USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 843 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 104 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 93 TYR OH : rot -87:sc= 0.68 USER MOD Set 2.2: A 97 TYR OH : rot -130:sc= 0.149 USER MOD Set 3.1: A 48 ASN : amide:sc= -1.31 K(o=-1.4,f=-6.6!) USER MOD Set 3.2: A 50 GLN : amide:sc= 0.0203 K(o=-1.4,f=-3.5!) USER MOD Set 3.3: A 82 GLN :FLIP amide:sc= -0.11 F(o=-2.5,f=-1.4) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.357 K(o=0.36,f=-0.69) USER MOD Single : A 40 MET CE :methyl -140:sc= -0.497 (180deg=-2.23!) USER MOD Single : A 41 GLN : amide:sc= -0.772 K(o=-0.77,f=-3.6!) USER MOD Single : A 42 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.19) USER MOD Single : A 43 LYS NZ :NH3+ -106:sc= 0.837 (180deg=-1.91) USER MOD Single : A 46 MET CE :methyl -120:sc= -1.22 (180deg=-3.15!) USER MOD Single : A 51 ASN : amide:sc= -0.26 K(o=-0.26,f=-3.1!) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 ASN :FLIP amide:sc= -0.235 F(o=-1.2,f=-0.23) USER MOD Single : A 66 SER OG : rot 170:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 71 LYS NZ :NH3+ -155:sc= -0.165 (180deg=-0.703) USER MOD Single : A 72 ASN : amide:sc= -0.0276 K(o=-0.028,f=-0.91) USER MOD Single : A 77 HIS :FLIP no HD1:sc= -1.18 F(o=-2.8!,f=-1.2) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -5.03! C(o=-5!,f=-6.3!) USER MOD Single : A 87 SER OG : rot -49:sc= 1.23 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc= -1.89 X(o=-1.9,f=-2.1) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= -0.385 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.0566 USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 HIS :FLIP no HD1:sc= 0.0853 F(o=-0.42,f=0.085) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -1.02 K(o=-1,f=-3!) USER MOD Single : A 132 THR OG1 : rot -87:sc= 1.01 USER MOD Single : A 138 HIS :FLIP no HD1:sc= -1.94 F(o=-3.4!,f=-1.9) USER MOD Single : A 140 GLN : amide:sc= -1.64 X(o=-1.6,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 445 N PHE A 31 1.916 11.528 -4.920 1.00 0.00 N ATOM 446 CA PHE A 31 2.134 11.283 -3.499 1.00 0.00 C ATOM 447 C PHE A 31 0.857 11.532 -2.702 1.00 0.00 C ATOM 448 O PHE A 31 0.491 10.741 -1.833 1.00 0.00 O ATOM 449 CB PHE A 31 3.259 12.176 -2.973 1.00 0.00 C ATOM 450 CG PHE A 31 3.268 13.550 -3.580 1.00 0.00 C ATOM 451 CD1 PHE A 31 2.372 14.516 -3.152 1.00 0.00 C ATOM 452 CD2 PHE A 31 4.172 13.875 -4.578 1.00 0.00 C ATOM 453 CE1 PHE A 31 2.377 15.782 -3.708 1.00 0.00 C ATOM 454 CE2 PHE A 31 4.182 15.139 -5.137 1.00 0.00 C ATOM 455 CZ PHE A 31 3.283 16.093 -4.703 1.00 0.00 C ATOM 0 HA PHE A 31 2.420 10.239 -3.376 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.164 12.266 -1.891 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.217 11.694 -3.170 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.661 14.277 -2.375 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.877 13.133 -4.923 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.674 16.526 -3.365 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.893 15.381 -5.913 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.288 17.080 -5.141 1.00 0.00 H new ATOM 465 N GLU A 32 0.183 12.637 -3.005 1.00 0.00 N ATOM 466 CA GLU A 32 -1.052 12.991 -2.316 1.00 0.00 C ATOM 467 C GLU A 32 -2.099 11.892 -2.476 1.00 0.00 C ATOM 468 O GLU A 32 -2.716 11.459 -1.502 1.00 0.00 O ATOM 469 CB GLU A 32 -1.601 14.315 -2.853 1.00 0.00 C ATOM 470 CG GLU A 32 -2.921 14.727 -2.224 1.00 0.00 C ATOM 471 CD GLU A 32 -3.206 16.208 -2.382 1.00 0.00 C ATOM 472 OE1 GLU A 32 -3.471 16.641 -3.523 1.00 0.00 O ATOM 473 OE2 GLU A 32 -3.164 16.933 -1.367 1.00 0.00 O ATOM 0 H GLU A 32 0.471 13.302 -3.723 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.826 13.103 -1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.865 15.100 -2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.732 14.233 -3.932 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.730 14.155 -2.678 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.908 14.474 -1.164 1.00 0.00 H new ATOM 480 N THR A 33 -2.294 11.445 -3.713 1.00 0.00 N ATOM 481 CA THR A 33 -3.266 10.398 -4.002 1.00 0.00 C ATOM 482 C THR A 33 -3.110 9.223 -3.044 1.00 0.00 C ATOM 483 O THR A 33 -4.029 8.897 -2.292 1.00 0.00 O ATOM 484 CB THR A 33 -3.128 9.888 -5.449 1.00 0.00 C ATOM 485 OG1 THR A 33 -1.782 9.467 -5.694 1.00 0.00 O ATOM 486 CG2 THR A 33 -3.515 10.972 -6.444 1.00 0.00 C ATOM 0 H THR A 33 -1.792 11.792 -4.530 1.00 0.00 H new ATOM 0 HA THR A 33 -4.254 10.840 -3.873 1.00 0.00 H new ATOM 0 HB THR A 33 -3.802 9.041 -5.578 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.703 9.143 -6.615 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.410 10.589 -7.459 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.550 11.269 -6.274 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.863 11.836 -6.313 1.00 0.00 H new ATOM 494 N ALA A 34 -1.942 8.591 -3.075 1.00 0.00 N ATOM 495 CA ALA A 34 -1.665 7.453 -2.207 1.00 0.00 C ATOM 496 C ALA A 34 -2.339 7.621 -0.850 1.00 0.00 C ATOM 497 O ALA A 34 -2.735 6.643 -0.216 1.00 0.00 O ATOM 498 CB ALA A 34 -0.164 7.273 -2.035 1.00 0.00 C ATOM 0 H ALA A 34 -1.172 8.848 -3.692 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.075 6.560 -2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.028 6.420 -1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.295 7.098 -3.008 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.262 8.172 -1.589 1.00 0.00 H new ATOM 504 N LYS A 35 -2.466 8.868 -0.408 1.00 0.00 N ATOM 505 CA LYS A 35 -3.093 9.166 0.874 1.00 0.00 C ATOM 506 C LYS A 35 -4.588 9.416 0.704 1.00 0.00 C ATOM 507 O LYS A 35 -5.394 8.994 1.533 1.00 0.00 O ATOM 508 CB LYS A 35 -2.431 10.387 1.517 1.00 0.00 C ATOM 509 CG LYS A 35 -1.265 10.039 2.426 1.00 0.00 C ATOM 510 CD LYS A 35 -0.234 11.155 2.462 1.00 0.00 C ATOM 511 CE LYS A 35 0.514 11.266 1.143 1.00 0.00 C ATOM 512 NZ LYS A 35 1.629 12.250 1.219 1.00 0.00 N ATOM 0 H LYS A 35 -2.143 9.689 -0.920 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.959 8.302 1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.081 11.056 0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.178 10.934 2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.633 9.849 3.434 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.795 9.119 2.080 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.728 12.101 2.682 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.475 10.971 3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.910 10.289 0.867 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.179 11.563 0.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.114 12.297 0.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.249 13.188 1.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.304 11.954 1.952 1.00 0.00 H new ATOM 526 N GLU A 36 -4.950 10.102 -0.376 1.00 0.00 N ATOM 527 CA GLU A 36 -6.349 10.406 -0.653 1.00 0.00 C ATOM 528 C GLU A 36 -7.155 9.125 -0.852 1.00 0.00 C ATOM 529 O GLU A 36 -8.249 8.977 -0.305 1.00 0.00 O ATOM 530 CB GLU A 36 -6.465 11.292 -1.895 1.00 0.00 C ATOM 531 CG GLU A 36 -6.662 10.511 -3.184 1.00 0.00 C ATOM 532 CD GLU A 36 -6.679 11.404 -4.409 1.00 0.00 C ATOM 533 OE1 GLU A 36 -6.245 12.569 -4.300 1.00 0.00 O ATOM 534 OE2 GLU A 36 -7.128 10.937 -5.477 1.00 0.00 O ATOM 0 H GLU A 36 -4.295 10.457 -1.072 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.755 10.941 0.206 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.302 11.978 -1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.565 11.900 -1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.863 9.776 -3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.599 9.957 -3.129 1.00 0.00 H new ATOM 541 N CYS A 37 -6.607 8.205 -1.637 1.00 0.00 N ATOM 542 CA CYS A 37 -7.275 6.937 -1.910 1.00 0.00 C ATOM 543 C CYS A 37 -7.601 6.204 -0.613 1.00 0.00 C ATOM 544 O CYS A 37 -8.741 5.802 -0.384 1.00 0.00 O ATOM 545 CB CYS A 37 -6.398 6.056 -2.801 1.00 0.00 C ATOM 546 SG CYS A 37 -6.502 6.453 -4.562 1.00 0.00 S ATOM 0 H CYS A 37 -5.702 8.313 -2.096 1.00 0.00 H new ATOM 0 HA CYS A 37 -8.209 7.151 -2.430 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.361 6.150 -2.479 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.683 5.014 -2.657 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.724 5.656 -5.233 1.00 0.00 H new ATOM 552 N GLY A 38 -6.590 6.032 0.234 1.00 0.00 N ATOM 553 CA GLY A 38 -6.789 5.346 1.497 1.00 0.00 C ATOM 554 C GLY A 38 -8.151 5.628 2.102 1.00 0.00 C ATOM 555 O GLY A 38 -8.783 4.735 2.664 1.00 0.00 O ATOM 0 H GLY A 38 -5.637 6.356 0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.677 4.272 1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.013 5.651 2.199 1.00 0.00 H new ATOM 559 N GLN A 39 -8.601 6.874 1.988 1.00 0.00 N ATOM 560 CA GLN A 39 -9.894 7.270 2.531 1.00 0.00 C ATOM 561 C GLN A 39 -11.033 6.603 1.766 1.00 0.00 C ATOM 562 O GLN A 39 -11.744 5.756 2.307 1.00 0.00 O ATOM 563 CB GLN A 39 -10.050 8.791 2.476 1.00 0.00 C ATOM 564 CG GLN A 39 -9.035 9.537 3.328 1.00 0.00 C ATOM 565 CD GLN A 39 -8.893 10.992 2.926 1.00 0.00 C ATOM 566 OE1 GLN A 39 -9.752 11.545 2.238 1.00 0.00 O ATOM 567 NE2 GLN A 39 -7.804 11.621 3.353 1.00 0.00 N ATOM 0 H GLN A 39 -8.089 7.625 1.525 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.938 6.944 3.570 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.956 9.121 1.441 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.054 9.057 2.805 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.334 9.481 4.375 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.066 9.045 3.246 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.118 11.124 3.921 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.654 12.601 3.113 1.00 0.00 H new ATOM 576 N MET A 40 -11.200 6.991 0.506 1.00 0.00 N ATOM 577 CA MET A 40 -12.253 6.430 -0.333 1.00 0.00 C ATOM 578 C MET A 40 -12.263 4.907 -0.245 1.00 0.00 C ATOM 579 O MET A 40 -13.291 4.301 0.058 1.00 0.00 O ATOM 580 CB MET A 40 -12.064 6.868 -1.786 1.00 0.00 C ATOM 581 CG MET A 40 -12.635 8.244 -2.085 1.00 0.00 C ATOM 582 SD MET A 40 -12.034 9.508 -0.949 1.00 0.00 S ATOM 583 CE MET A 40 -13.322 9.485 0.295 1.00 0.00 C ATOM 0 H MET A 40 -10.620 7.691 0.044 1.00 0.00 H new ATOM 0 HA MET A 40 -13.211 6.804 0.029 1.00 0.00 H new ATOM 0 HB2 MET A 40 -11.000 6.866 -2.022 1.00 0.00 H new ATOM 0 HB3 MET A 40 -12.537 6.137 -2.442 1.00 0.00 H new ATOM 0 HG2 MET A 40 -12.377 8.526 -3.106 1.00 0.00 H new ATOM 0 HG3 MET A 40 -13.723 8.201 -2.032 1.00 0.00 H new ATOM 0 HE1 MET A 40 -13.541 10.505 0.611 1.00 0.00 H new ATOM 0 HE2 MET A 40 -14.222 9.033 -0.122 1.00 0.00 H new ATOM 0 HE3 MET A 40 -12.988 8.903 1.154 1.00 0.00 H new ATOM 593 N GLN A 41 -11.113 4.296 -0.513 1.00 0.00 N ATOM 594 CA GLN A 41 -10.992 2.843 -0.465 1.00 0.00 C ATOM 595 C GLN A 41 -11.041 2.340 0.974 1.00 0.00 C ATOM 596 O GLN A 41 -11.380 1.185 1.226 1.00 0.00 O ATOM 597 CB GLN A 41 -9.689 2.397 -1.130 1.00 0.00 C ATOM 598 CG GLN A 41 -9.474 2.996 -2.510 1.00 0.00 C ATOM 599 CD GLN A 41 -8.250 2.433 -3.206 1.00 0.00 C ATOM 600 OE1 GLN A 41 -7.118 2.793 -2.883 1.00 0.00 O ATOM 601 NE2 GLN A 41 -8.472 1.545 -4.168 1.00 0.00 N ATOM 0 H GLN A 41 -10.253 4.783 -0.765 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.834 2.415 -1.009 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.851 2.672 -0.489 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.685 1.310 -1.210 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.355 2.809 -3.124 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.371 4.077 -2.421 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.427 1.276 -4.403 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.687 1.132 -4.672 1.00 0.00 H new ATOM 610 N ASN A 42 -10.700 3.215 1.914 1.00 0.00 N ATOM 611 CA ASN A 42 -10.704 2.859 3.328 1.00 0.00 C ATOM 612 C ASN A 42 -9.702 1.744 3.611 1.00 0.00 C ATOM 613 O ASN A 42 -10.022 0.761 4.279 1.00 0.00 O ATOM 614 CB ASN A 42 -12.105 2.423 3.761 1.00 0.00 C ATOM 615 CG ASN A 42 -13.077 3.585 3.832 1.00 0.00 C ATOM 616 OD1 ASN A 42 -13.083 4.345 4.800 1.00 0.00 O ATOM 617 ND2 ASN A 42 -13.905 3.727 2.803 1.00 0.00 N ATOM 0 H ASN A 42 -10.417 4.176 1.722 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.412 3.740 3.900 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.484 1.679 3.060 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.047 1.941 4.737 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -14.581 4.490 2.794 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.864 3.073 2.022 1.00 0.00 H new ATOM 624 N LYS A 43 -8.486 1.905 3.099 1.00 0.00 N ATOM 625 CA LYS A 43 -7.435 0.914 3.298 1.00 0.00 C ATOM 626 C LYS A 43 -6.139 1.580 3.749 1.00 0.00 C ATOM 627 O LYS A 43 -5.880 2.739 3.425 1.00 0.00 O ATOM 628 CB LYS A 43 -7.195 0.130 2.006 1.00 0.00 C ATOM 629 CG LYS A 43 -8.420 -0.620 1.513 1.00 0.00 C ATOM 630 CD LYS A 43 -8.348 -0.886 0.019 1.00 0.00 C ATOM 631 CE LYS A 43 -9.564 -1.657 -0.470 1.00 0.00 C ATOM 632 NZ LYS A 43 -10.837 -0.983 -0.091 1.00 0.00 N ATOM 0 H LYS A 43 -8.204 2.713 2.543 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.760 0.226 4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.864 0.819 1.229 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.385 -0.581 2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.508 -1.566 2.048 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.316 -0.042 1.738 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.277 0.060 -0.517 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.443 -1.450 -0.208 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.517 -1.761 -1.554 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.548 -2.664 -0.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.291 -1.508 0.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.636 -0.011 0.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.475 -0.958 -0.912 1.00 0.00 H new ATOM 646 N TRP A 44 -5.328 0.839 4.496 1.00 0.00 N ATOM 647 CA TRP A 44 -4.058 1.358 4.990 1.00 0.00 C ATOM 648 C TRP A 44 -3.132 1.723 3.835 1.00 0.00 C ATOM 649 O TRP A 44 -3.428 1.434 2.675 1.00 0.00 O ATOM 650 CB TRP A 44 -3.381 0.328 5.896 1.00 0.00 C ATOM 651 CG TRP A 44 -4.212 -0.057 7.082 1.00 0.00 C ATOM 652 CD1 TRP A 44 -4.540 -1.323 7.477 1.00 0.00 C ATOM 653 CD2 TRP A 44 -4.821 0.830 8.026 1.00 0.00 C ATOM 654 NE1 TRP A 44 -5.317 -1.276 8.609 1.00 0.00 N ATOM 655 CE2 TRP A 44 -5.502 0.033 8.967 1.00 0.00 C ATOM 656 CE3 TRP A 44 -4.855 2.219 8.170 1.00 0.00 C ATOM 657 CZ2 TRP A 44 -6.210 0.582 10.033 1.00 0.00 C ATOM 658 CZ3 TRP A 44 -5.558 2.763 9.229 1.00 0.00 C ATOM 659 CH2 TRP A 44 -6.227 1.945 10.150 1.00 0.00 C ATOM 0 H TRP A 44 -5.527 -0.122 4.773 1.00 0.00 H new ATOM 0 HA TRP A 44 -4.262 2.261 5.566 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.156 -0.565 5.314 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.429 0.730 6.243 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -4.233 -2.228 6.973 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.695 -2.085 9.103 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.341 2.857 7.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.728 -0.046 10.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.592 3.836 9.349 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.766 2.400 10.968 1.00 0.00 H new ATOM 670 N LEU A 45 -2.012 2.360 4.158 1.00 0.00 N ATOM 671 CA LEU A 45 -1.043 2.765 3.146 1.00 0.00 C ATOM 672 C LEU A 45 0.330 2.168 3.437 1.00 0.00 C ATOM 673 O LEU A 45 1.002 2.567 4.388 1.00 0.00 O ATOM 674 CB LEU A 45 -0.946 4.290 3.086 1.00 0.00 C ATOM 675 CG LEU A 45 0.183 4.857 2.224 1.00 0.00 C ATOM 676 CD1 LEU A 45 -0.002 4.454 0.769 1.00 0.00 C ATOM 677 CD2 LEU A 45 0.244 6.372 2.355 1.00 0.00 C ATOM 0 H LEU A 45 -1.752 2.607 5.113 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.385 2.391 2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.893 4.680 2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.825 4.667 4.102 1.00 0.00 H new ATOM 0 HG LEU A 45 1.127 4.443 2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.811 4.867 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.004 3.367 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.954 4.839 0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.053 6.759 1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.702 6.804 2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.425 6.640 3.396 1.00 0.00 H new ATOM 689 N MET A 46 0.741 1.211 2.612 1.00 0.00 N ATOM 690 CA MET A 46 2.036 0.561 2.779 1.00 0.00 C ATOM 691 C MET A 46 3.026 1.042 1.723 1.00 0.00 C ATOM 692 O MET A 46 2.884 0.731 0.540 1.00 0.00 O ATOM 693 CB MET A 46 1.882 -0.959 2.697 1.00 0.00 C ATOM 694 CG MET A 46 3.181 -1.714 2.926 1.00 0.00 C ATOM 695 SD MET A 46 3.621 -1.827 4.671 1.00 0.00 S ATOM 696 CE MET A 46 2.365 -2.958 5.264 1.00 0.00 C ATOM 0 H MET A 46 0.196 0.868 1.821 1.00 0.00 H new ATOM 0 HA MET A 46 2.424 0.827 3.762 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.148 -1.282 3.436 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.485 -1.224 1.717 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.091 -2.718 2.512 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.986 -1.217 2.384 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.772 -2.470 6.037 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.716 -3.247 4.437 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.842 -3.846 5.679 1.00 0.00 H new ATOM 706 N ILE A 47 4.026 1.801 2.158 1.00 0.00 N ATOM 707 CA ILE A 47 5.039 2.323 1.249 1.00 0.00 C ATOM 708 C ILE A 47 6.415 1.750 1.572 1.00 0.00 C ATOM 709 O ILE A 47 6.684 1.357 2.706 1.00 0.00 O ATOM 710 CB ILE A 47 5.108 3.860 1.307 1.00 0.00 C ATOM 711 CG1 ILE A 47 3.724 4.465 1.067 1.00 0.00 C ATOM 712 CG2 ILE A 47 6.106 4.384 0.285 1.00 0.00 C ATOM 713 CD1 ILE A 47 3.683 5.968 1.232 1.00 0.00 C ATOM 0 H ILE A 47 4.156 2.068 3.134 1.00 0.00 H new ATOM 0 HA ILE A 47 4.749 2.018 0.244 1.00 0.00 H new ATOM 0 HB ILE A 47 5.445 4.156 2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.395 4.209 0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.014 4.012 1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.144 5.472 0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.094 3.976 0.499 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.796 4.080 -0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.671 6.327 1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.981 6.231 2.247 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.368 6.431 0.521 1.00 0.00 H new ATOM 725 N ASN A 48 7.283 1.708 0.567 1.00 0.00 N ATOM 726 CA ASN A 48 8.632 1.184 0.744 1.00 0.00 C ATOM 727 C ASN A 48 9.639 1.985 -0.077 1.00 0.00 C ATOM 728 O ASN A 48 9.623 1.946 -1.308 1.00 0.00 O ATOM 729 CB ASN A 48 8.687 -0.290 0.340 1.00 0.00 C ATOM 730 CG ASN A 48 10.084 -0.731 -0.055 1.00 0.00 C ATOM 731 OD1 ASN A 48 10.412 -0.804 -1.239 1.00 0.00 O ATOM 732 ND2 ASN A 48 10.913 -1.027 0.939 1.00 0.00 N ATOM 0 H ASN A 48 7.076 2.030 -0.378 1.00 0.00 H new ATOM 0 HA ASN A 48 8.894 1.275 1.798 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.336 -0.904 1.169 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.006 -0.461 -0.494 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.866 -1.329 0.736 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.597 -0.952 1.906 1.00 0.00 H new ATOM 739 N ILE A 49 10.513 2.711 0.612 1.00 0.00 N ATOM 740 CA ILE A 49 11.527 3.519 -0.052 1.00 0.00 C ATOM 741 C ILE A 49 12.716 2.666 -0.482 1.00 0.00 C ATOM 742 O ILE A 49 13.395 2.068 0.352 1.00 0.00 O ATOM 743 CB ILE A 49 12.027 4.656 0.859 1.00 0.00 C ATOM 744 CG1 ILE A 49 10.847 5.480 1.378 1.00 0.00 C ATOM 745 CG2 ILE A 49 13.010 5.542 0.109 1.00 0.00 C ATOM 746 CD1 ILE A 49 10.141 6.270 0.298 1.00 0.00 C ATOM 0 H ILE A 49 10.539 2.756 1.631 1.00 0.00 H new ATOM 0 HA ILE A 49 11.056 3.952 -0.935 1.00 0.00 H new ATOM 0 HB ILE A 49 12.542 4.217 1.713 1.00 0.00 H new ATOM 0 HG12 ILE A 49 10.130 4.812 1.856 1.00 0.00 H new ATOM 0 HG13 ILE A 49 11.204 6.167 2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 49 13.354 6.341 0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 49 13.863 4.946 -0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 49 12.518 5.975 -0.762 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.316 6.830 0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.844 6.963 -0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.754 5.587 -0.458 1.00 0.00 H new ATOM 758 N GLN A 50 12.961 2.617 -1.787 1.00 0.00 N ATOM 759 CA GLN A 50 14.069 1.837 -2.326 1.00 0.00 C ATOM 760 C GLN A 50 15.179 2.750 -2.837 1.00 0.00 C ATOM 761 O GLN A 50 14.934 3.654 -3.635 1.00 0.00 O ATOM 762 CB GLN A 50 13.579 0.929 -3.456 1.00 0.00 C ATOM 763 CG GLN A 50 12.562 -0.107 -3.005 1.00 0.00 C ATOM 764 CD GLN A 50 12.485 -1.295 -3.944 1.00 0.00 C ATOM 765 OE1 GLN A 50 13.312 -1.445 -4.843 1.00 0.00 O ATOM 766 NE2 GLN A 50 11.487 -2.147 -3.740 1.00 0.00 N ATOM 0 H GLN A 50 12.408 3.107 -2.490 1.00 0.00 H new ATOM 0 HA GLN A 50 14.471 1.220 -1.522 1.00 0.00 H new ATOM 0 HB2 GLN A 50 13.136 1.544 -4.239 1.00 0.00 H new ATOM 0 HB3 GLN A 50 14.435 0.418 -3.898 1.00 0.00 H new ATOM 0 HG2 GLN A 50 12.822 -0.455 -2.005 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.580 0.360 -2.934 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.824 -1.984 -2.982 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.384 -2.965 -4.341 1.00 0.00 H new ATOM 775 N ASN A 51 16.400 2.507 -2.372 1.00 0.00 N ATOM 776 CA ASN A 51 17.547 3.309 -2.781 1.00 0.00 C ATOM 777 C ASN A 51 18.178 2.746 -4.051 1.00 0.00 C ATOM 778 O ASN A 51 18.114 1.545 -4.310 1.00 0.00 O ATOM 779 CB ASN A 51 18.587 3.358 -1.660 1.00 0.00 C ATOM 780 CG ASN A 51 19.479 4.581 -1.752 1.00 0.00 C ATOM 781 OD1 ASN A 51 19.261 5.461 -2.585 1.00 0.00 O ATOM 782 ND2 ASN A 51 20.490 4.642 -0.893 1.00 0.00 N ATOM 0 H ASN A 51 16.621 1.761 -1.712 1.00 0.00 H new ATOM 0 HA ASN A 51 17.197 4.321 -2.987 1.00 0.00 H new ATOM 0 HB2 ASN A 51 18.078 3.354 -0.696 1.00 0.00 H new ATOM 0 HB3 ASN A 51 19.202 2.459 -1.699 1.00 0.00 H new ATOM 0 HD21 ASN A 51 21.123 5.441 -0.907 1.00 0.00 H new ATOM 0 HD22 ASN A 51 20.633 3.890 -0.219 1.00 0.00 H new ATOM 789 N VAL A 52 18.789 3.624 -4.841 1.00 0.00 N ATOM 790 CA VAL A 52 19.434 3.216 -6.083 1.00 0.00 C ATOM 791 C VAL A 52 20.802 2.599 -5.815 1.00 0.00 C ATOM 792 O VAL A 52 21.269 1.750 -6.574 1.00 0.00 O ATOM 793 CB VAL A 52 19.598 4.405 -7.047 1.00 0.00 C ATOM 794 CG1 VAL A 52 18.239 4.938 -7.475 1.00 0.00 C ATOM 795 CG2 VAL A 52 20.431 5.503 -6.402 1.00 0.00 C ATOM 0 H VAL A 52 18.851 4.623 -4.642 1.00 0.00 H new ATOM 0 HA VAL A 52 18.787 2.470 -6.546 1.00 0.00 H new ATOM 0 HB VAL A 52 20.122 4.058 -7.937 1.00 0.00 H new ATOM 0 HG11 VAL A 52 18.376 5.778 -8.156 1.00 0.00 H new ATOM 0 HG12 VAL A 52 17.681 4.149 -7.979 1.00 0.00 H new ATOM 0 HG13 VAL A 52 17.685 5.269 -6.597 1.00 0.00 H new ATOM 0 HG21 VAL A 52 20.537 6.336 -7.098 1.00 0.00 H new ATOM 0 HG22 VAL A 52 19.937 5.849 -5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 52 21.417 5.112 -6.152 1.00 0.00 H new ATOM 892 N CYS A 59 17.067 -7.527 -2.424 1.00 0.00 N ATOM 893 CA CYS A 59 16.670 -8.738 -1.714 1.00 0.00 C ATOM 894 C CYS A 59 15.186 -8.701 -1.363 1.00 0.00 C ATOM 895 O CYS A 59 14.447 -9.645 -1.643 1.00 0.00 O ATOM 896 CB CYS A 59 17.503 -8.905 -0.442 1.00 0.00 C ATOM 897 SG CYS A 59 17.711 -10.622 0.084 1.00 0.00 S ATOM 0 HA CYS A 59 16.848 -9.589 -2.371 1.00 0.00 H new ATOM 0 HB2 CYS A 59 18.487 -8.464 -0.604 1.00 0.00 H new ATOM 0 HB3 CYS A 59 17.031 -8.344 0.365 1.00 0.00 H new ATOM 0 HG CYS A 59 18.431 -10.660 1.166 1.00 0.00 H new ATOM 903 N LEU A 60 14.756 -7.605 -0.748 1.00 0.00 N ATOM 904 CA LEU A 60 13.360 -7.444 -0.357 1.00 0.00 C ATOM 905 C LEU A 60 12.430 -7.716 -1.535 1.00 0.00 C ATOM 906 O LEU A 60 11.674 -8.686 -1.531 1.00 0.00 O ATOM 907 CB LEU A 60 13.120 -6.034 0.183 1.00 0.00 C ATOM 908 CG LEU A 60 13.832 -5.685 1.491 1.00 0.00 C ATOM 909 CD1 LEU A 60 13.459 -6.676 2.582 1.00 0.00 C ATOM 910 CD2 LEU A 60 15.340 -5.657 1.286 1.00 0.00 C ATOM 0 H LEU A 60 15.354 -6.814 -0.509 1.00 0.00 H new ATOM 0 HA LEU A 60 13.142 -8.168 0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 60 13.430 -5.318 -0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 60 12.048 -5.900 0.329 1.00 0.00 H new ATOM 0 HG LEU A 60 13.509 -4.692 1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.975 -6.412 3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.382 -6.647 2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 60 13.752 -7.680 2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 60 15.831 -5.407 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 60 15.680 -6.636 0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 60 15.591 -4.908 0.536 1.00 0.00 H new ATOM 922 N ASN A 61 12.493 -6.852 -2.543 1.00 0.00 N ATOM 923 CA ASN A 61 11.658 -6.999 -3.729 1.00 0.00 C ATOM 924 C ASN A 61 11.823 -8.386 -4.342 1.00 0.00 C ATOM 925 O ASN A 61 11.049 -8.788 -5.211 1.00 0.00 O ATOM 926 CB ASN A 61 12.010 -5.927 -4.763 1.00 0.00 C ATOM 927 CG ASN A 61 10.975 -5.827 -5.867 1.00 0.00 C ATOM 928 OD1 ASN A 61 9.792 -5.330 -5.526 1.00 0.00 O flip ATOM 929 ND2 ASN A 61 11.237 -6.191 -7.013 1.00 0.00 N flip ATOM 0 H ASN A 61 13.114 -6.043 -2.562 1.00 0.00 H new ATOM 0 HA ASN A 61 10.618 -6.876 -3.428 1.00 0.00 H new ATOM 0 HB2 ASN A 61 12.101 -4.962 -4.265 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.983 -6.153 -5.200 1.00 0.00 H new ATOM 0 HD21 ASN A 61 12.160 -6.567 -7.230 1.00 0.00 H new ATOM 0 HD22 ASN A 61 10.531 -6.117 -7.746 1.00 0.00 H new ATOM 936 N ARG A 62 12.837 -9.113 -3.884 1.00 0.00 N ATOM 937 CA ARG A 62 13.105 -10.455 -4.387 1.00 0.00 C ATOM 938 C ARG A 62 12.007 -11.424 -3.960 1.00 0.00 C ATOM 939 O ARG A 62 11.335 -12.025 -4.799 1.00 0.00 O ATOM 940 CB ARG A 62 14.461 -10.950 -3.883 1.00 0.00 C ATOM 941 CG ARG A 62 15.144 -11.924 -4.830 1.00 0.00 C ATOM 942 CD ARG A 62 14.453 -13.278 -4.830 1.00 0.00 C ATOM 943 NE ARG A 62 15.275 -14.312 -5.454 1.00 0.00 N ATOM 944 CZ ARG A 62 16.315 -14.883 -4.858 1.00 0.00 C ATOM 945 NH1 ARG A 62 16.659 -14.523 -3.629 1.00 0.00 N ATOM 946 NH2 ARG A 62 17.014 -15.817 -5.491 1.00 0.00 N ATOM 0 H ARG A 62 13.487 -8.795 -3.165 1.00 0.00 H new ATOM 0 HA ARG A 62 13.124 -10.411 -5.476 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.115 -10.093 -3.723 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.325 -11.432 -2.915 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.142 -11.513 -5.840 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.187 -12.047 -4.538 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.223 -13.568 -3.805 1.00 0.00 H new ATOM 0 HD3 ARG A 62 13.504 -13.201 -5.360 1.00 0.00 H new ATOM 0 HE ARG A 62 15.037 -14.612 -6.399 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.124 -13.806 -3.139 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.458 -14.963 -3.174 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.752 -16.097 -6.436 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.813 -16.255 -5.032 1.00 0.00 H new ATOM 960 N ASP A 63 11.831 -11.572 -2.652 1.00 0.00 N ATOM 961 CA ASP A 63 10.814 -12.468 -2.114 1.00 0.00 C ATOM 962 C ASP A 63 9.785 -11.694 -1.297 1.00 0.00 C ATOM 963 O ASP A 63 8.594 -12.006 -1.322 1.00 0.00 O ATOM 964 CB ASP A 63 11.463 -13.549 -1.247 1.00 0.00 C ATOM 965 CG ASP A 63 12.464 -14.386 -2.019 1.00 0.00 C ATOM 966 OD1 ASP A 63 12.261 -14.582 -3.235 1.00 0.00 O ATOM 967 OD2 ASP A 63 13.451 -14.844 -1.406 1.00 0.00 O ATOM 0 H ASP A 63 12.379 -11.083 -1.944 1.00 0.00 H new ATOM 0 HA ASP A 63 10.304 -12.943 -2.952 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.963 -13.080 -0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.688 -14.198 -0.840 1.00 0.00 H new ATOM 972 N VAL A 64 10.252 -10.682 -0.571 1.00 0.00 N ATOM 973 CA VAL A 64 9.372 -9.863 0.254 1.00 0.00 C ATOM 974 C VAL A 64 8.246 -9.258 -0.577 1.00 0.00 C ATOM 975 O VAL A 64 7.084 -9.644 -0.441 1.00 0.00 O ATOM 976 CB VAL A 64 10.149 -8.729 0.948 1.00 0.00 C ATOM 977 CG1 VAL A 64 9.230 -7.933 1.862 1.00 0.00 C ATOM 978 CG2 VAL A 64 11.331 -9.290 1.724 1.00 0.00 C ATOM 0 H VAL A 64 11.235 -10.410 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 64 8.947 -10.520 1.013 1.00 0.00 H new ATOM 0 HB VAL A 64 10.533 -8.055 0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.797 -7.136 2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.420 -7.499 1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.813 -8.593 2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.869 -8.475 2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.971 -9.987 2.481 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.001 -9.811 1.040 1.00 0.00 H new ATOM 988 N TRP A 65 8.596 -8.310 -1.438 1.00 0.00 N ATOM 989 CA TRP A 65 7.614 -7.651 -2.292 1.00 0.00 C ATOM 990 C TRP A 65 7.299 -8.504 -3.516 1.00 0.00 C ATOM 991 O TRP A 65 6.721 -8.019 -4.489 1.00 0.00 O ATOM 992 CB TRP A 65 8.127 -6.278 -2.729 1.00 0.00 C ATOM 993 CG TRP A 65 8.973 -5.602 -1.693 1.00 0.00 C ATOM 994 CD1 TRP A 65 10.190 -5.013 -1.885 1.00 0.00 C ATOM 995 CD2 TRP A 65 8.665 -5.448 -0.303 1.00 0.00 C ATOM 996 NE1 TRP A 65 10.657 -4.502 -0.698 1.00 0.00 N ATOM 997 CE2 TRP A 65 9.740 -4.755 0.287 1.00 0.00 C ATOM 998 CE3 TRP A 65 7.585 -5.826 0.500 1.00 0.00 C ATOM 999 CZ2 TRP A 65 9.765 -4.435 1.642 1.00 0.00 C ATOM 1000 CZ3 TRP A 65 7.612 -5.508 1.844 1.00 0.00 C ATOM 1001 CH2 TRP A 65 8.694 -4.817 2.405 1.00 0.00 C ATOM 0 H TRP A 65 9.553 -7.980 -1.564 1.00 0.00 H new ATOM 0 HA TRP A 65 6.697 -7.521 -1.717 1.00 0.00 H new ATOM 0 HB2 TRP A 65 8.707 -6.390 -3.645 1.00 0.00 H new ATOM 0 HB3 TRP A 65 7.276 -5.639 -2.966 1.00 0.00 H new ATOM 0 HD1 TRP A 65 10.709 -4.957 -2.830 1.00 0.00 H new ATOM 0 HE1 TRP A 65 11.543 -4.013 -0.571 1.00 0.00 H new ATOM 0 HE3 TRP A 65 6.745 -6.357 0.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 10.600 -3.904 2.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 6.784 -5.797 2.474 1.00 0.00 H new ATOM 0 HH2 TRP A 65 8.683 -4.581 3.459 1.00 0.00 H new ATOM 1012 N SER A 66 7.682 -9.775 -3.461 1.00 0.00 N ATOM 1013 CA SER A 66 7.444 -10.694 -4.568 1.00 0.00 C ATOM 1014 C SER A 66 6.411 -11.750 -4.184 1.00 0.00 C ATOM 1015 O SER A 66 5.600 -12.169 -5.008 1.00 0.00 O ATOM 1016 CB SER A 66 8.750 -11.370 -4.988 1.00 0.00 C ATOM 1017 OG SER A 66 8.551 -12.207 -6.114 1.00 0.00 O ATOM 0 H SER A 66 8.159 -10.192 -2.662 1.00 0.00 H new ATOM 0 HA SER A 66 7.055 -10.119 -5.408 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.497 -10.612 -5.222 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.142 -11.958 -4.158 1.00 0.00 H new ATOM 0 HG SER A 66 9.419 -12.500 -6.462 1.00 0.00 H new ATOM 1023 N ASN A 67 6.450 -12.176 -2.926 1.00 0.00 N ATOM 1024 CA ASN A 67 5.519 -13.184 -2.431 1.00 0.00 C ATOM 1025 C ASN A 67 4.075 -12.762 -2.687 1.00 0.00 C ATOM 1026 O ASN A 67 3.626 -11.724 -2.202 1.00 0.00 O ATOM 1027 CB ASN A 67 5.736 -13.418 -0.935 1.00 0.00 C ATOM 1028 CG ASN A 67 5.283 -14.797 -0.494 1.00 0.00 C ATOM 1029 OD1 ASN A 67 4.087 -15.087 -0.456 1.00 0.00 O ATOM 1030 ND2 ASN A 67 6.240 -15.654 -0.159 1.00 0.00 N ATOM 0 H ASN A 67 7.116 -11.839 -2.231 1.00 0.00 H new ATOM 0 HA ASN A 67 5.709 -14.113 -2.968 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.793 -13.293 -0.700 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.192 -12.662 -0.369 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.997 -16.597 0.145 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.218 -15.370 -0.206 1.00 0.00 H new ATOM 1037 N GLU A 68 3.353 -13.576 -3.451 1.00 0.00 N ATOM 1038 CA GLU A 68 1.960 -13.287 -3.771 1.00 0.00 C ATOM 1039 C GLU A 68 1.185 -12.889 -2.518 1.00 0.00 C ATOM 1040 O GLU A 68 0.504 -11.865 -2.495 1.00 0.00 O ATOM 1041 CB GLU A 68 1.301 -14.502 -4.427 1.00 0.00 C ATOM 1042 CG GLU A 68 1.287 -15.738 -3.543 1.00 0.00 C ATOM 1043 CD GLU A 68 1.184 -17.024 -4.340 1.00 0.00 C ATOM 1044 OE1 GLU A 68 2.239 -17.553 -4.749 1.00 0.00 O ATOM 1045 OE2 GLU A 68 0.050 -17.501 -4.554 1.00 0.00 O ATOM 0 H GLU A 68 3.709 -14.440 -3.859 1.00 0.00 H new ATOM 0 HA GLU A 68 1.941 -12.451 -4.470 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.276 -14.247 -4.697 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.827 -14.734 -5.353 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.195 -15.760 -2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.447 -15.676 -2.851 1.00 0.00 H new ATOM 1052 N ALA A 69 1.295 -13.708 -1.477 1.00 0.00 N ATOM 1053 CA ALA A 69 0.606 -13.443 -0.220 1.00 0.00 C ATOM 1054 C ALA A 69 0.771 -11.986 0.199 1.00 0.00 C ATOM 1055 O ALA A 69 -0.208 -11.295 0.480 1.00 0.00 O ATOM 1056 CB ALA A 69 1.123 -14.369 0.871 1.00 0.00 C ATOM 0 H ALA A 69 1.855 -14.561 -1.479 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.457 -13.633 -0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.600 -14.160 1.804 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.949 -15.405 0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.192 -14.206 1.010 1.00 0.00 H new ATOM 1062 N VAL A 70 2.017 -11.524 0.240 1.00 0.00 N ATOM 1063 CA VAL A 70 2.311 -10.148 0.625 1.00 0.00 C ATOM 1064 C VAL A 70 1.604 -9.158 -0.294 1.00 0.00 C ATOM 1065 O VAL A 70 1.034 -8.168 0.163 1.00 0.00 O ATOM 1066 CB VAL A 70 3.825 -9.868 0.596 1.00 0.00 C ATOM 1067 CG1 VAL A 70 4.105 -8.410 0.925 1.00 0.00 C ATOM 1068 CG2 VAL A 70 4.556 -10.791 1.560 1.00 0.00 C ATOM 0 H VAL A 70 2.839 -12.082 0.011 1.00 0.00 H new ATOM 0 HA VAL A 70 1.945 -10.019 1.644 1.00 0.00 H new ATOM 0 HB VAL A 70 4.194 -10.065 -0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.180 -8.231 0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.613 -7.771 0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.723 -8.182 1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.625 -10.579 1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.185 -10.628 2.572 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.382 -11.828 1.273 1.00 0.00 H new ATOM 1078 N LYS A 71 1.645 -9.433 -1.594 1.00 0.00 N ATOM 1079 CA LYS A 71 1.008 -8.568 -2.579 1.00 0.00 C ATOM 1080 C LYS A 71 -0.498 -8.495 -2.346 1.00 0.00 C ATOM 1081 O LYS A 71 -1.072 -7.409 -2.274 1.00 0.00 O ATOM 1082 CB LYS A 71 1.291 -9.078 -3.995 1.00 0.00 C ATOM 1083 CG LYS A 71 2.739 -8.915 -4.421 1.00 0.00 C ATOM 1084 CD LYS A 71 3.065 -9.776 -5.630 1.00 0.00 C ATOM 1085 CE LYS A 71 4.303 -9.272 -6.356 1.00 0.00 C ATOM 1086 NZ LYS A 71 4.108 -7.898 -6.896 1.00 0.00 N ATOM 0 H LYS A 71 2.113 -10.249 -1.989 1.00 0.00 H new ATOM 0 HA LYS A 71 1.424 -7.567 -2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.020 -10.132 -4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.652 -8.545 -4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.935 -7.869 -4.655 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.395 -9.185 -3.594 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.223 -10.807 -5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.217 -9.780 -6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.152 -9.276 -5.672 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.547 -9.952 -7.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.745 -7.749 -7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.122 -7.784 -7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.320 -7.200 -6.155 1.00 0.00 H new ATOM 1100 N ASN A 72 -1.131 -9.657 -2.227 1.00 0.00 N ATOM 1101 CA ASN A 72 -2.570 -9.724 -2.000 1.00 0.00 C ATOM 1102 C ASN A 72 -2.963 -8.932 -0.757 1.00 0.00 C ATOM 1103 O ASN A 72 -4.081 -8.425 -0.659 1.00 0.00 O ATOM 1104 CB ASN A 72 -3.017 -11.180 -1.853 1.00 0.00 C ATOM 1105 CG ASN A 72 -2.657 -12.021 -3.063 1.00 0.00 C ATOM 1106 OD1 ASN A 72 -2.511 -11.504 -4.171 1.00 0.00 O ATOM 1107 ND2 ASN A 72 -2.513 -13.324 -2.855 1.00 0.00 N ATOM 0 H ASN A 72 -0.670 -10.565 -2.284 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.069 -9.283 -2.863 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.556 -11.611 -0.964 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.096 -11.212 -1.700 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.272 -13.941 -3.631 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.644 -13.709 -1.919 1.00 0.00 H new ATOM 1114 N ILE A 73 -2.036 -8.829 0.189 1.00 0.00 N ATOM 1115 CA ILE A 73 -2.284 -8.096 1.425 1.00 0.00 C ATOM 1116 C ILE A 73 -2.029 -6.604 1.240 1.00 0.00 C ATOM 1117 O ILE A 73 -2.834 -5.771 1.657 1.00 0.00 O ATOM 1118 CB ILE A 73 -1.403 -8.618 2.575 1.00 0.00 C ATOM 1119 CG1 ILE A 73 -1.749 -10.075 2.891 1.00 0.00 C ATOM 1120 CG2 ILE A 73 -1.574 -7.747 3.810 1.00 0.00 C ATOM 1121 CD1 ILE A 73 -0.654 -10.809 3.632 1.00 0.00 C ATOM 0 H ILE A 73 -1.106 -9.244 0.124 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.332 -8.254 1.681 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.359 -8.572 2.264 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.661 -10.102 3.487 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.961 -10.600 1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.945 -8.129 4.614 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.283 -6.723 3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.617 -7.764 4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.968 -11.835 3.822 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.254 -10.813 3.029 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.457 -10.308 4.580 1.00 0.00 H new ATOM 1133 N ILE A 74 -0.906 -6.275 0.612 1.00 0.00 N ATOM 1134 CA ILE A 74 -0.546 -4.883 0.370 1.00 0.00 C ATOM 1135 C ILE A 74 -1.425 -4.269 -0.715 1.00 0.00 C ATOM 1136 O ILE A 74 -1.354 -3.069 -0.980 1.00 0.00 O ATOM 1137 CB ILE A 74 0.931 -4.747 -0.044 1.00 0.00 C ATOM 1138 CG1 ILE A 74 1.845 -5.263 1.070 1.00 0.00 C ATOM 1139 CG2 ILE A 74 1.257 -3.299 -0.376 1.00 0.00 C ATOM 1140 CD1 ILE A 74 3.298 -5.359 0.663 1.00 0.00 C ATOM 0 H ILE A 74 -0.229 -6.953 0.261 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.703 -4.349 1.307 1.00 0.00 H new ATOM 0 HB ILE A 74 1.100 -5.350 -0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.761 -4.603 1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.499 -6.247 1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.304 -3.219 -0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.626 -2.963 -1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.075 -2.675 0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.887 -5.731 1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.395 -6.042 -0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.661 -4.373 0.375 1.00 0.00 H new ATOM 1152 N ARG A 75 -2.255 -5.100 -1.337 1.00 0.00 N ATOM 1153 CA ARG A 75 -3.149 -4.639 -2.392 1.00 0.00 C ATOM 1154 C ARG A 75 -4.585 -4.544 -1.886 1.00 0.00 C ATOM 1155 O ARG A 75 -5.356 -3.696 -2.334 1.00 0.00 O ATOM 1156 CB ARG A 75 -3.082 -5.583 -3.594 1.00 0.00 C ATOM 1157 CG ARG A 75 -4.001 -6.788 -3.474 1.00 0.00 C ATOM 1158 CD ARG A 75 -3.992 -7.625 -4.744 1.00 0.00 C ATOM 1159 NE ARG A 75 -4.763 -8.856 -4.594 1.00 0.00 N ATOM 1160 CZ ARG A 75 -6.071 -8.934 -4.812 1.00 0.00 C ATOM 1161 NH1 ARG A 75 -6.750 -7.859 -5.187 1.00 0.00 N ATOM 1162 NH2 ARG A 75 -6.703 -10.090 -4.654 1.00 0.00 N ATOM 0 H ARG A 75 -2.327 -6.096 -1.128 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.825 -3.645 -2.700 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.340 -5.028 -4.496 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.056 -5.930 -3.716 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.688 -7.403 -2.630 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.017 -6.453 -3.265 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.401 -7.039 -5.567 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.964 -7.871 -5.008 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.271 -9.702 -4.306 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.268 -6.968 -5.309 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.754 -7.923 -5.354 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.184 -10.919 -4.365 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.707 -10.149 -4.822 1.00 0.00 H new ATOM 1176 N GLU A 76 -4.936 -5.420 -0.949 1.00 0.00 N ATOM 1177 CA GLU A 76 -6.279 -5.434 -0.383 1.00 0.00 C ATOM 1178 C GLU A 76 -6.324 -4.663 0.933 1.00 0.00 C ATOM 1179 O GLU A 76 -7.178 -3.797 1.130 1.00 0.00 O ATOM 1180 CB GLU A 76 -6.747 -6.874 -0.159 1.00 0.00 C ATOM 1181 CG GLU A 76 -8.147 -6.975 0.422 1.00 0.00 C ATOM 1182 CD GLU A 76 -8.482 -8.377 0.895 1.00 0.00 C ATOM 1183 OE1 GLU A 76 -8.361 -9.321 0.087 1.00 0.00 O ATOM 1184 OE2 GLU A 76 -8.866 -8.529 2.073 1.00 0.00 O ATOM 0 H GLU A 76 -4.309 -6.128 -0.567 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.949 -4.947 -1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.717 -7.409 -1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.048 -7.374 0.511 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.241 -6.281 1.258 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.872 -6.666 -0.331 1.00 0.00 H new ATOM 1191 N HIS A 77 -5.398 -4.983 1.832 1.00 0.00 N ATOM 1192 CA HIS A 77 -5.331 -4.321 3.129 1.00 0.00 C ATOM 1193 C HIS A 77 -4.680 -2.947 3.005 1.00 0.00 C ATOM 1194 O HIS A 77 -5.236 -1.942 3.449 1.00 0.00 O ATOM 1195 CB HIS A 77 -4.550 -5.180 4.124 1.00 0.00 C ATOM 1196 CG HIS A 77 -5.258 -6.442 4.510 1.00 0.00 C ATOM 1197 ND1 HIS A 77 -4.981 -7.736 4.224 1.00 0.00 N flip ATOM 1198 CD2 HIS A 77 -6.400 -6.459 5.283 1.00 0.00 C flip ATOM 1199 CE1 HIS A 77 -5.949 -8.503 4.823 1.00 0.00 C flip ATOM 1200 NE2 HIS A 77 -6.793 -7.708 5.456 1.00 0.00 N flip ATOM 0 H HIS A 77 -4.684 -5.697 1.685 1.00 0.00 H new ATOM 0 HA HIS A 77 -6.349 -4.189 3.495 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.582 -5.434 3.691 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.354 -4.594 5.022 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -6.895 -5.587 5.684 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -6.011 -9.581 4.783 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -7.610 -8.008 5.988 1.00 0.00 H new ATOM 1209 N PHE A 78 -3.497 -2.910 2.399 1.00 0.00 N ATOM 1210 CA PHE A 78 -2.769 -1.660 2.218 1.00 0.00 C ATOM 1211 C PHE A 78 -2.755 -1.247 0.749 1.00 0.00 C ATOM 1212 O PHE A 78 -3.285 -1.952 -0.110 1.00 0.00 O ATOM 1213 CB PHE A 78 -1.336 -1.801 2.734 1.00 0.00 C ATOM 1214 CG PHE A 78 -1.254 -2.272 4.158 1.00 0.00 C ATOM 1215 CD1 PHE A 78 -1.605 -3.570 4.493 1.00 0.00 C ATOM 1216 CD2 PHE A 78 -0.828 -1.417 5.161 1.00 0.00 C ATOM 1217 CE1 PHE A 78 -1.531 -4.007 5.802 1.00 0.00 C ATOM 1218 CE2 PHE A 78 -0.751 -1.849 6.472 1.00 0.00 C ATOM 1219 CZ PHE A 78 -1.104 -3.145 6.793 1.00 0.00 C ATOM 0 H PHE A 78 -3.023 -3.732 2.025 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.279 -0.885 2.790 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.796 -2.501 2.097 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.831 -0.839 2.649 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.940 -4.248 3.722 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.553 -0.402 4.916 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.807 -5.021 6.050 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.415 -1.173 7.245 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.046 -3.484 7.817 1.00 0.00 H new ATOM 1229 N ILE A 79 -2.147 -0.099 0.470 1.00 0.00 N ATOM 1230 CA ILE A 79 -2.063 0.408 -0.894 1.00 0.00 C ATOM 1231 C ILE A 79 -0.653 0.252 -1.453 1.00 0.00 C ATOM 1232 O ILE A 79 0.250 1.016 -1.112 1.00 0.00 O ATOM 1233 CB ILE A 79 -2.471 1.891 -0.969 1.00 0.00 C ATOM 1234 CG1 ILE A 79 -3.904 2.074 -0.465 1.00 0.00 C ATOM 1235 CG2 ILE A 79 -2.336 2.406 -2.394 1.00 0.00 C ATOM 1236 CD1 ILE A 79 -4.928 1.290 -1.255 1.00 0.00 C ATOM 0 H ILE A 79 -1.706 0.497 1.170 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.756 -0.182 -1.493 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.804 2.469 -0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.954 1.771 0.581 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.161 3.133 -0.502 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.628 3.456 -2.431 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.301 2.306 -2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.982 1.826 -3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.921 1.468 -0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.906 1.610 -2.297 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.696 0.227 -1.197 1.00 0.00 H new ATOM 1248 N PHE A 80 -0.472 -0.742 -2.316 1.00 0.00 N ATOM 1249 CA PHE A 80 0.829 -0.999 -2.924 1.00 0.00 C ATOM 1250 C PHE A 80 1.394 0.270 -3.556 1.00 0.00 C ATOM 1251 O PHE A 80 0.946 0.698 -4.620 1.00 0.00 O ATOM 1252 CB PHE A 80 0.713 -2.100 -3.980 1.00 0.00 C ATOM 1253 CG PHE A 80 2.033 -2.712 -4.356 1.00 0.00 C ATOM 1254 CD1 PHE A 80 2.705 -3.539 -3.470 1.00 0.00 C ATOM 1255 CD2 PHE A 80 2.601 -2.461 -5.594 1.00 0.00 C ATOM 1256 CE1 PHE A 80 3.919 -4.102 -3.812 1.00 0.00 C ATOM 1257 CE2 PHE A 80 3.815 -3.022 -5.942 1.00 0.00 C ATOM 1258 CZ PHE A 80 4.474 -3.845 -5.050 1.00 0.00 C ATOM 0 H PHE A 80 -1.209 -1.383 -2.610 1.00 0.00 H new ATOM 0 HA PHE A 80 1.511 -1.328 -2.139 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.052 -2.882 -3.607 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.245 -1.687 -4.874 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.275 -3.746 -2.501 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.089 -1.819 -6.296 1.00 0.00 H new ATOM 0 HE1 PHE A 80 4.434 -4.743 -3.112 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.248 -2.817 -6.910 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.422 -4.287 -5.320 1.00 0.00 H new ATOM 1268 N TRP A 81 2.378 0.865 -2.893 1.00 0.00 N ATOM 1269 CA TRP A 81 3.004 2.086 -3.389 1.00 0.00 C ATOM 1270 C TRP A 81 4.504 2.080 -3.111 1.00 0.00 C ATOM 1271 O TRP A 81 4.929 2.102 -1.957 1.00 0.00 O ATOM 1272 CB TRP A 81 2.358 3.313 -2.744 1.00 0.00 C ATOM 1273 CG TRP A 81 2.421 4.538 -3.605 1.00 0.00 C ATOM 1274 CD1 TRP A 81 1.883 4.693 -4.851 1.00 0.00 C ATOM 1275 CD2 TRP A 81 3.058 5.780 -3.284 1.00 0.00 C ATOM 1276 NE1 TRP A 81 2.148 5.955 -5.324 1.00 0.00 N ATOM 1277 CE2 TRP A 81 2.866 6.642 -4.381 1.00 0.00 C ATOM 1278 CE3 TRP A 81 3.769 6.248 -2.176 1.00 0.00 C ATOM 1279 CZ2 TRP A 81 3.362 7.943 -4.401 1.00 0.00 C ATOM 1280 CZ3 TRP A 81 4.261 7.539 -2.197 1.00 0.00 C ATOM 1281 CH2 TRP A 81 4.055 8.375 -3.303 1.00 0.00 C ATOM 0 H TRP A 81 2.760 0.523 -2.011 1.00 0.00 H new ATOM 0 HA TRP A 81 2.853 2.130 -4.468 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.315 3.089 -2.518 1.00 0.00 H new ATOM 0 HB3 TRP A 81 2.853 3.519 -1.795 1.00 0.00 H new ATOM 0 HD1 TRP A 81 1.330 3.935 -5.386 1.00 0.00 H new ATOM 0 HE1 TRP A 81 1.857 6.321 -6.230 1.00 0.00 H new ATOM 0 HE3 TRP A 81 3.931 5.612 -1.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 3.205 8.588 -5.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 4.814 7.910 -1.347 1.00 0.00 H new ATOM 0 HH2 TRP A 81 4.451 9.380 -3.288 1.00 0.00 H new ATOM 1292 N GLN A 82 5.298 2.051 -4.176 1.00 0.00 N ATOM 1293 CA GLN A 82 6.750 2.041 -4.045 1.00 0.00 C ATOM 1294 C GLN A 82 7.376 3.180 -4.844 1.00 0.00 C ATOM 1295 O GLN A 82 7.145 3.309 -6.046 1.00 0.00 O ATOM 1296 CB GLN A 82 7.318 0.701 -4.514 1.00 0.00 C ATOM 1297 CG GLN A 82 8.834 0.684 -4.616 1.00 0.00 C ATOM 1298 CD GLN A 82 9.349 -0.454 -5.476 1.00 0.00 C ATOM 1299 OE1 GLN A 82 9.020 -1.682 -5.091 1.00 0.00 O flip ATOM 1300 NE2 GLN A 82 10.035 -0.232 -6.474 1.00 0.00 N flip ATOM 0 H GLN A 82 4.961 2.034 -5.138 1.00 0.00 H new ATOM 0 HA GLN A 82 6.995 2.182 -2.992 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.000 -0.080 -3.824 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.894 0.457 -5.488 1.00 0.00 H new ATOM 0 HG2 GLN A 82 9.177 1.632 -5.031 1.00 0.00 H new ATOM 0 HG3 GLN A 82 9.261 0.601 -3.616 1.00 0.00 H new ATOM 0 HE21 GLN A 82 10.264 0.728 -6.733 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.375 -1.008 -7.042 1.00 0.00 H new ATOM 1309 N VAL A 83 8.170 4.004 -4.167 1.00 0.00 N ATOM 1310 CA VAL A 83 8.830 5.132 -4.814 1.00 0.00 C ATOM 1311 C VAL A 83 10.263 5.288 -4.318 1.00 0.00 C ATOM 1312 O VAL A 83 10.635 4.742 -3.279 1.00 0.00 O ATOM 1313 CB VAL A 83 8.067 6.447 -4.567 1.00 0.00 C ATOM 1314 CG1 VAL A 83 6.716 6.420 -5.265 1.00 0.00 C ATOM 1315 CG2 VAL A 83 7.900 6.692 -3.075 1.00 0.00 C ATOM 0 H VAL A 83 8.372 3.912 -3.171 1.00 0.00 H new ATOM 0 HA VAL A 83 8.839 4.922 -5.884 1.00 0.00 H new ATOM 0 HB VAL A 83 8.648 7.269 -4.985 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.192 7.357 -5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.863 6.293 -6.338 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.124 5.590 -4.879 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.359 7.625 -2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.340 5.869 -2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.881 6.758 -2.605 1.00 0.00 H new ATOM 1325 N TYR A 84 11.065 6.037 -5.068 1.00 0.00 N ATOM 1326 CA TYR A 84 12.459 6.264 -4.706 1.00 0.00 C ATOM 1327 C TYR A 84 12.604 7.528 -3.864 1.00 0.00 C ATOM 1328 O TYR A 84 11.741 8.406 -3.888 1.00 0.00 O ATOM 1329 CB TYR A 84 13.323 6.372 -5.963 1.00 0.00 C ATOM 1330 CG TYR A 84 13.534 5.052 -6.669 1.00 0.00 C ATOM 1331 CD1 TYR A 84 12.456 4.246 -7.013 1.00 0.00 C ATOM 1332 CD2 TYR A 84 14.811 4.611 -6.993 1.00 0.00 C ATOM 1333 CE1 TYR A 84 12.644 3.038 -7.658 1.00 0.00 C ATOM 1334 CE2 TYR A 84 15.009 3.406 -7.639 1.00 0.00 C ATOM 1335 CZ TYR A 84 13.922 2.623 -7.968 1.00 0.00 C ATOM 1336 OH TYR A 84 14.114 1.421 -8.611 1.00 0.00 O ATOM 0 H TYR A 84 10.773 6.497 -5.930 1.00 0.00 H new ATOM 0 HA TYR A 84 12.797 5.414 -4.113 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.857 7.074 -6.655 1.00 0.00 H new ATOM 0 HB3 TYR A 84 14.293 6.788 -5.692 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.454 4.569 -6.772 1.00 0.00 H new ATOM 0 HD2 TYR A 84 15.664 5.221 -6.735 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.795 2.423 -7.918 1.00 0.00 H new ATOM 0 HE2 TYR A 84 16.009 3.079 -7.885 1.00 0.00 H new ATOM 0 HH TYR A 84 15.072 1.278 -8.757 1.00 0.00 H new ATOM 1346 N HIS A 85 13.703 7.613 -3.122 1.00 0.00 N ATOM 1347 CA HIS A 85 13.964 8.770 -2.273 1.00 0.00 C ATOM 1348 C HIS A 85 14.157 10.028 -3.113 1.00 0.00 C ATOM 1349 O HIS A 85 13.568 11.072 -2.830 1.00 0.00 O ATOM 1350 CB HIS A 85 15.201 8.526 -1.408 1.00 0.00 C ATOM 1351 CG HIS A 85 16.491 8.822 -2.110 1.00 0.00 C ATOM 1352 ND1 HIS A 85 17.044 7.981 -3.053 1.00 0.00 N ATOM 1353 CD2 HIS A 85 17.336 9.874 -2.004 1.00 0.00 C ATOM 1354 CE1 HIS A 85 18.175 8.503 -3.495 1.00 0.00 C ATOM 1355 NE2 HIS A 85 18.374 9.651 -2.874 1.00 0.00 N ATOM 0 H HIS A 85 14.427 6.895 -3.091 1.00 0.00 H new ATOM 0 HA HIS A 85 13.100 8.916 -1.625 1.00 0.00 H new ATOM 0 HB2 HIS A 85 15.135 9.143 -0.512 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.206 7.487 -1.080 1.00 0.00 H new ATOM 0 HD2 HIS A 85 17.216 10.729 -1.356 1.00 0.00 H new ATOM 0 HE1 HIS A 85 18.826 8.065 -4.238 1.00 0.00 H new ATOM 0 HE2 HIS A 85 19.170 10.272 -3.018 1.00 0.00 H new ATOM 1364 N ASP A 86 14.985 9.922 -4.147 1.00 0.00 N ATOM 1365 CA ASP A 86 15.255 11.052 -5.029 1.00 0.00 C ATOM 1366 C ASP A 86 13.962 11.590 -5.634 1.00 0.00 C ATOM 1367 O ASP A 86 13.716 12.796 -5.625 1.00 0.00 O ATOM 1368 CB ASP A 86 16.220 10.638 -6.141 1.00 0.00 C ATOM 1369 CG ASP A 86 17.647 10.497 -5.647 1.00 0.00 C ATOM 1370 OD1 ASP A 86 18.105 11.385 -4.899 1.00 0.00 O ATOM 1371 OD2 ASP A 86 18.305 9.499 -6.010 1.00 0.00 O ATOM 0 H ASP A 86 15.481 9.066 -4.395 1.00 0.00 H new ATOM 0 HA ASP A 86 15.714 11.843 -4.436 1.00 0.00 H new ATOM 0 HB2 ASP A 86 15.892 9.691 -6.569 1.00 0.00 H new ATOM 0 HB3 ASP A 86 16.187 11.378 -6.941 1.00 0.00 H new ATOM 1376 N SER A 87 13.141 10.687 -6.162 1.00 0.00 N ATOM 1377 CA SER A 87 11.876 11.072 -6.776 1.00 0.00 C ATOM 1378 C SER A 87 11.047 11.928 -5.823 1.00 0.00 C ATOM 1379 O SER A 87 10.813 11.549 -4.676 1.00 0.00 O ATOM 1380 CB SER A 87 11.083 9.828 -7.182 1.00 0.00 C ATOM 1381 OG SER A 87 10.596 9.139 -6.044 1.00 0.00 O ATOM 0 H SER A 87 13.329 9.685 -6.177 1.00 0.00 H new ATOM 0 HA SER A 87 12.097 11.661 -7.666 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.248 10.118 -7.820 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.718 9.164 -7.769 1.00 0.00 H new ATOM 0 HG SER A 87 11.326 9.009 -5.403 1.00 0.00 H new ATOM 1387 N GLU A 88 10.607 13.085 -6.308 1.00 0.00 N ATOM 1388 CA GLU A 88 9.805 13.995 -5.500 1.00 0.00 C ATOM 1389 C GLU A 88 8.925 13.223 -4.521 1.00 0.00 C ATOM 1390 O GLU A 88 8.729 13.644 -3.382 1.00 0.00 O ATOM 1391 CB GLU A 88 8.935 14.879 -6.397 1.00 0.00 C ATOM 1392 CG GLU A 88 8.594 16.224 -5.780 1.00 0.00 C ATOM 1393 CD GLU A 88 9.756 17.198 -5.823 1.00 0.00 C ATOM 1394 OE1 GLU A 88 10.865 16.816 -5.395 1.00 0.00 O ATOM 1395 OE2 GLU A 88 9.556 18.341 -6.285 1.00 0.00 O ATOM 0 H GLU A 88 10.792 13.414 -7.256 1.00 0.00 H new ATOM 0 HA GLU A 88 10.485 14.627 -4.929 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.452 15.043 -7.342 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.010 14.350 -6.627 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.743 16.656 -6.307 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.286 16.077 -4.745 1.00 0.00 H new ATOM 1402 N GLU A 89 8.397 12.091 -4.976 1.00 0.00 N ATOM 1403 CA GLU A 89 7.536 11.261 -4.141 1.00 0.00 C ATOM 1404 C GLU A 89 8.233 10.897 -2.834 1.00 0.00 C ATOM 1405 O GLU A 89 7.723 11.172 -1.748 1.00 0.00 O ATOM 1406 CB GLU A 89 7.137 9.988 -4.890 1.00 0.00 C ATOM 1407 CG GLU A 89 6.250 10.244 -6.097 1.00 0.00 C ATOM 1408 CD GLU A 89 7.047 10.530 -7.355 1.00 0.00 C ATOM 1409 OE1 GLU A 89 7.761 9.619 -7.825 1.00 0.00 O ATOM 1410 OE2 GLU A 89 6.957 11.664 -7.870 1.00 0.00 O ATOM 0 H GLU A 89 8.550 11.728 -5.917 1.00 0.00 H new ATOM 0 HA GLU A 89 6.638 11.833 -3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 89 8.039 9.471 -5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.617 9.320 -4.203 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.612 9.377 -6.265 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.593 11.088 -5.888 1.00 0.00 H new ATOM 1417 N GLY A 90 9.404 10.276 -2.946 1.00 0.00 N ATOM 1418 CA GLY A 90 10.152 9.884 -1.766 1.00 0.00 C ATOM 1419 C GLY A 90 10.401 11.046 -0.825 1.00 0.00 C ATOM 1420 O GLY A 90 10.221 10.921 0.386 1.00 0.00 O ATOM 0 H GLY A 90 9.847 10.038 -3.833 1.00 0.00 H new ATOM 0 HA2 GLY A 90 9.607 9.102 -1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.107 9.456 -2.071 1.00 0.00 H new ATOM 1424 N GLN A 91 10.819 12.178 -1.383 1.00 0.00 N ATOM 1425 CA GLN A 91 11.095 13.366 -0.584 1.00 0.00 C ATOM 1426 C GLN A 91 9.940 13.664 0.367 1.00 0.00 C ATOM 1427 O GLN A 91 10.114 13.677 1.586 1.00 0.00 O ATOM 1428 CB GLN A 91 11.347 14.571 -1.492 1.00 0.00 C ATOM 1429 CG GLN A 91 12.631 14.466 -2.300 1.00 0.00 C ATOM 1430 CD GLN A 91 13.830 15.034 -1.567 1.00 0.00 C ATOM 1431 OE1 GLN A 91 14.014 16.249 -1.503 1.00 0.00 O ATOM 1432 NE2 GLN A 91 14.653 14.154 -1.009 1.00 0.00 N ATOM 0 H GLN A 91 10.974 12.297 -2.384 1.00 0.00 H new ATOM 0 HA GLN A 91 11.989 13.173 0.009 1.00 0.00 H new ATOM 0 HB2 GLN A 91 10.505 14.683 -2.176 1.00 0.00 H new ATOM 0 HB3 GLN A 91 11.384 15.474 -0.882 1.00 0.00 H new ATOM 0 HG2 GLN A 91 12.820 13.420 -2.541 1.00 0.00 H new ATOM 0 HG3 GLN A 91 12.505 14.993 -3.246 1.00 0.00 H new ATOM 0 HE21 GLN A 91 14.461 13.155 -1.087 1.00 0.00 H new ATOM 0 HE22 GLN A 91 15.477 14.477 -0.502 1.00 0.00 H new ATOM 1441 N ARG A 92 8.761 13.902 -0.199 1.00 0.00 N ATOM 1442 CA ARG A 92 7.578 14.201 0.599 1.00 0.00 C ATOM 1443 C ARG A 92 7.416 13.192 1.731 1.00 0.00 C ATOM 1444 O ARG A 92 6.855 13.506 2.781 1.00 0.00 O ATOM 1445 CB ARG A 92 6.329 14.199 -0.284 1.00 0.00 C ATOM 1446 CG ARG A 92 6.343 15.268 -1.363 1.00 0.00 C ATOM 1447 CD ARG A 92 4.935 15.722 -1.717 1.00 0.00 C ATOM 1448 NE ARG A 92 4.349 16.555 -0.671 1.00 0.00 N ATOM 1449 CZ ARG A 92 4.734 17.801 -0.422 1.00 0.00 C ATOM 1450 NH1 ARG A 92 5.700 18.356 -1.141 1.00 0.00 N ATOM 1451 NH2 ARG A 92 4.152 18.496 0.547 1.00 0.00 N ATOM 0 H ARG A 92 8.600 13.894 -1.206 1.00 0.00 H new ATOM 0 HA ARG A 92 7.705 15.192 1.035 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.229 13.221 -0.755 1.00 0.00 H new ATOM 0 HB3 ARG A 92 5.450 14.341 0.345 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.927 16.123 -1.022 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.836 14.880 -2.254 1.00 0.00 H new ATOM 0 HD2 ARG A 92 4.959 16.279 -2.653 1.00 0.00 H new ATOM 0 HD3 ARG A 92 4.303 14.849 -1.882 1.00 0.00 H new ATOM 0 HE ARG A 92 3.603 16.158 -0.100 1.00 0.00 H new ATOM 0 HH11 ARG A 92 6.149 17.826 -1.887 1.00 0.00 H new ATOM 0 HH12 ARG A 92 5.994 19.313 -0.948 1.00 0.00 H new ATOM 0 HH21 ARG A 92 3.408 18.073 1.102 1.00 0.00 H new ATOM 0 HH22 ARG A 92 4.449 19.453 0.737 1.00 0.00 H new ATOM 1465 N TYR A 93 7.911 11.979 1.511 1.00 0.00 N ATOM 1466 CA TYR A 93 7.818 10.922 2.511 1.00 0.00 C ATOM 1467 C TYR A 93 8.766 11.191 3.676 1.00 0.00 C ATOM 1468 O TYR A 93 8.355 11.191 4.837 1.00 0.00 O ATOM 1469 CB TYR A 93 8.138 9.565 1.881 1.00 0.00 C ATOM 1470 CG TYR A 93 7.475 8.401 2.582 1.00 0.00 C ATOM 1471 CD1 TYR A 93 6.091 8.317 2.674 1.00 0.00 C ATOM 1472 CD2 TYR A 93 8.232 7.385 3.151 1.00 0.00 C ATOM 1473 CE1 TYR A 93 5.481 7.255 3.314 1.00 0.00 C ATOM 1474 CE2 TYR A 93 7.631 6.319 3.792 1.00 0.00 C ATOM 1475 CZ TYR A 93 6.255 6.259 3.871 1.00 0.00 C ATOM 1476 OH TYR A 93 5.651 5.199 4.508 1.00 0.00 O ATOM 0 H TYR A 93 8.381 11.703 0.649 1.00 0.00 H new ATOM 0 HA TYR A 93 6.797 10.906 2.892 1.00 0.00 H new ATOM 0 HB2 TYR A 93 7.825 9.576 0.837 1.00 0.00 H new ATOM 0 HB3 TYR A 93 9.218 9.416 1.889 1.00 0.00 H new ATOM 0 HD1 TYR A 93 5.482 9.095 2.238 1.00 0.00 H new ATOM 0 HD2 TYR A 93 9.309 7.429 3.091 1.00 0.00 H new ATOM 0 HE1 TYR A 93 4.404 7.205 3.378 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.235 5.537 4.229 1.00 0.00 H new ATOM 0 HH TYR A 93 5.486 5.432 5.445 1.00 0.00 H new ATOM 1486 N ILE A 94 10.035 11.419 3.357 1.00 0.00 N ATOM 1487 CA ILE A 94 11.041 11.691 4.376 1.00 0.00 C ATOM 1488 C ILE A 94 10.673 12.922 5.198 1.00 0.00 C ATOM 1489 O ILE A 94 11.126 13.081 6.331 1.00 0.00 O ATOM 1490 CB ILE A 94 12.433 11.903 3.751 1.00 0.00 C ATOM 1491 CG1 ILE A 94 12.786 10.733 2.831 1.00 0.00 C ATOM 1492 CG2 ILE A 94 13.483 12.065 4.839 1.00 0.00 C ATOM 1493 CD1 ILE A 94 13.922 11.034 1.879 1.00 0.00 C ATOM 0 H ILE A 94 10.391 11.421 2.401 1.00 0.00 H new ATOM 0 HA ILE A 94 11.073 10.818 5.028 1.00 0.00 H new ATOM 0 HB ILE A 94 12.413 12.816 3.155 1.00 0.00 H new ATOM 0 HG12 ILE A 94 13.053 9.870 3.441 1.00 0.00 H new ATOM 0 HG13 ILE A 94 11.903 10.456 2.255 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.461 12.214 4.381 1.00 0.00 H new ATOM 0 HG22 ILE A 94 13.236 12.928 5.457 1.00 0.00 H new ATOM 0 HG23 ILE A 94 13.505 11.169 5.459 1.00 0.00 H new ATOM 0 HD11 ILE A 94 14.117 10.160 1.258 1.00 0.00 H new ATOM 0 HD12 ILE A 94 13.651 11.877 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 94 14.818 11.282 2.448 1.00 0.00 H new ATOM 1505 N GLN A 95 9.847 13.788 4.619 1.00 0.00 N ATOM 1506 CA GLN A 95 9.417 15.003 5.299 1.00 0.00 C ATOM 1507 C GLN A 95 9.238 14.757 6.794 1.00 0.00 C ATOM 1508 O GLN A 95 9.976 15.301 7.616 1.00 0.00 O ATOM 1509 CB GLN A 95 8.108 15.515 4.695 1.00 0.00 C ATOM 1510 CG GLN A 95 8.294 16.256 3.380 1.00 0.00 C ATOM 1511 CD GLN A 95 6.985 16.755 2.801 1.00 0.00 C ATOM 1512 OE1 GLN A 95 5.932 16.150 3.005 1.00 0.00 O ATOM 1513 NE2 GLN A 95 7.043 17.865 2.075 1.00 0.00 N ATOM 0 H GLN A 95 9.463 13.670 3.681 1.00 0.00 H new ATOM 0 HA GLN A 95 10.192 15.758 5.164 1.00 0.00 H new ATOM 0 HB2 GLN A 95 7.437 14.671 4.535 1.00 0.00 H new ATOM 0 HB3 GLN A 95 7.622 16.178 5.411 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.964 17.102 3.536 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.777 15.595 2.660 1.00 0.00 H new ATOM 0 HE21 GLN A 95 7.937 18.334 1.931 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.193 18.249 1.661 1.00 0.00 H new ATOM 1522 N PHE A 96 8.253 13.934 7.139 1.00 0.00 N ATOM 1523 CA PHE A 96 7.976 13.617 8.535 1.00 0.00 C ATOM 1524 C PHE A 96 8.677 12.326 8.949 1.00 0.00 C ATOM 1525 O PHE A 96 9.188 12.213 10.063 1.00 0.00 O ATOM 1526 CB PHE A 96 6.469 13.488 8.762 1.00 0.00 C ATOM 1527 CG PHE A 96 5.712 13.064 7.535 1.00 0.00 C ATOM 1528 CD1 PHE A 96 5.532 13.942 6.479 1.00 0.00 C ATOM 1529 CD2 PHE A 96 5.182 11.788 7.439 1.00 0.00 C ATOM 1530 CE1 PHE A 96 4.837 13.556 5.349 1.00 0.00 C ATOM 1531 CE2 PHE A 96 4.486 11.395 6.311 1.00 0.00 C ATOM 1532 CZ PHE A 96 4.312 12.281 5.265 1.00 0.00 C ATOM 0 H PHE A 96 7.634 13.475 6.471 1.00 0.00 H new ATOM 0 HA PHE A 96 8.360 14.431 9.149 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.290 12.765 9.558 1.00 0.00 H new ATOM 0 HB3 PHE A 96 6.078 14.445 9.108 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.940 14.940 6.540 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.314 11.092 8.254 1.00 0.00 H new ATOM 0 HE1 PHE A 96 4.704 14.250 4.532 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.079 10.397 6.247 1.00 0.00 H new ATOM 0 HZ PHE A 96 3.767 11.977 4.384 1.00 0.00 H new ATOM 1542 N TYR A 97 8.695 11.354 8.043 1.00 0.00 N ATOM 1543 CA TYR A 97 9.329 10.069 8.313 1.00 0.00 C ATOM 1544 C TYR A 97 10.775 10.259 8.764 1.00 0.00 C ATOM 1545 O TYR A 97 11.248 9.580 9.675 1.00 0.00 O ATOM 1546 CB TYR A 97 9.284 9.182 7.068 1.00 0.00 C ATOM 1547 CG TYR A 97 8.012 8.374 6.946 1.00 0.00 C ATOM 1548 CD1 TYR A 97 6.769 8.969 7.120 1.00 0.00 C ATOM 1549 CD2 TYR A 97 8.054 7.016 6.658 1.00 0.00 C ATOM 1550 CE1 TYR A 97 5.604 8.234 7.011 1.00 0.00 C ATOM 1551 CE2 TYR A 97 6.894 6.274 6.544 1.00 0.00 C ATOM 1552 CZ TYR A 97 5.672 6.887 6.722 1.00 0.00 C ATOM 1553 OH TYR A 97 4.514 6.151 6.612 1.00 0.00 O ATOM 0 H TYR A 97 8.278 11.432 7.115 1.00 0.00 H new ATOM 0 HA TYR A 97 8.777 9.583 9.117 1.00 0.00 H new ATOM 0 HB2 TYR A 97 9.393 9.808 6.182 1.00 0.00 H new ATOM 0 HB3 TYR A 97 10.136 8.502 7.085 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.712 10.024 7.344 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.010 6.532 6.521 1.00 0.00 H new ATOM 0 HE1 TYR A 97 4.646 8.712 7.151 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.944 5.219 6.317 1.00 0.00 H new ATOM 0 HH TYR A 97 4.587 5.342 7.161 1.00 0.00 H new ATOM 1563 N LYS A 98 11.471 11.189 8.120 1.00 0.00 N ATOM 1564 CA LYS A 98 12.862 11.473 8.453 1.00 0.00 C ATOM 1565 C LYS A 98 13.738 10.246 8.220 1.00 0.00 C ATOM 1566 O LYS A 98 14.717 10.026 8.934 1.00 0.00 O ATOM 1567 CB LYS A 98 12.976 11.925 9.911 1.00 0.00 C ATOM 1568 CG LYS A 98 12.215 13.204 10.212 1.00 0.00 C ATOM 1569 CD LYS A 98 12.855 14.406 9.537 1.00 0.00 C ATOM 1570 CE LYS A 98 13.996 14.971 10.369 1.00 0.00 C ATOM 1571 NZ LYS A 98 14.436 16.304 9.873 1.00 0.00 N ATOM 0 H LYS A 98 11.094 11.760 7.363 1.00 0.00 H new ATOM 0 HA LYS A 98 13.210 12.275 7.802 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.606 11.131 10.559 1.00 0.00 H new ATOM 0 HB3 LYS A 98 14.028 12.072 10.156 1.00 0.00 H new ATOM 0 HG2 LYS A 98 11.183 13.103 9.875 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.184 13.365 11.290 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.228 14.117 8.555 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.103 15.178 9.377 1.00 0.00 H new ATOM 0 HE2 LYS A 98 13.680 15.056 11.409 1.00 0.00 H new ATOM 0 HE3 LYS A 98 14.838 14.279 10.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 15.215 16.655 10.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 14.762 16.218 8.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 13.639 16.971 9.917 1.00 0.00 H new ATOM 1585 N LEU A 99 13.381 9.452 7.217 1.00 0.00 N ATOM 1586 CA LEU A 99 14.136 8.248 6.888 1.00 0.00 C ATOM 1587 C LEU A 99 15.619 8.564 6.721 1.00 0.00 C ATOM 1588 O LEU A 99 15.991 9.687 6.383 1.00 0.00 O ATOM 1589 CB LEU A 99 13.591 7.614 5.607 1.00 0.00 C ATOM 1590 CG LEU A 99 14.525 6.637 4.892 1.00 0.00 C ATOM 1591 CD1 LEU A 99 13.727 5.664 4.037 1.00 0.00 C ATOM 1592 CD2 LEU A 99 15.535 7.392 4.040 1.00 0.00 C ATOM 0 H LEU A 99 12.573 9.620 6.617 1.00 0.00 H new ATOM 0 HA LEU A 99 14.024 7.543 7.711 1.00 0.00 H new ATOM 0 HB2 LEU A 99 12.666 7.090 5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 99 13.332 8.413 4.912 1.00 0.00 H new ATOM 0 HG LEU A 99 15.068 6.066 5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 99 14.408 4.977 3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 99 13.043 5.099 4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 99 13.157 6.218 3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 99 16.192 6.681 3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 99 15.009 7.988 3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 99 16.129 8.048 4.676 1.00 0.00 H new ATOM 1604 N GLY A 100 16.463 7.564 6.959 1.00 0.00 N ATOM 1605 CA GLY A 100 17.895 7.755 6.828 1.00 0.00 C ATOM 1606 C GLY A 100 18.597 6.524 6.289 1.00 0.00 C ATOM 1607 O GLY A 100 19.653 6.627 5.664 1.00 0.00 O ATOM 0 H GLY A 100 16.180 6.625 7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 100 18.087 8.599 6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 100 18.315 8.012 7.801 1.00 0.00 H new ATOM 1611 N ASP A 101 18.012 5.357 6.533 1.00 0.00 N ATOM 1612 CA ASP A 101 18.588 4.100 6.068 1.00 0.00 C ATOM 1613 C ASP A 101 17.545 3.263 5.335 1.00 0.00 C ATOM 1614 O ASP A 101 16.363 3.606 5.309 1.00 0.00 O ATOM 1615 CB ASP A 101 19.158 3.309 7.247 1.00 0.00 C ATOM 1616 CG ASP A 101 19.933 2.085 6.801 1.00 0.00 C ATOM 1617 OD1 ASP A 101 21.021 2.253 6.213 1.00 0.00 O ATOM 1618 OD2 ASP A 101 19.450 0.958 7.040 1.00 0.00 O ATOM 0 H ASP A 101 17.139 5.255 7.050 1.00 0.00 H new ATOM 0 HA ASP A 101 19.394 4.333 5.373 1.00 0.00 H new ATOM 0 HB2 ASP A 101 19.811 3.956 7.833 1.00 0.00 H new ATOM 0 HB3 ASP A 101 18.343 3.001 7.902 1.00 0.00 H new ATOM 1623 N PHE A 102 17.991 2.162 4.737 1.00 0.00 N ATOM 1624 CA PHE A 102 17.097 1.276 4.001 1.00 0.00 C ATOM 1625 C PHE A 102 17.461 -0.186 4.241 1.00 0.00 C ATOM 1626 O PHE A 102 18.587 -0.519 4.612 1.00 0.00 O ATOM 1627 CB PHE A 102 17.154 1.589 2.504 1.00 0.00 C ATOM 1628 CG PHE A 102 17.421 3.036 2.203 1.00 0.00 C ATOM 1629 CD1 PHE A 102 18.718 3.518 2.148 1.00 0.00 C ATOM 1630 CD2 PHE A 102 16.374 3.914 1.976 1.00 0.00 C ATOM 1631 CE1 PHE A 102 18.966 4.849 1.872 1.00 0.00 C ATOM 1632 CE2 PHE A 102 16.615 5.247 1.699 1.00 0.00 C ATOM 1633 CZ PHE A 102 17.914 5.714 1.646 1.00 0.00 C ATOM 0 H PHE A 102 18.966 1.863 4.748 1.00 0.00 H new ATOM 0 HA PHE A 102 16.082 1.443 4.362 1.00 0.00 H new ATOM 0 HB2 PHE A 102 17.933 0.981 2.043 1.00 0.00 H new ATOM 0 HB3 PHE A 102 16.209 1.299 2.044 1.00 0.00 H new ATOM 0 HD1 PHE A 102 19.545 2.846 2.323 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.357 3.553 2.016 1.00 0.00 H new ATOM 0 HE1 PHE A 102 19.982 5.212 1.833 1.00 0.00 H new ATOM 0 HE2 PHE A 102 15.790 5.921 1.525 1.00 0.00 H new ATOM 0 HZ PHE A 102 18.106 6.754 1.428 1.00 0.00 H new ATOM 1643 N PRO A 103 16.485 -1.081 4.026 1.00 0.00 N ATOM 1644 CA PRO A 103 15.141 -0.696 3.585 1.00 0.00 C ATOM 1645 C PRO A 103 14.363 0.037 4.672 1.00 0.00 C ATOM 1646 O PRO A 103 14.695 -0.051 5.854 1.00 0.00 O ATOM 1647 CB PRO A 103 14.476 -2.037 3.263 1.00 0.00 C ATOM 1648 CG PRO A 103 15.202 -3.031 4.102 1.00 0.00 C ATOM 1649 CD PRO A 103 16.619 -2.537 4.197 1.00 0.00 C ATOM 0 HA PRO A 103 15.170 -0.006 2.742 1.00 0.00 H new ATOM 0 HB2 PRO A 103 13.413 -2.019 3.502 1.00 0.00 H new ATOM 0 HB3 PRO A 103 14.561 -2.277 2.203 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.750 -3.112 5.091 1.00 0.00 H new ATOM 0 HG3 PRO A 103 15.164 -4.023 3.652 1.00 0.00 H new ATOM 0 HD2 PRO A 103 17.069 -2.789 5.157 1.00 0.00 H new ATOM 0 HD3 PRO A 103 17.250 -2.976 3.424 1.00 0.00 H new ATOM 1657 N TYR A 104 13.325 0.759 4.264 1.00 0.00 N ATOM 1658 CA TYR A 104 12.500 1.510 5.203 1.00 0.00 C ATOM 1659 C TYR A 104 11.019 1.355 4.872 1.00 0.00 C ATOM 1660 O TYR A 104 10.566 1.751 3.798 1.00 0.00 O ATOM 1661 CB TYR A 104 12.886 2.990 5.184 1.00 0.00 C ATOM 1662 CG TYR A 104 12.572 3.715 6.473 1.00 0.00 C ATOM 1663 CD1 TYR A 104 11.331 4.308 6.675 1.00 0.00 C ATOM 1664 CD2 TYR A 104 13.515 3.807 7.489 1.00 0.00 C ATOM 1665 CE1 TYR A 104 11.040 4.971 7.851 1.00 0.00 C ATOM 1666 CE2 TYR A 104 13.232 4.467 8.669 1.00 0.00 C ATOM 1667 CZ TYR A 104 11.993 5.048 8.845 1.00 0.00 C ATOM 1668 OH TYR A 104 11.707 5.708 10.018 1.00 0.00 O ATOM 0 H TYR A 104 13.035 0.840 3.289 1.00 0.00 H new ATOM 0 HA TYR A 104 12.675 1.109 6.201 1.00 0.00 H new ATOM 0 HB2 TYR A 104 13.953 3.076 4.980 1.00 0.00 H new ATOM 0 HB3 TYR A 104 12.364 3.482 4.364 1.00 0.00 H new ATOM 0 HD1 TYR A 104 10.582 4.249 5.899 1.00 0.00 H new ATOM 0 HD2 TYR A 104 14.486 3.355 7.354 1.00 0.00 H new ATOM 0 HE1 TYR A 104 10.071 5.427 7.992 1.00 0.00 H new ATOM 0 HE2 TYR A 104 13.976 4.528 9.449 1.00 0.00 H new ATOM 0 HH TYR A 104 12.485 5.669 10.613 1.00 0.00 H new ATOM 1678 N VAL A 105 10.269 0.775 5.803 1.00 0.00 N ATOM 1679 CA VAL A 105 8.838 0.568 5.613 1.00 0.00 C ATOM 1680 C VAL A 105 8.061 0.896 6.883 1.00 0.00 C ATOM 1681 O VAL A 105 8.512 0.606 7.991 1.00 0.00 O ATOM 1682 CB VAL A 105 8.531 -0.883 5.198 1.00 0.00 C ATOM 1683 CG1 VAL A 105 7.032 -1.090 5.046 1.00 0.00 C ATOM 1684 CG2 VAL A 105 9.259 -1.233 3.909 1.00 0.00 C ATOM 0 H VAL A 105 10.628 0.440 6.697 1.00 0.00 H new ATOM 0 HA VAL A 105 8.525 1.241 4.815 1.00 0.00 H new ATOM 0 HB VAL A 105 8.887 -1.550 5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.835 -2.121 4.752 1.00 0.00 H new ATOM 0 HG12 VAL A 105 6.538 -0.882 5.995 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.647 -0.415 4.281 1.00 0.00 H new ATOM 0 HG21 VAL A 105 9.031 -2.262 3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 105 8.935 -0.561 3.114 1.00 0.00 H new ATOM 0 HG23 VAL A 105 10.334 -1.127 4.058 1.00 0.00 H new ATOM 1694 N SER A 106 6.891 1.503 6.714 1.00 0.00 N ATOM 1695 CA SER A 106 6.052 1.874 7.848 1.00 0.00 C ATOM 1696 C SER A 106 4.593 2.012 7.422 1.00 0.00 C ATOM 1697 O SER A 106 4.292 2.152 6.236 1.00 0.00 O ATOM 1698 CB SER A 106 6.541 3.187 8.463 1.00 0.00 C ATOM 1699 OG SER A 106 7.929 3.134 8.741 1.00 0.00 O ATOM 0 H SER A 106 6.502 1.748 5.803 1.00 0.00 H new ATOM 0 HA SER A 106 6.122 1.083 8.594 1.00 0.00 H new ATOM 0 HB2 SER A 106 6.335 4.011 7.780 1.00 0.00 H new ATOM 0 HB3 SER A 106 5.990 3.389 9.382 1.00 0.00 H new ATOM 0 HG SER A 106 8.217 3.985 9.132 1.00 0.00 H new ATOM 1705 N ILE A 107 3.692 1.969 8.398 1.00 0.00 N ATOM 1706 CA ILE A 107 2.266 2.090 8.125 1.00 0.00 C ATOM 1707 C ILE A 107 1.785 3.522 8.333 1.00 0.00 C ATOM 1708 O ILE A 107 1.975 4.104 9.402 1.00 0.00 O ATOM 1709 CB ILE A 107 1.440 1.148 9.021 1.00 0.00 C ATOM 1710 CG1 ILE A 107 1.629 -0.305 8.583 1.00 0.00 C ATOM 1711 CG2 ILE A 107 -0.032 1.532 8.979 1.00 0.00 C ATOM 1712 CD1 ILE A 107 2.788 -0.997 9.267 1.00 0.00 C ATOM 0 H ILE A 107 3.925 1.851 9.384 1.00 0.00 H new ATOM 0 HA ILE A 107 2.120 1.808 7.082 1.00 0.00 H new ATOM 0 HB ILE A 107 1.792 1.247 10.048 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.713 -0.860 8.788 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.785 -0.334 7.505 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.602 0.857 9.617 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.151 2.555 9.335 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.398 1.459 7.955 1.00 0.00 H new ATOM 0 HD11 ILE A 107 2.862 -2.024 8.908 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.713 -0.466 9.042 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.625 -1.000 10.345 1.00 0.00 H new ATOM 1724 N LEU A 108 1.160 4.086 7.305 1.00 0.00 N ATOM 1725 CA LEU A 108 0.650 5.450 7.374 1.00 0.00 C ATOM 1726 C LEU A 108 -0.870 5.470 7.249 1.00 0.00 C ATOM 1727 O LEU A 108 -1.448 4.717 6.466 1.00 0.00 O ATOM 1728 CB LEU A 108 1.275 6.306 6.271 1.00 0.00 C ATOM 1729 CG LEU A 108 1.491 7.782 6.609 1.00 0.00 C ATOM 1730 CD1 LEU A 108 0.203 8.568 6.417 1.00 0.00 C ATOM 1731 CD2 LEU A 108 2.003 7.934 8.033 1.00 0.00 C ATOM 0 H LEU A 108 0.994 3.619 6.413 1.00 0.00 H new ATOM 0 HA LEU A 108 0.922 5.864 8.345 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.237 5.871 6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.640 6.245 5.387 1.00 0.00 H new ATOM 0 HG LEU A 108 2.242 8.184 5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.376 9.616 6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.121 8.487 5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.570 8.165 7.071 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.151 8.991 8.256 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.275 7.515 8.728 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.950 7.405 8.137 1.00 0.00 H new ATOM 1743 N ASP A 109 -1.511 6.338 8.024 1.00 0.00 N ATOM 1744 CA ASP A 109 -2.964 6.459 7.998 1.00 0.00 C ATOM 1745 C ASP A 109 -3.395 7.642 7.137 1.00 0.00 C ATOM 1746 O ASP A 109 -2.957 8.776 7.333 1.00 0.00 O ATOM 1747 CB ASP A 109 -3.509 6.619 9.418 1.00 0.00 C ATOM 1748 CG ASP A 109 -3.861 5.290 10.057 1.00 0.00 C ATOM 1749 OD1 ASP A 109 -3.382 4.249 9.561 1.00 0.00 O ATOM 1750 OD2 ASP A 109 -4.615 5.291 11.052 1.00 0.00 O ATOM 0 H ASP A 109 -1.047 6.968 8.678 1.00 0.00 H new ATOM 0 HA ASP A 109 -3.373 5.548 7.562 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.768 7.129 10.033 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -4.395 7.253 9.394 1.00 0.00 H new ATOM 1755 N PRO A 110 -4.274 7.374 6.160 1.00 0.00 N ATOM 1756 CA PRO A 110 -4.784 8.404 5.250 1.00 0.00 C ATOM 1757 C PRO A 110 -5.714 9.389 5.950 1.00 0.00 C ATOM 1758 O PRO A 110 -5.910 10.511 5.484 1.00 0.00 O ATOM 1759 CB PRO A 110 -5.551 7.599 4.198 1.00 0.00 C ATOM 1760 CG PRO A 110 -5.945 6.343 4.896 1.00 0.00 C ATOM 1761 CD PRO A 110 -4.839 6.046 5.870 1.00 0.00 C ATOM 0 HA PRO A 110 -3.982 9.016 4.837 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.425 8.145 3.841 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.929 7.390 3.328 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.897 6.466 5.412 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.070 5.525 4.186 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -5.217 5.564 6.772 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.093 5.377 5.440 1.00 0.00 H new ATOM 1769 N ARG A 111 -6.284 8.962 7.072 1.00 0.00 N ATOM 1770 CA ARG A 111 -7.194 9.806 7.836 1.00 0.00 C ATOM 1771 C ARG A 111 -6.447 10.976 8.470 1.00 0.00 C ATOM 1772 O ARG A 111 -6.767 12.139 8.223 1.00 0.00 O ATOM 1773 CB ARG A 111 -7.894 8.987 8.922 1.00 0.00 C ATOM 1774 CG ARG A 111 -8.956 8.043 8.382 1.00 0.00 C ATOM 1775 CD ARG A 111 -9.733 7.377 9.506 1.00 0.00 C ATOM 1776 NE ARG A 111 -10.845 6.574 9.003 1.00 0.00 N ATOM 1777 CZ ARG A 111 -11.933 6.299 9.714 1.00 0.00 C ATOM 1778 NH1 ARG A 111 -12.055 6.758 10.951 1.00 0.00 N ATOM 1779 NH2 ARG A 111 -12.902 5.562 9.186 1.00 0.00 N ATOM 0 H ARG A 111 -6.131 8.036 7.472 1.00 0.00 H new ATOM 0 HA ARG A 111 -7.943 10.203 7.150 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -7.148 8.408 9.466 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -8.355 9.667 9.638 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -9.643 8.595 7.741 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -8.485 7.280 7.762 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -9.061 6.743 10.085 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -10.115 8.140 10.184 1.00 0.00 H new ATOM 0 HE ARG A 111 -10.783 6.204 8.054 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -11.312 7.325 11.360 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -12.892 6.545 11.494 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -12.811 5.207 8.234 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -13.737 5.351 9.732 1.00 0.00 H new ATOM 1793 N THR A 112 -5.449 10.660 9.290 1.00 0.00 N ATOM 1794 CA THR A 112 -4.657 11.684 9.960 1.00 0.00 C ATOM 1795 C THR A 112 -3.391 12.003 9.174 1.00 0.00 C ATOM 1796 O THR A 112 -3.041 13.168 8.989 1.00 0.00 O ATOM 1797 CB THR A 112 -4.267 11.249 11.386 1.00 0.00 C ATOM 1798 OG1 THR A 112 -3.430 10.088 11.331 1.00 0.00 O ATOM 1799 CG2 THR A 112 -5.505 10.949 12.218 1.00 0.00 C ATOM 0 H THR A 112 -5.170 9.703 9.506 1.00 0.00 H new ATOM 0 HA THR A 112 -5.279 12.577 10.018 1.00 0.00 H new ATOM 0 HB THR A 112 -3.723 12.068 11.857 1.00 0.00 H new ATOM 0 HG1 THR A 112 -3.185 9.818 12.241 1.00 0.00 H new ATOM 0 HG21 THR A 112 -5.205 10.644 13.220 1.00 0.00 H new ATOM 0 HG22 THR A 112 -6.126 11.843 12.281 1.00 0.00 H new ATOM 0 HG23 THR A 112 -6.073 10.145 11.749 1.00 0.00 H new ATOM 1807 N GLY A 113 -2.708 10.960 8.713 1.00 0.00 N ATOM 1808 CA GLY A 113 -1.488 11.151 7.951 1.00 0.00 C ATOM 1809 C GLY A 113 -0.256 11.206 8.832 1.00 0.00 C ATOM 1810 O GLY A 113 0.675 11.964 8.561 1.00 0.00 O ATOM 0 H GLY A 113 -2.978 9.986 8.854 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.381 10.338 7.233 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -1.562 12.075 7.378 1.00 0.00 H new ATOM 1814 N GLN A 114 -0.251 10.403 9.891 1.00 0.00 N ATOM 1815 CA GLN A 114 0.875 10.366 10.817 1.00 0.00 C ATOM 1816 C GLN A 114 1.388 8.941 10.994 1.00 0.00 C ATOM 1817 O GLN A 114 0.610 8.012 11.211 1.00 0.00 O ATOM 1818 CB GLN A 114 0.467 10.946 12.172 1.00 0.00 C ATOM 1819 CG GLN A 114 1.418 10.581 13.301 1.00 0.00 C ATOM 1820 CD GLN A 114 1.476 11.644 14.381 1.00 0.00 C ATOM 1821 OE1 GLN A 114 2.419 12.433 14.441 1.00 0.00 O ATOM 1822 NE2 GLN A 114 0.466 11.669 15.242 1.00 0.00 N ATOM 0 H GLN A 114 -1.014 9.769 10.129 1.00 0.00 H new ATOM 0 HA GLN A 114 1.678 10.972 10.397 1.00 0.00 H new ATOM 0 HB2 GLN A 114 0.412 12.032 12.091 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -0.534 10.593 12.422 1.00 0.00 H new ATOM 0 HG2 GLN A 114 1.105 9.635 13.744 1.00 0.00 H new ATOM 0 HG3 GLN A 114 2.417 10.427 12.894 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -0.295 10.996 15.155 1.00 0.00 H new ATOM 0 HE22 GLN A 114 0.451 12.362 15.991 1.00 0.00 H new ATOM 1831 N LYS A 115 2.703 8.775 10.899 1.00 0.00 N ATOM 1832 CA LYS A 115 3.321 7.463 11.050 1.00 0.00 C ATOM 1833 C LYS A 115 2.982 6.853 12.406 1.00 0.00 C ATOM 1834 O LYS A 115 3.492 7.289 13.439 1.00 0.00 O ATOM 1835 CB LYS A 115 4.840 7.572 10.893 1.00 0.00 C ATOM 1836 CG LYS A 115 5.569 6.257 11.111 1.00 0.00 C ATOM 1837 CD LYS A 115 7.066 6.409 10.898 1.00 0.00 C ATOM 1838 CE LYS A 115 7.747 6.994 12.126 1.00 0.00 C ATOM 1839 NZ LYS A 115 9.097 7.536 11.806 1.00 0.00 N ATOM 0 H LYS A 115 3.361 9.533 10.718 1.00 0.00 H new ATOM 0 HA LYS A 115 2.926 6.811 10.271 1.00 0.00 H new ATOM 0 HB2 LYS A 115 5.068 7.943 9.894 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.218 8.309 11.601 1.00 0.00 H new ATOM 0 HG2 LYS A 115 5.379 5.898 12.122 1.00 0.00 H new ATOM 0 HG3 LYS A 115 5.177 5.505 10.426 1.00 0.00 H new ATOM 0 HD2 LYS A 115 7.502 5.437 10.667 1.00 0.00 H new ATOM 0 HD3 LYS A 115 7.249 7.053 10.038 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.126 7.788 12.542 1.00 0.00 H new ATOM 0 HE3 LYS A 115 7.837 6.224 12.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 9.528 7.925 12.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.698 6.774 11.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 9.009 8.288 11.093 1.00 0.00 H new ATOM 1853 N LEU A 116 2.119 5.843 12.396 1.00 0.00 N ATOM 1854 CA LEU A 116 1.712 5.172 13.625 1.00 0.00 C ATOM 1855 C LEU A 116 2.781 4.187 14.088 1.00 0.00 C ATOM 1856 O LEU A 116 3.206 4.213 15.243 1.00 0.00 O ATOM 1857 CB LEU A 116 0.385 4.440 13.416 1.00 0.00 C ATOM 1858 CG LEU A 116 -0.635 5.144 12.520 1.00 0.00 C ATOM 1859 CD1 LEU A 116 -1.841 4.250 12.280 1.00 0.00 C ATOM 1860 CD2 LEU A 116 -1.064 6.467 13.138 1.00 0.00 C ATOM 0 H LEU A 116 1.688 5.471 11.550 1.00 0.00 H new ATOM 0 HA LEU A 116 1.584 5.931 14.397 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.597 3.459 12.990 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.072 4.272 14.391 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.165 5.350 11.559 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -2.556 4.768 11.641 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.520 3.329 11.794 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -2.313 4.012 13.233 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.790 6.954 12.487 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.516 6.284 14.113 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.193 7.112 13.258 1.00 0.00 H new ATOM 1872 N VAL A 117 3.215 3.321 13.177 1.00 0.00 N ATOM 1873 CA VAL A 117 4.237 2.330 13.490 1.00 0.00 C ATOM 1874 C VAL A 117 5.404 2.417 12.513 1.00 0.00 C ATOM 1875 O VAL A 117 5.221 2.736 11.339 1.00 0.00 O ATOM 1876 CB VAL A 117 3.662 0.902 13.459 1.00 0.00 C ATOM 1877 CG1 VAL A 117 2.393 0.819 14.294 1.00 0.00 C ATOM 1878 CG2 VAL A 117 3.397 0.465 12.026 1.00 0.00 C ATOM 0 H VAL A 117 2.874 3.286 12.216 1.00 0.00 H new ATOM 0 HA VAL A 117 4.592 2.549 14.497 1.00 0.00 H new ATOM 0 HB VAL A 117 4.398 0.223 13.891 1.00 0.00 H new ATOM 0 HG11 VAL A 117 2.001 -0.198 14.260 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.619 1.087 15.326 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.649 1.508 13.895 1.00 0.00 H new ATOM 0 HG21 VAL A 117 2.991 -0.547 12.023 1.00 0.00 H new ATOM 0 HG22 VAL A 117 2.681 1.145 11.565 1.00 0.00 H new ATOM 0 HG23 VAL A 117 4.329 0.483 11.462 1.00 0.00 H new ATOM 1888 N GLU A 118 6.605 2.131 13.007 1.00 0.00 N ATOM 1889 CA GLU A 118 7.803 2.178 12.176 1.00 0.00 C ATOM 1890 C GLU A 118 8.573 0.863 12.258 1.00 0.00 C ATOM 1891 O GLU A 118 8.759 0.307 13.341 1.00 0.00 O ATOM 1892 CB GLU A 118 8.704 3.337 12.606 1.00 0.00 C ATOM 1893 CG GLU A 118 10.119 3.243 12.062 1.00 0.00 C ATOM 1894 CD GLU A 118 11.053 2.492 12.992 1.00 0.00 C ATOM 1895 OE1 GLU A 118 10.894 2.624 14.224 1.00 0.00 O ATOM 1896 OE2 GLU A 118 11.942 1.774 12.488 1.00 0.00 O ATOM 0 H GLU A 118 6.774 1.865 13.977 1.00 0.00 H new ATOM 0 HA GLU A 118 7.492 2.334 11.143 1.00 0.00 H new ATOM 0 HB2 GLU A 118 8.258 4.275 12.275 1.00 0.00 H new ATOM 0 HB3 GLU A 118 8.744 3.370 13.695 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.099 2.745 11.093 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.508 4.248 11.896 1.00 0.00 H new ATOM 1903 N TRP A 119 9.019 0.373 11.107 1.00 0.00 N ATOM 1904 CA TRP A 119 9.769 -0.877 11.048 1.00 0.00 C ATOM 1905 C TRP A 119 11.023 -0.719 10.195 1.00 0.00 C ATOM 1906 O TRP A 119 10.939 -0.482 8.990 1.00 0.00 O ATOM 1907 CB TRP A 119 8.891 -1.996 10.485 1.00 0.00 C ATOM 1908 CG TRP A 119 7.693 -2.295 11.334 1.00 0.00 C ATOM 1909 CD1 TRP A 119 7.603 -2.186 12.693 1.00 0.00 C ATOM 1910 CD2 TRP A 119 6.414 -2.753 10.881 1.00 0.00 C ATOM 1911 NE1 TRP A 119 6.345 -2.549 13.111 1.00 0.00 N ATOM 1912 CE2 TRP A 119 5.597 -2.901 12.019 1.00 0.00 C ATOM 1913 CE3 TRP A 119 5.880 -3.052 9.625 1.00 0.00 C ATOM 1914 CZ2 TRP A 119 4.277 -3.334 11.935 1.00 0.00 C ATOM 1915 CZ3 TRP A 119 4.570 -3.483 9.544 1.00 0.00 C ATOM 1916 CH2 TRP A 119 3.780 -3.620 10.693 1.00 0.00 C ATOM 0 H TRP A 119 8.875 0.822 10.202 1.00 0.00 H new ATOM 0 HA TRP A 119 10.073 -1.139 12.062 1.00 0.00 H new ATOM 0 HB2 TRP A 119 8.558 -1.719 9.485 1.00 0.00 H new ATOM 0 HB3 TRP A 119 9.490 -2.901 10.382 1.00 0.00 H new ATOM 0 HD1 TRP A 119 8.403 -1.862 13.343 1.00 0.00 H new ATOM 0 HE1 TRP A 119 6.021 -2.555 14.078 1.00 0.00 H new ATOM 0 HE3 TRP A 119 6.481 -2.948 8.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 3.666 -3.440 12.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 4.148 -3.718 8.578 1.00 0.00 H new ATOM 0 HH2 TRP A 119 2.759 -3.958 10.596 1.00 0.00 H new ATOM 1927 N HIS A 120 12.184 -0.853 10.827 1.00 0.00 N ATOM 1928 CA HIS A 120 13.456 -0.726 10.125 1.00 0.00 C ATOM 1929 C HIS A 120 13.801 -2.016 9.388 1.00 0.00 C ATOM 1930 O HIS A 120 14.012 -2.011 8.175 1.00 0.00 O ATOM 1931 CB HIS A 120 14.573 -0.373 11.108 1.00 0.00 C ATOM 1932 CG HIS A 120 15.939 -0.390 10.494 1.00 0.00 C ATOM 1933 ND1 HIS A 120 16.838 -1.393 10.365 1.00 0.00 N flip ATOM 1934 CD2 HIS A 120 16.522 0.722 9.924 1.00 0.00 C flip ATOM 1935 CE1 HIS A 120 17.937 -0.875 9.724 1.00 0.00 C flip ATOM 1936 NE2 HIS A 120 17.720 0.403 9.468 1.00 0.00 N flip ATOM 0 H HIS A 120 12.271 -1.050 11.824 1.00 0.00 H new ATOM 0 HA HIS A 120 13.360 0.076 9.393 1.00 0.00 H new ATOM 0 HB2 HIS A 120 14.382 0.617 11.522 1.00 0.00 H new ATOM 0 HB3 HIS A 120 14.549 -1.076 11.940 1.00 0.00 H new ATOM 0 HD2 HIS A 120 16.070 1.701 9.860 1.00 0.00 H new ATOM 0 HE1 HIS A 120 18.832 -1.423 9.471 1.00 0.00 H new ATOM 0 HE2 HIS A 120 18.368 1.036 8.998 1.00 0.00 H new ATOM 1945 N GLN A 121 13.856 -3.119 10.128 1.00 0.00 N ATOM 1946 CA GLN A 121 14.176 -4.416 9.544 1.00 0.00 C ATOM 1947 C GLN A 121 12.909 -5.225 9.286 1.00 0.00 C ATOM 1948 O GLN A 121 12.104 -5.443 10.193 1.00 0.00 O ATOM 1949 CB GLN A 121 15.115 -5.196 10.466 1.00 0.00 C ATOM 1950 CG GLN A 121 14.530 -5.465 11.843 1.00 0.00 C ATOM 1951 CD GLN A 121 15.594 -5.571 12.918 1.00 0.00 C ATOM 1952 OE1 GLN A 121 16.160 -6.640 13.144 1.00 0.00 O ATOM 1953 NE2 GLN A 121 15.871 -4.458 13.588 1.00 0.00 N ATOM 0 H GLN A 121 13.683 -3.140 11.133 1.00 0.00 H new ATOM 0 HA GLN A 121 14.675 -4.244 8.590 1.00 0.00 H new ATOM 0 HB2 GLN A 121 15.366 -6.146 9.995 1.00 0.00 H new ATOM 0 HB3 GLN A 121 16.046 -4.640 10.578 1.00 0.00 H new ATOM 0 HG2 GLN A 121 13.836 -4.665 12.101 1.00 0.00 H new ATOM 0 HG3 GLN A 121 13.954 -6.390 11.815 1.00 0.00 H new ATOM 0 HE21 GLN A 121 15.377 -3.593 13.367 1.00 0.00 H new ATOM 0 HE22 GLN A 121 16.578 -4.468 14.323 1.00 0.00 H new ATOM 1962 N LEU A 122 12.738 -5.667 8.046 1.00 0.00 N ATOM 1963 CA LEU A 122 11.568 -6.452 7.668 1.00 0.00 C ATOM 1964 C LEU A 122 11.978 -7.713 6.914 1.00 0.00 C ATOM 1965 O LEU A 122 13.071 -7.784 6.351 1.00 0.00 O ATOM 1966 CB LEU A 122 10.623 -5.614 6.806 1.00 0.00 C ATOM 1967 CG LEU A 122 9.160 -6.060 6.783 1.00 0.00 C ATOM 1968 CD1 LEU A 122 8.530 -5.892 8.157 1.00 0.00 C ATOM 1969 CD2 LEU A 122 8.380 -5.278 5.737 1.00 0.00 C ATOM 0 H LEU A 122 13.395 -5.495 7.284 1.00 0.00 H new ATOM 0 HA LEU A 122 11.051 -6.748 8.581 1.00 0.00 H new ATOM 0 HB2 LEU A 122 10.662 -4.583 7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 122 10.999 -5.617 5.783 1.00 0.00 H new ATOM 0 HG LEU A 122 9.126 -7.116 6.517 1.00 0.00 H new ATOM 0 HD11 LEU A 122 7.489 -6.214 8.122 1.00 0.00 H new ATOM 0 HD12 LEU A 122 9.073 -6.497 8.883 1.00 0.00 H new ATOM 0 HD13 LEU A 122 8.576 -4.844 8.452 1.00 0.00 H new ATOM 0 HD21 LEU A 122 7.341 -5.609 5.735 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.422 -4.214 5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 122 8.817 -5.450 4.753 1.00 0.00 H new ATOM 1981 N ASP A 123 11.095 -8.705 6.905 1.00 0.00 N ATOM 1982 CA ASP A 123 11.363 -9.962 6.217 1.00 0.00 C ATOM 1983 C ASP A 123 10.064 -10.629 5.775 1.00 0.00 C ATOM 1984 O ASP A 123 8.976 -10.217 6.177 1.00 0.00 O ATOM 1985 CB ASP A 123 12.152 -10.907 7.126 1.00 0.00 C ATOM 1986 CG ASP A 123 13.645 -10.649 7.071 1.00 0.00 C ATOM 1987 OD1 ASP A 123 14.173 -10.454 5.957 1.00 0.00 O ATOM 1988 OD2 ASP A 123 14.286 -10.644 8.143 1.00 0.00 O ATOM 0 H ASP A 123 10.187 -8.663 7.367 1.00 0.00 H new ATOM 0 HA ASP A 123 11.957 -9.742 5.330 1.00 0.00 H new ATOM 0 HB2 ASP A 123 11.804 -10.794 8.153 1.00 0.00 H new ATOM 0 HB3 ASP A 123 11.953 -11.938 6.834 1.00 0.00 H new ATOM 1993 N VAL A 124 10.186 -11.660 4.945 1.00 0.00 N ATOM 1994 CA VAL A 124 9.022 -12.383 4.448 1.00 0.00 C ATOM 1995 C VAL A 124 8.208 -12.968 5.597 1.00 0.00 C ATOM 1996 O VAL A 124 6.987 -12.818 5.645 1.00 0.00 O ATOM 1997 CB VAL A 124 9.433 -13.520 3.494 1.00 0.00 C ATOM 1998 CG1 VAL A 124 8.214 -14.318 3.058 1.00 0.00 C ATOM 1999 CG2 VAL A 124 10.173 -12.961 2.288 1.00 0.00 C ATOM 0 H VAL A 124 11.080 -12.013 4.603 1.00 0.00 H new ATOM 0 HA VAL A 124 8.411 -11.664 3.902 1.00 0.00 H new ATOM 0 HB VAL A 124 10.106 -14.192 4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 124 8.524 -15.117 2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 124 7.729 -14.749 3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 124 7.514 -13.660 2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 124 10.456 -13.778 1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 124 9.525 -12.267 1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 124 11.069 -12.437 2.621 1.00 0.00 H new ATOM 2009 N SER A 125 8.892 -13.635 6.521 1.00 0.00 N ATOM 2010 CA SER A 125 8.231 -14.247 7.668 1.00 0.00 C ATOM 2011 C SER A 125 7.820 -13.187 8.686 1.00 0.00 C ATOM 2012 O SER A 125 6.684 -13.173 9.160 1.00 0.00 O ATOM 2013 CB SER A 125 9.155 -15.273 8.328 1.00 0.00 C ATOM 2014 OG SER A 125 8.676 -15.639 9.610 1.00 0.00 O ATOM 0 H SER A 125 9.903 -13.765 6.498 1.00 0.00 H new ATOM 0 HA SER A 125 7.333 -14.753 7.313 1.00 0.00 H new ATOM 0 HB2 SER A 125 9.229 -16.159 7.697 1.00 0.00 H new ATOM 0 HB3 SER A 125 10.160 -14.859 8.416 1.00 0.00 H new ATOM 0 HG SER A 125 9.283 -16.296 10.010 1.00 0.00 H new ATOM 2020 N SER A 126 8.753 -12.300 9.018 1.00 0.00 N ATOM 2021 CA SER A 126 8.490 -11.239 9.982 1.00 0.00 C ATOM 2022 C SER A 126 7.340 -10.352 9.514 1.00 0.00 C ATOM 2023 O SER A 126 6.333 -10.205 10.207 1.00 0.00 O ATOM 2024 CB SER A 126 9.747 -10.392 10.196 1.00 0.00 C ATOM 2025 OG SER A 126 10.648 -11.032 11.083 1.00 0.00 O ATOM 0 H SER A 126 9.698 -12.296 8.633 1.00 0.00 H new ATOM 0 HA SER A 126 8.207 -11.703 10.927 1.00 0.00 H new ATOM 0 HB2 SER A 126 10.238 -10.215 9.239 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.469 -9.417 10.596 1.00 0.00 H new ATOM 0 HG SER A 126 11.443 -10.472 11.202 1.00 0.00 H new ATOM 2031 N PHE A 127 7.498 -9.764 8.334 1.00 0.00 N ATOM 2032 CA PHE A 127 6.474 -8.890 7.772 1.00 0.00 C ATOM 2033 C PHE A 127 5.077 -9.403 8.110 1.00 0.00 C ATOM 2034 O PHE A 127 4.287 -8.709 8.752 1.00 0.00 O ATOM 2035 CB PHE A 127 6.638 -8.787 6.254 1.00 0.00 C ATOM 2036 CG PHE A 127 5.427 -8.237 5.556 1.00 0.00 C ATOM 2037 CD1 PHE A 127 5.189 -6.872 5.525 1.00 0.00 C ATOM 2038 CD2 PHE A 127 4.526 -9.085 4.932 1.00 0.00 C ATOM 2039 CE1 PHE A 127 4.076 -6.363 4.883 1.00 0.00 C ATOM 2040 CE2 PHE A 127 3.411 -8.581 4.289 1.00 0.00 C ATOM 2041 CZ PHE A 127 3.185 -7.218 4.265 1.00 0.00 C ATOM 0 H PHE A 127 8.325 -9.876 7.748 1.00 0.00 H new ATOM 0 HA PHE A 127 6.595 -7.900 8.211 1.00 0.00 H new ATOM 0 HB2 PHE A 127 7.495 -8.152 6.032 1.00 0.00 H new ATOM 0 HB3 PHE A 127 6.861 -9.776 5.853 1.00 0.00 H new ATOM 0 HD1 PHE A 127 5.881 -6.198 6.008 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.697 -10.151 4.948 1.00 0.00 H new ATOM 0 HE1 PHE A 127 3.903 -5.297 4.865 1.00 0.00 H new ATOM 0 HE2 PHE A 127 2.717 -9.252 3.806 1.00 0.00 H new ATOM 0 HZ PHE A 127 2.314 -6.822 3.764 1.00 0.00 H new ATOM 2051 N LEU A 128 4.779 -10.621 7.673 1.00 0.00 N ATOM 2052 CA LEU A 128 3.477 -11.229 7.928 1.00 0.00 C ATOM 2053 C LEU A 128 3.166 -11.244 9.421 1.00 0.00 C ATOM 2054 O LEU A 128 2.122 -10.755 9.853 1.00 0.00 O ATOM 2055 CB LEU A 128 3.439 -12.654 7.372 1.00 0.00 C ATOM 2056 CG LEU A 128 3.828 -12.812 5.902 1.00 0.00 C ATOM 2057 CD1 LEU A 128 4.118 -14.269 5.580 1.00 0.00 C ATOM 2058 CD2 LEU A 128 2.728 -12.273 4.999 1.00 0.00 C ATOM 0 H LEU A 128 5.421 -11.208 7.140 1.00 0.00 H new ATOM 0 HA LEU A 128 2.719 -10.629 7.424 1.00 0.00 H new ATOM 0 HB2 LEU A 128 4.105 -13.274 7.972 1.00 0.00 H new ATOM 0 HB3 LEU A 128 2.431 -13.047 7.505 1.00 0.00 H new ATOM 0 HG LEU A 128 4.735 -12.234 5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 128 4.393 -14.362 4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 128 4.940 -14.623 6.203 1.00 0.00 H new ATOM 0 HD13 LEU A 128 3.229 -14.869 5.777 1.00 0.00 H new ATOM 0 HD21 LEU A 128 3.022 -12.393 3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 128 1.805 -12.823 5.182 1.00 0.00 H new ATOM 0 HD23 LEU A 128 2.568 -11.216 5.211 1.00 0.00 H new ATOM 2070 N ASP A 129 4.080 -11.806 10.204 1.00 0.00 N ATOM 2071 CA ASP A 129 3.905 -11.882 11.650 1.00 0.00 C ATOM 2072 C ASP A 129 3.358 -10.570 12.201 1.00 0.00 C ATOM 2073 O ASP A 129 2.279 -10.536 12.793 1.00 0.00 O ATOM 2074 CB ASP A 129 5.234 -12.220 12.328 1.00 0.00 C ATOM 2075 CG ASP A 129 5.051 -12.692 13.757 1.00 0.00 C ATOM 2076 OD1 ASP A 129 5.045 -11.837 14.668 1.00 0.00 O ATOM 2077 OD2 ASP A 129 4.914 -13.915 13.966 1.00 0.00 O ATOM 0 H ASP A 129 4.949 -12.216 9.862 1.00 0.00 H new ATOM 0 HA ASP A 129 3.185 -12.672 11.863 1.00 0.00 H new ATOM 0 HB2 ASP A 129 5.744 -12.994 11.755 1.00 0.00 H new ATOM 0 HB3 ASP A 129 5.878 -11.340 12.319 1.00 0.00 H new ATOM 2082 N GLN A 130 4.110 -9.491 12.003 1.00 0.00 N ATOM 2083 CA GLN A 130 3.700 -8.177 12.482 1.00 0.00 C ATOM 2084 C GLN A 130 2.434 -7.709 11.772 1.00 0.00 C ATOM 2085 O GLN A 130 1.396 -7.503 12.402 1.00 0.00 O ATOM 2086 CB GLN A 130 4.823 -7.160 12.270 1.00 0.00 C ATOM 2087 CG GLN A 130 6.026 -7.386 13.171 1.00 0.00 C ATOM 2088 CD GLN A 130 7.141 -6.390 12.917 1.00 0.00 C ATOM 2089 OE1 GLN A 130 6.965 -5.419 12.181 1.00 0.00 O ATOM 2090 NE2 GLN A 130 8.297 -6.627 13.526 1.00 0.00 N ATOM 0 H GLN A 130 5.005 -9.502 11.515 1.00 0.00 H new ATOM 0 HA GLN A 130 3.488 -8.257 13.548 1.00 0.00 H new ATOM 0 HB2 GLN A 130 5.146 -7.199 11.230 1.00 0.00 H new ATOM 0 HB3 GLN A 130 4.432 -6.158 12.445 1.00 0.00 H new ATOM 0 HG2 GLN A 130 5.713 -7.317 14.213 1.00 0.00 H new ATOM 0 HG3 GLN A 130 6.405 -8.397 13.018 1.00 0.00 H new ATOM 0 HE21 GLN A 130 8.398 -7.444 14.128 1.00 0.00 H new ATOM 0 HE22 GLN A 130 9.084 -5.992 13.392 1.00 0.00 H new ATOM 2099 N VAL A 131 2.526 -7.542 10.457 1.00 0.00 N ATOM 2100 CA VAL A 131 1.388 -7.099 9.660 1.00 0.00 C ATOM 2101 C VAL A 131 0.108 -7.809 10.089 1.00 0.00 C ATOM 2102 O VAL A 131 -0.811 -7.187 10.623 1.00 0.00 O ATOM 2103 CB VAL A 131 1.622 -7.349 8.159 1.00 0.00 C ATOM 2104 CG1 VAL A 131 0.407 -6.921 7.350 1.00 0.00 C ATOM 2105 CG2 VAL A 131 2.871 -6.621 7.686 1.00 0.00 C ATOM 0 H VAL A 131 3.378 -7.707 9.920 1.00 0.00 H new ATOM 0 HA VAL A 131 1.281 -6.028 9.829 1.00 0.00 H new ATOM 0 HB VAL A 131 1.772 -8.418 8.006 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.591 -7.105 6.292 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -0.464 -7.492 7.672 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.222 -5.858 7.506 1.00 0.00 H new ATOM 0 HG21 VAL A 131 3.021 -6.809 6.623 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.753 -5.550 7.852 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.735 -6.981 8.244 1.00 0.00 H new ATOM 2115 N THR A 132 0.054 -9.116 9.851 1.00 0.00 N ATOM 2116 CA THR A 132 -1.113 -9.911 10.212 1.00 0.00 C ATOM 2117 C THR A 132 -1.702 -9.452 11.541 1.00 0.00 C ATOM 2118 O THR A 132 -2.901 -9.200 11.646 1.00 0.00 O ATOM 2119 CB THR A 132 -0.765 -11.408 10.308 1.00 0.00 C ATOM 2120 OG1 THR A 132 0.269 -11.610 11.278 1.00 0.00 O ATOM 2121 CG2 THR A 132 -0.313 -11.946 8.958 1.00 0.00 C ATOM 0 H THR A 132 0.805 -9.646 9.410 1.00 0.00 H new ATOM 0 HA THR A 132 -1.850 -9.766 9.422 1.00 0.00 H new ATOM 0 HB THR A 132 -1.661 -11.948 10.615 1.00 0.00 H new ATOM 0 HG1 THR A 132 1.144 -11.509 10.849 1.00 0.00 H new ATOM 0 HG21 THR A 132 -0.073 -13.005 9.050 1.00 0.00 H new ATOM 0 HG22 THR A 132 -1.113 -11.818 8.229 1.00 0.00 H new ATOM 0 HG23 THR A 132 0.571 -11.401 8.626 1.00 0.00 H new ATOM 2129 N GLY A 133 -0.849 -9.344 12.555 1.00 0.00 N ATOM 2130 CA GLY A 133 -1.304 -8.915 13.865 1.00 0.00 C ATOM 2131 C GLY A 133 -1.840 -7.497 13.856 1.00 0.00 C ATOM 2132 O GLY A 133 -2.986 -7.257 14.237 1.00 0.00 O ATOM 0 H GLY A 133 0.149 -9.546 12.493 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -2.083 -9.592 14.216 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -0.479 -8.984 14.574 1.00 0.00 H new ATOM 2136 N PHE A 134 -1.010 -6.555 13.422 1.00 0.00 N ATOM 2137 CA PHE A 134 -1.406 -5.152 13.368 1.00 0.00 C ATOM 2138 C PHE A 134 -2.822 -5.008 12.819 1.00 0.00 C ATOM 2139 O PHE A 134 -3.624 -4.229 13.336 1.00 0.00 O ATOM 2140 CB PHE A 134 -0.428 -4.357 12.500 1.00 0.00 C ATOM 2141 CG PHE A 134 -0.954 -3.014 12.081 1.00 0.00 C ATOM 2142 CD1 PHE A 134 -1.028 -1.970 12.989 1.00 0.00 C ATOM 2143 CD2 PHE A 134 -1.375 -2.796 10.779 1.00 0.00 C ATOM 2144 CE1 PHE A 134 -1.511 -0.733 12.606 1.00 0.00 C ATOM 2145 CE2 PHE A 134 -1.858 -1.561 10.391 1.00 0.00 C ATOM 2146 CZ PHE A 134 -1.927 -0.529 11.306 1.00 0.00 C ATOM 0 H PHE A 134 -0.059 -6.737 13.102 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.386 -4.755 14.383 1.00 0.00 H new ATOM 0 HB2 PHE A 134 0.503 -4.218 13.049 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -0.189 -4.939 11.610 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -0.705 -2.125 14.008 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -1.325 -3.600 10.060 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -1.563 0.073 13.323 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -2.181 -1.403 9.373 1.00 0.00 H new ATOM 0 HZ PHE A 134 -2.306 0.436 11.005 1.00 0.00 H new ATOM 2156 N LEU A 135 -3.124 -5.764 11.769 1.00 0.00 N ATOM 2157 CA LEU A 135 -4.443 -5.722 11.149 1.00 0.00 C ATOM 2158 C LEU A 135 -5.508 -6.268 12.096 1.00 0.00 C ATOM 2159 O LEU A 135 -6.586 -5.691 12.233 1.00 0.00 O ATOM 2160 CB LEU A 135 -4.443 -6.524 9.847 1.00 0.00 C ATOM 2161 CG LEU A 135 -3.577 -5.966 8.716 1.00 0.00 C ATOM 2162 CD1 LEU A 135 -3.477 -6.969 7.577 1.00 0.00 C ATOM 2163 CD2 LEU A 135 -4.139 -4.643 8.217 1.00 0.00 C ATOM 0 H LEU A 135 -2.472 -6.414 11.329 1.00 0.00 H new ATOM 0 HA LEU A 135 -4.679 -4.681 10.927 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -4.109 -7.538 10.068 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -5.470 -6.598 9.489 1.00 0.00 H new ATOM 0 HG LEU A 135 -2.575 -5.788 9.105 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -2.857 -6.555 6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -3.028 -7.892 7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -4.474 -7.179 7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -3.510 -4.261 7.413 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -5.152 -4.795 7.845 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -4.158 -3.924 9.036 1.00 0.00 H new ATOM 2175 N GLY A 136 -5.196 -7.384 12.748 1.00 0.00 N ATOM 2176 CA GLY A 136 -6.135 -7.989 13.674 1.00 0.00 C ATOM 2177 C GLY A 136 -6.445 -7.089 14.854 1.00 0.00 C ATOM 2178 O GLY A 136 -7.591 -7.010 15.297 1.00 0.00 O ATOM 0 H GLY A 136 -4.310 -7.880 12.651 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -7.060 -8.224 13.147 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -5.726 -8.932 14.037 1.00 0.00 H new ATOM 2182 N GLU A 137 -5.422 -6.412 15.366 1.00 0.00 N ATOM 2183 CA GLU A 137 -5.592 -5.516 16.503 1.00 0.00 C ATOM 2184 C GLU A 137 -6.293 -4.227 16.081 1.00 0.00 C ATOM 2185 O GLU A 137 -7.353 -3.883 16.605 1.00 0.00 O ATOM 2186 CB GLU A 137 -4.236 -5.189 17.131 1.00 0.00 C ATOM 2187 CG GLU A 137 -4.330 -4.718 18.573 1.00 0.00 C ATOM 2188 CD GLU A 137 -4.889 -5.781 19.499 1.00 0.00 C ATOM 2189 OE1 GLU A 137 -4.787 -6.978 19.156 1.00 0.00 O ATOM 2190 OE2 GLU A 137 -5.427 -5.416 20.564 1.00 0.00 O ATOM 0 H GLU A 137 -4.467 -6.467 15.011 1.00 0.00 H new ATOM 0 HA GLU A 137 -6.214 -6.023 17.241 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -3.602 -6.075 17.088 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -3.747 -4.417 16.537 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -3.340 -4.423 18.920 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -4.962 -3.831 18.621 1.00 0.00 H new ATOM 2197 N HIS A 138 -5.693 -3.518 15.130 1.00 0.00 N ATOM 2198 CA HIS A 138 -6.258 -2.267 14.637 1.00 0.00 C ATOM 2199 C HIS A 138 -7.518 -2.527 13.817 1.00 0.00 C ATOM 2200 O HIS A 138 -8.590 -2.011 14.127 1.00 0.00 O ATOM 2201 CB HIS A 138 -5.230 -1.517 13.790 1.00 0.00 C ATOM 2202 CG HIS A 138 -4.096 -0.950 14.588 1.00 0.00 C ATOM 2203 ND1 HIS A 138 -3.050 -1.558 15.195 1.00 0.00 N flip ATOM 2204 CD2 HIS A 138 -3.951 0.398 14.837 1.00 0.00 C flip ATOM 2205 CE1 HIS A 138 -2.299 -0.576 15.794 1.00 0.00 C flip ATOM 2206 NE2 HIS A 138 -2.864 0.596 15.562 1.00 0.00 N flip ATOM 0 H HIS A 138 -4.816 -3.789 14.685 1.00 0.00 H new ATOM 0 HA HIS A 138 -6.525 -1.653 15.497 1.00 0.00 H new ATOM 0 HB2 HIS A 138 -4.830 -2.194 13.035 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -5.730 -0.707 13.259 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -4.621 1.172 14.493 1.00 0.00 H new ATOM 0 HE1 HIS A 138 -1.394 -0.736 16.362 1.00 0.00 H new ATOM 0 HE2 HIS A 138 -2.520 1.499 15.887 1.00 0.00 H new ATOM 2215 N GLY A 139 -7.379 -3.331 12.766 1.00 0.00 N ATOM 2216 CA GLY A 139 -8.514 -3.644 11.917 1.00 0.00 C ATOM 2217 C GLY A 139 -8.544 -2.803 10.656 1.00 0.00 C ATOM 2218 O GLY A 139 -7.561 -2.142 10.320 1.00 0.00 O ATOM 0 H GLY A 139 -6.501 -3.770 12.488 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -8.481 -4.699 11.646 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -9.436 -3.488 12.476 1.00 0.00 H new ATOM 2222 N GLN A 140 -9.674 -2.828 9.957 1.00 0.00 N ATOM 2223 CA GLN A 140 -9.826 -2.063 8.725 1.00 0.00 C ATOM 2224 C GLN A 140 -10.401 -0.679 9.010 1.00 0.00 C ATOM 2225 O GLN A 140 -11.262 -0.520 9.877 1.00 0.00 O ATOM 2226 CB GLN A 140 -10.730 -2.811 7.744 1.00 0.00 C ATOM 2227 CG GLN A 140 -11.071 -2.010 6.498 1.00 0.00 C ATOM 2228 CD GLN A 140 -10.021 -2.145 5.412 1.00 0.00 C ATOM 2229 OE1 GLN A 140 -8.877 -2.511 5.681 1.00 0.00 O ATOM 2230 NE2 GLN A 140 -10.406 -1.848 4.176 1.00 0.00 N ATOM 0 H GLN A 140 -10.497 -3.369 10.222 1.00 0.00 H new ATOM 0 HA GLN A 140 -8.839 -1.941 8.279 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -10.240 -3.738 7.447 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -11.654 -3.087 8.252 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -12.034 -2.341 6.110 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -11.179 -0.959 6.765 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -11.365 -1.549 3.999 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -9.743 -1.919 3.404 1.00 0.00 H new ATOM 2239 N LEU A 141 -9.919 0.318 8.277 1.00 0.00 N ATOM 2240 CA LEU A 141 -10.385 1.690 8.452 1.00 0.00 C ATOM 2241 C LEU A 141 -11.873 1.722 8.785 1.00 0.00 C ATOM 2242 O LEU A 141 -12.292 2.381 9.736 1.00 0.00 O ATOM 2243 CB LEU A 141 -10.116 2.505 7.186 1.00 0.00 C ATOM 2244 CG LEU A 141 -8.725 3.129 7.071 1.00 0.00 C ATOM 2245 CD1 LEU A 141 -7.746 2.140 6.457 1.00 0.00 C ATOM 2246 CD2 LEU A 141 -8.780 4.408 6.249 1.00 0.00 C ATOM 0 H LEU A 141 -9.206 0.203 7.556 1.00 0.00 H new ATOM 0 HA LEU A 141 -9.837 2.131 9.284 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -10.275 1.860 6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -10.856 3.303 7.128 1.00 0.00 H new ATOM 0 HG LEU A 141 -8.376 3.380 8.073 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -6.761 2.601 6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -7.684 1.252 7.085 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -8.090 1.857 5.462 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -7.781 4.838 6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -9.150 4.182 5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -9.449 5.121 6.731 1.00 0.00 H new