USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 854 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 132 ASN : amide:sc= -8.69! C(o=-9.3!,f=-15!) USER MOD Set 1.2: A 133 SER OG : rot 180:sc= -0.641 USER MOD Set 2.1: A 79 MET CE :methyl -170:sc= -1.92 (180deg=-1.5) USER MOD Set 2.2: A 117 GLN : amide:sc= -0.895 X(o=-2.8,f=-3.1) USER MOD Set 3.1: A 56 ASN : amide:sc= -1.08 K(o=-1.8,f=-8.6!) USER MOD Set 3.2: A 58 SER OG : rot -81:sc= -0.691 USER MOD Single : A 33 HIS : no HD1:sc=-0.00453 X(o=-0.0045,f=-0.11) USER MOD Single : A 36 THR OG1 : rot 100:sc= -0.318 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.387 X(o=-0.39,f=-0.22) USER MOD Single : A 62 GLN : amide:sc= -3.43! C(o=-3.4!,f=-8.8!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 173:sc= -0.664 (180deg=-0.883) USER MOD Single : A 66 ASN : amide:sc= -0.0278 X(o=-0.028,f=0) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 72 GLN : amide:sc= -0.118 K(o=-0.12,f=-2.2!) USER MOD Single : A 73 ASN : amide:sc= -1.77! K(o=-1.8!,f=-1.2) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.485 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.46) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 34:sc= 0.377 USER MOD Single : A 106 HIS : no HD1:sc= -3.89! C(o=-3.9!,f=-5.5!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -3:sc= 0.442 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 ASN : amide:sc= -0.67 X(o=-0.67,f=-0.27) USER MOD Single : A 119 THR OG1 : rot 45:sc= 1.18 USER MOD Single : A 122 CYS SG : rot 180:sc= -0.285 USER MOD Single : A 124 SER OG : rot 180:sc= -0.263 USER MOD Single : A 125 SER OG : rot 180:sc=-0.00975 USER MOD Single : A 128 THR OG1 : rot 130:sc= -1.2 USER MOD Single : A 134 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 140 MET CE :methyl 142:sc= -0.526 (180deg=-3.2!) USER MOD Single : A 142 LYS NZ :NH3+ -138:sc= -0.86 (180deg=-3.55!) USER MOD ----------------------------------------------------------------- ATOM 439 N HIS A 33 -5.983 4.991 8.493 1.00 0.00 N ATOM 440 CA HIS A 33 -5.077 5.068 9.626 1.00 0.00 C ATOM 441 C HIS A 33 -4.084 3.905 9.570 1.00 0.00 C ATOM 442 O HIS A 33 -4.272 2.890 10.240 1.00 0.00 O ATOM 443 CB HIS A 33 -5.855 5.119 10.942 1.00 0.00 C ATOM 444 CG HIS A 33 -6.611 6.409 11.159 1.00 0.00 C ATOM 445 ND1 HIS A 33 -6.008 7.652 11.087 1.00 0.00 N ATOM 446 CD2 HIS A 33 -7.925 6.634 11.445 1.00 0.00 C ATOM 447 CE1 HIS A 33 -6.927 8.577 11.322 1.00 0.00 C ATOM 448 NE2 HIS A 33 -8.114 7.944 11.544 1.00 0.00 N ATOM 0 HA HIS A 33 -4.503 5.993 9.574 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.560 4.288 10.968 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.160 4.974 11.769 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.683 5.875 11.570 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.764 9.645 11.335 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -9.001 8.402 11.752 1.00 0.00 H new ATOM 456 N ALA A 34 -3.049 4.090 8.764 1.00 0.00 N ATOM 457 CA ALA A 34 -2.027 3.069 8.611 1.00 0.00 C ATOM 458 C ALA A 34 -0.811 3.439 9.463 1.00 0.00 C ATOM 459 O ALA A 34 -0.657 4.592 9.863 1.00 0.00 O ATOM 460 CB ALA A 34 -1.676 2.916 7.130 1.00 0.00 C ATOM 0 H ALA A 34 -2.896 4.932 8.210 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.393 2.104 8.961 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.909 2.150 7.015 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.567 2.624 6.573 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.302 3.865 6.745 1.00 0.00 H new ATOM 466 N ARG A 35 0.020 2.439 9.716 1.00 0.00 N ATOM 467 CA ARG A 35 1.217 2.645 10.513 1.00 0.00 C ATOM 468 C ARG A 35 2.218 1.514 10.270 1.00 0.00 C ATOM 469 O ARG A 35 2.021 0.394 10.741 1.00 0.00 O ATOM 470 CB ARG A 35 0.882 2.708 12.005 1.00 0.00 C ATOM 471 CG ARG A 35 1.732 3.764 12.714 1.00 0.00 C ATOM 472 CD ARG A 35 1.211 5.173 12.425 1.00 0.00 C ATOM 473 NE ARG A 35 1.060 5.926 13.690 1.00 0.00 N ATOM 474 CZ ARG A 35 0.003 5.818 14.506 1.00 0.00 C ATOM 475 NH1 ARG A 35 -1.002 4.988 14.196 1.00 0.00 N ATOM 476 NH2 ARG A 35 -0.049 6.541 15.634 1.00 0.00 N ATOM 0 H ARG A 35 -0.112 1.484 9.383 1.00 0.00 H new ATOM 0 HA ARG A 35 1.657 3.595 10.210 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.175 2.940 12.134 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.052 1.733 12.461 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.722 3.582 13.789 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.768 3.681 12.386 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.900 5.695 11.761 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.252 5.117 11.909 1.00 0.00 H new ATOM 0 HE ARG A 35 1.807 6.567 13.957 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.963 4.438 13.338 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.806 4.906 14.818 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.716 7.173 15.870 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.854 6.459 16.256 1.00 0.00 H new ATOM 490 N THR A 36 3.270 1.845 9.536 1.00 0.00 N ATOM 491 CA THR A 36 4.302 0.870 9.225 1.00 0.00 C ATOM 492 C THR A 36 5.313 0.780 10.370 1.00 0.00 C ATOM 493 O THR A 36 5.557 1.764 11.067 1.00 0.00 O ATOM 494 CB THR A 36 4.933 1.260 7.887 1.00 0.00 C ATOM 495 OG1 THR A 36 4.214 0.491 6.927 1.00 0.00 O ATOM 496 CG2 THR A 36 6.376 0.769 7.754 1.00 0.00 C ATOM 0 H THR A 36 3.430 2.774 9.148 1.00 0.00 H new ATOM 0 HA THR A 36 3.883 -0.131 9.124 1.00 0.00 H new ATOM 0 HB THR A 36 4.908 2.344 7.776 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.532 1.053 6.502 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.776 1.073 6.787 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.982 1.202 8.549 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.399 -0.318 7.831 1.00 0.00 H new ATOM 504 N SER A 37 5.874 -0.410 10.529 1.00 0.00 N ATOM 505 CA SER A 37 6.853 -0.642 11.577 1.00 0.00 C ATOM 506 C SER A 37 7.749 -1.825 11.205 1.00 0.00 C ATOM 507 O SER A 37 7.520 -2.947 11.654 1.00 0.00 O ATOM 508 CB SER A 37 6.170 -0.896 12.922 1.00 0.00 C ATOM 509 OG SER A 37 6.850 -0.254 13.997 1.00 0.00 O ATOM 0 H SER A 37 5.669 -1.224 9.949 1.00 0.00 H new ATOM 0 HA SER A 37 7.467 0.253 11.675 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.141 -0.539 12.879 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.127 -1.969 13.110 1.00 0.00 H new ATOM 0 HG SER A 37 6.382 -0.439 14.838 1.00 0.00 H new ATOM 515 N GLY A 38 8.749 -1.533 10.387 1.00 0.00 N ATOM 516 CA GLY A 38 9.681 -2.559 9.948 1.00 0.00 C ATOM 517 C GLY A 38 10.373 -2.151 8.647 1.00 0.00 C ATOM 518 O GLY A 38 10.778 -1.000 8.489 1.00 0.00 O ATOM 0 H GLY A 38 8.935 -0.601 10.016 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.428 -2.732 10.723 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.150 -3.499 9.802 1.00 0.00 H new ATOM 522 N ARG A 39 10.488 -3.117 7.747 1.00 0.00 N ATOM 523 CA ARG A 39 11.125 -2.872 6.464 1.00 0.00 C ATOM 524 C ARG A 39 10.070 -2.744 5.364 1.00 0.00 C ATOM 525 O ARG A 39 10.207 -1.920 4.460 1.00 0.00 O ATOM 526 CB ARG A 39 12.091 -4.003 6.104 1.00 0.00 C ATOM 527 CG ARG A 39 13.420 -3.844 6.846 1.00 0.00 C ATOM 528 CD ARG A 39 14.516 -4.691 6.194 1.00 0.00 C ATOM 529 NE ARG A 39 14.907 -5.795 7.098 1.00 0.00 N ATOM 530 CZ ARG A 39 15.396 -5.618 8.333 1.00 0.00 C ATOM 531 NH1 ARG A 39 15.556 -4.380 8.819 1.00 0.00 N ATOM 532 NH2 ARG A 39 15.724 -6.680 9.083 1.00 0.00 N ATOM 0 H ARG A 39 10.151 -4.070 7.881 1.00 0.00 H new ATOM 0 HA ARG A 39 11.686 -1.941 6.545 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.642 -4.964 6.356 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.269 -4.006 5.029 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.717 -2.795 6.846 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.297 -4.141 7.888 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.160 -5.095 5.246 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.383 -4.069 5.970 1.00 0.00 H new ATOM 0 HE ARG A 39 14.797 -6.751 6.760 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.306 -3.572 8.249 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.928 -4.245 9.759 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.601 -7.623 8.713 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.096 -6.545 10.023 1.00 0.00 H new ATOM 546 N VAL A 40 9.040 -3.570 5.476 1.00 0.00 N ATOM 547 CA VAL A 40 7.962 -3.559 4.502 1.00 0.00 C ATOM 548 C VAL A 40 6.855 -2.619 4.983 1.00 0.00 C ATOM 549 O VAL A 40 6.785 -2.291 6.167 1.00 0.00 O ATOM 550 CB VAL A 40 7.468 -4.986 4.252 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.326 -5.000 3.233 1.00 0.00 C ATOM 552 CG2 VAL A 40 8.616 -5.892 3.802 1.00 0.00 C ATOM 0 H VAL A 40 8.929 -4.251 6.227 1.00 0.00 H new ATOM 0 HA VAL A 40 8.317 -3.179 3.544 1.00 0.00 H new ATOM 0 HB VAL A 40 7.082 -5.377 5.193 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.993 -6.026 3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.495 -4.403 3.610 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.675 -4.581 2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.238 -6.900 3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.045 -5.504 2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.383 -5.918 4.576 1.00 0.00 H new ATOM 562 N ALA A 41 6.017 -2.212 4.041 1.00 0.00 N ATOM 563 CA ALA A 41 4.917 -1.316 4.355 1.00 0.00 C ATOM 564 C ALA A 41 3.742 -1.612 3.420 1.00 0.00 C ATOM 565 O ALA A 41 3.941 -1.964 2.259 1.00 0.00 O ATOM 566 CB ALA A 41 5.393 0.134 4.250 1.00 0.00 C ATOM 0 H ALA A 41 6.078 -2.486 3.060 1.00 0.00 H new ATOM 0 HA ALA A 41 4.574 -1.473 5.378 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.568 0.806 4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.209 0.301 4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.742 0.330 3.236 1.00 0.00 H new ATOM 572 N VAL A 42 2.543 -1.458 3.963 1.00 0.00 N ATOM 573 CA VAL A 42 1.336 -1.705 3.192 1.00 0.00 C ATOM 574 C VAL A 42 1.109 -0.544 2.222 1.00 0.00 C ATOM 575 O VAL A 42 0.377 0.395 2.532 1.00 0.00 O ATOM 576 CB VAL A 42 0.152 -1.937 4.133 1.00 0.00 C ATOM 577 CG1 VAL A 42 -1.092 -2.366 3.354 1.00 0.00 C ATOM 578 CG2 VAL A 42 0.503 -2.963 5.213 1.00 0.00 C ATOM 0 H VAL A 42 2.382 -1.166 4.927 1.00 0.00 H new ATOM 0 HA VAL A 42 1.443 -2.611 2.596 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.072 -0.992 4.628 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.919 -2.524 4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.361 -1.587 2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.885 -3.293 2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.356 -3.110 5.868 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.767 -3.910 4.743 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.348 -2.601 5.798 1.00 0.00 H new ATOM 588 N GLU A 43 1.751 -0.645 1.067 1.00 0.00 N ATOM 589 CA GLU A 43 1.628 0.385 0.050 1.00 0.00 C ATOM 590 C GLU A 43 0.189 0.900 -0.014 1.00 0.00 C ATOM 591 O GLU A 43 -0.065 2.077 0.234 1.00 0.00 O ATOM 592 CB GLU A 43 2.086 -0.134 -1.314 1.00 0.00 C ATOM 593 CG GLU A 43 2.541 1.016 -2.215 1.00 0.00 C ATOM 594 CD GLU A 43 1.486 1.331 -3.277 1.00 0.00 C ATOM 595 OE1 GLU A 43 0.470 1.956 -2.901 1.00 0.00 O ATOM 596 OE2 GLU A 43 1.718 0.940 -4.441 1.00 0.00 O ATOM 0 H GLU A 43 2.358 -1.425 0.813 1.00 0.00 H new ATOM 0 HA GLU A 43 2.278 1.216 0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.904 -0.842 -1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.270 -0.675 -1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.730 1.903 -1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.482 0.753 -2.699 1.00 0.00 H new ATOM 603 N GLU A 44 -0.716 -0.009 -0.348 1.00 0.00 N ATOM 604 CA GLU A 44 -2.123 0.338 -0.448 1.00 0.00 C ATOM 605 C GLU A 44 -2.984 -0.927 -0.442 1.00 0.00 C ATOM 606 O GLU A 44 -2.700 -1.878 -1.168 1.00 0.00 O ATOM 607 CB GLU A 44 -2.394 1.180 -1.697 1.00 0.00 C ATOM 608 CG GLU A 44 -3.889 1.465 -1.853 1.00 0.00 C ATOM 609 CD GLU A 44 -4.267 2.788 -1.184 1.00 0.00 C ATOM 610 OE1 GLU A 44 -3.656 3.090 -0.137 1.00 0.00 O ATOM 611 OE2 GLU A 44 -5.159 3.468 -1.736 1.00 0.00 O ATOM 0 H GLU A 44 -0.502 -0.985 -0.553 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.390 0.940 0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.846 2.120 -1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.026 0.657 -2.580 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.148 1.501 -2.911 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.466 0.652 -1.412 1.00 0.00 H new ATOM 618 N VAL A 45 -4.019 -0.896 0.385 1.00 0.00 N ATOM 619 CA VAL A 45 -4.923 -2.029 0.494 1.00 0.00 C ATOM 620 C VAL A 45 -6.336 -1.587 0.109 1.00 0.00 C ATOM 621 O VAL A 45 -7.025 -0.942 0.897 1.00 0.00 O ATOM 622 CB VAL A 45 -4.846 -2.625 1.901 1.00 0.00 C ATOM 623 CG1 VAL A 45 -6.096 -3.448 2.217 1.00 0.00 C ATOM 624 CG2 VAL A 45 -3.579 -3.466 2.072 1.00 0.00 C ATOM 0 H VAL A 45 -4.252 -0.105 0.985 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.630 -2.820 -0.197 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.799 -1.800 2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.016 -3.860 3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.977 -2.809 2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.187 -4.262 1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.549 -3.878 3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.582 -4.280 1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.702 -2.840 1.910 1.00 0.00 H new ATOM 634 N ASP A 46 -6.725 -1.952 -1.104 1.00 0.00 N ATOM 635 CA ASP A 46 -8.044 -1.602 -1.604 1.00 0.00 C ATOM 636 C ASP A 46 -9.083 -1.853 -0.509 1.00 0.00 C ATOM 637 O ASP A 46 -9.377 -3.000 -0.179 1.00 0.00 O ATOM 638 CB ASP A 46 -8.418 -2.457 -2.816 1.00 0.00 C ATOM 639 CG ASP A 46 -9.455 -1.833 -3.752 1.00 0.00 C ATOM 640 OD1 ASP A 46 -9.283 -0.637 -4.073 1.00 0.00 O ATOM 641 OD2 ASP A 46 -10.396 -2.565 -4.126 1.00 0.00 O ATOM 0 H ASP A 46 -6.150 -2.487 -1.755 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.027 -0.552 -1.895 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.514 -2.666 -3.388 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.800 -3.415 -2.462 1.00 0.00 H new ATOM 646 N GLU A 47 -9.609 -0.760 0.024 1.00 0.00 N ATOM 647 CA GLU A 47 -10.609 -0.847 1.075 1.00 0.00 C ATOM 648 C GLU A 47 -11.797 -1.691 0.609 1.00 0.00 C ATOM 649 O GLU A 47 -12.424 -2.382 1.410 1.00 0.00 O ATOM 650 CB GLU A 47 -11.065 0.546 1.514 1.00 0.00 C ATOM 651 CG GLU A 47 -11.525 1.376 0.314 1.00 0.00 C ATOM 652 CD GLU A 47 -12.289 2.621 0.769 1.00 0.00 C ATOM 653 OE1 GLU A 47 -11.646 3.479 1.411 1.00 0.00 O ATOM 654 OE2 GLU A 47 -13.500 2.686 0.465 1.00 0.00 O ATOM 0 H GLU A 47 -9.362 0.190 -0.252 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.158 -1.335 1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.880 0.456 2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.247 1.057 2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.661 1.672 -0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.162 0.769 -0.330 1.00 0.00 H new ATOM 661 N GLU A 48 -12.070 -1.608 -0.685 1.00 0.00 N ATOM 662 CA GLU A 48 -13.171 -2.356 -1.267 1.00 0.00 C ATOM 663 C GLU A 48 -13.002 -3.851 -0.990 1.00 0.00 C ATOM 664 O GLU A 48 -13.985 -4.563 -0.788 1.00 0.00 O ATOM 665 CB GLU A 48 -13.284 -2.086 -2.769 1.00 0.00 C ATOM 666 CG GLU A 48 -14.362 -1.040 -3.059 1.00 0.00 C ATOM 667 CD GLU A 48 -15.753 -1.676 -3.074 1.00 0.00 C ATOM 668 OE1 GLU A 48 -16.034 -2.404 -4.050 1.00 0.00 O ATOM 669 OE2 GLU A 48 -16.505 -1.419 -2.109 1.00 0.00 O ATOM 0 H GLU A 48 -11.547 -1.034 -1.347 1.00 0.00 H new ATOM 0 HA GLU A 48 -14.098 -2.022 -0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.324 -1.740 -3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.521 -3.013 -3.292 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.325 -0.255 -2.303 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.165 -0.566 -4.020 1.00 0.00 H new ATOM 676 N GLY A 49 -11.750 -4.283 -0.989 1.00 0.00 N ATOM 677 CA GLY A 49 -11.440 -5.680 -0.740 1.00 0.00 C ATOM 678 C GLY A 49 -11.295 -6.453 -2.053 1.00 0.00 C ATOM 679 O GLY A 49 -12.080 -7.356 -2.336 1.00 0.00 O ATOM 0 H GLY A 49 -10.938 -3.689 -1.157 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.516 -5.754 -0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.228 -6.129 -0.135 1.00 0.00 H new ATOM 683 N LYS A 50 -10.286 -6.068 -2.821 1.00 0.00 N ATOM 684 CA LYS A 50 -10.029 -6.713 -4.097 1.00 0.00 C ATOM 685 C LYS A 50 -8.592 -7.239 -4.117 1.00 0.00 C ATOM 686 O LYS A 50 -8.360 -8.411 -4.409 1.00 0.00 O ATOM 687 CB LYS A 50 -10.352 -5.763 -5.252 1.00 0.00 C ATOM 688 CG LYS A 50 -11.840 -5.817 -5.606 1.00 0.00 C ATOM 689 CD LYS A 50 -12.063 -5.495 -7.085 1.00 0.00 C ATOM 690 CE LYS A 50 -12.153 -3.984 -7.309 1.00 0.00 C ATOM 691 NZ LYS A 50 -12.678 -3.691 -8.662 1.00 0.00 N ATOM 0 H LYS A 50 -9.637 -5.318 -2.584 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.686 -7.573 -4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.076 -4.745 -4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.757 -6.030 -6.125 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.235 -6.808 -5.382 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.391 -5.107 -4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.246 -5.906 -7.678 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.980 -5.973 -7.431 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.802 -3.537 -6.556 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.168 -3.533 -7.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.733 -2.661 -8.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.044 -4.101 -9.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.627 -4.104 -8.763 1.00 0.00 H new ATOM 705 N PHE A 51 -7.664 -6.346 -3.803 1.00 0.00 N ATOM 706 CA PHE A 51 -6.257 -6.706 -3.782 1.00 0.00 C ATOM 707 C PHE A 51 -5.511 -5.936 -2.690 1.00 0.00 C ATOM 708 O PHE A 51 -5.946 -4.863 -2.274 1.00 0.00 O ATOM 709 CB PHE A 51 -5.677 -6.324 -5.145 1.00 0.00 C ATOM 710 CG PHE A 51 -5.577 -4.815 -5.379 1.00 0.00 C ATOM 711 CD1 PHE A 51 -4.507 -4.123 -4.905 1.00 0.00 C ATOM 712 CD2 PHE A 51 -6.559 -4.167 -6.060 1.00 0.00 C ATOM 713 CE1 PHE A 51 -4.415 -2.723 -5.122 1.00 0.00 C ATOM 714 CE2 PHE A 51 -6.467 -2.766 -6.277 1.00 0.00 C ATOM 715 CZ PHE A 51 -5.397 -2.074 -5.803 1.00 0.00 C ATOM 0 H PHE A 51 -7.860 -5.375 -3.561 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.148 -7.771 -3.578 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.684 -6.763 -5.241 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.296 -6.762 -5.928 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.727 -4.638 -4.364 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.409 -4.717 -6.436 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.565 -2.173 -4.746 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.247 -2.251 -6.818 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.327 -1.009 -5.967 1.00 0.00 H new ATOM 725 N VAL A 52 -4.400 -6.514 -2.257 1.00 0.00 N ATOM 726 CA VAL A 52 -3.590 -5.895 -1.221 1.00 0.00 C ATOM 727 C VAL A 52 -2.194 -5.605 -1.777 1.00 0.00 C ATOM 728 O VAL A 52 -1.451 -6.527 -2.111 1.00 0.00 O ATOM 729 CB VAL A 52 -3.564 -6.784 0.024 1.00 0.00 C ATOM 730 CG1 VAL A 52 -2.434 -6.372 0.969 1.00 0.00 C ATOM 731 CG2 VAL A 52 -4.915 -6.760 0.742 1.00 0.00 C ATOM 0 H VAL A 52 -4.042 -7.404 -2.604 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.023 -4.943 -0.915 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.374 -7.807 -0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.438 -7.020 1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.478 -6.464 0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.580 -5.338 1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.870 -7.400 1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.147 -5.739 1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.691 -7.124 0.069 1.00 0.00 H new ATOM 741 N ARG A 53 -1.880 -4.320 -1.859 1.00 0.00 N ATOM 742 CA ARG A 53 -0.587 -3.897 -2.368 1.00 0.00 C ATOM 743 C ARG A 53 0.384 -3.648 -1.212 1.00 0.00 C ATOM 744 O ARG A 53 0.083 -2.880 -0.300 1.00 0.00 O ATOM 745 CB ARG A 53 -0.714 -2.621 -3.202 1.00 0.00 C ATOM 746 CG ARG A 53 -0.400 -2.894 -4.675 1.00 0.00 C ATOM 747 CD ARG A 53 0.530 -1.821 -5.245 1.00 0.00 C ATOM 748 NE ARG A 53 0.014 -1.345 -6.548 1.00 0.00 N ATOM 749 CZ ARG A 53 -1.152 -0.705 -6.705 1.00 0.00 C ATOM 750 NH1 ARG A 53 -1.931 -0.460 -5.643 1.00 0.00 N ATOM 751 NH2 ARG A 53 -1.540 -0.309 -7.925 1.00 0.00 N ATOM 0 H ARG A 53 -2.499 -3.558 -1.581 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.204 -4.696 -3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.724 -2.221 -3.110 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.034 -1.861 -2.816 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.065 -3.875 -4.776 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.326 -2.920 -5.249 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.606 -0.987 -4.548 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.534 -2.226 -5.368 1.00 0.00 H new ATOM 0 HE ARG A 53 0.582 -1.515 -7.378 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.636 -0.761 -4.714 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.819 0.027 -5.763 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.947 -0.495 -8.734 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.428 0.178 -8.045 1.00 0.00 H new ATOM 765 N LEU A 54 1.528 -4.311 -1.289 1.00 0.00 N ATOM 766 CA LEU A 54 2.544 -4.171 -0.260 1.00 0.00 C ATOM 767 C LEU A 54 3.865 -3.749 -0.907 1.00 0.00 C ATOM 768 O LEU A 54 4.336 -4.394 -1.843 1.00 0.00 O ATOM 769 CB LEU A 54 2.648 -5.453 0.569 1.00 0.00 C ATOM 770 CG LEU A 54 1.323 -6.125 0.935 1.00 0.00 C ATOM 771 CD1 LEU A 54 1.534 -7.599 1.287 1.00 0.00 C ATOM 772 CD2 LEU A 54 0.614 -5.363 2.057 1.00 0.00 C ATOM 0 H LEU A 54 1.774 -4.947 -2.048 1.00 0.00 H new ATOM 0 HA LEU A 54 2.267 -3.385 0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.256 -6.170 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.183 -5.224 1.491 1.00 0.00 H new ATOM 0 HG LEU A 54 0.671 -6.093 0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.577 -8.053 1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.965 -8.119 0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.211 -7.677 2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.325 -5.861 2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.251 -5.342 2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.410 -4.343 1.732 1.00 0.00 H new ATOM 784 N ARG A 55 4.424 -2.668 -0.384 1.00 0.00 N ATOM 785 CA ARG A 55 5.681 -2.152 -0.900 1.00 0.00 C ATOM 786 C ARG A 55 6.750 -2.168 0.195 1.00 0.00 C ATOM 787 O ARG A 55 6.442 -1.981 1.371 1.00 0.00 O ATOM 788 CB ARG A 55 5.517 -0.724 -1.422 1.00 0.00 C ATOM 789 CG ARG A 55 6.877 -0.089 -1.719 1.00 0.00 C ATOM 790 CD ARG A 55 6.746 1.026 -2.760 1.00 0.00 C ATOM 791 NE ARG A 55 6.098 2.210 -2.154 1.00 0.00 N ATOM 792 CZ ARG A 55 5.784 3.323 -2.831 1.00 0.00 C ATOM 793 NH1 ARG A 55 6.058 3.411 -4.140 1.00 0.00 N ATOM 794 NH2 ARG A 55 5.197 4.349 -2.199 1.00 0.00 N ATOM 0 H ARG A 55 4.030 -2.135 0.391 1.00 0.00 H new ATOM 0 HA ARG A 55 5.990 -2.795 -1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.910 -0.731 -2.327 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.984 -0.123 -0.685 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.302 0.315 -0.800 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.567 -0.851 -2.082 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.731 1.296 -3.142 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.160 0.675 -3.609 1.00 0.00 H new ATOM 0 HE ARG A 55 5.876 2.177 -1.159 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.506 2.631 -4.621 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.819 4.258 -4.655 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.989 4.283 -1.203 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.958 5.196 -2.714 1.00 0.00 H new ATOM 808 N ASN A 56 7.985 -2.392 -0.231 1.00 0.00 N ATOM 809 CA ASN A 56 9.101 -2.434 0.698 1.00 0.00 C ATOM 810 C ASN A 56 9.738 -1.046 0.786 1.00 0.00 C ATOM 811 O ASN A 56 9.931 -0.382 -0.231 1.00 0.00 O ATOM 812 CB ASN A 56 10.173 -3.418 0.226 1.00 0.00 C ATOM 813 CG ASN A 56 11.137 -3.765 1.362 1.00 0.00 C ATOM 814 OD1 ASN A 56 11.029 -3.275 2.474 1.00 0.00 O ATOM 815 ND2 ASN A 56 12.082 -4.637 1.022 1.00 0.00 N ATOM 0 H ASN A 56 8.237 -2.546 -1.207 1.00 0.00 H new ATOM 0 HA ASN A 56 8.721 -2.753 1.668 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.699 -4.327 -0.144 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.727 -2.985 -0.607 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.773 -4.934 1.711 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.115 -5.009 0.073 1.00 0.00 H new ATOM 822 N LYS A 57 10.048 -0.649 2.012 1.00 0.00 N ATOM 823 CA LYS A 57 10.659 0.648 2.246 1.00 0.00 C ATOM 824 C LYS A 57 12.154 0.461 2.517 1.00 0.00 C ATOM 825 O LYS A 57 12.947 1.375 2.297 1.00 0.00 O ATOM 826 CB LYS A 57 9.921 1.395 3.358 1.00 0.00 C ATOM 827 CG LYS A 57 8.414 1.417 3.097 1.00 0.00 C ATOM 828 CD LYS A 57 8.031 2.589 2.190 1.00 0.00 C ATOM 829 CE LYS A 57 6.890 2.202 1.248 1.00 0.00 C ATOM 830 NZ LYS A 57 5.755 3.140 1.396 1.00 0.00 N ATOM 0 H LYS A 57 9.887 -1.203 2.853 1.00 0.00 H new ATOM 0 HA LYS A 57 10.571 1.276 1.360 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.121 0.917 4.317 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.297 2.416 3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.108 0.479 2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.879 1.495 4.043 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.731 3.442 2.799 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.898 2.902 1.608 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.243 2.209 0.217 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.560 1.186 1.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.989 2.863 0.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.408 3.113 2.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.070 4.104 1.167 1.00 0.00 H new ATOM 844 N SER A 58 12.492 -0.729 2.991 1.00 0.00 N ATOM 845 CA SER A 58 13.877 -1.048 3.294 1.00 0.00 C ATOM 846 C SER A 58 14.723 -0.969 2.022 1.00 0.00 C ATOM 847 O SER A 58 14.185 -0.875 0.920 1.00 0.00 O ATOM 848 CB SER A 58 13.997 -2.436 3.927 1.00 0.00 C ATOM 849 OG SER A 58 13.408 -3.446 3.112 1.00 0.00 O ATOM 0 H SER A 58 11.831 -1.484 3.173 1.00 0.00 H new ATOM 0 HA SER A 58 14.246 -0.317 4.014 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.049 -2.670 4.091 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.515 -2.432 4.905 1.00 0.00 H new ATOM 0 HG SER A 58 12.437 -3.450 3.247 1.00 0.00 H new ATOM 855 N ASN A 59 16.033 -1.010 2.217 1.00 0.00 N ATOM 856 CA ASN A 59 16.958 -0.945 1.099 1.00 0.00 C ATOM 857 C ASN A 59 17.457 -2.354 0.772 1.00 0.00 C ATOM 858 O ASN A 59 17.833 -2.635 -0.365 1.00 0.00 O ATOM 859 CB ASN A 59 18.173 -0.080 1.440 1.00 0.00 C ATOM 860 CG ASN A 59 19.231 -0.892 2.190 1.00 0.00 C ATOM 861 OD1 ASN A 59 20.227 -1.326 1.635 1.00 0.00 O ATOM 862 ND2 ASN A 59 18.960 -1.072 3.480 1.00 0.00 N ATOM 0 H ASN A 59 16.475 -1.087 3.133 1.00 0.00 H new ATOM 0 HA ASN A 59 16.431 -0.509 0.250 1.00 0.00 H new ATOM 0 HB2 ASN A 59 18.603 0.327 0.525 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.861 0.768 2.049 1.00 0.00 H new ATOM 0 HD21 ASN A 59 19.605 -1.601 4.068 1.00 0.00 H new ATOM 0 HD22 ASN A 59 18.108 -0.681 3.881 1.00 0.00 H new ATOM 869 N GLU A 60 17.445 -3.202 1.790 1.00 0.00 N ATOM 870 CA GLU A 60 17.892 -4.575 1.626 1.00 0.00 C ATOM 871 C GLU A 60 16.703 -5.486 1.310 1.00 0.00 C ATOM 872 O GLU A 60 15.675 -5.426 1.983 1.00 0.00 O ATOM 873 CB GLU A 60 18.640 -5.061 2.868 1.00 0.00 C ATOM 874 CG GLU A 60 20.154 -4.943 2.678 1.00 0.00 C ATOM 875 CD GLU A 60 20.616 -5.742 1.458 1.00 0.00 C ATOM 876 OE1 GLU A 60 20.588 -6.988 1.551 1.00 0.00 O ATOM 877 OE2 GLU A 60 20.987 -5.088 0.459 1.00 0.00 O ATOM 0 H GLU A 60 17.133 -2.965 2.732 1.00 0.00 H new ATOM 0 HA GLU A 60 18.587 -4.612 0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.332 -4.476 3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.375 -6.098 3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 60 20.429 -3.895 2.556 1.00 0.00 H new ATOM 0 HG3 GLU A 60 20.666 -5.305 3.570 1.00 0.00 H new ATOM 884 N ASP A 61 16.883 -6.308 0.287 1.00 0.00 N ATOM 885 CA ASP A 61 15.839 -7.230 -0.125 1.00 0.00 C ATOM 886 C ASP A 61 15.236 -7.897 1.112 1.00 0.00 C ATOM 887 O ASP A 61 15.931 -8.597 1.846 1.00 0.00 O ATOM 888 CB ASP A 61 16.400 -8.329 -1.029 1.00 0.00 C ATOM 889 CG ASP A 61 17.784 -8.848 -0.634 1.00 0.00 C ATOM 890 OD1 ASP A 61 18.757 -8.094 -0.855 1.00 0.00 O ATOM 891 OD2 ASP A 61 17.838 -9.985 -0.119 1.00 0.00 O ATOM 0 H ASP A 61 17.737 -6.355 -0.269 1.00 0.00 H new ATOM 0 HA ASP A 61 15.085 -6.663 -0.672 1.00 0.00 H new ATOM 0 HB2 ASP A 61 15.702 -9.166 -1.033 1.00 0.00 H new ATOM 0 HB3 ASP A 61 16.449 -7.949 -2.050 1.00 0.00 H new ATOM 896 N GLN A 62 13.947 -7.655 1.307 1.00 0.00 N ATOM 897 CA GLN A 62 13.243 -8.224 2.443 1.00 0.00 C ATOM 898 C GLN A 62 12.770 -9.643 2.118 1.00 0.00 C ATOM 899 O GLN A 62 12.639 -10.005 0.950 1.00 0.00 O ATOM 900 CB GLN A 62 12.068 -7.337 2.860 1.00 0.00 C ATOM 901 CG GLN A 62 11.388 -7.882 4.117 1.00 0.00 C ATOM 902 CD GLN A 62 12.398 -8.064 5.252 1.00 0.00 C ATOM 903 OE1 GLN A 62 13.237 -7.218 5.513 1.00 0.00 O ATOM 904 NE2 GLN A 62 12.271 -9.213 5.909 1.00 0.00 N ATOM 0 H GLN A 62 13.373 -7.073 0.697 1.00 0.00 H new ATOM 0 HA GLN A 62 13.934 -8.276 3.285 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.421 -6.322 3.044 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.345 -7.280 2.047 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.599 -7.199 4.433 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.912 -8.837 3.892 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.546 -9.878 5.638 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.898 -9.430 6.684 1.00 0.00 H new ATOM 913 N SER A 63 12.526 -10.407 3.173 1.00 0.00 N ATOM 914 CA SER A 63 12.071 -11.777 3.015 1.00 0.00 C ATOM 915 C SER A 63 10.762 -11.986 3.780 1.00 0.00 C ATOM 916 O SER A 63 10.706 -11.774 4.990 1.00 0.00 O ATOM 917 CB SER A 63 13.131 -12.769 3.497 1.00 0.00 C ATOM 918 OG SER A 63 12.729 -14.121 3.295 1.00 0.00 O ATOM 0 H SER A 63 12.635 -10.103 4.140 1.00 0.00 H new ATOM 0 HA SER A 63 11.898 -11.959 1.954 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.066 -12.586 2.967 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.327 -12.604 4.556 1.00 0.00 H new ATOM 0 HG SER A 63 13.433 -14.723 3.614 1.00 0.00 H new ATOM 924 N MET A 64 9.742 -12.398 3.042 1.00 0.00 N ATOM 925 CA MET A 64 8.438 -12.637 3.636 1.00 0.00 C ATOM 926 C MET A 64 8.154 -14.136 3.751 1.00 0.00 C ATOM 927 O MET A 64 7.067 -14.594 3.401 1.00 0.00 O ATOM 928 CB MET A 64 7.357 -11.977 2.778 1.00 0.00 C ATOM 929 CG MET A 64 7.863 -10.666 2.172 1.00 0.00 C ATOM 930 SD MET A 64 6.550 -9.866 1.265 1.00 0.00 S ATOM 931 CE MET A 64 5.489 -9.383 2.617 1.00 0.00 C ATOM 0 H MET A 64 9.792 -12.572 2.038 1.00 0.00 H new ATOM 0 HA MET A 64 8.432 -12.207 4.638 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.054 -12.657 1.982 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.473 -11.784 3.386 1.00 0.00 H new ATOM 0 HG2 MET A 64 8.225 -10.007 2.961 1.00 0.00 H new ATOM 0 HG3 MET A 64 8.706 -10.863 1.510 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.679 -8.760 2.239 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.073 -10.273 3.089 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.067 -8.821 3.350 1.00 0.00 H new ATOM 941 N GLY A 65 9.150 -14.859 4.242 1.00 0.00 N ATOM 942 CA GLY A 65 9.021 -16.296 4.406 1.00 0.00 C ATOM 943 C GLY A 65 8.219 -16.634 5.665 1.00 0.00 C ATOM 944 O GLY A 65 8.672 -16.382 6.780 1.00 0.00 O ATOM 0 H GLY A 65 10.050 -14.476 4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.529 -16.723 3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.010 -16.749 4.468 1.00 0.00 H new ATOM 948 N ASN A 66 7.042 -17.200 5.444 1.00 0.00 N ATOM 949 CA ASN A 66 6.173 -17.575 6.546 1.00 0.00 C ATOM 950 C ASN A 66 5.404 -16.342 7.025 1.00 0.00 C ATOM 951 O ASN A 66 4.686 -16.403 8.023 1.00 0.00 O ATOM 952 CB ASN A 66 6.982 -18.116 7.726 1.00 0.00 C ATOM 953 CG ASN A 66 6.423 -19.457 8.206 1.00 0.00 C ATOM 954 OD1 ASN A 66 5.938 -19.595 9.316 1.00 0.00 O ATOM 955 ND2 ASN A 66 6.519 -20.435 7.309 1.00 0.00 N ATOM 0 H ASN A 66 6.670 -17.408 4.517 1.00 0.00 H new ATOM 0 HA ASN A 66 5.493 -18.349 6.191 1.00 0.00 H new ATOM 0 HB2 ASN A 66 8.024 -18.237 7.432 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.963 -17.396 8.545 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.175 -21.369 7.534 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.937 -20.251 6.397 1.00 0.00 H new ATOM 962 N TRP A 67 5.579 -15.253 6.292 1.00 0.00 N ATOM 963 CA TRP A 67 4.910 -14.008 6.630 1.00 0.00 C ATOM 964 C TRP A 67 3.407 -14.208 6.427 1.00 0.00 C ATOM 965 O TRP A 67 2.985 -15.193 5.823 1.00 0.00 O ATOM 966 CB TRP A 67 5.474 -12.843 5.814 1.00 0.00 C ATOM 967 CG TRP A 67 6.822 -12.324 6.319 1.00 0.00 C ATOM 968 CD1 TRP A 67 7.838 -13.030 6.832 1.00 0.00 C ATOM 969 CD2 TRP A 67 7.261 -10.950 6.337 1.00 0.00 C ATOM 970 NE1 TRP A 67 8.896 -12.215 7.179 1.00 0.00 N ATOM 971 CE2 TRP A 67 8.534 -10.910 6.869 1.00 0.00 C ATOM 972 CE3 TRP A 67 6.605 -9.779 5.919 1.00 0.00 C ATOM 973 CZ2 TRP A 67 9.260 -9.724 7.031 1.00 0.00 C ATOM 974 CZ3 TRP A 67 7.344 -8.602 6.088 1.00 0.00 C ATOM 975 CH2 TRP A 67 8.626 -8.545 6.621 1.00 0.00 C ATOM 0 H TRP A 67 6.174 -15.206 5.465 1.00 0.00 H new ATOM 0 HA TRP A 67 5.088 -13.746 7.673 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.584 -13.159 4.777 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.754 -12.024 5.824 1.00 0.00 H new ATOM 0 HD1 TRP A 67 7.830 -14.103 6.958 1.00 0.00 H new ATOM 0 HE1 TRP A 67 9.781 -12.515 7.588 1.00 0.00 H new ATOM 0 HE3 TRP A 67 5.609 -9.787 5.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 10.256 -9.719 7.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 6.885 -7.673 5.783 1.00 0.00 H new ATOM 0 HH2 TRP A 67 9.131 -7.595 6.719 1.00 0.00 H new ATOM 986 N GLN A 68 2.641 -13.258 6.943 1.00 0.00 N ATOM 987 CA GLN A 68 1.194 -13.318 6.825 1.00 0.00 C ATOM 988 C GLN A 68 0.610 -11.907 6.726 1.00 0.00 C ATOM 989 O GLN A 68 1.311 -10.924 6.961 1.00 0.00 O ATOM 990 CB GLN A 68 0.580 -14.084 7.999 1.00 0.00 C ATOM 991 CG GLN A 68 1.626 -14.962 8.688 1.00 0.00 C ATOM 992 CD GLN A 68 0.973 -15.888 9.717 1.00 0.00 C ATOM 993 OE1 GLN A 68 -0.239 -15.985 9.822 1.00 0.00 O ATOM 994 NE2 GLN A 68 1.841 -16.559 10.468 1.00 0.00 N ATOM 0 H GLN A 68 2.995 -12.443 7.444 1.00 0.00 H new ATOM 0 HA GLN A 68 0.946 -13.858 5.911 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.161 -13.380 8.718 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.243 -14.704 7.643 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.155 -15.556 7.943 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.368 -14.332 9.179 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.843 -16.431 10.327 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.505 -17.202 11.185 1.00 0.00 H new ATOM 1003 N ILE A 69 -0.667 -11.852 6.378 1.00 0.00 N ATOM 1004 CA ILE A 69 -1.352 -10.578 6.245 1.00 0.00 C ATOM 1005 C ILE A 69 -2.727 -10.672 6.909 1.00 0.00 C ATOM 1006 O ILE A 69 -3.607 -11.382 6.426 1.00 0.00 O ATOM 1007 CB ILE A 69 -1.406 -10.149 4.777 1.00 0.00 C ATOM 1008 CG1 ILE A 69 -0.178 -10.650 4.014 1.00 0.00 C ATOM 1009 CG2 ILE A 69 -1.579 -8.634 4.655 1.00 0.00 C ATOM 1010 CD1 ILE A 69 -0.265 -10.281 2.532 1.00 0.00 C ATOM 0 H ILE A 69 -1.245 -12.669 6.184 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.800 -9.793 6.762 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.280 -10.610 4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.725 -10.219 4.447 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.097 -11.732 4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.614 -8.355 3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.507 -8.333 5.141 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.739 -8.132 5.135 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.620 -10.649 2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.156 -10.734 2.096 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.322 -9.197 2.430 1.00 0.00 H new ATOM 1022 N ARG A 70 -2.869 -9.945 8.008 1.00 0.00 N ATOM 1023 CA ARG A 70 -4.122 -9.937 8.743 1.00 0.00 C ATOM 1024 C ARG A 70 -5.102 -8.945 8.113 1.00 0.00 C ATOM 1025 O ARG A 70 -4.704 -7.863 7.682 1.00 0.00 O ATOM 1026 CB ARG A 70 -3.898 -9.559 10.209 1.00 0.00 C ATOM 1027 CG ARG A 70 -3.424 -10.767 11.020 1.00 0.00 C ATOM 1028 CD ARG A 70 -3.468 -10.472 12.520 1.00 0.00 C ATOM 1029 NE ARG A 70 -2.383 -11.204 13.212 1.00 0.00 N ATOM 1030 CZ ARG A 70 -2.346 -12.536 13.350 1.00 0.00 C ATOM 1031 NH1 ARG A 70 -3.331 -13.291 12.845 1.00 0.00 N ATOM 1032 NH2 ARG A 70 -1.322 -13.115 13.994 1.00 0.00 N ATOM 0 H ARG A 70 -2.137 -9.357 8.407 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.539 -10.943 8.698 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.159 -8.760 10.274 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.824 -9.172 10.634 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.053 -11.629 10.797 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.408 -11.030 10.727 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.362 -9.401 12.692 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.435 -10.766 12.929 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.616 -10.660 13.608 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.110 -12.852 12.355 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.302 -14.305 12.951 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.572 -12.541 14.379 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.294 -14.129 14.099 1.00 0.00 H new ATOM 1046 N ARG A 71 -6.363 -9.349 8.079 1.00 0.00 N ATOM 1047 CA ARG A 71 -7.402 -8.509 7.508 1.00 0.00 C ATOM 1048 C ARG A 71 -8.701 -8.658 8.302 1.00 0.00 C ATOM 1049 O ARG A 71 -9.287 -9.739 8.343 1.00 0.00 O ATOM 1050 CB ARG A 71 -7.663 -8.872 6.045 1.00 0.00 C ATOM 1051 CG ARG A 71 -8.996 -8.295 5.565 1.00 0.00 C ATOM 1052 CD ARG A 71 -9.100 -6.805 5.899 1.00 0.00 C ATOM 1053 NE ARG A 71 -9.750 -6.081 4.784 1.00 0.00 N ATOM 1054 CZ ARG A 71 -9.172 -5.857 3.596 1.00 0.00 C ATOM 1055 NH1 ARG A 71 -7.930 -6.299 3.361 1.00 0.00 N ATOM 1056 NH2 ARG A 71 -9.837 -5.190 2.643 1.00 0.00 N ATOM 0 H ARG A 71 -6.689 -10.247 8.437 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.057 -7.476 7.558 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.853 -8.492 5.422 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.670 -9.956 5.932 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.092 -8.438 4.489 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.820 -8.835 6.033 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.674 -6.668 6.816 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.107 -6.394 6.080 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.697 -5.731 4.929 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.423 -6.806 4.086 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.491 -6.128 2.457 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.783 -4.853 2.822 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.397 -5.019 1.739 1.00 0.00 H new ATOM 1070 N GLN A 72 -9.114 -7.557 8.913 1.00 0.00 N ATOM 1071 CA GLN A 72 -10.333 -7.552 9.704 1.00 0.00 C ATOM 1072 C GLN A 72 -11.229 -6.384 9.290 1.00 0.00 C ATOM 1073 O GLN A 72 -10.757 -5.258 9.137 1.00 0.00 O ATOM 1074 CB GLN A 72 -10.016 -7.497 11.200 1.00 0.00 C ATOM 1075 CG GLN A 72 -11.051 -8.281 12.009 1.00 0.00 C ATOM 1076 CD GLN A 72 -12.277 -7.417 12.315 1.00 0.00 C ATOM 1077 OE1 GLN A 72 -12.241 -6.199 12.250 1.00 0.00 O ATOM 1078 NE2 GLN A 72 -13.359 -8.113 12.650 1.00 0.00 N ATOM 0 H GLN A 72 -8.626 -6.662 8.876 1.00 0.00 H new ATOM 0 HA GLN A 72 -10.870 -8.481 9.514 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.022 -7.907 11.380 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.998 -6.459 11.534 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.356 -9.168 11.454 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.604 -8.627 12.941 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -13.320 -9.132 12.685 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -14.229 -7.628 12.872 1.00 0.00 H new ATOM 1087 N ASN A 73 -12.507 -6.690 9.122 1.00 0.00 N ATOM 1088 CA ASN A 73 -13.474 -5.679 8.729 1.00 0.00 C ATOM 1089 C ASN A 73 -14.796 -5.935 9.454 1.00 0.00 C ATOM 1090 O ASN A 73 -15.260 -7.072 9.525 1.00 0.00 O ATOM 1091 CB ASN A 73 -13.743 -5.730 7.223 1.00 0.00 C ATOM 1092 CG ASN A 73 -13.945 -7.171 6.751 1.00 0.00 C ATOM 1093 OD1 ASN A 73 -14.979 -7.783 6.963 1.00 0.00 O ATOM 1094 ND2 ASN A 73 -12.902 -7.678 6.100 1.00 0.00 N ATOM 0 H ASN A 73 -12.896 -7.624 9.251 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.066 -4.703 8.990 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -14.628 -5.139 6.988 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -12.908 -5.281 6.685 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.938 -8.633 5.744 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -12.066 -7.112 5.956 1.00 0.00 H new ATOM 1146 N LEU A 78 -12.247 -12.863 10.911 1.00 0.00 N ATOM 1147 CA LEU A 78 -10.887 -12.375 10.759 1.00 0.00 C ATOM 1148 C LEU A 78 -10.099 -13.344 9.875 1.00 0.00 C ATOM 1149 O LEU A 78 -10.059 -14.544 10.144 1.00 0.00 O ATOM 1150 CB LEU A 78 -10.248 -12.133 12.128 1.00 0.00 C ATOM 1151 CG LEU A 78 -9.085 -11.139 12.159 1.00 0.00 C ATOM 1152 CD1 LEU A 78 -8.438 -11.095 13.544 1.00 0.00 C ATOM 1153 CD2 LEU A 78 -8.067 -11.451 11.060 1.00 0.00 C ATOM 0 HA LEU A 78 -10.883 -11.408 10.256 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.021 -11.779 12.810 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.894 -13.088 12.516 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.481 -10.144 11.957 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.614 -10.381 13.538 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.179 -10.788 14.282 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.059 -12.084 13.800 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.251 -10.730 11.104 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.671 -12.456 11.205 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.553 -11.390 10.086 1.00 0.00 H new ATOM 1165 N MET A 79 -9.490 -12.787 8.838 1.00 0.00 N ATOM 1166 CA MET A 79 -8.705 -13.587 7.913 1.00 0.00 C ATOM 1167 C MET A 79 -7.224 -13.212 7.985 1.00 0.00 C ATOM 1168 O MET A 79 -6.880 -12.098 8.379 1.00 0.00 O ATOM 1169 CB MET A 79 -9.218 -13.370 6.488 1.00 0.00 C ATOM 1170 CG MET A 79 -9.108 -11.899 6.083 1.00 0.00 C ATOM 1171 SD MET A 79 -10.704 -11.285 5.572 1.00 0.00 S ATOM 1172 CE MET A 79 -10.874 -12.127 4.008 1.00 0.00 C ATOM 0 H MET A 79 -9.524 -11.792 8.618 1.00 0.00 H new ATOM 0 HA MET A 79 -8.809 -14.636 8.190 1.00 0.00 H new ATOM 0 HB2 MET A 79 -8.646 -13.986 5.794 1.00 0.00 H new ATOM 0 HB3 MET A 79 -10.257 -13.693 6.419 1.00 0.00 H new ATOM 0 HG2 MET A 79 -8.734 -11.310 6.920 1.00 0.00 H new ATOM 0 HG3 MET A 79 -8.390 -11.790 5.270 1.00 0.00 H new ATOM 0 HE1 MET A 79 -11.731 -11.724 3.469 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.971 -11.980 3.416 1.00 0.00 H new ATOM 0 HE3 MET A 79 -11.024 -13.192 4.183 1.00 0.00 H new ATOM 1182 N THR A 80 -6.386 -14.162 7.598 1.00 0.00 N ATOM 1183 CA THR A 80 -4.949 -13.946 7.614 1.00 0.00 C ATOM 1184 C THR A 80 -4.289 -14.662 6.434 1.00 0.00 C ATOM 1185 O THR A 80 -4.084 -15.874 6.474 1.00 0.00 O ATOM 1186 CB THR A 80 -4.417 -14.400 8.974 1.00 0.00 C ATOM 1187 OG1 THR A 80 -5.188 -13.656 9.914 1.00 0.00 O ATOM 1188 CG2 THR A 80 -2.980 -13.940 9.224 1.00 0.00 C ATOM 0 H THR A 80 -6.675 -15.084 7.271 1.00 0.00 H new ATOM 0 HA THR A 80 -4.707 -12.890 7.490 1.00 0.00 H new ATOM 0 HB THR A 80 -4.466 -15.487 9.038 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.909 -13.890 10.824 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.651 -14.289 10.203 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.327 -14.351 8.454 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.936 -12.851 9.193 1.00 0.00 H new ATOM 1196 N TYR A 81 -3.975 -13.881 5.410 1.00 0.00 N ATOM 1197 CA TYR A 81 -3.342 -14.425 4.221 1.00 0.00 C ATOM 1198 C TYR A 81 -1.871 -14.752 4.483 1.00 0.00 C ATOM 1199 O TYR A 81 -1.040 -13.850 4.587 1.00 0.00 O ATOM 1200 CB TYR A 81 -3.427 -13.328 3.158 1.00 0.00 C ATOM 1201 CG TYR A 81 -2.652 -13.641 1.877 1.00 0.00 C ATOM 1202 CD1 TYR A 81 -1.310 -13.329 1.789 1.00 0.00 C ATOM 1203 CD2 TYR A 81 -3.293 -14.234 0.809 1.00 0.00 C ATOM 1204 CE1 TYR A 81 -0.580 -13.623 0.584 1.00 0.00 C ATOM 1205 CE2 TYR A 81 -2.563 -14.529 -0.397 1.00 0.00 C ATOM 1206 CZ TYR A 81 -1.243 -14.209 -0.450 1.00 0.00 C ATOM 1207 OH TYR A 81 -0.553 -14.487 -1.589 1.00 0.00 O ATOM 0 H TYR A 81 -4.147 -12.876 5.380 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.836 -15.346 3.911 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -4.474 -13.162 2.905 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.049 -12.397 3.581 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.808 -12.864 2.625 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.343 -14.477 0.877 1.00 0.00 H new ATOM 0 HE1 TYR A 81 0.470 -13.384 0.502 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -3.053 -14.994 -1.240 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.153 -14.905 -2.241 1.00 0.00 H new ATOM 1217 N ARG A 82 -1.592 -16.043 4.582 1.00 0.00 N ATOM 1218 CA ARG A 82 -0.235 -16.500 4.830 1.00 0.00 C ATOM 1219 C ARG A 82 0.568 -16.508 3.528 1.00 0.00 C ATOM 1220 O ARG A 82 0.016 -16.746 2.455 1.00 0.00 O ATOM 1221 CB ARG A 82 -0.229 -17.905 5.435 1.00 0.00 C ATOM 1222 CG ARG A 82 1.092 -18.186 6.154 1.00 0.00 C ATOM 1223 CD ARG A 82 0.845 -18.804 7.532 1.00 0.00 C ATOM 1224 NE ARG A 82 0.441 -20.220 7.388 1.00 0.00 N ATOM 1225 CZ ARG A 82 0.583 -21.144 8.348 1.00 0.00 C ATOM 1226 NH1 ARG A 82 1.120 -20.806 9.528 1.00 0.00 N ATOM 1227 NH2 ARG A 82 0.189 -22.405 8.128 1.00 0.00 N ATOM 0 H ARG A 82 -2.283 -16.788 4.495 1.00 0.00 H new ATOM 0 HA ARG A 82 0.223 -15.810 5.539 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -1.058 -18.007 6.136 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.384 -18.644 4.649 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.701 -18.861 5.553 1.00 0.00 H new ATOM 0 HG3 ARG A 82 1.655 -17.259 6.263 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.749 -18.735 8.138 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.068 -18.247 8.055 1.00 0.00 H new ATOM 0 HE ARG A 82 0.028 -20.511 6.502 1.00 0.00 H new ATOM 0 HH11 ARG A 82 1.420 -19.846 9.695 1.00 0.00 H new ATOM 0 HH12 ARG A 82 1.228 -21.509 10.259 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -0.219 -22.662 7.229 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.297 -23.108 8.859 1.00 0.00 H new ATOM 1241 N PHE A 83 1.859 -16.245 3.666 1.00 0.00 N ATOM 1242 CA PHE A 83 2.745 -16.220 2.514 1.00 0.00 C ATOM 1243 C PHE A 83 3.573 -17.503 2.430 1.00 0.00 C ATOM 1244 O PHE A 83 3.578 -18.305 3.363 1.00 0.00 O ATOM 1245 CB PHE A 83 3.687 -15.029 2.700 1.00 0.00 C ATOM 1246 CG PHE A 83 3.160 -13.719 2.112 1.00 0.00 C ATOM 1247 CD1 PHE A 83 3.045 -13.577 0.764 1.00 0.00 C ATOM 1248 CD2 PHE A 83 2.806 -12.697 2.936 1.00 0.00 C ATOM 1249 CE1 PHE A 83 2.555 -12.361 0.217 1.00 0.00 C ATOM 1250 CE2 PHE A 83 2.317 -11.481 2.389 1.00 0.00 C ATOM 1251 CZ PHE A 83 2.201 -11.339 1.042 1.00 0.00 C ATOM 0 H PHE A 83 2.313 -16.047 4.558 1.00 0.00 H new ATOM 0 HA PHE A 83 2.161 -16.137 1.597 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.872 -14.888 3.765 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.646 -15.262 2.238 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.326 -14.389 0.110 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.897 -12.810 4.006 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.464 -12.248 -0.853 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.037 -10.669 3.043 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.828 -10.415 0.627 1.00 0.00 H new ATOM 1261 N PRO A 84 4.272 -17.662 1.274 1.00 0.00 N ATOM 1262 CA PRO A 84 5.102 -18.834 1.056 1.00 0.00 C ATOM 1263 C PRO A 84 6.397 -18.747 1.867 1.00 0.00 C ATOM 1264 O PRO A 84 6.866 -17.654 2.179 1.00 0.00 O ATOM 1265 CB PRO A 84 5.343 -18.873 -0.444 1.00 0.00 C ATOM 1266 CG PRO A 84 5.032 -17.475 -0.952 1.00 0.00 C ATOM 1267 CD PRO A 84 4.289 -16.733 0.148 1.00 0.00 C ATOM 0 HA PRO A 84 4.626 -19.755 1.393 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.374 -19.149 -0.667 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.703 -19.614 -0.923 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.951 -16.950 -1.213 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.426 -17.524 -1.856 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.794 -15.803 0.409 1.00 0.00 H new ATOM 0 HD3 PRO A 84 3.278 -16.470 -0.164 1.00 0.00 H new ATOM 1275 N PRO A 85 6.951 -19.945 2.194 1.00 0.00 N ATOM 1276 CA PRO A 85 8.183 -20.015 2.963 1.00 0.00 C ATOM 1277 C PRO A 85 9.391 -19.653 2.097 1.00 0.00 C ATOM 1278 O PRO A 85 10.533 -19.762 2.541 1.00 0.00 O ATOM 1279 CB PRO A 85 8.236 -21.439 3.492 1.00 0.00 C ATOM 1280 CG PRO A 85 7.281 -22.242 2.623 1.00 0.00 C ATOM 1281 CD PRO A 85 6.423 -21.260 1.843 1.00 0.00 C ATOM 0 HA PRO A 85 8.208 -19.298 3.784 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.248 -21.840 3.434 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.937 -21.478 4.540 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.836 -22.888 1.943 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.657 -22.889 3.239 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.491 -21.440 0.770 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.371 -21.350 2.115 1.00 0.00 H new ATOM 1289 N LYS A 86 9.098 -19.228 0.877 1.00 0.00 N ATOM 1290 CA LYS A 86 10.146 -18.849 -0.056 1.00 0.00 C ATOM 1291 C LYS A 86 9.707 -17.606 -0.832 1.00 0.00 C ATOM 1292 O LYS A 86 9.495 -17.668 -2.042 1.00 0.00 O ATOM 1293 CB LYS A 86 10.521 -20.032 -0.950 1.00 0.00 C ATOM 1294 CG LYS A 86 10.871 -21.264 -0.113 1.00 0.00 C ATOM 1295 CD LYS A 86 12.207 -21.075 0.609 1.00 0.00 C ATOM 1296 CE LYS A 86 13.270 -22.024 0.052 1.00 0.00 C ATOM 1297 NZ LYS A 86 14.215 -22.425 1.118 1.00 0.00 N ATOM 0 H LYS A 86 8.150 -19.138 0.513 1.00 0.00 H new ATOM 0 HA LYS A 86 11.057 -18.584 0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.691 -20.265 -1.617 1.00 0.00 H new ATOM 0 HB3 LYS A 86 11.370 -19.762 -1.579 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.082 -21.449 0.616 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.922 -22.142 -0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.541 -20.043 0.499 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.077 -21.255 1.676 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.792 -22.908 -0.370 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.812 -21.537 -0.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 14.930 -23.069 0.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.684 -21.580 1.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.696 -22.908 1.879 1.00 0.00 H new ATOM 1311 N PHE A 87 9.584 -16.506 -0.104 1.00 0.00 N ATOM 1312 CA PHE A 87 9.174 -15.250 -0.709 1.00 0.00 C ATOM 1313 C PHE A 87 10.119 -14.115 -0.310 1.00 0.00 C ATOM 1314 O PHE A 87 10.301 -13.842 0.875 1.00 0.00 O ATOM 1315 CB PHE A 87 7.771 -14.938 -0.185 1.00 0.00 C ATOM 1316 CG PHE A 87 7.004 -13.917 -1.029 1.00 0.00 C ATOM 1317 CD1 PHE A 87 6.274 -14.331 -2.099 1.00 0.00 C ATOM 1318 CD2 PHE A 87 7.052 -12.596 -0.709 1.00 0.00 C ATOM 1319 CE1 PHE A 87 5.562 -13.384 -2.882 1.00 0.00 C ATOM 1320 CE2 PHE A 87 6.341 -11.650 -1.492 1.00 0.00 C ATOM 1321 CZ PHE A 87 5.611 -12.063 -2.562 1.00 0.00 C ATOM 0 H PHE A 87 9.761 -16.458 0.899 1.00 0.00 H new ATOM 0 HA PHE A 87 9.192 -15.337 -1.795 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.196 -15.863 -0.142 1.00 0.00 H new ATOM 0 HB3 PHE A 87 7.850 -14.564 0.836 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.236 -15.380 -2.353 1.00 0.00 H new ATOM 0 HD2 PHE A 87 7.631 -12.267 0.141 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.982 -13.713 -3.731 1.00 0.00 H new ATOM 0 HE2 PHE A 87 6.380 -10.601 -1.238 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.070 -11.342 -3.158 1.00 0.00 H new ATOM 1331 N THR A 88 10.695 -13.484 -1.323 1.00 0.00 N ATOM 1332 CA THR A 88 11.617 -12.385 -1.093 1.00 0.00 C ATOM 1333 C THR A 88 11.085 -11.100 -1.731 1.00 0.00 C ATOM 1334 O THR A 88 10.873 -11.045 -2.941 1.00 0.00 O ATOM 1335 CB THR A 88 12.991 -12.801 -1.621 1.00 0.00 C ATOM 1336 OG1 THR A 88 13.636 -13.382 -0.491 1.00 0.00 O ATOM 1337 CG2 THR A 88 13.871 -11.601 -1.975 1.00 0.00 C ATOM 0 H THR A 88 10.541 -13.713 -2.305 1.00 0.00 H new ATOM 0 HA THR A 88 11.714 -12.167 -0.029 1.00 0.00 H new ATOM 0 HB THR A 88 12.865 -13.431 -2.502 1.00 0.00 H new ATOM 0 HG1 THR A 88 14.534 -13.681 -0.745 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.834 -11.953 -2.344 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.382 -11.006 -2.746 1.00 0.00 H new ATOM 0 HG23 THR A 88 14.025 -10.988 -1.087 1.00 0.00 H new ATOM 1345 N LEU A 89 10.883 -10.098 -0.888 1.00 0.00 N ATOM 1346 CA LEU A 89 10.380 -8.817 -1.354 1.00 0.00 C ATOM 1347 C LEU A 89 11.546 -7.838 -1.499 1.00 0.00 C ATOM 1348 O LEU A 89 11.892 -7.134 -0.552 1.00 0.00 O ATOM 1349 CB LEU A 89 9.265 -8.313 -0.436 1.00 0.00 C ATOM 1350 CG LEU A 89 8.660 -6.955 -0.798 1.00 0.00 C ATOM 1351 CD1 LEU A 89 7.924 -7.022 -2.138 1.00 0.00 C ATOM 1352 CD2 LEU A 89 7.759 -6.439 0.326 1.00 0.00 C ATOM 0 H LEU A 89 11.059 -10.147 0.116 1.00 0.00 H new ATOM 0 HA LEU A 89 9.927 -8.922 -2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.466 -9.054 -0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.656 -8.255 0.580 1.00 0.00 H new ATOM 0 HG LEU A 89 9.473 -6.239 -0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.504 -6.044 -2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.622 -7.313 -2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.121 -7.757 -2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.342 -5.473 0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.949 -7.148 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.344 -6.329 1.239 1.00 0.00 H new ATOM 1364 N LYS A 90 12.121 -7.824 -2.693 1.00 0.00 N ATOM 1365 CA LYS A 90 13.241 -6.942 -2.975 1.00 0.00 C ATOM 1366 C LYS A 90 12.988 -5.580 -2.326 1.00 0.00 C ATOM 1367 O LYS A 90 11.847 -5.235 -2.022 1.00 0.00 O ATOM 1368 CB LYS A 90 13.498 -6.867 -4.481 1.00 0.00 C ATOM 1369 CG LYS A 90 13.963 -8.219 -5.026 1.00 0.00 C ATOM 1370 CD LYS A 90 15.210 -8.059 -5.899 1.00 0.00 C ATOM 1371 CE LYS A 90 16.430 -7.694 -5.050 1.00 0.00 C ATOM 1372 NZ LYS A 90 17.312 -6.760 -5.785 1.00 0.00 N ATOM 0 H LYS A 90 11.832 -8.410 -3.476 1.00 0.00 H new ATOM 0 HA LYS A 90 14.157 -7.339 -2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.587 -6.558 -4.994 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.253 -6.109 -4.687 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.179 -8.894 -4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.163 -8.675 -5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 90 15.402 -8.986 -6.439 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.038 -7.285 -6.647 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.106 -7.238 -4.115 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.983 -8.597 -4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 18.135 -6.523 -5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.635 -7.209 -6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.786 -5.892 -6.011 1.00 0.00 H new ATOM 1386 N ALA A 91 14.072 -4.843 -2.131 1.00 0.00 N ATOM 1387 CA ALA A 91 13.982 -3.526 -1.524 1.00 0.00 C ATOM 1388 C ALA A 91 13.442 -2.530 -2.552 1.00 0.00 C ATOM 1389 O ALA A 91 13.898 -2.503 -3.694 1.00 0.00 O ATOM 1390 CB ALA A 91 15.353 -3.119 -0.982 1.00 0.00 C ATOM 0 H ALA A 91 15.017 -5.133 -2.383 1.00 0.00 H new ATOM 0 HA ALA A 91 13.289 -3.538 -0.683 1.00 0.00 H new ATOM 0 HB1 ALA A 91 15.286 -2.131 -0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.678 -3.842 -0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.074 -3.094 -1.799 1.00 0.00 H new ATOM 1396 N GLY A 92 12.477 -1.736 -2.110 1.00 0.00 N ATOM 1397 CA GLY A 92 11.870 -0.742 -2.978 1.00 0.00 C ATOM 1398 C GLY A 92 10.888 -1.392 -3.954 1.00 0.00 C ATOM 1399 O GLY A 92 10.326 -0.718 -4.816 1.00 0.00 O ATOM 0 H GLY A 92 12.101 -1.761 -1.162 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.350 0.003 -2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.647 -0.217 -3.534 1.00 0.00 H new ATOM 1403 N GLN A 93 10.710 -2.694 -3.785 1.00 0.00 N ATOM 1404 CA GLN A 93 9.805 -3.442 -4.641 1.00 0.00 C ATOM 1405 C GLN A 93 8.374 -3.352 -4.107 1.00 0.00 C ATOM 1406 O GLN A 93 8.124 -2.697 -3.097 1.00 0.00 O ATOM 1407 CB GLN A 93 10.252 -4.900 -4.769 1.00 0.00 C ATOM 1408 CG GLN A 93 10.629 -5.233 -6.214 1.00 0.00 C ATOM 1409 CD GLN A 93 11.592 -4.189 -6.783 1.00 0.00 C ATOM 1410 OE1 GLN A 93 11.318 -3.528 -7.771 1.00 0.00 O ATOM 1411 NE2 GLN A 93 12.731 -4.078 -6.107 1.00 0.00 N ATOM 0 H GLN A 93 11.177 -3.250 -3.068 1.00 0.00 H new ATOM 0 HA GLN A 93 9.829 -3.000 -5.637 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.106 -5.081 -4.116 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.451 -5.560 -4.437 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.091 -6.220 -6.255 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.729 -5.276 -6.828 1.00 0.00 H new ATOM 0 HE21 GLN A 93 12.897 -4.662 -5.288 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.439 -3.408 -6.408 1.00 0.00 H new ATOM 1420 N VAL A 94 7.471 -4.021 -4.810 1.00 0.00 N ATOM 1421 CA VAL A 94 6.072 -4.024 -4.419 1.00 0.00 C ATOM 1422 C VAL A 94 5.419 -5.326 -4.888 1.00 0.00 C ATOM 1423 O VAL A 94 5.755 -5.846 -5.951 1.00 0.00 O ATOM 1424 CB VAL A 94 5.373 -2.776 -4.963 1.00 0.00 C ATOM 1425 CG1 VAL A 94 3.970 -2.632 -4.371 1.00 0.00 C ATOM 1426 CG2 VAL A 94 6.210 -1.522 -4.703 1.00 0.00 C ATOM 0 H VAL A 94 7.681 -4.564 -5.647 1.00 0.00 H new ATOM 0 HA VAL A 94 5.979 -3.985 -3.334 1.00 0.00 H new ATOM 0 HB VAL A 94 5.271 -2.892 -6.042 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.495 -1.737 -4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.374 -3.507 -4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.040 -2.549 -3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.691 -0.649 -5.099 1.00 0.00 H new ATOM 0 HG22 VAL A 94 6.358 -1.400 -3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.178 -1.622 -5.194 1.00 0.00 H new ATOM 1436 N VAL A 95 4.498 -5.817 -4.072 1.00 0.00 N ATOM 1437 CA VAL A 95 3.796 -7.048 -4.389 1.00 0.00 C ATOM 1438 C VAL A 95 2.290 -6.826 -4.236 1.00 0.00 C ATOM 1439 O VAL A 95 1.850 -6.148 -3.308 1.00 0.00 O ATOM 1440 CB VAL A 95 4.322 -8.191 -3.519 1.00 0.00 C ATOM 1441 CG1 VAL A 95 4.462 -7.749 -2.060 1.00 0.00 C ATOM 1442 CG2 VAL A 95 3.427 -9.426 -3.634 1.00 0.00 C ATOM 0 H VAL A 95 4.222 -5.384 -3.191 1.00 0.00 H new ATOM 0 HA VAL A 95 3.979 -7.335 -5.425 1.00 0.00 H new ATOM 0 HB VAL A 95 5.313 -8.461 -3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.838 -8.580 -1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.159 -6.913 -1.998 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.489 -7.439 -1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.824 -10.223 -3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.418 -9.175 -3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.400 -9.761 -4.671 1.00 0.00 H new ATOM 1452 N THR A 96 1.540 -7.408 -5.160 1.00 0.00 N ATOM 1453 CA THR A 96 0.093 -7.282 -5.140 1.00 0.00 C ATOM 1454 C THR A 96 -0.555 -8.630 -4.818 1.00 0.00 C ATOM 1455 O THR A 96 -0.192 -9.652 -5.398 1.00 0.00 O ATOM 1456 CB THR A 96 -0.350 -6.700 -6.483 1.00 0.00 C ATOM 1457 OG1 THR A 96 0.709 -5.817 -6.845 1.00 0.00 O ATOM 1458 CG2 THR A 96 -1.569 -5.785 -6.352 1.00 0.00 C ATOM 0 H THR A 96 1.908 -7.969 -5.928 1.00 0.00 H new ATOM 0 HA THR A 96 -0.234 -6.603 -4.352 1.00 0.00 H new ATOM 0 HB THR A 96 -0.579 -7.513 -7.172 1.00 0.00 H new ATOM 0 HG1 THR A 96 0.505 -5.397 -7.706 1.00 0.00 H new ATOM 0 HG21 THR A 96 -1.841 -5.399 -7.334 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.405 -6.350 -5.939 1.00 0.00 H new ATOM 0 HG23 THR A 96 -1.330 -4.954 -5.689 1.00 0.00 H new ATOM 1466 N ILE A 97 -1.505 -8.588 -3.895 1.00 0.00 N ATOM 1467 CA ILE A 97 -2.207 -9.794 -3.489 1.00 0.00 C ATOM 1468 C ILE A 97 -3.691 -9.655 -3.835 1.00 0.00 C ATOM 1469 O ILE A 97 -4.504 -9.317 -2.976 1.00 0.00 O ATOM 1470 CB ILE A 97 -1.946 -10.094 -2.012 1.00 0.00 C ATOM 1471 CG1 ILE A 97 -0.445 -10.150 -1.720 1.00 0.00 C ATOM 1472 CG2 ILE A 97 -2.662 -11.375 -1.578 1.00 0.00 C ATOM 1473 CD1 ILE A 97 0.114 -8.751 -1.454 1.00 0.00 C ATOM 0 H ILE A 97 -1.805 -7.738 -3.417 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.830 -10.657 -4.037 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.359 -9.277 -1.420 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.263 -10.789 -0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.077 -10.600 -2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.460 -11.565 -0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.736 -11.260 -1.727 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.301 -12.213 -2.174 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.182 -8.819 -1.249 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.048 -8.122 -2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.393 -8.314 -0.594 1.00 0.00 H new ATOM 1485 N TRP A 98 -3.999 -9.923 -5.095 1.00 0.00 N ATOM 1486 CA TRP A 98 -5.371 -9.832 -5.566 1.00 0.00 C ATOM 1487 C TRP A 98 -6.155 -11.000 -4.964 1.00 0.00 C ATOM 1488 O TRP A 98 -5.565 -11.968 -4.486 1.00 0.00 O ATOM 1489 CB TRP A 98 -5.426 -9.800 -7.094 1.00 0.00 C ATOM 1490 CG TRP A 98 -4.491 -8.768 -7.729 1.00 0.00 C ATOM 1491 CD1 TRP A 98 -3.172 -8.870 -7.942 1.00 0.00 C ATOM 1492 CD2 TRP A 98 -4.861 -7.464 -8.226 1.00 0.00 C ATOM 1493 NE1 TRP A 98 -2.667 -7.732 -8.539 1.00 0.00 N ATOM 1494 CE2 TRP A 98 -3.727 -6.851 -8.717 1.00 0.00 C ATOM 1495 CE3 TRP A 98 -6.113 -6.825 -8.260 1.00 0.00 C ATOM 1496 CZ2 TRP A 98 -3.731 -5.568 -9.277 1.00 0.00 C ATOM 1497 CZ3 TRP A 98 -6.100 -5.543 -8.823 1.00 0.00 C ATOM 1498 CH2 TRP A 98 -4.966 -4.912 -9.322 1.00 0.00 C ATOM 0 H TRP A 98 -3.322 -10.203 -5.805 1.00 0.00 H new ATOM 0 HA TRP A 98 -5.830 -8.899 -5.239 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -5.173 -10.789 -7.477 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -6.449 -9.589 -7.406 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -2.579 -9.733 -7.680 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -1.695 -7.568 -8.801 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -7.013 -7.286 -7.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -2.829 -5.109 -9.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -7.036 -5.007 -8.873 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -5.038 -3.920 -9.743 1.00 0.00 H new ATOM 1509 N ALA A 99 -7.473 -10.871 -5.007 1.00 0.00 N ATOM 1510 CA ALA A 99 -8.344 -11.904 -4.473 1.00 0.00 C ATOM 1511 C ALA A 99 -8.955 -12.699 -5.628 1.00 0.00 C ATOM 1512 O ALA A 99 -9.224 -12.145 -6.693 1.00 0.00 O ATOM 1513 CB ALA A 99 -9.409 -11.262 -3.580 1.00 0.00 C ATOM 0 H ALA A 99 -7.959 -10.067 -5.404 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.777 -12.602 -3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.063 -12.037 -3.179 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.925 -10.735 -2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -9.999 -10.557 -4.166 1.00 0.00 H new ATOM 1519 N SER A 100 -9.155 -13.985 -5.379 1.00 0.00 N ATOM 1520 CA SER A 100 -9.729 -14.862 -6.386 1.00 0.00 C ATOM 1521 C SER A 100 -10.816 -14.121 -7.167 1.00 0.00 C ATOM 1522 O SER A 100 -10.959 -14.313 -8.374 1.00 0.00 O ATOM 1523 CB SER A 100 -10.303 -16.129 -5.750 1.00 0.00 C ATOM 1524 OG SER A 100 -11.314 -16.722 -6.560 1.00 0.00 O ATOM 0 H SER A 100 -8.930 -14.441 -4.495 1.00 0.00 H new ATOM 0 HA SER A 100 -8.936 -15.160 -7.072 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.501 -16.848 -5.587 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.718 -15.887 -4.771 1.00 0.00 H new ATOM 0 HG SER A 100 -11.654 -17.529 -6.120 1.00 0.00 H new ATOM 1530 N GLY A 101 -11.555 -13.290 -6.447 1.00 0.00 N ATOM 1531 CA GLY A 101 -12.625 -12.519 -7.058 1.00 0.00 C ATOM 1532 C GLY A 101 -12.271 -11.031 -7.106 1.00 0.00 C ATOM 1533 O GLY A 101 -12.841 -10.230 -6.368 1.00 0.00 O ATOM 0 H GLY A 101 -11.434 -13.134 -5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.811 -12.885 -8.068 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.547 -12.659 -6.494 1.00 0.00 H new ATOM 1537 N ALA A 102 -11.331 -10.708 -7.982 1.00 0.00 N ATOM 1538 CA ALA A 102 -10.894 -9.331 -8.136 1.00 0.00 C ATOM 1539 C ALA A 102 -10.400 -9.114 -9.568 1.00 0.00 C ATOM 1540 O ALA A 102 -9.613 -8.204 -9.826 1.00 0.00 O ATOM 1541 CB ALA A 102 -9.819 -9.016 -7.094 1.00 0.00 C ATOM 0 H ALA A 102 -10.860 -11.376 -8.592 1.00 0.00 H new ATOM 0 HA ALA A 102 -11.723 -8.644 -7.966 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.491 -7.983 -7.210 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.229 -9.157 -6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -8.969 -9.684 -7.235 1.00 0.00 H new ATOM 1547 N GLY A 103 -10.881 -9.966 -10.461 1.00 0.00 N ATOM 1548 CA GLY A 103 -10.497 -9.880 -11.860 1.00 0.00 C ATOM 1549 C GLY A 103 -8.997 -9.615 -12.002 1.00 0.00 C ATOM 1550 O GLY A 103 -8.579 -8.824 -12.846 1.00 0.00 O ATOM 0 H GLY A 103 -11.533 -10.719 -10.243 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.756 -10.808 -12.369 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.058 -9.082 -12.346 1.00 0.00 H new ATOM 1554 N ALA A 104 -8.227 -10.293 -11.163 1.00 0.00 N ATOM 1555 CA ALA A 104 -6.782 -10.142 -11.184 1.00 0.00 C ATOM 1556 C ALA A 104 -6.163 -11.305 -11.963 1.00 0.00 C ATOM 1557 O ALA A 104 -6.877 -12.088 -12.587 1.00 0.00 O ATOM 1558 CB ALA A 104 -6.257 -10.055 -9.750 1.00 0.00 C ATOM 0 H ALA A 104 -8.577 -10.948 -10.464 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.500 -9.219 -11.691 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.173 -9.942 -9.766 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.704 -9.196 -9.250 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.519 -10.965 -9.211 1.00 0.00 H new ATOM 1564 N THR A 105 -4.842 -11.381 -11.900 1.00 0.00 N ATOM 1565 CA THR A 105 -4.119 -12.435 -12.591 1.00 0.00 C ATOM 1566 C THR A 105 -2.875 -12.837 -11.796 1.00 0.00 C ATOM 1567 O THR A 105 -2.002 -12.009 -11.542 1.00 0.00 O ATOM 1568 CB THR A 105 -3.804 -11.943 -14.005 1.00 0.00 C ATOM 1569 OG1 THR A 105 -4.925 -12.365 -14.777 1.00 0.00 O ATOM 1570 CG2 THR A 105 -2.621 -12.683 -14.632 1.00 0.00 C ATOM 0 H THR A 105 -4.253 -10.730 -11.381 1.00 0.00 H new ATOM 0 HA THR A 105 -4.721 -13.340 -12.673 1.00 0.00 H new ATOM 0 HB THR A 105 -3.591 -10.874 -13.978 1.00 0.00 H new ATOM 0 HG1 THR A 105 -5.736 -12.321 -14.228 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.440 -12.296 -15.635 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.732 -12.534 -14.019 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.847 -13.748 -14.690 1.00 0.00 H new ATOM 1578 N HIS A 106 -2.834 -14.109 -11.427 1.00 0.00 N ATOM 1579 CA HIS A 106 -1.712 -14.632 -10.667 1.00 0.00 C ATOM 1580 C HIS A 106 -0.412 -14.384 -11.434 1.00 0.00 C ATOM 1581 O HIS A 106 -0.028 -15.183 -12.287 1.00 0.00 O ATOM 1582 CB HIS A 106 -1.927 -16.108 -10.326 1.00 0.00 C ATOM 1583 CG HIS A 106 -1.053 -16.612 -9.202 1.00 0.00 C ATOM 1584 ND1 HIS A 106 -1.394 -16.474 -7.868 1.00 0.00 N ATOM 1585 CD2 HIS A 106 0.149 -17.255 -9.228 1.00 0.00 C ATOM 1586 CE1 HIS A 106 -0.432 -17.013 -7.133 1.00 0.00 C ATOM 1587 NE2 HIS A 106 0.524 -17.496 -7.978 1.00 0.00 N ATOM 0 H HIS A 106 -3.560 -14.793 -11.640 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.637 -14.107 -9.715 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -2.972 -16.259 -10.056 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -1.738 -16.707 -11.217 1.00 0.00 H new ATOM 0 HD2 HIS A 106 0.702 -17.523 -10.116 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -0.409 -17.061 -6.054 1.00 0.00 H new ATOM 0 HE2 HIS A 106 1.385 -17.965 -7.696 1.00 0.00 H new ATOM 1595 N SER A 107 0.230 -13.273 -11.104 1.00 0.00 N ATOM 1596 CA SER A 107 1.479 -12.910 -11.752 1.00 0.00 C ATOM 1597 C SER A 107 2.544 -12.600 -10.698 1.00 0.00 C ATOM 1598 O SER A 107 2.955 -11.451 -10.544 1.00 0.00 O ATOM 1599 CB SER A 107 1.288 -11.710 -12.682 1.00 0.00 C ATOM 1600 OG SER A 107 1.278 -12.094 -14.054 1.00 0.00 O ATOM 0 H SER A 107 -0.091 -12.612 -10.396 1.00 0.00 H new ATOM 0 HA SER A 107 1.810 -13.755 -12.356 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.351 -11.209 -12.439 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.088 -10.989 -12.513 1.00 0.00 H new ATOM 0 HG SER A 107 1.152 -11.300 -14.615 1.00 0.00 H new ATOM 1606 N PRO A 108 2.973 -13.674 -9.981 1.00 0.00 N ATOM 1607 CA PRO A 108 3.982 -13.528 -8.947 1.00 0.00 C ATOM 1608 C PRO A 108 5.372 -13.339 -9.559 1.00 0.00 C ATOM 1609 O PRO A 108 5.552 -13.513 -10.763 1.00 0.00 O ATOM 1610 CB PRO A 108 3.870 -14.790 -8.107 1.00 0.00 C ATOM 1611 CG PRO A 108 3.129 -15.799 -8.969 1.00 0.00 C ATOM 1612 CD PRO A 108 2.509 -15.049 -10.136 1.00 0.00 C ATOM 0 HA PRO A 108 3.829 -12.641 -8.332 1.00 0.00 H new ATOM 0 HB2 PRO A 108 4.856 -15.163 -7.829 1.00 0.00 H new ATOM 0 HB3 PRO A 108 3.330 -14.596 -7.181 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.812 -16.568 -9.329 1.00 0.00 H new ATOM 0 HG3 PRO A 108 2.358 -16.305 -8.387 1.00 0.00 H new ATOM 0 HD2 PRO A 108 2.827 -15.469 -11.090 1.00 0.00 H new ATOM 0 HD3 PRO A 108 1.421 -15.105 -10.110 1.00 0.00 H new ATOM 1620 N PRO A 109 6.343 -12.975 -8.679 1.00 0.00 N ATOM 1621 CA PRO A 109 6.044 -12.789 -7.270 1.00 0.00 C ATOM 1622 C PRO A 109 5.293 -11.477 -7.036 1.00 0.00 C ATOM 1623 O PRO A 109 4.742 -11.256 -5.959 1.00 0.00 O ATOM 1624 CB PRO A 109 7.394 -12.833 -6.572 1.00 0.00 C ATOM 1625 CG PRO A 109 8.430 -12.576 -7.654 1.00 0.00 C ATOM 1626 CD PRO A 109 7.746 -12.732 -9.002 1.00 0.00 C ATOM 0 HA PRO A 109 5.381 -13.559 -6.876 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.453 -12.079 -5.787 1.00 0.00 H new ATOM 0 HB3 PRO A 109 7.557 -13.800 -6.097 1.00 0.00 H new ATOM 0 HG2 PRO A 109 8.848 -11.575 -7.552 1.00 0.00 H new ATOM 0 HG3 PRO A 109 9.259 -13.278 -7.563 1.00 0.00 H new ATOM 0 HD2 PRO A 109 7.863 -11.836 -9.611 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.171 -13.560 -9.569 1.00 0.00 H new ATOM 1634 N THR A 110 5.296 -10.640 -8.064 1.00 0.00 N ATOM 1635 CA THR A 110 4.621 -9.356 -7.984 1.00 0.00 C ATOM 1636 C THR A 110 3.137 -9.551 -7.668 1.00 0.00 C ATOM 1637 O THR A 110 2.752 -9.625 -6.503 1.00 0.00 O ATOM 1638 CB THR A 110 4.870 -8.609 -9.296 1.00 0.00 C ATOM 1639 OG1 THR A 110 4.466 -9.533 -10.303 1.00 0.00 O ATOM 1640 CG2 THR A 110 6.359 -8.387 -9.570 1.00 0.00 C ATOM 0 H THR A 110 5.755 -10.826 -8.956 1.00 0.00 H new ATOM 0 HA THR A 110 5.017 -8.751 -7.168 1.00 0.00 H new ATOM 0 HB THR A 110 4.359 -7.647 -9.269 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.198 -10.377 -9.884 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.480 -7.853 -10.513 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.794 -7.799 -8.762 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.865 -9.350 -9.631 1.00 0.00 H new ATOM 1648 N ASP A 111 2.345 -9.628 -8.727 1.00 0.00 N ATOM 1649 CA ASP A 111 0.912 -9.814 -8.578 1.00 0.00 C ATOM 1650 C ASP A 111 0.635 -11.229 -8.065 1.00 0.00 C ATOM 1651 O ASP A 111 1.326 -12.175 -8.441 1.00 0.00 O ATOM 1652 CB ASP A 111 0.192 -9.647 -9.917 1.00 0.00 C ATOM 1653 CG ASP A 111 -1.289 -10.032 -9.908 1.00 0.00 C ATOM 1654 OD1 ASP A 111 -1.591 -11.117 -9.365 1.00 0.00 O ATOM 1655 OD2 ASP A 111 -2.087 -9.232 -10.443 1.00 0.00 O ATOM 0 H ASP A 111 2.669 -9.565 -9.692 1.00 0.00 H new ATOM 0 HA ASP A 111 0.547 -9.064 -7.877 1.00 0.00 H new ATOM 0 HB2 ASP A 111 0.280 -8.607 -10.232 1.00 0.00 H new ATOM 0 HB3 ASP A 111 0.704 -10.251 -10.666 1.00 0.00 H new ATOM 1660 N LEU A 112 -0.376 -11.329 -7.215 1.00 0.00 N ATOM 1661 CA LEU A 112 -0.752 -12.612 -6.647 1.00 0.00 C ATOM 1662 C LEU A 112 -2.278 -12.722 -6.612 1.00 0.00 C ATOM 1663 O LEU A 112 -2.979 -11.723 -6.760 1.00 0.00 O ATOM 1664 CB LEU A 112 -0.090 -12.809 -5.282 1.00 0.00 C ATOM 1665 CG LEU A 112 1.350 -13.325 -5.303 1.00 0.00 C ATOM 1666 CD1 LEU A 112 2.022 -13.132 -3.942 1.00 0.00 C ATOM 1667 CD2 LEU A 112 1.403 -14.782 -5.767 1.00 0.00 C ATOM 0 H LEU A 112 -0.947 -10.542 -6.906 1.00 0.00 H new ATOM 0 HA LEU A 112 -0.387 -13.427 -7.273 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.106 -11.857 -4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.696 -13.506 -4.704 1.00 0.00 H new ATOM 0 HG LEU A 112 1.914 -12.736 -6.026 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.045 -13.507 -3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.035 -12.072 -3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.466 -13.679 -3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.438 -15.125 -5.773 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.819 -15.402 -5.086 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.990 -14.859 -6.773 1.00 0.00 H new ATOM 1679 N VAL A 113 -2.747 -13.946 -6.415 1.00 0.00 N ATOM 1680 CA VAL A 113 -4.176 -14.199 -6.359 1.00 0.00 C ATOM 1681 C VAL A 113 -4.489 -15.063 -5.135 1.00 0.00 C ATOM 1682 O VAL A 113 -3.897 -16.126 -4.954 1.00 0.00 O ATOM 1683 CB VAL A 113 -4.648 -14.829 -7.671 1.00 0.00 C ATOM 1684 CG1 VAL A 113 -6.118 -15.246 -7.582 1.00 0.00 C ATOM 1685 CG2 VAL A 113 -4.417 -13.880 -8.849 1.00 0.00 C ATOM 0 H VAL A 113 -2.162 -14.773 -6.292 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.725 -13.264 -6.247 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.055 -15.727 -7.844 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.428 -15.691 -8.528 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -6.242 -15.974 -6.781 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.733 -14.370 -7.374 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.761 -14.352 -9.769 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.971 -12.956 -8.686 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -3.354 -13.655 -8.932 1.00 0.00 H new ATOM 1695 N TRP A 114 -5.418 -14.573 -4.327 1.00 0.00 N ATOM 1696 CA TRP A 114 -5.816 -15.287 -3.126 1.00 0.00 C ATOM 1697 C TRP A 114 -6.935 -16.260 -3.503 1.00 0.00 C ATOM 1698 O TRP A 114 -8.092 -15.861 -3.630 1.00 0.00 O ATOM 1699 CB TRP A 114 -6.219 -14.312 -2.018 1.00 0.00 C ATOM 1700 CG TRP A 114 -6.302 -14.949 -0.629 1.00 0.00 C ATOM 1701 CD1 TRP A 114 -6.020 -16.212 -0.282 1.00 0.00 C ATOM 1702 CD2 TRP A 114 -6.706 -14.296 0.594 1.00 0.00 C ATOM 1703 NE1 TRP A 114 -6.212 -16.421 1.069 1.00 0.00 N ATOM 1704 CE2 TRP A 114 -6.642 -15.219 1.618 1.00 0.00 C ATOM 1705 CE3 TRP A 114 -7.112 -12.970 0.826 1.00 0.00 C ATOM 1706 CZ2 TRP A 114 -6.971 -14.915 2.945 1.00 0.00 C ATOM 1707 CZ3 TRP A 114 -7.436 -12.682 2.157 1.00 0.00 C ATOM 1708 CH2 TRP A 114 -7.378 -13.600 3.200 1.00 0.00 C ATOM 0 H TRP A 114 -5.906 -13.691 -4.481 1.00 0.00 H new ATOM 0 HA TRP A 114 -4.980 -15.858 -2.722 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.500 -13.494 -1.989 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -7.187 -13.877 -2.265 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -5.684 -16.971 -0.973 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -6.065 -17.296 1.572 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -7.169 -12.232 0.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -6.914 -15.655 3.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -7.753 -11.676 2.390 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -7.646 -13.300 4.202 1.00 0.00 H new ATOM 1719 N LYS A 115 -6.551 -17.517 -3.671 1.00 0.00 N ATOM 1720 CA LYS A 115 -7.508 -18.549 -4.030 1.00 0.00 C ATOM 1721 C LYS A 115 -8.276 -18.985 -2.781 1.00 0.00 C ATOM 1722 O LYS A 115 -9.473 -19.258 -2.847 1.00 0.00 O ATOM 1723 CB LYS A 115 -6.807 -19.700 -4.754 1.00 0.00 C ATOM 1724 CG LYS A 115 -6.460 -19.313 -6.193 1.00 0.00 C ATOM 1725 CD LYS A 115 -7.509 -19.845 -7.172 1.00 0.00 C ATOM 1726 CE LYS A 115 -6.939 -20.985 -8.020 1.00 0.00 C ATOM 1727 NZ LYS A 115 -7.964 -22.029 -8.241 1.00 0.00 N ATOM 0 H LYS A 115 -5.591 -17.844 -3.565 1.00 0.00 H new ATOM 0 HA LYS A 115 -8.242 -18.159 -4.735 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -5.898 -19.972 -4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.451 -20.579 -4.755 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.397 -18.228 -6.276 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.479 -19.711 -6.454 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -8.381 -20.198 -6.621 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -7.848 -19.038 -7.822 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -6.595 -20.596 -8.978 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -6.072 -21.418 -7.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -7.561 -22.795 -8.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -8.273 -22.412 -7.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -8.780 -21.615 -8.736 1.00 0.00 H new ATOM 1741 N ALA A 116 -7.554 -19.038 -1.671 1.00 0.00 N ATOM 1742 CA ALA A 116 -8.152 -19.436 -0.408 1.00 0.00 C ATOM 1743 C ALA A 116 -9.403 -18.592 -0.152 1.00 0.00 C ATOM 1744 O ALA A 116 -10.425 -19.111 0.295 1.00 0.00 O ATOM 1745 CB ALA A 116 -7.118 -19.300 0.712 1.00 0.00 C ATOM 0 H ALA A 116 -6.561 -18.812 -1.620 1.00 0.00 H new ATOM 0 HA ALA A 116 -8.460 -20.481 -0.442 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -7.567 -19.599 1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -6.263 -19.941 0.497 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -6.787 -18.264 0.778 1.00 0.00 H new ATOM 1751 N GLN A 117 -9.281 -17.306 -0.446 1.00 0.00 N ATOM 1752 CA GLN A 117 -10.388 -16.386 -0.254 1.00 0.00 C ATOM 1753 C GLN A 117 -10.892 -15.872 -1.604 1.00 0.00 C ATOM 1754 O GLN A 117 -10.267 -16.111 -2.636 1.00 0.00 O ATOM 1755 CB GLN A 117 -9.985 -15.226 0.658 1.00 0.00 C ATOM 1756 CG GLN A 117 -10.691 -15.321 2.012 1.00 0.00 C ATOM 1757 CD GLN A 117 -12.209 -15.208 1.848 1.00 0.00 C ATOM 1758 OE1 GLN A 117 -12.911 -16.185 1.645 1.00 0.00 O ATOM 1759 NE2 GLN A 117 -12.672 -13.965 1.945 1.00 0.00 N ATOM 0 H GLN A 117 -8.432 -16.880 -0.816 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.201 -16.924 0.234 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -8.905 -15.233 0.806 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -10.235 -14.279 0.179 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.443 -16.269 2.490 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.333 -14.529 2.669 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -12.028 -13.193 2.116 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -13.671 -13.784 1.848 1.00 0.00 H new ATOM 1768 N ASN A 118 -12.019 -15.177 -1.553 1.00 0.00 N ATOM 1769 CA ASN A 118 -12.614 -14.628 -2.760 1.00 0.00 C ATOM 1770 C ASN A 118 -12.553 -13.100 -2.703 1.00 0.00 C ATOM 1771 O ASN A 118 -12.624 -12.434 -3.735 1.00 0.00 O ATOM 1772 CB ASN A 118 -14.083 -15.038 -2.885 1.00 0.00 C ATOM 1773 CG ASN A 118 -14.930 -14.384 -1.791 1.00 0.00 C ATOM 1774 OD1 ASN A 118 -15.626 -13.407 -2.010 1.00 0.00 O ATOM 1775 ND2 ASN A 118 -14.832 -14.977 -0.605 1.00 0.00 N ATOM 0 H ASN A 118 -12.536 -14.982 -0.695 1.00 0.00 H new ATOM 0 HA ASN A 118 -12.058 -15.012 -3.615 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -14.463 -14.749 -3.865 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -14.169 -16.122 -2.817 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -15.359 -14.616 0.191 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -14.230 -15.792 -0.491 1.00 0.00 H new ATOM 1782 N THR A 119 -12.422 -12.589 -1.488 1.00 0.00 N ATOM 1783 CA THR A 119 -12.351 -11.152 -1.284 1.00 0.00 C ATOM 1784 C THR A 119 -11.658 -10.836 0.043 1.00 0.00 C ATOM 1785 O THR A 119 -11.816 -11.568 1.020 1.00 0.00 O ATOM 1786 CB THR A 119 -13.771 -10.590 -1.377 1.00 0.00 C ATOM 1787 OG1 THR A 119 -13.593 -9.180 -1.280 1.00 0.00 O ATOM 1788 CG2 THR A 119 -14.622 -10.944 -0.156 1.00 0.00 C ATOM 0 H THR A 119 -12.363 -13.144 -0.634 1.00 0.00 H new ATOM 0 HA THR A 119 -11.746 -10.673 -2.053 1.00 0.00 H new ATOM 0 HB THR A 119 -14.254 -10.970 -2.277 1.00 0.00 H new ATOM 0 HG1 THR A 119 -12.845 -8.905 -1.850 1.00 0.00 H new ATOM 0 HG21 THR A 119 -15.620 -10.521 -0.273 1.00 0.00 H new ATOM 0 HG22 THR A 119 -14.695 -12.028 -0.066 1.00 0.00 H new ATOM 0 HG23 THR A 119 -14.158 -10.536 0.742 1.00 0.00 H new ATOM 1796 N TRP A 120 -10.906 -9.745 0.037 1.00 0.00 N ATOM 1797 CA TRP A 120 -10.189 -9.323 1.228 1.00 0.00 C ATOM 1798 C TRP A 120 -11.221 -8.965 2.299 1.00 0.00 C ATOM 1799 O TRP A 120 -11.097 -9.381 3.450 1.00 0.00 O ATOM 1800 CB TRP A 120 -9.231 -8.173 0.912 1.00 0.00 C ATOM 1801 CG TRP A 120 -7.853 -8.626 0.428 1.00 0.00 C ATOM 1802 CD1 TRP A 120 -7.386 -8.649 -0.828 1.00 0.00 C ATOM 1803 CD2 TRP A 120 -6.774 -9.123 1.247 1.00 0.00 C ATOM 1804 NE1 TRP A 120 -6.091 -9.123 -0.878 1.00 0.00 N ATOM 1805 CE2 TRP A 120 -5.707 -9.420 0.424 1.00 0.00 C ATOM 1806 CE3 TRP A 120 -6.702 -9.314 2.638 1.00 0.00 C ATOM 1807 CZ2 TRP A 120 -4.491 -9.927 0.898 1.00 0.00 C ATOM 1808 CZ3 TRP A 120 -5.480 -9.821 3.096 1.00 0.00 C ATOM 1809 CH2 TRP A 120 -4.396 -10.126 2.281 1.00 0.00 C ATOM 0 H TRP A 120 -10.778 -9.140 -0.774 1.00 0.00 H new ATOM 0 HA TRP A 120 -9.561 -10.129 1.606 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -9.682 -7.538 0.150 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -9.108 -7.561 1.805 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -7.952 -8.336 -1.693 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -5.521 -9.235 -1.716 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -7.524 -9.088 3.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -3.670 -10.152 0.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -5.372 -9.987 4.158 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -3.485 -10.514 2.712 1.00 0.00 H new ATOM 1820 N GLY A 121 -12.217 -8.197 1.882 1.00 0.00 N ATOM 1821 CA GLY A 121 -13.270 -7.778 2.792 1.00 0.00 C ATOM 1822 C GLY A 121 -13.588 -6.292 2.616 1.00 0.00 C ATOM 1823 O GLY A 121 -12.681 -5.466 2.523 1.00 0.00 O ATOM 0 H GLY A 121 -12.317 -7.854 0.927 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -14.168 -8.369 2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -12.964 -7.969 3.821 1.00 0.00 H new ATOM 1827 N CYS A 122 -14.879 -5.996 2.575 1.00 0.00 N ATOM 1828 CA CYS A 122 -15.327 -4.624 2.411 1.00 0.00 C ATOM 1829 C CYS A 122 -15.962 -4.166 3.726 1.00 0.00 C ATOM 1830 O CYS A 122 -15.659 -4.708 4.788 1.00 0.00 O ATOM 1831 CB CYS A 122 -16.291 -4.480 1.232 1.00 0.00 C ATOM 1832 SG CYS A 122 -17.871 -5.323 1.608 1.00 0.00 S ATOM 0 H CYS A 122 -15.629 -6.683 2.653 1.00 0.00 H new ATOM 0 HA CYS A 122 -14.474 -3.986 2.178 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -16.472 -3.425 1.027 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -15.846 -4.908 0.334 1.00 0.00 H new ATOM 0 HG CYS A 122 -18.683 -5.192 0.601 1.00 0.00 H new ATOM 1838 N GLY A 123 -16.832 -3.174 3.612 1.00 0.00 N ATOM 1839 CA GLY A 123 -17.513 -2.637 4.778 1.00 0.00 C ATOM 1840 C GLY A 123 -17.018 -1.225 5.100 1.00 0.00 C ATOM 1841 O GLY A 123 -15.933 -0.832 4.676 1.00 0.00 O ATOM 0 H GLY A 123 -17.081 -2.727 2.729 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -18.588 -2.617 4.599 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -17.345 -3.290 5.635 1.00 0.00 H new ATOM 1845 N SER A 124 -17.838 -0.502 5.848 1.00 0.00 N ATOM 1846 CA SER A 124 -17.498 0.858 6.232 1.00 0.00 C ATOM 1847 C SER A 124 -16.184 0.866 7.016 1.00 0.00 C ATOM 1848 O SER A 124 -15.245 1.572 6.652 1.00 0.00 O ATOM 1849 CB SER A 124 -18.616 1.492 7.062 1.00 0.00 C ATOM 1850 OG SER A 124 -18.789 0.835 8.314 1.00 0.00 O ATOM 0 H SER A 124 -18.737 -0.832 6.199 1.00 0.00 H new ATOM 0 HA SER A 124 -17.376 1.450 5.325 1.00 0.00 H new ATOM 0 HB2 SER A 124 -18.389 2.544 7.233 1.00 0.00 H new ATOM 0 HB3 SER A 124 -19.550 1.455 6.501 1.00 0.00 H new ATOM 0 HG SER A 124 -19.510 1.270 8.815 1.00 0.00 H new ATOM 1856 N SER A 125 -16.161 0.074 8.078 1.00 0.00 N ATOM 1857 CA SER A 125 -14.978 -0.018 8.917 1.00 0.00 C ATOM 1858 C SER A 125 -14.108 -1.194 8.467 1.00 0.00 C ATOM 1859 O SER A 125 -14.592 -2.318 8.347 1.00 0.00 O ATOM 1860 CB SER A 125 -15.358 -0.173 10.390 1.00 0.00 C ATOM 1861 OG SER A 125 -15.685 -1.520 10.719 1.00 0.00 O ATOM 0 H SER A 125 -16.942 -0.510 8.377 1.00 0.00 H new ATOM 0 HA SER A 125 -14.411 0.907 8.812 1.00 0.00 H new ATOM 0 HB2 SER A 125 -14.530 0.162 11.015 1.00 0.00 H new ATOM 0 HB3 SER A 125 -16.208 0.471 10.615 1.00 0.00 H new ATOM 0 HG SER A 125 -15.920 -1.577 11.669 1.00 0.00 H new ATOM 1867 N LEU A 126 -12.839 -0.894 8.231 1.00 0.00 N ATOM 1868 CA LEU A 126 -11.898 -1.912 7.797 1.00 0.00 C ATOM 1869 C LEU A 126 -10.586 -1.748 8.567 1.00 0.00 C ATOM 1870 O LEU A 126 -10.297 -0.671 9.087 1.00 0.00 O ATOM 1871 CB LEU A 126 -11.728 -1.872 6.277 1.00 0.00 C ATOM 1872 CG LEU A 126 -12.998 -1.606 5.467 1.00 0.00 C ATOM 1873 CD1 LEU A 126 -12.689 -0.779 4.218 1.00 0.00 C ATOM 1874 CD2 LEU A 126 -13.715 -2.914 5.126 1.00 0.00 C ATOM 0 H LEU A 126 -12.441 0.040 8.332 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.281 -2.907 8.025 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -10.997 -1.101 6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.307 -2.824 5.953 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.678 -1.017 6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -13.609 -0.604 3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -12.256 0.177 4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -11.981 -1.320 3.590 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -14.614 -2.696 4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -13.053 -3.550 4.538 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.989 -3.429 6.047 1.00 0.00 H new ATOM 1886 N ARG A 127 -9.826 -2.832 8.615 1.00 0.00 N ATOM 1887 CA ARG A 127 -8.551 -2.822 9.313 1.00 0.00 C ATOM 1888 C ARG A 127 -7.671 -3.976 8.828 1.00 0.00 C ATOM 1889 O ARG A 127 -8.073 -5.137 8.892 1.00 0.00 O ATOM 1890 CB ARG A 127 -8.750 -2.942 10.825 1.00 0.00 C ATOM 1891 CG ARG A 127 -7.558 -2.353 11.583 1.00 0.00 C ATOM 1892 CD ARG A 127 -7.553 -2.816 13.041 1.00 0.00 C ATOM 1893 NE ARG A 127 -6.710 -1.913 13.856 1.00 0.00 N ATOM 1894 CZ ARG A 127 -6.373 -2.148 15.132 1.00 0.00 C ATOM 1895 NH1 ARG A 127 -6.806 -3.257 15.746 1.00 0.00 N ATOM 1896 NH2 ARG A 127 -5.604 -1.272 15.793 1.00 0.00 N ATOM 0 H ARG A 127 -10.068 -3.723 8.182 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.062 -1.872 9.097 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -9.663 -2.424 11.117 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -8.877 -3.990 11.097 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -6.629 -2.655 11.099 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -7.599 -1.264 11.543 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -8.571 -2.827 13.431 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -7.175 -3.836 13.106 1.00 0.00 H new ATOM 0 HE ARG A 127 -6.364 -1.059 13.420 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -7.392 -3.923 15.243 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -6.549 -3.436 16.717 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -5.276 -0.427 15.325 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -5.347 -1.450 16.764 1.00 0.00 H new ATOM 1910 N THR A 128 -6.487 -3.617 8.354 1.00 0.00 N ATOM 1911 CA THR A 128 -5.548 -4.608 7.858 1.00 0.00 C ATOM 1912 C THR A 128 -4.237 -4.540 8.645 1.00 0.00 C ATOM 1913 O THR A 128 -3.962 -3.546 9.315 1.00 0.00 O ATOM 1914 CB THR A 128 -5.367 -4.379 6.356 1.00 0.00 C ATOM 1915 OG1 THR A 128 -6.594 -4.827 5.787 1.00 0.00 O ATOM 1916 CG2 THR A 128 -4.313 -5.305 5.745 1.00 0.00 C ATOM 0 H THR A 128 -6.157 -2.653 8.303 1.00 0.00 H new ATOM 0 HA THR A 128 -5.927 -5.620 8.003 1.00 0.00 H new ATOM 0 HB THR A 128 -5.085 -3.341 6.178 1.00 0.00 H new ATOM 0 HG1 THR A 128 -6.945 -4.140 5.183 1.00 0.00 H new ATOM 0 HG21 THR A 128 -4.224 -5.101 4.678 1.00 0.00 H new ATOM 0 HG22 THR A 128 -3.352 -5.132 6.229 1.00 0.00 H new ATOM 0 HG23 THR A 128 -4.611 -6.343 5.892 1.00 0.00 H new ATOM 1924 N ALA A 129 -3.463 -5.610 8.536 1.00 0.00 N ATOM 1925 CA ALA A 129 -2.188 -5.685 9.229 1.00 0.00 C ATOM 1926 C ALA A 129 -1.297 -6.720 8.539 1.00 0.00 C ATOM 1927 O ALA A 129 -1.794 -7.622 7.867 1.00 0.00 O ATOM 1928 CB ALA A 129 -2.426 -6.012 10.704 1.00 0.00 C ATOM 0 H ALA A 129 -3.694 -6.432 7.978 1.00 0.00 H new ATOM 0 HA ALA A 129 -1.672 -4.726 9.187 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -1.469 -6.068 11.223 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.039 -5.232 11.155 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -2.940 -6.970 10.786 1.00 0.00 H new ATOM 1934 N LEU A 130 0.004 -6.554 8.728 1.00 0.00 N ATOM 1935 CA LEU A 130 0.968 -7.463 8.132 1.00 0.00 C ATOM 1936 C LEU A 130 1.779 -8.138 9.241 1.00 0.00 C ATOM 1937 O LEU A 130 2.282 -7.469 10.142 1.00 0.00 O ATOM 1938 CB LEU A 130 1.828 -6.731 7.101 1.00 0.00 C ATOM 1939 CG LEU A 130 2.983 -7.534 6.498 1.00 0.00 C ATOM 1940 CD1 LEU A 130 2.486 -8.455 5.383 1.00 0.00 C ATOM 1941 CD2 LEU A 130 4.104 -6.608 6.021 1.00 0.00 C ATOM 0 H LEU A 130 0.413 -5.804 9.285 1.00 0.00 H new ATOM 0 HA LEU A 130 0.457 -8.254 7.583 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.181 -6.397 6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 130 2.239 -5.837 7.569 1.00 0.00 H new ATOM 0 HG LEU A 130 3.402 -8.170 7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.326 -9.014 4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.750 -9.150 5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 130 2.027 -7.858 4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 130 4.912 -7.204 5.597 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.717 -5.929 5.261 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.483 -6.031 6.864 1.00 0.00 H new ATOM 1953 N ILE A 131 1.880 -9.455 9.137 1.00 0.00 N ATOM 1954 CA ILE A 131 2.621 -10.228 10.120 1.00 0.00 C ATOM 1955 C ILE A 131 3.832 -10.876 9.445 1.00 0.00 C ATOM 1956 O ILE A 131 3.773 -11.236 8.270 1.00 0.00 O ATOM 1957 CB ILE A 131 1.699 -11.228 10.821 1.00 0.00 C ATOM 1958 CG1 ILE A 131 0.377 -10.568 11.218 1.00 0.00 C ATOM 1959 CG2 ILE A 131 2.400 -11.873 12.018 1.00 0.00 C ATOM 1960 CD1 ILE A 131 0.610 -9.425 12.208 1.00 0.00 C ATOM 0 H ILE A 131 1.461 -10.006 8.388 1.00 0.00 H new ATOM 0 HA ILE A 131 3.004 -9.578 10.906 1.00 0.00 H new ATOM 0 HB ILE A 131 1.462 -12.027 10.118 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -0.125 -10.187 10.329 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -0.285 -11.311 11.664 1.00 0.00 H new ATOM 0 HG21 ILE A 131 1.723 -12.579 12.499 1.00 0.00 H new ATOM 0 HG22 ILE A 131 3.292 -12.399 11.677 1.00 0.00 H new ATOM 0 HG23 ILE A 131 2.685 -11.101 12.732 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -0.346 -8.973 12.474 1.00 0.00 H new ATOM 0 HD12 ILE A 131 1.090 -9.814 13.106 1.00 0.00 H new ATOM 0 HD13 ILE A 131 1.252 -8.673 11.750 1.00 0.00 H new ATOM 1972 N ASN A 132 4.901 -11.006 10.216 1.00 0.00 N ATOM 1973 CA ASN A 132 6.123 -11.604 9.708 1.00 0.00 C ATOM 1974 C ASN A 132 6.183 -13.072 10.135 1.00 0.00 C ATOM 1975 O ASN A 132 5.208 -13.610 10.659 1.00 0.00 O ATOM 1976 CB ASN A 132 7.358 -10.898 10.270 1.00 0.00 C ATOM 1977 CG ASN A 132 7.368 -10.946 11.800 1.00 0.00 C ATOM 1978 OD1 ASN A 132 7.949 -11.824 12.415 1.00 0.00 O ATOM 1979 ND2 ASN A 132 6.694 -9.955 12.376 1.00 0.00 N ATOM 0 H ASN A 132 4.946 -10.707 11.190 1.00 0.00 H new ATOM 0 HA ASN A 132 6.117 -11.510 8.622 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.260 -11.371 9.882 1.00 0.00 H new ATOM 0 HB3 ASN A 132 7.373 -9.861 9.935 1.00 0.00 H new ATOM 0 HD21 ASN A 132 6.641 -9.898 13.393 1.00 0.00 H new ATOM 0 HD22 ASN A 132 6.230 -9.252 11.801 1.00 0.00 H new ATOM 1986 N SER A 133 7.336 -13.679 9.894 1.00 0.00 N ATOM 1987 CA SER A 133 7.535 -15.074 10.247 1.00 0.00 C ATOM 1988 C SER A 133 6.806 -15.393 11.554 1.00 0.00 C ATOM 1989 O SER A 133 5.942 -16.268 11.590 1.00 0.00 O ATOM 1990 CB SER A 133 9.024 -15.402 10.377 1.00 0.00 C ATOM 1991 OG SER A 133 9.557 -14.978 11.629 1.00 0.00 O ATOM 0 H SER A 133 8.142 -13.230 9.459 1.00 0.00 H new ATOM 0 HA SER A 133 7.122 -15.691 9.448 1.00 0.00 H new ATOM 0 HB2 SER A 133 9.169 -16.477 10.266 1.00 0.00 H new ATOM 0 HB3 SER A 133 9.573 -14.921 9.568 1.00 0.00 H new ATOM 0 HG SER A 133 10.509 -15.207 11.674 1.00 0.00 H new ATOM 1997 N THR A 134 7.181 -14.666 12.596 1.00 0.00 N ATOM 1998 CA THR A 134 6.573 -14.860 13.902 1.00 0.00 C ATOM 1999 C THR A 134 5.239 -14.115 13.985 1.00 0.00 C ATOM 2000 O THR A 134 4.980 -13.208 13.196 1.00 0.00 O ATOM 2001 CB THR A 134 7.582 -14.419 14.964 1.00 0.00 C ATOM 2002 OG1 THR A 134 6.830 -14.407 16.174 1.00 0.00 O ATOM 2003 CG2 THR A 134 8.024 -12.965 14.784 1.00 0.00 C ATOM 0 H THR A 134 7.898 -13.942 12.563 1.00 0.00 H new ATOM 0 HA THR A 134 6.335 -15.909 14.075 1.00 0.00 H new ATOM 0 HB THR A 134 8.455 -15.070 14.928 1.00 0.00 H new ATOM 0 HG1 THR A 134 7.409 -14.133 16.916 1.00 0.00 H new ATOM 0 HG21 THR A 134 8.740 -12.703 15.563 1.00 0.00 H new ATOM 0 HG22 THR A 134 8.492 -12.845 13.807 1.00 0.00 H new ATOM 0 HG23 THR A 134 7.156 -12.310 14.854 1.00 0.00 H new ATOM 2011 N GLY A 135 4.428 -14.526 14.948 1.00 0.00 N ATOM 2012 CA GLY A 135 3.127 -13.909 15.145 1.00 0.00 C ATOM 2013 C GLY A 135 3.272 -12.472 15.650 1.00 0.00 C ATOM 2014 O GLY A 135 2.850 -12.155 16.761 1.00 0.00 O ATOM 0 H GLY A 135 4.646 -15.279 15.601 1.00 0.00 H new ATOM 0 HA2 GLY A 135 2.572 -13.914 14.207 1.00 0.00 H new ATOM 0 HA3 GLY A 135 2.548 -14.493 15.861 1.00 0.00 H new ATOM 2018 N GLU A 136 3.871 -11.641 14.810 1.00 0.00 N ATOM 2019 CA GLU A 136 4.078 -10.246 15.157 1.00 0.00 C ATOM 2020 C GLU A 136 3.810 -9.352 13.944 1.00 0.00 C ATOM 2021 O GLU A 136 4.224 -9.670 12.831 1.00 0.00 O ATOM 2022 CB GLU A 136 5.489 -10.019 15.704 1.00 0.00 C ATOM 2023 CG GLU A 136 5.885 -8.545 15.606 1.00 0.00 C ATOM 2024 CD GLU A 136 7.266 -8.307 16.219 1.00 0.00 C ATOM 2025 OE1 GLU A 136 7.487 -8.819 17.338 1.00 0.00 O ATOM 2026 OE2 GLU A 136 8.071 -7.618 15.555 1.00 0.00 O ATOM 0 H GLU A 136 4.220 -11.908 13.889 1.00 0.00 H new ATOM 0 HA GLU A 136 3.372 -9.980 15.944 1.00 0.00 H new ATOM 0 HB2 GLU A 136 5.536 -10.343 16.744 1.00 0.00 H new ATOM 0 HB3 GLU A 136 6.201 -10.628 15.147 1.00 0.00 H new ATOM 0 HG2 GLU A 136 5.888 -8.234 14.561 1.00 0.00 H new ATOM 0 HG3 GLU A 136 5.145 -7.931 16.119 1.00 0.00 H new ATOM 2033 N GLU A 137 3.119 -8.251 14.202 1.00 0.00 N ATOM 2034 CA GLU A 137 2.791 -7.309 13.146 1.00 0.00 C ATOM 2035 C GLU A 137 3.954 -6.341 12.917 1.00 0.00 C ATOM 2036 O GLU A 137 4.602 -5.908 13.869 1.00 0.00 O ATOM 2037 CB GLU A 137 1.502 -6.550 13.468 1.00 0.00 C ATOM 2038 CG GLU A 137 1.125 -5.601 12.329 1.00 0.00 C ATOM 2039 CD GLU A 137 0.383 -4.373 12.861 1.00 0.00 C ATOM 2040 OE1 GLU A 137 -0.751 -4.564 13.350 1.00 0.00 O ATOM 2041 OE2 GLU A 137 0.967 -3.272 12.766 1.00 0.00 O ATOM 0 H GLU A 137 2.777 -7.991 15.127 1.00 0.00 H new ATOM 0 HA GLU A 137 2.624 -7.870 12.226 1.00 0.00 H new ATOM 0 HB2 GLU A 137 0.692 -7.259 13.639 1.00 0.00 H new ATOM 0 HB3 GLU A 137 1.630 -5.984 14.391 1.00 0.00 H new ATOM 0 HG2 GLU A 137 2.025 -5.286 11.801 1.00 0.00 H new ATOM 0 HG3 GLU A 137 0.498 -6.125 11.607 1.00 0.00 H new ATOM 2048 N VAL A 138 4.184 -6.031 11.650 1.00 0.00 N ATOM 2049 CA VAL A 138 5.258 -5.123 11.284 1.00 0.00 C ATOM 2050 C VAL A 138 4.660 -3.788 10.833 1.00 0.00 C ATOM 2051 O VAL A 138 5.200 -2.727 11.141 1.00 0.00 O ATOM 2052 CB VAL A 138 6.150 -5.768 10.221 1.00 0.00 C ATOM 2053 CG1 VAL A 138 7.135 -6.751 10.856 1.00 0.00 C ATOM 2054 CG2 VAL A 138 5.309 -6.453 9.142 1.00 0.00 C ATOM 0 H VAL A 138 3.645 -6.393 10.863 1.00 0.00 H new ATOM 0 HA VAL A 138 5.896 -4.920 12.144 1.00 0.00 H new ATOM 0 HB VAL A 138 6.728 -4.977 9.743 1.00 0.00 H new ATOM 0 HG11 VAL A 138 7.757 -7.196 10.079 1.00 0.00 H new ATOM 0 HG12 VAL A 138 7.767 -6.223 11.569 1.00 0.00 H new ATOM 0 HG13 VAL A 138 6.583 -7.536 11.373 1.00 0.00 H new ATOM 0 HG21 VAL A 138 5.967 -6.903 8.399 1.00 0.00 H new ATOM 0 HG22 VAL A 138 4.693 -7.228 9.598 1.00 0.00 H new ATOM 0 HG23 VAL A 138 4.667 -5.716 8.659 1.00 0.00 H new ATOM 2064 N ALA A 139 3.553 -3.886 10.111 1.00 0.00 N ATOM 2065 CA ALA A 139 2.876 -2.700 9.615 1.00 0.00 C ATOM 2066 C ALA A 139 1.363 -2.913 9.689 1.00 0.00 C ATOM 2067 O ALA A 139 0.896 -4.047 9.789 1.00 0.00 O ATOM 2068 CB ALA A 139 3.354 -2.397 8.194 1.00 0.00 C ATOM 0 H ALA A 139 3.108 -4.768 9.858 1.00 0.00 H new ATOM 0 HA ALA A 139 3.117 -1.834 10.232 1.00 0.00 H new ATOM 0 HB1 ALA A 139 2.846 -1.507 7.821 1.00 0.00 H new ATOM 0 HB2 ALA A 139 4.430 -2.225 8.201 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.126 -3.243 7.545 1.00 0.00 H new ATOM 2074 N MET A 140 0.638 -1.805 9.638 1.00 0.00 N ATOM 2075 CA MET A 140 -0.812 -1.856 9.698 1.00 0.00 C ATOM 2076 C MET A 140 -1.437 -0.825 8.756 1.00 0.00 C ATOM 2077 O MET A 140 -0.817 0.190 8.442 1.00 0.00 O ATOM 2078 CB MET A 140 -1.274 -1.585 11.131 1.00 0.00 C ATOM 2079 CG MET A 140 -1.082 -0.112 11.499 1.00 0.00 C ATOM 2080 SD MET A 140 -2.590 0.794 11.197 1.00 0.00 S ATOM 2081 CE MET A 140 -3.691 -0.054 12.317 1.00 0.00 C ATOM 0 H MET A 140 1.029 -0.866 9.556 1.00 0.00 H new ATOM 0 HA MET A 140 -1.135 -2.849 9.385 1.00 0.00 H new ATOM 0 HB2 MET A 140 -2.325 -1.856 11.236 1.00 0.00 H new ATOM 0 HB3 MET A 140 -0.713 -2.213 11.823 1.00 0.00 H new ATOM 0 HG2 MET A 140 -0.799 -0.025 12.548 1.00 0.00 H new ATOM 0 HG3 MET A 140 -0.268 0.315 10.913 1.00 0.00 H new ATOM 0 HE1 MET A 140 -4.369 0.666 12.775 1.00 0.00 H new ATOM 0 HE2 MET A 140 -4.269 -0.797 11.767 1.00 0.00 H new ATOM 0 HE3 MET A 140 -3.109 -0.550 13.094 1.00 0.00 H new ATOM 2091 N ARG A 141 -2.656 -1.121 8.331 1.00 0.00 N ATOM 2092 CA ARG A 141 -3.372 -0.232 7.431 1.00 0.00 C ATOM 2093 C ARG A 141 -4.869 -0.251 7.745 1.00 0.00 C ATOM 2094 O ARG A 141 -5.590 -1.141 7.296 1.00 0.00 O ATOM 2095 CB ARG A 141 -3.158 -0.637 5.971 1.00 0.00 C ATOM 2096 CG ARG A 141 -3.529 0.506 5.025 1.00 0.00 C ATOM 2097 CD ARG A 141 -2.730 0.421 3.723 1.00 0.00 C ATOM 2098 NE ARG A 141 -2.490 1.779 3.186 1.00 0.00 N ATOM 2099 CZ ARG A 141 -1.451 2.551 3.533 1.00 0.00 C ATOM 2100 NH1 ARG A 141 -0.549 2.103 4.417 1.00 0.00 N ATOM 2101 NH2 ARG A 141 -1.313 3.771 2.995 1.00 0.00 N ATOM 0 H ARG A 141 -3.167 -1.964 8.593 1.00 0.00 H new ATOM 0 HA ARG A 141 -2.980 0.774 7.578 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -2.116 -0.918 5.817 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -3.762 -1.515 5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -4.596 0.469 4.804 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -3.338 1.462 5.512 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -1.779 -0.081 3.902 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -3.274 -0.177 2.992 1.00 0.00 H new ATOM 0 HE ARG A 141 -3.157 2.151 2.510 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -0.653 1.174 4.826 1.00 0.00 H new ATOM 0 HH12 ARG A 141 0.242 2.691 4.681 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -1.999 4.112 2.321 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -0.522 4.358 3.259 1.00 0.00 H new ATOM 2115 N LYS A 142 -5.293 0.742 8.513 1.00 0.00 N ATOM 2116 CA LYS A 142 -6.691 0.850 8.893 1.00 0.00 C ATOM 2117 C LYS A 142 -7.420 1.746 7.889 1.00 0.00 C ATOM 2118 O LYS A 142 -6.813 2.631 7.288 1.00 0.00 O ATOM 2119 CB LYS A 142 -6.818 1.321 10.343 1.00 0.00 C ATOM 2120 CG LYS A 142 -8.228 1.069 10.880 1.00 0.00 C ATOM 2121 CD LYS A 142 -9.034 2.368 10.938 1.00 0.00 C ATOM 2122 CE LYS A 142 -10.140 2.281 11.992 1.00 0.00 C ATOM 2123 NZ LYS A 142 -11.210 1.362 11.545 1.00 0.00 N ATOM 0 H LYS A 142 -4.693 1.479 8.882 1.00 0.00 H new ATOM 0 HA LYS A 142 -7.172 -0.127 8.857 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -6.090 0.799 10.964 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.586 2.384 10.405 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -8.740 0.348 10.243 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -8.168 0.629 11.876 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -8.371 3.201 11.170 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -9.473 2.572 9.961 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -9.724 1.932 12.937 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -10.556 3.272 12.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -12.138 1.773 11.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -11.137 1.218 10.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -11.108 0.448 12.031 1.00 0.00 H new ATOM 2137 N LEU A 143 -8.710 1.485 7.738 1.00 0.00 N ATOM 2138 CA LEU A 143 -9.527 2.256 6.817 1.00 0.00 C ATOM 2139 C LEU A 143 -11.002 2.093 7.191 1.00 0.00 C ATOM 2140 O LEU A 143 -11.542 0.990 7.130 1.00 0.00 O ATOM 2141 CB LEU A 143 -9.213 1.871 5.370 1.00 0.00 C ATOM 2142 CG LEU A 143 -8.128 2.697 4.677 1.00 0.00 C ATOM 2143 CD1 LEU A 143 -6.855 1.873 4.478 1.00 0.00 C ATOM 2144 CD2 LEU A 143 -8.643 3.283 3.361 1.00 0.00 C ATOM 0 H LEU A 143 -9.210 0.750 8.238 1.00 0.00 H new ATOM 0 HA LEU A 143 -9.293 3.317 6.897 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -8.912 0.823 5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -10.130 1.950 4.787 1.00 0.00 H new ATOM 0 HG LEU A 143 -7.871 3.535 5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -6.100 2.484 3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -6.479 1.545 5.447 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -7.078 1.002 3.862 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -7.852 3.866 2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -8.945 2.474 2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -9.499 3.927 3.560 1.00 0.00 H new ATOM 2156 N VAL A 144 -11.610 3.207 7.570 1.00 0.00 N ATOM 2157 CA VAL A 144 -13.012 3.201 7.953 1.00 0.00 C ATOM 2158 C VAL A 144 -13.755 4.287 7.172 1.00 0.00 C ATOM 2159 O VAL A 144 -13.165 5.298 6.795 1.00 0.00 O ATOM 2160 CB VAL A 144 -13.140 3.362 9.469 1.00 0.00 C ATOM 2161 CG1 VAL A 144 -12.784 4.786 9.902 1.00 0.00 C ATOM 2162 CG2 VAL A 144 -14.543 2.979 9.945 1.00 0.00 C ATOM 0 H VAL A 144 -11.158 4.120 7.620 1.00 0.00 H new ATOM 0 HA VAL A 144 -13.473 2.246 7.700 1.00 0.00 H new ATOM 0 HB VAL A 144 -12.429 2.682 9.939 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -12.883 4.873 10.984 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -11.757 5.008 9.613 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -13.458 5.493 9.418 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -14.607 3.103 11.026 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -15.279 3.622 9.462 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -14.744 1.939 9.686 1.00 0.00 H new ATOM 2172 N ARG A 145 -15.038 4.040 6.952 1.00 0.00 N ATOM 2173 CA ARG A 145 -15.867 4.983 6.222 1.00 0.00 C ATOM 2174 C ARG A 145 -16.701 5.820 7.195 1.00 0.00 C ATOM 2175 O ARG A 145 -17.013 5.369 8.297 1.00 0.00 O ATOM 2176 CB ARG A 145 -16.802 4.259 5.252 1.00 0.00 C ATOM 2177 CG ARG A 145 -17.563 5.257 4.376 1.00 0.00 C ATOM 2178 CD ARG A 145 -18.419 4.532 3.336 1.00 0.00 C ATOM 2179 NE ARG A 145 -18.564 5.371 2.126 1.00 0.00 N ATOM 2180 CZ ARG A 145 -19.426 5.115 1.132 1.00 0.00 C ATOM 2181 NH1 ARG A 145 -20.226 4.042 1.200 1.00 0.00 N ATOM 2182 NH2 ARG A 145 -19.488 5.931 0.072 1.00 0.00 N ATOM 0 H ARG A 145 -15.524 3.200 7.267 1.00 0.00 H new ATOM 0 HA ARG A 145 -15.205 5.634 5.652 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -16.225 3.583 4.622 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -17.510 3.647 5.812 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -18.198 5.885 5.001 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -16.857 5.918 3.874 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -17.959 3.579 3.075 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -19.401 4.308 3.753 1.00 0.00 H new ATOM 0 HE ARG A 145 -17.970 6.196 2.043 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -20.179 3.421 2.008 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -20.882 3.846 0.444 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -18.879 6.748 0.021 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -20.144 5.736 -0.684 1.00 0.00 H new