SER A 71 4.425 -9.650 -9.566 1.00 0.00 O ATOM 0 H SER A 71 4.226 -12.204 -6.675 1.00 0.00 H new ATOM 0 HA SER A 71 5.674 -9.830 -7.226 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.921 -11.536 -8.910 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.258 -11.061 -8.627 1.00 0.00 H new ATOM 0 HG SER A 71 4.182 -9.977 -10.457 1.00 0.00 H new ATOM 1121 N GLY A 72 2.531 -9.492 -6.319 1.00 0.00 N ATOM 1122 CA GLY A 72 1.554 -8.513 -5.878 1.00 0.00 C ATOM 1123 C GLY A 72 2.132 -7.527 -4.889 1.00 0.00 C ATOM 1124 O GLY A 72 1.917 -6.321 -5.004 1.00 0.00 O ATOM 0 H GLY A 72 2.227 -10.463 -6.243 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.169 -7.973 -6.743 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.708 -9.028 -5.422 1.00 0.00 H new ATOM 1128 N ALA A 73 2.866 -8.042 -3.911 1.00 0.00 N ATOM 1129 CA ALA A 73 3.484 -7.199 -2.899 1.00 0.00 C ATOM 1130 C ALA A 73 4.647 -6.408 -3.482 1.00 0.00 C ATOM 1131 O ALA A 73 4.916 -5.285 -3.059 1.00 0.00 O ATOM 1132 CB ALA A 73 3.960 -8.045 -1.730 1.00 0.00 C ATOM 0 H ALA A 73 3.047 -9.039 -3.798 1.00 0.00 H new ATOM 0 HA ALA A 73 2.735 -6.491 -2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.421 -7.402 -0.980 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.111 -8.567 -1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.691 -8.773 -2.082 1.00 0.00 H new ATOM 1138 N ALA A 74 5.326 -6.996 -4.463 1.00 0.00 N ATOM 1139 CA ALA A 74 6.472 -6.355 -5.097 1.00 0.00 C ATOM 1140 C ALA A 74 6.090 -5.031 -5.748 1.00 0.00 C ATOM 1141 O ALA A 74 6.697 -3.995 -5.472 1.00 0.00 O ATOM 1142 CB ALA A 74 7.092 -7.287 -6.125 1.00 0.00 C ATOM 0 H ALA A 74 5.101 -7.918 -4.836 1.00 0.00 H new ATOM 0 HA ALA A 74 7.204 -6.141 -4.318 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.947 -6.797 -6.592 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.422 -8.202 -5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.353 -7.531 -6.888 1.00 0.00 H new ATOM 1148 N ARG A 75 5.086 -5.071 -6.617 1.00 0.00 N ATOM 1149 CA ARG A 75 4.630 -3.873 -7.313 1.00 0.00 C ATOM 1150 C ARG A 75 4.111 -2.827 -6.334 1.00 0.00 C ATOM 1151 O ARG A 75 4.161 -1.629 -6.612 1.00 0.00 O ATOM 1152 CB ARG A 75 3.539 -4.228 -8.324 1.00 0.00 C ATOM 1153 CG ARG A 75 2.453 -5.128 -7.760 1.00 0.00 C ATOM 1154 CD ARG A 75 1.369 -5.406 -8.789 1.00 0.00 C ATOM 1155 NE ARG A 75 1.922 -5.593 -10.129 1.00 0.00 N ATOM 1156 CZ ARG A 75 2.386 -6.753 -10.582 1.00 0.00 C ATOM 1157 NH1 ARG A 75 2.366 -7.829 -9.806 1.00 0.00 N ATOM 1158 NH2 ARG A 75 2.873 -6.837 -11.813 1.00 0.00 N ATOM 0 H ARG A 75 4.573 -5.919 -6.856 1.00 0.00 H new ATOM 0 HA ARG A 75 5.484 -3.450 -7.841 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.083 -3.309 -8.690 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.997 -4.720 -9.182 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.894 -6.069 -7.431 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.010 -4.659 -6.881 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.813 -6.297 -8.498 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.660 -4.578 -8.802 1.00 0.00 H new ATOM 0 HE ARG A 75 1.954 -4.786 -10.753 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.994 -7.768 -8.858 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.723 -8.718 -10.157 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.891 -6.011 -12.412 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.229 -7.727 -12.161 1.00 0.00 H new ATOM 1172 N SER A 76 3.619 -3.284 -5.187 1.00 0.00 N ATOM 1173 CA SER A 76 3.089 -2.382 -4.171 1.00 0.00 C ATOM 1174 C SER A 76 4.151 -1.385 -3.712 1.00 0.00 C ATOM 1175 O SER A 76 3.837 -0.242 -3.384 1.00 0.00 O ATOM 1176 CB SER A 76 2.562 -3.174 -2.978 1.00 0.00 C ATOM 1177 OG SER A 76 1.529 -4.061 -3.371 1.00 0.00 O ATOM 0 H SER A 76 3.576 -4.272 -4.938 1.00 0.00 H new ATOM 0 HA SER A 76 2.266 -1.823 -4.616 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.377 -3.738 -2.523 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.187 -2.488 -2.219 1.00 0.00 H new ATOM 0 HG SER A 76 1.906 -4.777 -3.924 1.00 0.00 H new ATOM 1183 N LEU A 77 5.406 -1.826 -3.680 1.00 0.00 N ATOM 1184 CA LEU A 77 6.504 -0.957 -3.269 1.00 0.00 C ATOM 1185 C LEU A 77 6.618 0.236 -4.208 1.00 0.00 C ATOM 1186 O LEU A 77 6.492 1.386 -3.787 1.00 0.00 O ATOM 1187 CB LEU A 77 7.822 -1.727 -3.264 1.00 0.00 C ATOM 1188 CG LEU A 77 8.065 -2.594 -2.031 1.00 0.00 C ATOM 1189 CD1 LEU A 77 7.158 -3.812 -2.042 1.00 0.00 C ATOM 1190 CD2 LEU A 77 9.522 -3.010 -1.967 1.00 0.00 C ATOM 0 H LEU A 77 5.686 -2.774 -3.932 1.00 0.00 H new ATOM 0 HA LEU A 77 6.295 -0.601 -2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.855 -2.364 -4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.641 -1.014 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 77 7.830 -2.009 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.348 -4.415 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.117 -3.490 -2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.357 -4.406 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.685 -3.628 -1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.777 -3.579 -2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 77 10.152 -2.122 -1.910 1.00 0.00 H new ATOM 1202 N GLU A 78 6.861 -0.049 -5.483 1.00 0.00 N ATOM 1203 CA GLU A 78 6.971 0.993 -6.494 1.00 0.00 C ATOM 1204 C GLU A 78 5.713 1.854 -6.505 1.00 0.00 C ATOM 1205 O GLU A 78 5.745 3.015 -6.916 1.00 0.00 O ATOM 1206 CB GLU A 78 7.191 0.373 -7.874 1.00 0.00 C ATOM 1207 CG GLU A 78 8.351 -0.608 -7.924 1.00 0.00 C ATOM 1208 CD GLU A 78 8.552 -1.204 -9.303 1.00 0.00 C ATOM 1209 OE1 GLU A 78 7.902 -2.225 -9.610 1.00 0.00 O ATOM 1210 OE2 GLU A 78 9.362 -0.650 -10.077 1.00 0.00 O ATOM 0 H GLU A 78 6.986 -0.996 -5.840 1.00 0.00 H new ATOM 0 HA GLU A 78 7.827 1.622 -6.250 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.280 -0.139 -8.182 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.369 1.170 -8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.265 -0.100 -7.615 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.174 -1.410 -7.208 1.00 0.00 H new ATOM 1217 N GLN A 79 4.606 1.274 -6.050 1.00 0.00 N ATOM 1218 CA GLN A 79 3.333 1.985 -6.000 1.00 0.00 C ATOM 1219 C GLN A 79 3.356 3.058 -4.917 1.00 0.00 C ATOM 1220 O GLN A 79 3.020 4.216 -5.167 1.00 0.00 O ATOM 1221 CB GLN A 79 2.180 1.011 -5.744 1.00 0.00 C ATOM 1222 CG GLN A 79 1.704 0.278 -6.987 1.00 0.00 C ATOM 1223 CD GLN A 79 0.513 -0.622 -6.711 1.00 0.00 C ATOM 1224 OE1 GLN A 79 0.782 -1.875 -6.367 1.00 0.00 O flip ATOM 1225 NE2 GLN A 79 -0.637 -0.193 -6.808 1.00 0.00 N flip ATOM 0 H GLN A 79 4.565 0.313 -5.711 1.00 0.00 H new ATOM 0 HA GLN A 79 3.179 2.466 -6.966 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.495 0.279 -5.001 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.342 1.560 -5.315 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.436 1.005 -7.753 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.522 -0.320 -7.388 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.798 0.778 -7.075 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.428 -0.809 -6.621 1.00 0.00 H new ATOM 1234 N ILE A 80 3.753 2.661 -3.711 1.00 0.00 N ATOM 1235 CA ILE A 80 3.821 3.585 -2.586 1.00 0.00 C ATOM 1236 C ILE A 80 4.890 4.648 -2.814 1.00 0.00 C ATOM 1237 O ILE A 80 4.592 5.841 -2.865 1.00 0.00 O ATOM 1238 CB ILE A 80 4.121 2.839 -1.269 1.00 0.00 C ATOM 1239 CG1 ILE A 80 3.034 1.799 -0.990 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.235 3.823 -0.111 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.301 0.955 0.238 1.00 0.00 C ATOM 0 H ILE A 80 4.032 1.705 -3.489 1.00 0.00 H new ATOM 0 HA ILE A 80 2.847 4.067 -2.508 1.00 0.00 H new ATOM 0 HB ILE A 80 5.075 2.322 -1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.078 2.309 -0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.939 1.144 -1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.447 3.279 0.809 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.043 4.527 -0.310 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.297 4.368 -0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.489 0.241 0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.240 0.417 0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.366 1.599 1.115 1.00 0.00 H new ATOM 1253 N GLY A 81 6.136 4.204 -2.957 1.00 0.00 N ATOM 1254 CA GLY A 81 7.236 5.126 -3.181 1.00 0.00 C ATOM 1255 C GLY A 81 7.503 6.018 -1.983 1.00 0.00 C ATOM 1256 O GLY A 81 6.594 6.672 -1.471 1.00 0.00 O ATOM 0 H GLY A 81 6.404 3.220 -2.922 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.137 4.560 -3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.014 5.747 -4.049 1.00 0.00 H new ATOM 1260 N GLY A 82 8.754 6.047 -1.533 1.00 0.00 N ATOM 1261 CA GLY A 82 9.112 6.873 -0.395 1.00 0.00 C ATOM 1262 C GLY A 82 10.179 6.242 0.478 1.00 0.00 C ATOM 1263 O GLY A 82 10.625 5.124 0.216 1.00 0.00 O ATOM 0 H GLY A 82 9.525 5.514 -1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.466 7.840 -0.751 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.222 7.061 0.206 1.00 0.00 H new ATOM 1267 N GLU A 83 10.587 6.961 1.519 1.00 0.00 N ATOM 1268 CA GLU A 83 11.608 6.474 2.440 1.00 0.00 C ATOM 1269 C GLU A 83 11.107 5.252 3.204 1.00 0.00 C ATOM 1270 O GLU A 83 11.876 4.341 3.512 1.00 0.00 O ATOM 1271 CB GLU A 83 12.001 7.583 3.422 1.00 0.00 C ATOM 1272 CG GLU A 83 13.380 7.404 4.040 1.00 0.00 C ATOM 1273 CD GLU A 83 13.454 6.226 4.991 1.00 0.00 C ATOM 1274 OE1 GLU A 83 12.851 6.305 6.083 1.00 0.00 O ATOM 1275 OE2 GLU A 83 14.117 5.226 4.647 1.00 0.00 O ATOM 0 H GLU A 83 10.224 7.887 1.746 1.00 0.00 H new ATOM 0 HA GLU A 83 12.484 6.183 1.861 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.968 8.541 2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.260 7.627 4.220 1.00 0.00 H new ATOM 0 HG2 GLU A 83 14.114 7.269 3.245 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.653 8.314 4.575 1.00 0.00 H new ATOM 1282 N ARG A 84 9.812 5.238 3.501 1.00 0.00 N ATOM 1283 CA ARG A 84 9.204 4.132 4.230 1.00 0.00 C ATOM 1284 C ARG A 84 9.419 2.814 3.498 1.00 0.00 C ATOM 1285 O ARG A 84 9.820 1.817 4.101 1.00 0.00 O ATOM 1286 CB ARG A 84 7.703 4.376 4.450 1.00 0.00 C ATOM 1287 CG ARG A 84 6.915 4.674 3.179 1.00 0.00 C ATOM 1288 CD ARG A 84 7.035 6.134 2.770 1.00 0.00 C ATOM 1289 NE ARG A 84 5.783 6.655 2.231 1.00 0.00 N ATOM 1290 CZ ARG A 84 5.485 7.950 2.177 1.00 0.00 C ATOM 1291 NH1 ARG A 84 6.349 8.853 2.620 1.00 0.00 N ATOM 1292 NH2 ARG A 84 4.322 8.345 1.680 1.00 0.00 N ATOM 0 H ARG A 84 9.162 5.982 3.247 1.00 0.00 H new ATOM 0 HA ARG A 84 9.690 4.071 5.204 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.272 3.498 4.931 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.581 5.210 5.141 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.276 4.039 2.370 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.865 4.425 3.335 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.334 6.729 3.633 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.822 6.238 2.023 1.00 0.00 H new ATOM 0 HE ARG A 84 5.098 5.988 1.876 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.246 8.555 3.004 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.117 9.845 2.577 1.00 0.00 H new ATOM 0 HH21 ARG A 84 3.653 7.655 1.338 1.00 0.00 H new ATOM 0 HH22 ARG A 84 4.096 9.339 1.640 1.00 0.00 H new ATOM 1306 N VAL A 85 9.149 2.812 2.198 1.00 0.00 N ATOM 1307 CA VAL A 85 9.321 1.617 1.386 1.00 0.00 C ATOM 1308 C VAL A 85 10.799 1.299 1.205 1.00 0.00 C ATOM 1309 O VAL A 85 11.178 0.147 0.993 1.00 0.00 O ATOM 1310 CB VAL A 85 8.663 1.776 0.004 1.00 0.00 C ATOM 1311 CG1 VAL A 85 8.724 0.472 -0.776 1.00 0.00 C ATOM 1312 CG2 VAL A 85 7.227 2.244 0.154 1.00 0.00 C ATOM 0 H VAL A 85 8.810 3.626 1.685 1.00 0.00 H new ATOM 0 HA VAL A 85 8.834 0.796 1.912 1.00 0.00 H new ATOM 0 HB VAL A 85 9.216 2.530 -0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.253 0.608 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.765 0.179 -0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.198 -0.307 -0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.775 2.352 -0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.664 1.512 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 85 7.209 3.205 0.668 1.00 0.00 H new ATOM 1322 N ARG A 86 11.632 2.333 1.289 1.00 0.00 N ATOM 1323 CA ARG A 86 13.072 2.171 1.133 1.00 0.00 C ATOM 1324 C ARG A 86 13.619 1.197 2.169 1.00 0.00 C ATOM 1325 O ARG A 86 14.678 0.600 1.979 1.00 0.00 O ATOM 1326 CB ARG A 86 13.777 3.521 1.247 1.00 0.00 C ATOM 1327 CG ARG A 86 15.179 3.524 0.663 1.00 0.00 C ATOM 1328 CD ARG A 86 15.778 4.921 0.664 1.00 0.00 C ATOM 1329 NE ARG A 86 14.937 5.878 -0.052 1.00 0.00 N ATOM 1330 CZ ARG A 86 15.151 7.191 -0.054 1.00 0.00 C ATOM 1331 NH1 ARG A 86 16.178 7.701 0.611 1.00 0.00 N ATOM 1332 NH2 ARG A 86 14.336 7.993 -0.726 1.00 0.00 N ATOM 0 H ARG A 86 11.333 3.292 1.464 1.00 0.00 H new ATOM 0 HA ARG A 86 13.265 1.762 0.141 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.179 4.278 0.740 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.829 3.807 2.297 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.816 2.853 1.239 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.151 3.139 -0.357 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.914 5.256 1.692 1.00 0.00 H new ATOM 0 HD3 ARG A 86 16.766 4.892 0.205 1.00 0.00 H new ATOM 0 HE ARG A 86 14.141 5.519 -0.580 1.00 0.00 H new ATOM 0 HH11 ARG A 86 16.808 7.086 1.127 1.00 0.00 H new ATOM 0 HH12 ARG A 86 16.339 8.708 0.607 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.546 7.603 -1.240 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.499 9.000 -0.728 1.00 0.00 H new ATOM 1346 N ALA A 87 12.889 1.045 3.272 1.00 0.00 N ATOM 1347 CA ALA A 87 13.289 0.138 4.335 1.00 0.00 C ATOM 1348 C ALA A 87 12.808 -1.268 4.019 1.00 0.00 C ATOM 1349 O ALA A 87 13.407 -2.257 4.442 1.00 0.00 O ATOM 1350 CB ALA A 87 12.737 0.608 5.673 1.00 0.00 C ATOM 0 H ALA A 87 12.016 1.542 3.449 1.00 0.00 H new ATOM 0 HA ALA A 87 14.377 0.130 4.404 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.046 -0.083 6.457 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.120 1.604 5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.648 0.640 5.626 1.00 0.00 H new ATOM 1356 N ALA A 88 11.713 -1.343 3.267 1.00 0.00 N ATOM 1357 CA ALA A 88 11.148 -2.620 2.867 1.00 0.00 C ATOM 1358 C ALA A 88 12.082 -3.327 1.895 1.00 0.00 C ATOM 1359 O ALA A 88 12.267 -4.542 1.966 1.00 0.00 O ATOM 1360 CB ALA A 88 9.777 -2.421 2.238 1.00 0.00 C ATOM 0 H ALA A 88 11.201 -0.530 2.924 1.00 0.00 H new ATOM 0 HA ALA A 88 11.032 -3.243 3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.368 -3.388 1.944 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.110 -1.949 2.960 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.869 -1.783 1.359 1.00 0.00 H new ATOM 1366 N MET A 89 12.672 -2.553 0.984 1.00 0.00 N ATOM 1367 CA MET A 89 13.599 -3.104 0.011 1.00 0.00 C ATOM 1368 C MET A 89 14.887 -3.520 0.709 1.00 0.00 C ATOM 1369 O MET A 89 15.500 -4.527 0.356 1.00 0.00 O ATOM 1370 CB MET A 89 13.883 -2.086 -1.102 1.00 0.00 C ATOM 1371 CG MET A 89 15.006 -1.108 -0.790 1.00 0.00 C ATOM 1372 SD MET A 89 16.643 -1.808 -1.087 1.00 0.00 S ATOM 1373 CE MET A 89 17.695 -0.541 -0.385 1.00 0.00 C ATOM 0 H MET A 89 12.522 -1.547 0.904 1.00 0.00 H new ATOM 0 HA MET A 89 13.150 -3.984 -0.450 1.00 0.00 H new ATOM 0 HB2 MET A 89 14.131 -2.626 -2.016 1.00 0.00 H new ATOM 0 HB3 MET A 89 12.972 -1.522 -1.302 1.00 0.00 H new ATOM 0 HG2 MET A 89 14.882 -0.213 -1.399 1.00 0.00 H new ATOM 0 HG3 MET A 89 14.932 -0.797 0.252 1.00 0.00 H new ATOM 0 HE1 MET A 89 18.268 -0.062 -1.179 1.00 0.00 H new ATOM 0 HE2 MET A 89 17.080 0.205 0.119 1.00 0.00 H new ATOM 0 HE3 MET A 89 18.379 -0.993 0.333 1.00 0.00 H new ATOM 1383 N GLU A 90 15.292 -2.727 1.703 1.00 0.00 N ATOM 1384 CA GLU A 90 16.494 -3.022 2.470 1.00 0.00 C ATOM 1385 C GLU A 90 16.370 -4.397 3.104 1.00 0.00 C ATOM 1386 O GLU A 90 17.359 -5.112 3.270 1.00 0.00 O ATOM 1387 CB GLU A 90 16.715 -1.968 3.558 1.00 0.00 C ATOM 1388 CG GLU A 90 17.319 -0.673 3.042 1.00 0.00 C ATOM 1389 CD GLU A 90 17.535 0.350 4.139 1.00 0.00 C ATOM 1390 OE1 GLU A 90 16.609 1.149 4.396 1.00 0.00 O ATOM 1391 OE2 GLU A 90 18.628 0.353 4.742 1.00 0.00 O ATOM 0 H GLU A 90 14.804 -1.879 1.992 1.00 0.00 H new ATOM 0 HA GLU A 90 17.350 -3.006 1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.761 -1.748 4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.369 -2.383 4.325 1.00 0.00 H new ATOM 0 HG2 GLU A 90 18.272 -0.889 2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 90 16.664 -0.250 2.280 1.00 0.00 H new ATOM 1398 N LYS A 91 15.139 -4.758 3.455 1.00 0.00 N ATOM 1399 CA LYS A 91 14.866 -6.051 4.065 1.00 0.00 C ATOM 1400 C LYS A 91 15.178 -7.185 3.091 1.00 0.00 C ATOM 1401 O LYS A 91 15.919 -8.110 3.427 1.00 0.00 O ATOM 1402 CB LYS A 91 13.405 -6.119 4.517 1.00 0.00 C ATOM 1403 CG LYS A 91 13.120 -7.230 5.518 1.00 0.00 C ATOM 1404 CD LYS A 91 12.988 -8.581 4.835 1.00 0.00 C ATOM 1405 CE LYS A 91 12.583 -9.661 5.821 1.00 0.00 C ATOM 1406 NZ LYS A 91 13.624 -9.886 6.862 1.00 0.00 N ATOM 0 H LYS A 91 14.315 -4.171 3.326 1.00 0.00 H new ATOM 0 HA LYS A 91 15.510 -6.167 4.937 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.128 -5.163 4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.770 -6.260 3.642 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.923 -7.271 6.254 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.202 -7.005 6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.247 -8.517 4.038 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.936 -8.849 4.368 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.645 -9.380 6.301 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.400 -10.592 5.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.363 -10.709 7.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.541 -10.063 6.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.696 -9.044 7.468 1.00 0.00 H new ATOM 1420 N LEU A 92 14.614 -7.115 1.885 1.00 0.00 N ATOM 1421 CA LEU A 92 14.845 -8.149 0.878 1.00 0.00 C ATOM 1422 C LEU A 92 16.320 -8.222 0.510 1.00 0.00 C ATOM 1423 O LEU A 92 16.854 -9.302 0.269 1.00 0.00 O ATOM 1424 CB LEU A 92 14.020 -7.891 -0.382 1.00 0.00 C ATOM 1425 CG LEU A 92 12.520 -7.704 -0.166 1.00 0.00 C ATOM 1426 CD1 LEU A 92 11.821 -7.533 -1.504 1.00 0.00 C ATOM 1427 CD2 LEU A 92 11.929 -8.882 0.599 1.00 0.00 C ATOM 0 H LEU A 92 13.999 -6.359 1.584 1.00 0.00 H new ATOM 0 HA LEU A 92 14.534 -9.100 1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.411 -7.000 -0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 92 14.168 -8.725 -1.068 1.00 0.00 H new ATOM 0 HG LEU A 92 12.366 -6.805 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.751 -7.400 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.222 -6.657 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.988 -8.419 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.860 -8.725 0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.089 -9.800 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.415 -8.965 1.571 1.00 0.00 H new ATOM 1439 N ALA A 93 16.970 -7.063 0.450 1.00 0.00 N ATOM 1440 CA ALA A 93 18.387 -7.005 0.119 1.00 0.00 C ATOM 1441 C ALA A 93 19.186 -7.901 1.058 1.00 0.00 C ATOM 1442 O ALA A 93 20.218 -8.458 0.683 1.00 0.00 O ATOM 1443 CB ALA A 93 18.891 -5.572 0.193 1.00 0.00 C ATOM 0 H ALA A 93 16.538 -6.156 0.626 1.00 0.00 H new ATOM 0 HA ALA A 93 18.521 -7.365 -0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.952 -5.546 -0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 93 18.336 -4.954 -0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.747 -5.187 1.203 1.00 0.00 H new ATOM 1449 N GLU A 94 18.692 -8.032 2.286 1.00 0.00 N ATOM 1450 CA GLU A 94 19.334 -8.864 3.295 1.00 0.00 C ATOM 1451 C GLU A 94 18.848 -10.305 3.170 1.00 0.00 C ATOM 1452 O GLU A 94 19.515 -11.243 3.607 1.00 0.00 O ATOM 1453 CB GLU A 94 19.020 -8.317 4.693 1.00 0.00 C ATOM 1454 CG GLU A 94 20.021 -8.730 5.761 1.00 0.00 C ATOM 1455 CD GLU A 94 19.902 -10.190 6.151 1.00 0.00 C ATOM 1456 OE1 GLU A 94 18.826 -10.587 6.647 1.00 0.00 O ATOM 1457 OE2 GLU A 94 20.886 -10.936 5.962 1.00 0.00 O ATOM 0 H GLU A 94 17.842 -7.568 2.606 1.00 0.00 H new ATOM 0 HA GLU A 94 20.413 -8.845 3.142 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.984 -7.229 4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 94 18.028 -8.656 4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 94 21.031 -8.538 5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.876 -8.110 6.646 1.00 0.00 H new ATOM 1464 N THR A 95 17.680 -10.469 2.555 1.00 0.00 N ATOM 1465 CA THR A 95 17.084 -11.786 2.362 1.00 0.00 C ATOM 1466 C THR A 95 16.933 -12.109 0.879 1.00 0.00 C ATOM 1467 O THR A 95 15.938 -12.707 0.467 1.00 0.00 O ATOM 1468 CB THR A 95 15.704 -11.879 3.039 1.00 0.00 C ATOM 1469 OG1 THR A 95 14.904 -10.746 2.680 1.00 0.00 O ATOM 1470 CG2 THR A 95 15.847 -11.947 4.551 1.00 0.00 C ATOM 0 H THR A 95 17.125 -9.700 2.180 1.00 0.00 H new ATOM 0 HA THR A 95 17.757 -12.510 2.821 1.00 0.00 H new ATOM 0 HB THR A 95 15.216 -12.791 2.695 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.286 -9.936 3.079 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.859 -12.012 5.007 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.431 -12.827 4.822 1.00 0.00 H new ATOM 0 HG23 THR A 95 16.354 -11.051 4.909 1.00 0.00 H new ATOM 1478 N GLY A 96 17.926 -11.703 0.086 1.00 0.00 N ATOM 1479 CA GLY A 96 17.896 -11.947 -1.346 1.00 0.00 C ATOM 1480 C GLY A 96 17.347 -13.310 -1.707 1.00 0.00 C ATOM 1481 O GLY A 96 17.991 -14.332 -1.469 1.00 0.00 O ATOM 0 H GLY A 96 18.754 -11.207 0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.289 -11.179 -1.826 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.906 -11.852 -1.746 1.00 0.00 H new ATOM 1485 N THR A 97 16.149 -13.323 -2.282 1.00 0.00 N ATOM 1486 CA THR A 97 15.506 -14.570 -2.677 1.00 0.00 C ATOM 1487 C THR A 97 14.563 -14.362 -3.858 1.00 0.00 C ATOM 1488 O THR A 97 13.829 -13.373 -3.914 1.00 0.00 O ATOM 1489 CB THR A 97 14.720 -15.193 -1.507 1.00 0.00 C ATOM 1490 OG1 THR A 97 14.125 -16.430 -1.919 1.00 0.00 O ATOM 1491 CG2 THR A 97 13.636 -14.245 -1.014 1.00 0.00 C ATOM 0 H THR A 97 15.605 -12.485 -2.485 1.00 0.00 H new ATOM 0 HA THR A 97 16.303 -15.252 -2.974 1.00 0.00 H new ATOM 0 HB THR A 97 15.418 -15.378 -0.690 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.629 -16.820 -1.169 1.00 0.00 H new ATOM 0 HG21 THR A 97 13.096 -14.708 -0.188 1.00 0.00 H new ATOM 0 HG22 THR A 97 14.093 -13.316 -0.673 1.00 0.00 H new ATOM 0 HG23 THR A 97 12.942 -14.031 -1.827 1.00 0.00 H new ATOM 1499 N GLY A 98 14.589 -15.301 -4.799 1.00 0.00 N ATOM 1500 CA GLY A 98 13.730 -15.214 -5.967 1.00 0.00 C ATOM 1501 C GLY A 98 13.896 -13.910 -6.723 1.00 0.00 C ATOM 1502 O GLY A 98 15.012 -13.418 -6.890 1.00 0.00 O ATOM 0 H GLY A 98 15.192 -16.123 -4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.948 -16.047 -6.636 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.690 -15.319 -5.656 1.00 0.00 H new ATOM 1506 N PHE A 99 12.780 -13.350 -7.179 1.00 0.00 N ATOM 1507 CA PHE A 99 12.803 -12.097 -7.923 1.00 0.00 C ATOM 1508 C PHE A 99 12.560 -10.914 -6.990 1.00 0.00 C ATOM 1509 O PHE A 99 12.791 -9.762 -7.358 1.00 0.00 O ATOM 1510 CB PHE A 99 11.760 -12.137 -9.052 1.00 0.00 C ATOM 1511 CG PHE A 99 10.467 -11.421 -8.755 1.00 0.00 C ATOM 1512 CD1 PHE A 99 9.666 -11.789 -7.681 1.00 0.00 C ATOM 1513 CD2 PHE A 99 10.051 -10.377 -9.566 1.00 0.00 C ATOM 1514 CE1 PHE A 99 8.480 -11.127 -7.427 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.867 -9.715 -9.317 1.00 0.00 C ATOM 1516 CZ PHE A 99 8.081 -10.090 -8.246 1.00 0.00 C ATOM 0 H PHE A 99 11.849 -13.745 -7.046 1.00 0.00 H new ATOM 0 HA PHE A 99 13.789 -11.969 -8.371 1.00 0.00 H new ATOM 0 HB2 PHE A 99 12.201 -11.701 -9.948 1.00 0.00 H new ATOM 0 HB3 PHE A 99 11.536 -13.179 -9.282 1.00 0.00 H new ATOM 0 HD1 PHE A 99 9.973 -12.601 -7.038 1.00 0.00 H new ATOM 0 HD2 PHE A 99 10.662 -10.078 -10.404 1.00 0.00 H new ATOM 0 HE1 PHE A 99 7.866 -11.421 -6.589 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.555 -8.904 -9.959 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.154 -9.572 -8.049 1.00 0.00 H new ATOM 1526 N ALA A 100 12.094 -11.211 -5.780 1.00 0.00 N ATOM 1527 CA ALA A 100 11.821 -10.180 -4.788 1.00 0.00 C ATOM 1528 C ALA A 100 13.062 -9.339 -4.526 1.00 0.00 C ATOM 1529 O ALA A 100 12.971 -8.136 -4.278 1.00 0.00 O ATOM 1530 CB ALA A 100 11.328 -10.811 -3.498 1.00 0.00 C ATOM 0 H ALA A 100 11.898 -12.161 -5.464 1.00 0.00 H new ATOM 0 HA ALA A 100 11.043 -9.525 -5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.127 -10.030 -2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.413 -11.370 -3.693 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.090 -11.487 -3.109 1.00 0.00 H new ATOM 1536 N ARG A 101 14.223 -9.982 -4.575 1.00 0.00 N ATOM 1537 CA ARG A 101 15.487 -9.293 -4.354 1.00 0.00 C ATOM 1538 C ARG A 101 15.696 -8.219 -5.412 1.00 0.00 C ATOM 1539 O ARG A 101 15.819 -7.036 -5.093 1.00 0.00 O ATOM 1540 CB ARG A 101 16.642 -10.289 -4.390 1.00 0.00 C ATOM 1541 CG ARG A 101 18.014 -9.640 -4.286 1.00 0.00 C ATOM 1542 CD ARG A 101 18.211 -8.950 -2.946 1.00 0.00 C ATOM 1543 NE ARG A 101 19.255 -7.930 -3.005 1.00 0.00 N ATOM 1544 CZ ARG A 101 20.504 -8.123 -2.591 1.00 0.00 C ATOM 1545 NH1 ARG A 101 20.870 -9.298 -2.096 1.00 0.00 N ATOM 1546 NH2 ARG A 101 21.388 -7.140 -2.675 1.00 0.00 N ATOM 0 H ARG A 101 14.314 -10.980 -4.766 1.00 0.00 H new ATOM 0 HA ARG A 101 15.457 -8.819 -3.373 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.523 -10.999 -3.572 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.589 -10.859 -5.317 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.786 -10.398 -4.422 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.135 -8.914 -5.090 1.00 0.00 H new ATOM 0 HD2 ARG A 101 17.273 -8.491 -2.633 1.00 0.00 H new ATOM 0 HD3 ARG A 101 18.471 -9.692 -2.191 1.00 0.00 H new ATOM 0 HE ARG A 101 19.012 -7.016 -3.386 1.00 0.00 H new ATOM 0 HH11 ARG A 101 20.192 -10.058 -2.032 1.00 0.00 H new ATOM 0 HH12 ARG A 101 21.829 -9.442 -1.780 1.00 0.00 H new ATOM 0 HH21 ARG A 101 21.111 -6.236 -3.057 1.00 0.00 H new ATOM 0 HH22 ARG A 101 22.346 -7.287 -2.358 1.00 0.00 H new ATOM 1560 N LYS A 102 15.740 -8.644 -6.673 1.00 0.00 N ATOM 1561 CA LYS A 102 15.919 -7.722 -7.785 1.00 0.00 C ATOM 1562 C LYS A 102 14.905 -6.590 -7.692 1.00 0.00 C ATOM 1563 O LYS A 102 15.183 -5.454 -8.076 1.00 0.00 O ATOM 1564 CB LYS A 102 15.768 -8.462 -9.118 1.00 0.00 C ATOM 1565 CG LYS A 102 15.524 -7.542 -10.305 1.00 0.00 C ATOM 1566 CD LYS A 102 15.632 -8.291 -11.625 1.00 0.00 C ATOM 1567 CE LYS A 102 14.478 -9.263 -11.814 1.00 0.00 C ATOM 1568 NZ LYS A 102 14.614 -10.048 -13.072 1.00 0.00 N ATOM 0 H LYS A 102 15.654 -9.623 -6.947 1.00 0.00 H new ATOM 0 HA LYS A 102 16.923 -7.300 -7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.669 -9.047 -9.303 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.940 -9.167 -9.040 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.534 -7.093 -10.221 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.247 -6.726 -10.289 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.646 -7.577 -12.449 1.00 0.00 H new ATOM 0 HD3 LYS A 102 16.576 -8.835 -11.659 1.00 0.00 H new ATOM 0 HE2 LYS A 102 14.434 -9.944 -10.964 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.538 -8.712 -11.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.808 -10.699 -13.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 14.630 -9.400 -13.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 15.499 -10.594 -13.046 1.00 0.00 H new ATOM 1582 N VAL A 103 13.732 -6.915 -7.168 1.00 0.00 N ATOM 1583 CA VAL A 103 12.668 -5.940 -7.004 1.00 0.00 C ATOM 1584 C VAL A 103 13.071 -4.854 -6.012 1.00 0.00 C ATOM 1585 O VAL A 103 12.895 -3.668 -6.275 1.00 0.00 O ATOM 1586 CB VAL A 103 11.373 -6.623 -6.520 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.393 -5.602 -5.956 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.735 -7.408 -7.654 1.00 0.00 C ATOM 0 H VAL A 103 13.494 -7.854 -6.848 1.00 0.00 H new ATOM 0 HA VAL A 103 12.489 -5.481 -7.976 1.00 0.00 H new ATOM 0 HB VAL A 103 11.632 -7.315 -5.719 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.489 -6.111 -5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.851 -5.086 -5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.137 -4.878 -6.729 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.822 -7.885 -7.298 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.495 -6.732 -8.475 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.430 -8.171 -8.004 1.00 0.00 H new ATOM 1598 N ALA A 104 13.615 -5.273 -4.877 1.00 0.00 N ATOM 1599 CA ALA A 104 14.038 -4.344 -3.836 1.00 0.00 C ATOM 1600 C ALA A 104 15.129 -3.395 -4.326 1.00 0.00 C ATOM 1601 O ALA A 104 15.016 -2.176 -4.187 1.00 0.00 O ATOM 1602 CB ALA A 104 14.526 -5.117 -2.621 1.00 0.00 C ATOM 0 H ALA A 104 13.775 -6.255 -4.653 1.00 0.00 H new ATOM 0 HA ALA A 104 13.175 -3.737 -3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.841 -4.417 -1.847 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.719 -5.742 -2.239 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.369 -5.747 -2.905 1.00 0.00 H new ATOM 1608 N VAL A 105 16.183 -3.965 -4.896 1.00 0.00 N ATOM 1609 CA VAL A 105 17.313 -3.185 -5.393 1.00 0.00 C ATOM 1610 C VAL A 105 16.915 -2.253 -6.538 1.00 0.00 C ATOM 1611 O VAL A 105 17.051 -1.035 -6.432 1.00 0.00 O ATOM 1612 CB VAL A 105 18.454 -4.103 -5.874 1.00 0.00 C ATOM 1613 CG1 VAL A 105 19.636 -3.281 -6.366 1.00 0.00 C ATOM 1614 CG2 VAL A 105 18.881 -5.047 -4.761 1.00 0.00 C ATOM 0 H VAL A 105 16.280 -4.972 -5.027 1.00 0.00 H new ATOM 0 HA VAL A 105 17.655 -2.579 -4.554 1.00 0.00 H new ATOM 0 HB VAL A 105 18.086 -4.700 -6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 105 20.430 -3.949 -6.701 1.00 0.00 H new ATOM 0 HG12 VAL A 105 19.320 -2.649 -7.196 1.00 0.00 H new ATOM 0 HG13 VAL A 105 20.007 -2.655 -5.554 1.00 0.00 H new ATOM 0 HG21 VAL A 105 19.687 -5.688 -5.117 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.229 -4.467 -3.906 1.00 0.00 H new ATOM 0 HG23 VAL A 105 18.033 -5.663 -4.461 1.00 0.00 H new ATOM 1624 N ASN A 106 16.432 -2.834 -7.631 1.00 0.00 N ATOM 1625 CA ASN A 106 16.039 -2.060 -8.809 1.00 0.00 C ATOM 1626 C ASN A 106 14.981 -1.006 -8.491 1.00 0.00 C ATOM 1627 O ASN A 106 14.929 0.034 -9.144 1.00 0.00 O ATOM 1628 CB ASN A 106 15.536 -2.992 -9.910 1.00 0.00 C ATOM 1629 CG ASN A 106 16.673 -3.666 -10.653 1.00 0.00 C ATOM 1630 OD1 ASN A 106 17.189 -4.750 -10.089 1.00 0.00 O flip ATOM 1631 ND2 ASN A 106 17.090 -3.209 -11.716 1.00 0.00 N flip ATOM 0 H ASN A 106 16.302 -3.841 -7.728 1.00 0.00 H new ATOM 0 HA ASN A 106 16.927 -1.531 -9.154 1.00 0.00 H new ATOM 0 HB2 ASN A 106 14.889 -3.752 -9.473 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.929 -2.424 -10.615 1.00 0.00 H new ATOM 0 HD21 ASN A 106 16.663 -2.372 -12.114 1.00 0.00 H new ATOM 0 HD22 ASN A 106 17.863 -3.667 -12.200 1.00 0.00 H new ATOM 1638 N TYR A 107 14.135 -1.271 -7.501 1.00 0.00 N ATOM 1639 CA TYR A 107 13.092 -0.324 -7.130 1.00 0.00 C ATOM 1640 C TYR A 107 13.715 1.008 -6.727 1.00 0.00 C ATOM 1641 O TYR A 107 13.115 2.070 -6.898 1.00 0.00 O ATOM 1642 CB TYR A 107 12.234 -0.903 -6.001 1.00 0.00 C ATOM 1643 CG TYR A 107 11.561 0.134 -5.135 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.635 1.026 -5.657 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.866 0.217 -3.790 1.00 0.00 C ATOM 1646 CE1 TYR A 107 10.031 1.975 -4.853 1.00 0.00 C ATOM 1647 CE2 TYR A 107 11.270 1.160 -2.978 1.00 0.00 C ATOM 1648 CZ TYR A 107 10.353 2.038 -3.514 1.00 0.00 C ATOM 1649 OH TYR A 107 9.755 2.982 -2.710 1.00 0.00 O ATOM 0 H TYR A 107 14.151 -2.126 -6.946 1.00 0.00 H new ATOM 0 HA TYR A 107 12.444 -0.147 -7.988 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.470 -1.547 -6.436 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.861 -1.533 -5.371 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.383 0.978 -6.706 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.584 -0.469 -3.366 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.311 2.663 -5.272 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.521 1.210 -1.929 1.00 0.00 H new ATOM 0 HH TYR A 107 10.442 3.459 -2.199 1.00 0.00 H new ATOM 1659 N LEU A 108 14.932 0.936 -6.199 1.00 0.00 N ATOM 1660 CA LEU A 108 15.662 2.122 -5.773 1.00 0.00 C ATOM 1661 C LEU A 108 15.790 3.124 -6.914 1.00 0.00 C ATOM 1662 O LEU A 108 15.946 4.325 -6.687 1.00 0.00 O ATOM 1663 CB LEU A 108 17.050 1.725 -5.274 1.00 0.00 C ATOM 1664 CG LEU A 108 17.072 0.914 -3.979 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.479 0.416 -3.688 1.00 0.00 C ATOM 1666 CD2 LEU A 108 16.551 1.750 -2.819 1.00 0.00 C ATOM 0 H LEU A 108 15.436 0.061 -6.055 1.00 0.00 H new ATOM 0 HA LEU A 108 15.105 2.594 -4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.547 1.147 -6.053 1.00 0.00 H new ATOM 0 HB3 LEU A 108 17.637 2.631 -5.126 1.00 0.00 H new ATOM 0 HG LEU A 108 16.419 0.050 -4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.477 -0.160 -2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 108 18.818 -0.217 -4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.152 1.267 -3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.573 1.157 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 108 17.179 2.632 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.527 2.060 -3.025 1.00 0.00 H new ATOM 1678 N GLU A 109 15.732 2.617 -8.143 1.00 0.00 N ATOM 1679 CA GLU A 109 15.838 3.456 -9.333 1.00 0.00 C ATOM 1680 C GLU A 109 14.860 4.626 -9.264 1.00 0.00 C ATOM 1681 O GLU A 109 15.160 5.727 -9.726 1.00 0.00 O ATOM 1682 CB GLU A 109 15.575 2.615 -10.587 1.00 0.00 C ATOM 1683 CG GLU A 109 15.933 3.315 -11.890 1.00 0.00 C ATOM 1684 CD GLU A 109 14.902 4.345 -12.309 1.00 0.00 C ATOM 1685 OE1 GLU A 109 13.746 3.954 -12.576 1.00 0.00 O ATOM 1686 OE2 GLU A 109 15.250 5.543 -12.370 1.00 0.00 O ATOM 0 H GLU A 109 15.611 1.624 -8.341 1.00 0.00 H new ATOM 0 HA GLU A 109 16.848 3.863 -9.381 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.145 1.688 -10.516 1.00 0.00 H new ATOM 0 HB3 GLU A 109 14.521 2.340 -10.612 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.902 3.802 -11.781 1.00 0.00 H new ATOM 0 HG3 GLU A 109 16.037 2.571 -12.680 1.00 0.00 H new ATOM 1693 N THR A 110 13.692 4.382 -8.678 1.00 0.00 N ATOM 1694 CA THR A 110 12.671 5.415 -8.548 1.00 0.00 C ATOM 1695 C THR A 110 12.739 6.094 -7.183 1.00 0.00 C ATOM 1696 O THR A 110 12.890 7.312 -7.094 1.00 0.00 O ATOM 1697 CB THR A 110 11.258 4.839 -8.753 1.00 0.00 C ATOM 1698 OG1 THR A 110 11.016 3.783 -7.815 1.00 0.00 O ATOM 1699 CG2 THR A 110 11.086 4.316 -10.170 1.00 0.00 C ATOM 0 H THR A 110 13.429 3.478 -8.286 1.00 0.00 H new ATOM 0 HA THR A 110 12.871 6.152 -9.325 1.00 0.00 H new ATOM 0 HB THR A 110 10.537 5.640 -8.589 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.653 3.055 -7.970 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.080 3.914 -10.290 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.239 5.130 -10.879 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.816 3.529 -10.358 1.00 0.00 H new ATOM 1707 N HIS A 111 12.627 5.299 -6.123 1.00 0.00 N ATOM 1708 CA HIS A 111 12.676 5.824 -4.762 1.00 0.00 C ATOM 1709 C HIS A 111 13.647 5.021 -3.902 1.00 0.00 C ATOM 1710 O HIS A 111 14.848 5.362 -3.892 1.00 0.00 O ATOM 1711 CB HIS A 111 11.279 5.804 -4.133 1.00 0.00 C ATOM 1712 CG HIS A 111 10.275 6.628 -4.878 1.00 0.00 C ATOM 1713 ND1 HIS A 111 9.898 7.894 -4.482 1.00 0.00 N ATOM 1714 CD2 HIS A 111 9.564 6.359 -6.000 1.00 0.00 C ATOM 1715 CE1 HIS A 111 8.999 8.367 -5.328 1.00 0.00 C ATOM 1716 NE2 HIS A 111 8.781 7.455 -6.256 1.00 0.00 N ATOM 1717 OXT HIS A 111 13.198 4.057 -3.244 1.00 0.00 O ATOM 0 H HIS A 111 12.502 4.288 -6.180 1.00 0.00 H new ATOM 0 HA HIS A 111 13.030 6.854 -4.810 1.00 0.00 H new ATOM 0 HB2 HIS A 111 10.926 4.774 -4.084 1.00 0.00 H new ATOM 0 HB3 HIS A 111 11.346 6.167 -3.108 1.00 0.00 H new ATOM 0 HD2 HIS A 111 9.606 5.451 -6.583 1.00 0.00 H new ATOM 0 HE1 HIS A 111 8.524 9.335 -5.269 1.00 0.00 H new ATOM 0 HE2 HIS A 111 8.134 7.550 -7.039 1.00 0.00 H new