USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=25 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= -1.73! C(o=-0.66!,f=-7.1!) USER MOD Set 1.2: A 134 THR OG1 : rot -66:sc= 1.07 USER MOD Set 2.1: A 119 THR OG1 : rot -157:sc=0.000816 USER MOD Set 2.2: A 122 CYS SG : rot -52:sc= 0.814 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 36 THR OG1 : rot 90:sc= -1.14 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 56 ASN : amide:sc= -1.55 K(o=-1.5,f=-20!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -131:sc= -1.52 USER MOD Single : A 59 ASN : amide:sc= -0.422 X(o=-0.42,f=-0.85) USER MOD Single : A 62 GLN :FLIP amide:sc= -2.58 F(o=-3.3,f=-2.6) USER MOD Single : A 63 SER OG : rot 28:sc= 0.192 USER MOD Single : A 64 MET CE :methyl 163:sc= -3.91! (180deg=-5.35!) USER MOD Single : A 66 ASN :FLIP amide:sc= -3.07 F(o=-4.3!,f=-3.1) USER MOD Single : A 68 GLN : amide:sc= -2.07! C(o=-2.1!,f=-4.6!) USER MOD Single : A 72 GLN : amide:sc= -1.39 K(o=-1.4,f=-6.8!) USER MOD Single : A 73 ASN : amide:sc= -0.0747 X(o=-0.075,f=-0.073) USER MOD Single : A 79 MET CE :methyl 168:sc= -0.549 (180deg=-1.19) USER MOD Single : A 80 THR OG1 : rot 160:sc= -0.0514 USER MOD Single : A 81 TYR OH : rot 30:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 27:sc= -0.282 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -1.36 K(o=-1.4,f=-2.1!) USER MOD Single : A 96 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -3.54 K(o=-3.5,f=-6.6!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -2:sc= -0.444 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN :FLIP amide:sc= -10.3! C(o=-15!,f=-10!) USER MOD Single : A 118 ASN :FLIP amide:sc= -0.347 F(o=-1.2,f=-0.35) USER MOD Single : A 124 SER OG : rot 180:sc= -0.0254 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot -130:sc= -3.33 USER MOD Single : A 133 SER OG : rot 180:sc= -0.0166 USER MOD Single : A 140 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 439 N HIS A 33 -5.994 4.995 8.147 1.00 0.00 N ATOM 440 CA HIS A 33 -5.125 5.103 9.307 1.00 0.00 C ATOM 441 C HIS A 33 -4.129 3.942 9.312 1.00 0.00 C ATOM 442 O HIS A 33 -4.305 2.970 10.046 1.00 0.00 O ATOM 443 CB HIS A 33 -5.947 5.184 10.595 1.00 0.00 C ATOM 444 CG HIS A 33 -6.530 6.551 10.866 1.00 0.00 C ATOM 445 ND1 HIS A 33 -5.747 7.676 11.058 1.00 0.00 N ATOM 446 CD2 HIS A 33 -7.827 6.961 10.974 1.00 0.00 C ATOM 447 CE1 HIS A 33 -6.547 8.710 11.271 1.00 0.00 C ATOM 448 NE2 HIS A 33 -7.835 8.265 11.219 1.00 0.00 N ATOM 0 HA HIS A 33 -4.551 6.028 9.251 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.758 4.458 10.542 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.316 4.896 11.436 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.699 6.331 10.877 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.234 9.727 11.454 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -8.668 8.840 11.347 1.00 0.00 H new ATOM 456 N ALA A 34 -3.104 4.080 8.484 1.00 0.00 N ATOM 457 CA ALA A 34 -2.079 3.055 8.384 1.00 0.00 C ATOM 458 C ALA A 34 -0.844 3.496 9.171 1.00 0.00 C ATOM 459 O ALA A 34 -0.650 4.686 9.414 1.00 0.00 O ATOM 460 CB ALA A 34 -1.766 2.788 6.910 1.00 0.00 C ATOM 0 H ALA A 34 -2.961 4.886 7.876 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.429 2.119 8.818 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.997 2.019 6.835 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.669 2.449 6.402 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.409 3.705 6.442 1.00 0.00 H new ATOM 466 N ARG A 35 -0.040 2.513 9.549 1.00 0.00 N ATOM 467 CA ARG A 35 1.172 2.784 10.304 1.00 0.00 C ATOM 468 C ARG A 35 2.186 1.657 10.103 1.00 0.00 C ATOM 469 O ARG A 35 1.982 0.541 10.578 1.00 0.00 O ATOM 470 CB ARG A 35 0.869 2.929 11.796 1.00 0.00 C ATOM 471 CG ARG A 35 1.266 4.317 12.304 1.00 0.00 C ATOM 472 CD ARG A 35 0.030 5.178 12.571 1.00 0.00 C ATOM 473 NE ARG A 35 0.437 6.563 12.894 1.00 0.00 N ATOM 474 CZ ARG A 35 -0.407 7.603 12.942 1.00 0.00 C ATOM 475 NH1 ARG A 35 -1.710 7.420 12.688 1.00 0.00 N ATOM 476 NH2 ARG A 35 0.052 8.825 13.243 1.00 0.00 N ATOM 0 H ARG A 35 -0.204 1.527 9.346 1.00 0.00 H new ATOM 0 HA ARG A 35 1.589 3.721 9.937 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.194 2.763 11.973 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.408 2.165 12.356 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.850 4.220 13.219 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.904 4.808 11.569 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.620 5.176 11.696 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.545 4.757 13.396 1.00 0.00 H new ATOM 0 HE ARG A 35 1.422 6.738 13.093 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.059 6.490 12.458 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.353 8.211 12.724 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.044 8.964 13.436 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.590 9.616 13.279 1.00 0.00 H new ATOM 490 N THR A 36 3.259 1.988 9.398 1.00 0.00 N ATOM 491 CA THR A 36 4.306 1.017 9.129 1.00 0.00 C ATOM 492 C THR A 36 5.266 0.925 10.316 1.00 0.00 C ATOM 493 O THR A 36 5.507 1.917 11.002 1.00 0.00 O ATOM 494 CB THR A 36 4.993 1.414 7.821 1.00 0.00 C ATOM 495 OG1 THR A 36 4.332 0.631 6.830 1.00 0.00 O ATOM 496 CG2 THR A 36 6.448 0.944 7.758 1.00 0.00 C ATOM 0 H THR A 36 3.425 2.915 9.005 1.00 0.00 H new ATOM 0 HA THR A 36 3.895 0.015 9.006 1.00 0.00 H new ATOM 0 HB THR A 36 4.956 2.497 7.706 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.560 1.126 6.483 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.889 1.251 6.810 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.010 1.388 8.580 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.483 -0.142 7.839 1.00 0.00 H new ATOM 504 N SER A 37 5.789 -0.275 10.522 1.00 0.00 N ATOM 505 CA SER A 37 6.718 -0.509 11.615 1.00 0.00 C ATOM 506 C SER A 37 7.596 -1.723 11.304 1.00 0.00 C ATOM 507 O SER A 37 7.322 -2.827 11.773 1.00 0.00 O ATOM 508 CB SER A 37 5.974 -0.716 12.935 1.00 0.00 C ATOM 509 OG SER A 37 6.588 -0.009 14.010 1.00 0.00 O ATOM 0 H SER A 37 5.587 -1.096 9.951 1.00 0.00 H new ATOM 0 HA SER A 37 7.351 0.372 11.721 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.942 -0.384 12.825 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.943 -1.780 13.171 1.00 0.00 H new ATOM 0 HG SER A 37 6.083 -0.165 14.835 1.00 0.00 H new ATOM 515 N GLY A 38 8.632 -1.478 10.516 1.00 0.00 N ATOM 516 CA GLY A 38 9.551 -2.538 10.137 1.00 0.00 C ATOM 517 C GLY A 38 10.327 -2.165 8.872 1.00 0.00 C ATOM 518 O GLY A 38 10.866 -1.064 8.772 1.00 0.00 O ATOM 0 H GLY A 38 8.856 -0.561 10.129 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.248 -2.728 10.953 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.997 -3.462 9.969 1.00 0.00 H new ATOM 522 N ARG A 39 10.358 -3.103 7.938 1.00 0.00 N ATOM 523 CA ARG A 39 11.058 -2.887 6.683 1.00 0.00 C ATOM 524 C ARG A 39 10.057 -2.697 5.542 1.00 0.00 C ATOM 525 O ARG A 39 10.252 -1.846 4.676 1.00 0.00 O ATOM 526 CB ARG A 39 11.977 -4.066 6.355 1.00 0.00 C ATOM 527 CG ARG A 39 13.341 -3.901 7.029 1.00 0.00 C ATOM 528 CD ARG A 39 14.356 -4.898 6.463 1.00 0.00 C ATOM 529 NE ARG A 39 14.772 -5.850 7.517 1.00 0.00 N ATOM 530 CZ ARG A 39 15.601 -6.882 7.312 1.00 0.00 C ATOM 531 NH1 ARG A 39 16.109 -7.101 6.092 1.00 0.00 N ATOM 532 NH2 ARG A 39 15.924 -7.694 8.328 1.00 0.00 N ATOM 0 H ARG A 39 9.910 -4.015 8.025 1.00 0.00 H new ATOM 0 HA ARG A 39 11.664 -1.988 6.792 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.514 -4.996 6.686 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.107 -4.141 5.275 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.703 -2.884 6.881 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.240 -4.050 8.104 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.918 -5.440 5.625 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.226 -4.365 6.079 1.00 0.00 H new ATOM 0 HE ARG A 39 14.404 -5.712 8.458 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.865 -6.482 5.319 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.740 -7.887 5.936 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.539 -7.526 9.257 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.555 -8.480 8.172 1.00 0.00 H new ATOM 546 N VAL A 40 9.007 -3.504 5.579 1.00 0.00 N ATOM 547 CA VAL A 40 7.974 -3.436 4.559 1.00 0.00 C ATOM 548 C VAL A 40 6.878 -2.471 5.013 1.00 0.00 C ATOM 549 O VAL A 40 6.826 -2.090 6.181 1.00 0.00 O ATOM 550 CB VAL A 40 7.447 -4.839 4.253 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.297 -4.785 3.245 1.00 0.00 C ATOM 552 CG2 VAL A 40 8.570 -5.751 3.755 1.00 0.00 C ATOM 0 H VAL A 40 8.849 -4.209 6.299 1.00 0.00 H new ATOM 0 HA VAL A 40 8.383 -3.047 3.626 1.00 0.00 H new ATOM 0 HB VAL A 40 7.060 -5.261 5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.941 -5.796 3.045 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.482 -4.187 3.654 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.648 -4.333 2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.168 -6.742 3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.001 -5.334 2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.343 -5.828 4.520 1.00 0.00 H new ATOM 562 N ALA A 41 6.028 -2.103 4.065 1.00 0.00 N ATOM 563 CA ALA A 41 4.935 -1.189 4.354 1.00 0.00 C ATOM 564 C ALA A 41 3.781 -1.461 3.387 1.00 0.00 C ATOM 565 O ALA A 41 4.001 -1.668 2.195 1.00 0.00 O ATOM 566 CB ALA A 41 5.440 0.253 4.269 1.00 0.00 C ATOM 0 H ALA A 41 6.074 -2.421 3.097 1.00 0.00 H new ATOM 0 HA ALA A 41 4.561 -1.344 5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.621 0.939 4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.239 0.402 4.995 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.820 0.447 3.266 1.00 0.00 H new ATOM 572 N VAL A 42 2.576 -1.450 3.937 1.00 0.00 N ATOM 573 CA VAL A 42 1.386 -1.693 3.139 1.00 0.00 C ATOM 574 C VAL A 42 1.203 -0.546 2.143 1.00 0.00 C ATOM 575 O VAL A 42 0.534 0.441 2.443 1.00 0.00 O ATOM 576 CB VAL A 42 0.174 -1.891 4.051 1.00 0.00 C ATOM 577 CG1 VAL A 42 -1.070 -2.256 3.239 1.00 0.00 C ATOM 578 CG2 VAL A 42 0.461 -2.946 5.121 1.00 0.00 C ATOM 0 H VAL A 42 2.398 -1.277 4.926 1.00 0.00 H new ATOM 0 HA VAL A 42 1.495 -2.612 2.562 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.023 -0.946 4.557 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.917 -2.391 3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.291 -1.456 2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.889 -3.182 2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.416 -3.068 5.756 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.697 -3.896 4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.308 -2.627 5.729 1.00 0.00 H new ATOM 588 N GLU A 43 1.810 -0.714 0.977 1.00 0.00 N ATOM 589 CA GLU A 43 1.723 0.294 -0.065 1.00 0.00 C ATOM 590 C GLU A 43 0.303 0.860 -0.138 1.00 0.00 C ATOM 591 O GLU A 43 0.079 2.027 0.179 1.00 0.00 O ATOM 592 CB GLU A 43 2.156 -0.275 -1.417 1.00 0.00 C ATOM 593 CG GLU A 43 2.548 0.845 -2.384 1.00 0.00 C ATOM 594 CD GLU A 43 1.315 1.619 -2.855 1.00 0.00 C ATOM 595 OE1 GLU A 43 0.868 2.497 -2.086 1.00 0.00 O ATOM 596 OE2 GLU A 43 0.846 1.314 -3.973 1.00 0.00 O ATOM 0 H GLU A 43 2.364 -1.534 0.731 1.00 0.00 H new ATOM 0 HA GLU A 43 2.405 1.106 0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.999 -0.951 -1.278 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.344 -0.862 -1.845 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.244 1.526 -1.894 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.067 0.423 -3.244 1.00 0.00 H new ATOM 603 N GLU A 44 -0.619 0.007 -0.558 1.00 0.00 N ATOM 604 CA GLU A 44 -2.011 0.407 -0.677 1.00 0.00 C ATOM 605 C GLU A 44 -2.920 -0.824 -0.664 1.00 0.00 C ATOM 606 O GLU A 44 -2.650 -1.807 -1.353 1.00 0.00 O ATOM 607 CB GLU A 44 -2.236 1.242 -1.939 1.00 0.00 C ATOM 608 CG GLU A 44 -3.718 1.575 -2.120 1.00 0.00 C ATOM 609 CD GLU A 44 -4.026 2.990 -1.625 1.00 0.00 C ATOM 610 OE1 GLU A 44 -3.781 3.931 -2.410 1.00 0.00 O ATOM 611 OE2 GLU A 44 -4.499 3.098 -0.473 1.00 0.00 O ATOM 0 H GLU A 44 -0.430 -0.960 -0.820 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.264 1.030 0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.658 2.164 -1.877 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.873 0.696 -2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.988 1.487 -3.172 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.326 0.854 -1.573 1.00 0.00 H new ATOM 618 N VAL A 45 -3.979 -0.729 0.126 1.00 0.00 N ATOM 619 CA VAL A 45 -4.930 -1.822 0.237 1.00 0.00 C ATOM 620 C VAL A 45 -6.327 -1.316 -0.127 1.00 0.00 C ATOM 621 O VAL A 45 -6.841 -0.394 0.504 1.00 0.00 O ATOM 622 CB VAL A 45 -4.862 -2.435 1.637 1.00 0.00 C ATOM 623 CG1 VAL A 45 -6.129 -3.234 1.949 1.00 0.00 C ATOM 624 CG2 VAL A 45 -3.613 -3.304 1.795 1.00 0.00 C ATOM 0 H VAL A 45 -4.200 0.088 0.695 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.680 -2.618 -0.464 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.796 -1.619 2.356 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.054 -3.659 2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.996 -2.576 1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.241 -4.038 1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.589 -3.728 2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.635 -4.110 1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.723 -2.694 1.637 1.00 0.00 H new ATOM 634 N ASP A 46 -6.903 -1.942 -1.143 1.00 0.00 N ATOM 635 CA ASP A 46 -8.231 -1.567 -1.598 1.00 0.00 C ATOM 636 C ASP A 46 -9.219 -1.701 -0.439 1.00 0.00 C ATOM 637 O ASP A 46 -9.441 -2.800 0.069 1.00 0.00 O ATOM 638 CB ASP A 46 -8.703 -2.481 -2.731 1.00 0.00 C ATOM 639 CG ASP A 46 -8.504 -1.920 -4.140 1.00 0.00 C ATOM 640 OD1 ASP A 46 -7.850 -0.860 -4.242 1.00 0.00 O ATOM 641 OD2 ASP A 46 -9.011 -2.564 -5.084 1.00 0.00 O ATOM 0 H ASP A 46 -6.474 -2.707 -1.664 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.187 -0.539 -1.959 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.173 -3.431 -2.656 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.762 -2.695 -2.588 1.00 0.00 H new ATOM 646 N GLU A 47 -9.787 -0.568 -0.052 1.00 0.00 N ATOM 647 CA GLU A 47 -10.747 -0.545 1.038 1.00 0.00 C ATOM 648 C GLU A 47 -11.806 -1.630 0.835 1.00 0.00 C ATOM 649 O GLU A 47 -12.215 -2.290 1.790 1.00 0.00 O ATOM 650 CB GLU A 47 -11.393 0.835 1.170 1.00 0.00 C ATOM 651 CG GLU A 47 -11.906 1.332 -0.183 1.00 0.00 C ATOM 652 CD GLU A 47 -12.776 2.580 -0.015 1.00 0.00 C ATOM 653 OE1 GLU A 47 -12.256 3.562 0.557 1.00 0.00 O ATOM 654 OE2 GLU A 47 -13.942 2.522 -0.461 1.00 0.00 O ATOM 0 H GLU A 47 -9.600 0.341 -0.475 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.217 -0.752 1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.218 0.788 1.881 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.668 1.543 1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.062 1.558 -0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.483 0.545 -0.669 1.00 0.00 H new ATOM 661 N GLU A 48 -12.221 -1.781 -0.414 1.00 0.00 N ATOM 662 CA GLU A 48 -13.225 -2.775 -0.754 1.00 0.00 C ATOM 663 C GLU A 48 -12.705 -4.181 -0.448 1.00 0.00 C ATOM 664 O GLU A 48 -13.461 -5.042 0.000 1.00 0.00 O ATOM 665 CB GLU A 48 -13.643 -2.652 -2.220 1.00 0.00 C ATOM 666 CG GLU A 48 -12.444 -2.848 -3.151 1.00 0.00 C ATOM 667 CD GLU A 48 -12.848 -2.656 -4.614 1.00 0.00 C ATOM 668 OE1 GLU A 48 -13.931 -3.167 -4.975 1.00 0.00 O ATOM 669 OE2 GLU A 48 -12.066 -2.003 -5.338 1.00 0.00 O ATOM 0 H GLU A 48 -11.880 -1.232 -1.203 1.00 0.00 H new ATOM 0 HA GLU A 48 -14.109 -2.595 -0.142 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.409 -3.394 -2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -14.087 -1.672 -2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.658 -2.139 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.031 -3.847 -3.012 1.00 0.00 H new ATOM 676 N GLY A 49 -11.418 -4.370 -0.701 1.00 0.00 N ATOM 677 CA GLY A 49 -10.789 -5.657 -0.458 1.00 0.00 C ATOM 678 C GLY A 49 -10.621 -6.440 -1.762 1.00 0.00 C ATOM 679 O GLY A 49 -10.790 -7.658 -1.785 1.00 0.00 O ATOM 0 H GLY A 49 -10.794 -3.653 -1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.815 -5.508 0.009 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.393 -6.235 0.242 1.00 0.00 H new ATOM 683 N LYS A 50 -10.289 -5.708 -2.816 1.00 0.00 N ATOM 684 CA LYS A 50 -10.096 -6.319 -4.120 1.00 0.00 C ATOM 685 C LYS A 50 -8.679 -6.889 -4.207 1.00 0.00 C ATOM 686 O LYS A 50 -8.469 -7.955 -4.784 1.00 0.00 O ATOM 687 CB LYS A 50 -10.428 -5.322 -5.233 1.00 0.00 C ATOM 688 CG LYS A 50 -11.803 -5.612 -5.837 1.00 0.00 C ATOM 689 CD LYS A 50 -11.692 -5.916 -7.332 1.00 0.00 C ATOM 690 CE LYS A 50 -11.723 -4.628 -8.157 1.00 0.00 C ATOM 691 NZ LYS A 50 -12.049 -4.925 -9.570 1.00 0.00 N ATOM 0 H LYS A 50 -10.149 -4.698 -2.793 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.784 -7.154 -4.255 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.408 -4.307 -4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.667 -5.374 -6.011 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.259 -6.458 -5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.459 -4.755 -5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.766 -6.456 -7.529 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.512 -6.567 -7.636 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.462 -3.942 -7.744 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.756 -4.128 -8.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.066 -4.040 -10.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.329 -5.562 -9.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.982 -5.382 -9.622 1.00 0.00 H new ATOM 705 N PHE A 51 -7.743 -6.154 -3.625 1.00 0.00 N ATOM 706 CA PHE A 51 -6.352 -6.572 -3.630 1.00 0.00 C ATOM 707 C PHE A 51 -5.551 -5.827 -2.560 1.00 0.00 C ATOM 708 O PHE A 51 -5.965 -4.764 -2.098 1.00 0.00 O ATOM 709 CB PHE A 51 -5.785 -6.226 -5.008 1.00 0.00 C ATOM 710 CG PHE A 51 -5.627 -4.725 -5.256 1.00 0.00 C ATOM 711 CD1 PHE A 51 -6.658 -4.010 -5.780 1.00 0.00 C ATOM 712 CD2 PHE A 51 -4.455 -4.105 -4.954 1.00 0.00 C ATOM 713 CE1 PHE A 51 -6.512 -2.616 -6.011 1.00 0.00 C ATOM 714 CE2 PHE A 51 -4.308 -2.712 -5.184 1.00 0.00 C ATOM 715 CZ PHE A 51 -5.339 -1.997 -5.708 1.00 0.00 C ATOM 0 H PHE A 51 -7.921 -5.271 -3.147 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.284 -7.639 -3.419 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.813 -6.707 -5.121 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.438 -6.644 -5.774 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.589 -4.502 -6.021 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.635 -4.673 -4.539 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.331 -2.048 -6.427 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.377 -2.220 -4.943 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.227 -0.937 -5.884 1.00 0.00 H new ATOM 725 N VAL A 52 -4.420 -6.414 -2.197 1.00 0.00 N ATOM 726 CA VAL A 52 -3.558 -5.818 -1.191 1.00 0.00 C ATOM 727 C VAL A 52 -2.161 -5.610 -1.780 1.00 0.00 C ATOM 728 O VAL A 52 -1.477 -6.574 -2.121 1.00 0.00 O ATOM 729 CB VAL A 52 -3.551 -6.684 0.071 1.00 0.00 C ATOM 730 CG1 VAL A 52 -2.426 -6.263 1.019 1.00 0.00 C ATOM 731 CG2 VAL A 52 -4.909 -6.636 0.776 1.00 0.00 C ATOM 0 H VAL A 52 -4.081 -7.296 -2.581 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.936 -4.839 -0.896 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.366 -7.715 -0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.444 -6.894 1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.466 -6.372 0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.566 -5.222 1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.877 -7.260 1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.136 -5.608 1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.682 -7.006 0.102 1.00 0.00 H new ATOM 741 N ARG A 53 -1.779 -4.345 -1.882 1.00 0.00 N ATOM 742 CA ARG A 53 -0.477 -3.998 -2.424 1.00 0.00 C ATOM 743 C ARG A 53 0.502 -3.681 -1.292 1.00 0.00 C ATOM 744 O ARG A 53 0.245 -2.799 -0.474 1.00 0.00 O ATOM 745 CB ARG A 53 -0.573 -2.791 -3.359 1.00 0.00 C ATOM 746 CG ARG A 53 -0.302 -3.198 -4.809 1.00 0.00 C ATOM 747 CD ARG A 53 0.529 -2.135 -5.531 1.00 0.00 C ATOM 748 NE ARG A 53 0.219 -2.146 -6.978 1.00 0.00 N ATOM 749 CZ ARG A 53 0.692 -1.250 -7.854 1.00 0.00 C ATOM 750 NH1 ARG A 53 1.500 -0.266 -7.436 1.00 0.00 N ATOM 751 NH2 ARG A 53 0.358 -1.338 -9.149 1.00 0.00 N ATOM 0 H ARG A 53 -2.349 -3.548 -1.598 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.116 -4.855 -2.992 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.564 -2.345 -3.282 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.144 -2.030 -3.051 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.224 -4.152 -4.830 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.247 -3.343 -5.332 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.318 -1.151 -5.113 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.591 -2.325 -5.377 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.393 -2.882 -7.330 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.755 -0.199 -6.451 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.860 0.416 -8.103 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.256 -2.087 -9.467 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.718 -0.656 -9.816 1.00 0.00 H new ATOM 765 N LEU A 54 1.603 -4.417 -1.281 1.00 0.00 N ATOM 766 CA LEU A 54 2.622 -4.224 -0.262 1.00 0.00 C ATOM 767 C LEU A 54 3.920 -3.762 -0.927 1.00 0.00 C ATOM 768 O LEU A 54 4.325 -4.306 -1.953 1.00 0.00 O ATOM 769 CB LEU A 54 2.780 -5.490 0.583 1.00 0.00 C ATOM 770 CG LEU A 54 1.484 -6.202 0.973 1.00 0.00 C ATOM 771 CD1 LEU A 54 1.751 -7.661 1.348 1.00 0.00 C ATOM 772 CD2 LEU A 54 0.758 -5.448 2.089 1.00 0.00 C ATOM 0 H LEU A 54 1.812 -5.148 -1.961 1.00 0.00 H new ATOM 0 HA LEU A 54 2.323 -3.440 0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.407 -6.193 0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.317 -5.229 1.495 1.00 0.00 H new ATOM 0 HG LEU A 54 0.824 -6.208 0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.813 -8.144 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.192 -8.180 0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.438 -7.700 2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.160 -5.976 2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.402 -5.389 2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.515 -4.441 1.749 1.00 0.00 H new ATOM 784 N ARG A 55 4.538 -2.762 -0.314 1.00 0.00 N ATOM 785 CA ARG A 55 5.782 -2.221 -0.833 1.00 0.00 C ATOM 786 C ARG A 55 6.876 -2.289 0.234 1.00 0.00 C ATOM 787 O ARG A 55 6.588 -2.236 1.428 1.00 0.00 O ATOM 788 CB ARG A 55 5.606 -0.769 -1.282 1.00 0.00 C ATOM 789 CG ARG A 55 6.930 -0.183 -1.775 1.00 0.00 C ATOM 790 CD ARG A 55 6.691 0.923 -2.805 1.00 0.00 C ATOM 791 NE ARG A 55 6.897 0.396 -4.172 1.00 0.00 N ATOM 792 CZ ARG A 55 6.471 1.007 -5.286 1.00 0.00 C ATOM 793 NH1 ARG A 55 5.813 2.171 -5.201 1.00 0.00 N ATOM 794 NH2 ARG A 55 6.704 0.455 -6.484 1.00 0.00 N ATOM 0 H ARG A 55 4.200 -2.313 0.537 1.00 0.00 H new ATOM 0 HA ARG A 55 6.072 -2.823 -1.694 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.863 -0.718 -2.078 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.226 -0.172 -0.453 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.492 0.217 -0.931 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.538 -0.972 -2.218 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.677 1.311 -2.705 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.371 1.755 -2.621 1.00 0.00 H new ATOM 0 HE ARG A 55 7.395 -0.489 -4.273 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.637 2.592 -4.289 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.489 2.637 -6.049 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.206 -0.431 -6.549 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.380 0.920 -7.332 1.00 0.00 H new ATOM 808 N ASN A 56 8.110 -2.405 -0.236 1.00 0.00 N ATOM 809 CA ASN A 56 9.249 -2.481 0.663 1.00 0.00 C ATOM 810 C ASN A 56 9.968 -1.131 0.683 1.00 0.00 C ATOM 811 O ASN A 56 10.290 -0.579 -0.368 1.00 0.00 O ATOM 812 CB ASN A 56 10.248 -3.542 0.197 1.00 0.00 C ATOM 813 CG ASN A 56 11.287 -3.830 1.283 1.00 0.00 C ATOM 814 OD1 ASN A 56 11.610 -2.991 2.108 1.00 0.00 O ATOM 815 ND2 ASN A 56 11.791 -5.060 1.236 1.00 0.00 N ATOM 0 H ASN A 56 8.346 -2.448 -1.227 1.00 0.00 H new ATOM 0 HA ASN A 56 8.880 -2.744 1.654 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.718 -4.460 -0.057 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.749 -3.202 -0.710 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.492 -5.350 1.917 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.476 -5.713 0.518 1.00 0.00 H new ATOM 822 N LYS A 57 10.199 -0.637 1.891 1.00 0.00 N ATOM 823 CA LYS A 57 10.874 0.638 2.061 1.00 0.00 C ATOM 824 C LYS A 57 12.328 0.390 2.468 1.00 0.00 C ATOM 825 O LYS A 57 13.161 1.291 2.387 1.00 0.00 O ATOM 826 CB LYS A 57 10.104 1.525 3.042 1.00 0.00 C ATOM 827 CG LYS A 57 8.629 1.626 2.648 1.00 0.00 C ATOM 828 CD LYS A 57 8.398 2.791 1.683 1.00 0.00 C ATOM 829 CE LYS A 57 8.408 2.310 0.231 1.00 0.00 C ATOM 830 NZ LYS A 57 9.246 3.200 -0.603 1.00 0.00 N ATOM 0 H LYS A 57 9.931 -1.097 2.761 1.00 0.00 H new ATOM 0 HA LYS A 57 10.895 1.187 1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.188 1.117 4.049 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.548 2.520 3.063 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.309 0.694 2.182 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.019 1.762 3.541 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.444 3.268 1.905 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.172 3.545 1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.790 1.290 0.182 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.390 2.289 -0.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.242 2.860 -1.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.865 4.167 -0.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.221 3.199 -0.240 1.00 0.00 H new ATOM 844 N SER A 58 12.588 -0.836 2.896 1.00 0.00 N ATOM 845 CA SER A 58 13.927 -1.214 3.315 1.00 0.00 C ATOM 846 C SER A 58 14.877 -1.191 2.116 1.00 0.00 C ATOM 847 O SER A 58 14.439 -1.053 0.975 1.00 0.00 O ATOM 848 CB SER A 58 13.930 -2.598 3.968 1.00 0.00 C ATOM 849 OG SER A 58 15.240 -3.001 4.358 1.00 0.00 O ATOM 0 H SER A 58 11.894 -1.581 2.962 1.00 0.00 H new ATOM 0 HA SER A 58 14.270 -0.492 4.056 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.278 -2.588 4.842 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.518 -3.328 3.272 1.00 0.00 H new ATOM 0 HG SER A 58 15.412 -3.911 4.036 1.00 0.00 H new ATOM 855 N ASN A 59 16.160 -1.328 2.415 1.00 0.00 N ATOM 856 CA ASN A 59 17.176 -1.324 1.376 1.00 0.00 C ATOM 857 C ASN A 59 17.611 -2.762 1.089 1.00 0.00 C ATOM 858 O ASN A 59 18.081 -3.065 -0.007 1.00 0.00 O ATOM 859 CB ASN A 59 18.411 -0.536 1.816 1.00 0.00 C ATOM 860 CG ASN A 59 19.312 -1.385 2.715 1.00 0.00 C ATOM 861 OD1 ASN A 59 20.314 -1.936 2.290 1.00 0.00 O ATOM 862 ND2 ASN A 59 18.901 -1.459 3.977 1.00 0.00 N ATOM 0 H ASN A 59 16.520 -1.443 3.363 1.00 0.00 H new ATOM 0 HA ASN A 59 16.748 -0.858 0.488 1.00 0.00 H new ATOM 0 HB2 ASN A 59 18.970 -0.210 0.939 1.00 0.00 H new ATOM 0 HB3 ASN A 59 18.102 0.363 2.350 1.00 0.00 H new ATOM 0 HD21 ASN A 59 19.434 -2.002 4.656 1.00 0.00 H new ATOM 0 HD22 ASN A 59 18.052 -0.973 4.266 1.00 0.00 H new ATOM 869 N GLU A 60 17.438 -3.611 2.092 1.00 0.00 N ATOM 870 CA GLU A 60 17.806 -5.010 1.961 1.00 0.00 C ATOM 871 C GLU A 60 16.567 -5.861 1.675 1.00 0.00 C ATOM 872 O GLU A 60 15.520 -5.663 2.288 1.00 0.00 O ATOM 873 CB GLU A 60 18.535 -5.505 3.212 1.00 0.00 C ATOM 874 CG GLU A 60 20.052 -5.410 3.037 1.00 0.00 C ATOM 875 CD GLU A 60 20.526 -6.294 1.881 1.00 0.00 C ATOM 876 OE1 GLU A 60 20.544 -7.527 2.080 1.00 0.00 O ATOM 877 OE2 GLU A 60 20.861 -5.715 0.825 1.00 0.00 O ATOM 0 H GLU A 60 17.048 -3.356 2.999 1.00 0.00 H new ATOM 0 HA GLU A 60 18.491 -5.108 1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.227 -4.914 4.074 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.253 -6.538 3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 60 20.336 -4.375 2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 60 20.548 -5.714 3.959 1.00 0.00 H new ATOM 884 N ASP A 61 16.728 -6.789 0.743 1.00 0.00 N ATOM 885 CA ASP A 61 15.635 -7.670 0.369 1.00 0.00 C ATOM 886 C ASP A 61 14.958 -8.202 1.634 1.00 0.00 C ATOM 887 O ASP A 61 15.631 -8.549 2.603 1.00 0.00 O ATOM 888 CB ASP A 61 16.145 -8.869 -0.434 1.00 0.00 C ATOM 889 CG ASP A 61 17.268 -9.665 0.235 1.00 0.00 C ATOM 890 OD1 ASP A 61 16.953 -10.377 1.213 1.00 0.00 O ATOM 891 OD2 ASP A 61 18.415 -9.543 -0.247 1.00 0.00 O ATOM 0 H ASP A 61 17.598 -6.950 0.236 1.00 0.00 H new ATOM 0 HA ASP A 61 14.935 -7.099 -0.240 1.00 0.00 H new ATOM 0 HB2 ASP A 61 15.308 -9.541 -0.626 1.00 0.00 H new ATOM 0 HB3 ASP A 61 16.498 -8.515 -1.402 1.00 0.00 H new ATOM 896 N GLN A 62 13.635 -8.248 1.583 1.00 0.00 N ATOM 897 CA GLN A 62 12.859 -8.731 2.713 1.00 0.00 C ATOM 898 C GLN A 62 12.348 -10.147 2.439 1.00 0.00 C ATOM 899 O GLN A 62 11.602 -10.368 1.487 1.00 0.00 O ATOM 900 CB GLN A 62 11.702 -7.782 3.029 1.00 0.00 C ATOM 901 CG GLN A 62 10.811 -8.353 4.134 1.00 0.00 C ATOM 902 CD GLN A 62 11.635 -8.708 5.373 1.00 0.00 C ATOM 903 OE1 GLN A 62 11.631 -10.004 5.672 1.00 0.00 O flip ATOM 904 NE2 GLN A 62 12.234 -7.862 6.016 1.00 0.00 N flip ATOM 0 H GLN A 62 13.081 -7.959 0.777 1.00 0.00 H new ATOM 0 HA GLN A 62 13.508 -8.763 3.588 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.095 -6.814 3.338 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.109 -7.613 2.130 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.043 -7.626 4.399 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.296 -9.241 3.768 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.195 -6.883 5.732 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.774 -8.133 6.838 1.00 0.00 H new ATOM 913 N SER A 63 12.771 -11.069 3.291 1.00 0.00 N ATOM 914 CA SER A 63 12.366 -12.458 3.153 1.00 0.00 C ATOM 915 C SER A 63 10.983 -12.664 3.775 1.00 0.00 C ATOM 916 O SER A 63 10.804 -12.470 4.976 1.00 0.00 O ATOM 917 CB SER A 63 13.385 -13.396 3.803 1.00 0.00 C ATOM 918 OG SER A 63 13.646 -13.044 5.158 1.00 0.00 O ATOM 0 H SER A 63 13.390 -10.882 4.080 1.00 0.00 H new ATOM 0 HA SER A 63 12.319 -12.697 2.090 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.014 -14.420 3.759 1.00 0.00 H new ATOM 0 HB3 SER A 63 14.315 -13.369 3.236 1.00 0.00 H new ATOM 0 HG SER A 63 12.860 -12.599 5.538 1.00 0.00 H new ATOM 924 N MET A 64 10.041 -13.054 2.929 1.00 0.00 N ATOM 925 CA MET A 64 8.680 -13.288 3.380 1.00 0.00 C ATOM 926 C MET A 64 8.319 -14.772 3.287 1.00 0.00 C ATOM 927 O MET A 64 7.241 -15.123 2.810 1.00 0.00 O ATOM 928 CB MET A 64 7.710 -12.472 2.523 1.00 0.00 C ATOM 929 CG MET A 64 8.219 -11.041 2.331 1.00 0.00 C ATOM 930 SD MET A 64 6.974 -10.055 1.517 1.00 0.00 S ATOM 931 CE MET A 64 5.558 -10.443 2.532 1.00 0.00 C ATOM 0 H MET A 64 10.194 -13.214 1.933 1.00 0.00 H new ATOM 0 HA MET A 64 8.605 -12.980 4.423 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.586 -12.951 1.552 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.729 -12.452 2.997 1.00 0.00 H new ATOM 0 HG2 MET A 64 8.468 -10.602 3.297 1.00 0.00 H new ATOM 0 HG3 MET A 64 9.134 -11.048 1.739 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.777 -9.702 2.365 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.182 -11.432 2.269 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.849 -10.433 3.582 1.00 0.00 H new ATOM 941 N GLY A 65 9.242 -15.603 3.750 1.00 0.00 N ATOM 942 CA GLY A 65 9.034 -17.041 3.724 1.00 0.00 C ATOM 943 C GLY A 65 8.293 -17.510 4.978 1.00 0.00 C ATOM 944 O GLY A 65 8.773 -18.385 5.696 1.00 0.00 O ATOM 0 H GLY A 65 10.135 -15.308 4.145 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.463 -17.314 2.836 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.995 -17.550 3.653 1.00 0.00 H new ATOM 948 N ASN A 66 7.135 -16.906 5.203 1.00 0.00 N ATOM 949 CA ASN A 66 6.323 -17.251 6.357 1.00 0.00 C ATOM 950 C ASN A 66 5.434 -16.061 6.724 1.00 0.00 C ATOM 951 O ASN A 66 4.389 -16.232 7.351 1.00 0.00 O ATOM 952 CB ASN A 66 7.199 -17.578 7.569 1.00 0.00 C ATOM 953 CG ASN A 66 7.182 -19.078 7.869 1.00 0.00 C ATOM 954 OD1 ASN A 66 7.157 -19.846 6.784 1.00 0.00 O flip ATOM 955 ND2 ASN A 66 7.190 -19.509 9.011 1.00 0.00 N flip ATOM 0 H ASN A 66 6.740 -16.180 4.605 1.00 0.00 H new ATOM 0 HA ASN A 66 5.724 -18.124 6.099 1.00 0.00 H new ATOM 0 HB2 ASN A 66 8.222 -17.253 7.381 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.844 -17.025 8.439 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.209 -18.863 9.800 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.177 -20.515 9.176 1.00 0.00 H new ATOM 962 N TRP A 67 5.880 -14.882 6.317 1.00 0.00 N ATOM 963 CA TRP A 67 5.138 -13.664 6.595 1.00 0.00 C ATOM 964 C TRP A 67 3.661 -13.934 6.301 1.00 0.00 C ATOM 965 O TRP A 67 3.323 -14.928 5.660 1.00 0.00 O ATOM 966 CB TRP A 67 5.701 -12.485 5.798 1.00 0.00 C ATOM 967 CG TRP A 67 7.012 -11.928 6.355 1.00 0.00 C ATOM 968 CD1 TRP A 67 8.060 -12.610 6.838 1.00 0.00 C ATOM 969 CD2 TRP A 67 7.375 -10.536 6.467 1.00 0.00 C ATOM 970 NE1 TRP A 67 9.068 -11.763 7.251 1.00 0.00 N ATOM 971 CE2 TRP A 67 8.638 -10.461 7.019 1.00 0.00 C ATOM 972 CE3 TRP A 67 6.661 -9.377 6.114 1.00 0.00 C ATOM 973 CZ2 TRP A 67 9.296 -9.251 7.266 1.00 0.00 C ATOM 974 CZ3 TRP A 67 7.332 -8.175 6.368 1.00 0.00 C ATOM 975 CH2 TRP A 67 8.603 -8.084 6.923 1.00 0.00 C ATOM 0 H TRP A 67 6.746 -14.744 5.797 1.00 0.00 H new ATOM 0 HA TRP A 67 5.239 -13.381 7.643 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.861 -12.800 4.767 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.959 -11.687 5.776 1.00 0.00 H new ATOM 0 HD1 TRP A 67 8.109 -13.687 6.897 1.00 0.00 H new ATOM 0 HE1 TRP A 67 9.964 -12.041 7.653 1.00 0.00 H new ATOM 0 HE3 TRP A 67 5.672 -9.412 5.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 10.285 -9.219 7.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 6.827 -7.254 6.115 1.00 0.00 H new ATOM 0 HH2 TRP A 67 9.054 -7.117 7.089 1.00 0.00 H new ATOM 986 N GLN A 68 2.820 -13.030 6.783 1.00 0.00 N ATOM 987 CA GLN A 68 1.387 -13.158 6.580 1.00 0.00 C ATOM 988 C GLN A 68 0.726 -11.778 6.579 1.00 0.00 C ATOM 989 O GLN A 68 1.357 -10.783 6.933 1.00 0.00 O ATOM 990 CB GLN A 68 0.762 -14.065 7.641 1.00 0.00 C ATOM 991 CG GLN A 68 1.813 -14.985 8.265 1.00 0.00 C ATOM 992 CD GLN A 68 1.180 -15.920 9.298 1.00 0.00 C ATOM 993 OE1 GLN A 68 -0.017 -16.157 9.308 1.00 0.00 O ATOM 994 NE2 GLN A 68 2.048 -16.437 10.163 1.00 0.00 N ATOM 0 H GLN A 68 3.104 -12.206 7.313 1.00 0.00 H new ATOM 0 HA GLN A 68 1.217 -13.621 5.608 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.299 -13.456 8.418 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.030 -14.664 7.191 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.296 -15.573 7.485 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.590 -14.386 8.740 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.037 -16.197 10.098 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.725 -17.074 10.891 1.00 0.00 H new ATOM 1003 N ILE A 69 -0.537 -11.762 6.178 1.00 0.00 N ATOM 1004 CA ILE A 69 -1.290 -10.521 6.127 1.00 0.00 C ATOM 1005 C ILE A 69 -2.624 -10.708 6.853 1.00 0.00 C ATOM 1006 O ILE A 69 -3.382 -11.625 6.539 1.00 0.00 O ATOM 1007 CB ILE A 69 -1.439 -10.044 4.681 1.00 0.00 C ATOM 1008 CG1 ILE A 69 -0.125 -10.204 3.913 1.00 0.00 C ATOM 1009 CG2 ILE A 69 -1.962 -8.607 4.629 1.00 0.00 C ATOM 1010 CD1 ILE A 69 -0.261 -9.684 2.480 1.00 0.00 C ATOM 0 H ILE A 69 -1.057 -12.589 5.885 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.752 -9.728 6.647 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.179 -10.674 4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.669 -9.662 4.427 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.165 -11.255 3.897 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.059 -8.292 3.590 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.936 -8.556 5.116 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.264 -7.947 5.144 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.687 -9.809 1.956 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.039 -10.245 1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.527 -8.627 2.500 1.00 0.00 H new ATOM 1022 N ARG A 70 -2.869 -9.826 7.810 1.00 0.00 N ATOM 1023 CA ARG A 70 -4.098 -9.883 8.583 1.00 0.00 C ATOM 1024 C ARG A 70 -5.108 -8.864 8.050 1.00 0.00 C ATOM 1025 O ARG A 70 -4.752 -7.722 7.764 1.00 0.00 O ATOM 1026 CB ARG A 70 -3.832 -9.600 10.063 1.00 0.00 C ATOM 1027 CG ARG A 70 -3.956 -10.877 10.896 1.00 0.00 C ATOM 1028 CD ARG A 70 -3.495 -10.639 12.336 1.00 0.00 C ATOM 1029 NE ARG A 70 -4.497 -11.176 13.284 1.00 0.00 N ATOM 1030 CZ ARG A 70 -4.674 -12.481 13.529 1.00 0.00 C ATOM 1031 NH1 ARG A 70 -3.918 -13.391 12.899 1.00 0.00 N ATOM 1032 NH2 ARG A 70 -5.607 -12.877 14.406 1.00 0.00 N ATOM 0 H ARG A 70 -2.237 -9.068 8.068 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.505 -10.889 8.485 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.834 -9.179 10.183 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.538 -8.854 10.427 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.991 -11.218 10.893 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.358 -11.669 10.445 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.531 -11.120 12.502 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.353 -9.572 12.510 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.089 -10.511 13.782 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.207 -13.090 12.232 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.054 -14.384 13.086 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.182 -12.185 14.886 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.742 -13.871 14.593 1.00 0.00 H new ATOM 1046 N ARG A 71 -6.349 -9.315 7.932 1.00 0.00 N ATOM 1047 CA ARG A 71 -7.413 -8.457 7.439 1.00 0.00 C ATOM 1048 C ARG A 71 -8.662 -8.606 8.309 1.00 0.00 C ATOM 1049 O ARG A 71 -9.376 -9.603 8.210 1.00 0.00 O ATOM 1050 CB ARG A 71 -7.766 -8.797 5.989 1.00 0.00 C ATOM 1051 CG ARG A 71 -9.054 -8.092 5.559 1.00 0.00 C ATOM 1052 CD ARG A 71 -8.876 -6.572 5.567 1.00 0.00 C ATOM 1053 NE ARG A 71 -8.668 -6.079 4.187 1.00 0.00 N ATOM 1054 CZ ARG A 71 -8.812 -4.800 3.817 1.00 0.00 C ATOM 1055 NH1 ARG A 71 -9.164 -3.876 4.721 1.00 0.00 N ATOM 1056 NH2 ARG A 71 -8.603 -4.444 2.542 1.00 0.00 N ATOM 0 H ARG A 71 -6.641 -10.263 8.169 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.057 -7.428 7.483 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.948 -8.500 5.333 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.885 -9.875 5.883 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.338 -8.423 4.560 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.867 -8.370 6.230 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.755 -6.097 6.003 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.025 -6.301 6.191 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.398 -6.756 3.473 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.322 -4.147 5.692 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.274 -2.902 4.439 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.334 -5.147 1.854 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.713 -3.470 2.260 1.00 0.00 H new ATOM 1070 N GLN A 72 -8.887 -7.601 9.143 1.00 0.00 N ATOM 1071 CA GLN A 72 -10.037 -7.608 10.030 1.00 0.00 C ATOM 1072 C GLN A 72 -11.119 -6.664 9.503 1.00 0.00 C ATOM 1073 O GLN A 72 -10.814 -5.586 8.995 1.00 0.00 O ATOM 1074 CB GLN A 72 -9.631 -7.235 11.457 1.00 0.00 C ATOM 1075 CG GLN A 72 -10.240 -8.203 12.472 1.00 0.00 C ATOM 1076 CD GLN A 72 -11.721 -8.450 12.175 1.00 0.00 C ATOM 1077 OE1 GLN A 72 -12.086 -9.264 11.343 1.00 0.00 O ATOM 1078 NE2 GLN A 72 -12.550 -7.703 12.898 1.00 0.00 N ATOM 0 H GLN A 72 -8.292 -6.776 9.223 1.00 0.00 H new ATOM 0 HA GLN A 72 -10.445 -8.618 10.056 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.545 -7.247 11.544 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.957 -6.219 11.678 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -9.698 -9.149 12.448 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.130 -7.798 13.478 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.178 -7.040 13.578 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.558 -7.793 12.773 1.00 0.00 H new ATOM 1087 N ASN A 73 -12.362 -7.103 9.643 1.00 0.00 N ATOM 1088 CA ASN A 73 -13.491 -6.310 9.188 1.00 0.00 C ATOM 1089 C ASN A 73 -14.584 -6.326 10.258 1.00 0.00 C ATOM 1090 O ASN A 73 -14.899 -7.377 10.814 1.00 0.00 O ATOM 1091 CB ASN A 73 -14.083 -6.884 7.899 1.00 0.00 C ATOM 1092 CG ASN A 73 -13.015 -7.617 7.084 1.00 0.00 C ATOM 1093 OD1 ASN A 73 -12.791 -8.807 7.233 1.00 0.00 O ATOM 1094 ND2 ASN A 73 -12.370 -6.842 6.216 1.00 0.00 N ATOM 0 H ASN A 73 -12.611 -7.997 10.065 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.138 -5.296 9.003 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -14.895 -7.570 8.141 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -14.513 -6.079 7.302 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.639 -7.237 5.625 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -12.607 -5.853 6.142 1.00 0.00 H new ATOM 1146 N LEU A 78 -11.944 -12.835 10.741 1.00 0.00 N ATOM 1147 CA LEU A 78 -10.600 -12.337 10.506 1.00 0.00 C ATOM 1148 C LEU A 78 -9.815 -13.367 9.690 1.00 0.00 C ATOM 1149 O LEU A 78 -9.796 -14.549 10.029 1.00 0.00 O ATOM 1150 CB LEU A 78 -9.929 -11.960 11.829 1.00 0.00 C ATOM 1151 CG LEU A 78 -8.408 -11.802 11.788 1.00 0.00 C ATOM 1152 CD1 LEU A 78 -7.996 -10.714 10.794 1.00 0.00 C ATOM 1153 CD2 LEU A 78 -7.846 -11.541 13.188 1.00 0.00 C ATOM 0 HA LEU A 78 -10.631 -11.420 9.918 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.362 -11.023 12.179 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.176 -12.722 12.569 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.977 -12.739 11.437 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.910 -10.622 10.785 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.346 -10.981 9.797 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.438 -9.763 11.092 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.763 -11.433 13.131 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.282 -10.626 13.590 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.093 -12.378 13.841 1.00 0.00 H new ATOM 1165 N MET A 79 -9.186 -12.879 8.631 1.00 0.00 N ATOM 1166 CA MET A 79 -8.401 -13.742 7.764 1.00 0.00 C ATOM 1167 C MET A 79 -6.912 -13.404 7.857 1.00 0.00 C ATOM 1168 O MET A 79 -6.547 -12.262 8.128 1.00 0.00 O ATOM 1169 CB MET A 79 -8.873 -13.578 6.318 1.00 0.00 C ATOM 1170 CG MET A 79 -8.629 -12.152 5.820 1.00 0.00 C ATOM 1171 SD MET A 79 -8.795 -12.089 4.044 1.00 0.00 S ATOM 1172 CE MET A 79 -10.516 -12.531 3.877 1.00 0.00 C ATOM 0 H MET A 79 -9.204 -11.898 8.354 1.00 0.00 H new ATOM 0 HA MET A 79 -8.541 -14.774 8.086 1.00 0.00 H new ATOM 0 HB2 MET A 79 -8.347 -14.286 5.677 1.00 0.00 H new ATOM 0 HB3 MET A 79 -9.935 -13.814 6.249 1.00 0.00 H new ATOM 0 HG2 MET A 79 -9.340 -11.469 6.284 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.632 -11.821 6.112 1.00 0.00 H new ATOM 0 HE1 MET A 79 -10.845 -12.335 2.856 1.00 0.00 H new ATOM 0 HE2 MET A 79 -10.643 -13.590 4.102 1.00 0.00 H new ATOM 0 HE3 MET A 79 -11.113 -11.939 4.571 1.00 0.00 H new ATOM 1182 N THR A 80 -6.092 -14.419 7.626 1.00 0.00 N ATOM 1183 CA THR A 80 -4.651 -14.244 7.680 1.00 0.00 C ATOM 1184 C THR A 80 -3.990 -14.881 6.456 1.00 0.00 C ATOM 1185 O THR A 80 -3.750 -16.088 6.433 1.00 0.00 O ATOM 1186 CB THR A 80 -4.154 -14.820 9.008 1.00 0.00 C ATOM 1187 OG1 THR A 80 -4.913 -14.126 9.994 1.00 0.00 O ATOM 1188 CG2 THR A 80 -2.706 -14.431 9.310 1.00 0.00 C ATOM 0 H THR A 80 -6.399 -15.365 7.401 1.00 0.00 H new ATOM 0 HA THR A 80 -4.379 -13.189 7.645 1.00 0.00 H new ATOM 0 HB THR A 80 -4.241 -15.906 8.987 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.904 -14.635 10.832 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.404 -14.865 10.263 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.056 -14.804 8.519 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.625 -13.345 9.364 1.00 0.00 H new ATOM 1196 N TYR A 81 -3.713 -14.042 5.469 1.00 0.00 N ATOM 1197 CA TYR A 81 -3.085 -14.508 4.245 1.00 0.00 C ATOM 1198 C TYR A 81 -1.593 -14.770 4.460 1.00 0.00 C ATOM 1199 O TYR A 81 -0.781 -13.849 4.390 1.00 0.00 O ATOM 1200 CB TYR A 81 -3.250 -13.377 3.229 1.00 0.00 C ATOM 1201 CG TYR A 81 -2.476 -13.591 1.927 1.00 0.00 C ATOM 1202 CD1 TYR A 81 -2.958 -14.464 0.973 1.00 0.00 C ATOM 1203 CD2 TYR A 81 -1.295 -12.912 1.706 1.00 0.00 C ATOM 1204 CE1 TYR A 81 -2.230 -14.666 -0.253 1.00 0.00 C ATOM 1205 CE2 TYR A 81 -0.566 -13.114 0.481 1.00 0.00 C ATOM 1206 CZ TYR A 81 -1.069 -13.981 -0.438 1.00 0.00 C ATOM 1207 OH TYR A 81 -0.381 -14.172 -1.596 1.00 0.00 O ATOM 0 H TYR A 81 -3.912 -13.042 5.492 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.541 -15.440 3.911 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -4.309 -13.264 2.996 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.922 -12.443 3.685 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -3.882 -14.996 1.146 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.917 -12.229 2.452 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.597 -15.345 -1.008 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.359 -12.589 0.296 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.008 -14.393 -2.316 1.00 0.00 H new ATOM 1217 N ARG A 82 -1.277 -16.031 4.717 1.00 0.00 N ATOM 1218 CA ARG A 82 0.103 -16.426 4.943 1.00 0.00 C ATOM 1219 C ARG A 82 0.836 -16.578 3.609 1.00 0.00 C ATOM 1220 O ARG A 82 0.360 -17.269 2.710 1.00 0.00 O ATOM 1221 CB ARG A 82 0.179 -17.747 5.712 1.00 0.00 C ATOM 1222 CG ARG A 82 1.624 -18.082 6.084 1.00 0.00 C ATOM 1223 CD ARG A 82 1.694 -18.765 7.451 1.00 0.00 C ATOM 1224 NE ARG A 82 3.035 -19.358 7.653 1.00 0.00 N ATOM 1225 CZ ARG A 82 3.305 -20.318 8.548 1.00 0.00 C ATOM 1226 NH1 ARG A 82 2.329 -20.800 9.329 1.00 0.00 N ATOM 1227 NH2 ARG A 82 4.552 -20.797 8.661 1.00 0.00 N ATOM 0 H ARG A 82 -1.953 -16.793 4.774 1.00 0.00 H new ATOM 0 HA ARG A 82 0.579 -15.645 5.537 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.427 -17.681 6.616 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.240 -18.550 5.105 1.00 0.00 H new ATOM 0 HG2 ARG A 82 2.057 -18.734 5.325 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.220 -17.170 6.098 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.485 -18.042 8.239 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.931 -19.540 7.519 1.00 0.00 H new ATOM 0 HE ARG A 82 3.802 -19.014 7.075 1.00 0.00 H new ATOM 0 HH11 ARG A 82 1.380 -20.436 9.242 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.535 -21.531 10.010 1.00 0.00 H new ATOM 0 HH21 ARG A 82 5.295 -20.431 8.066 1.00 0.00 H new ATOM 0 HH22 ARG A 82 4.758 -21.528 9.342 1.00 0.00 H new ATOM 1241 N PHE A 83 1.983 -15.920 3.523 1.00 0.00 N ATOM 1242 CA PHE A 83 2.788 -15.973 2.314 1.00 0.00 C ATOM 1243 C PHE A 83 3.536 -17.304 2.211 1.00 0.00 C ATOM 1244 O PHE A 83 3.619 -18.050 3.185 1.00 0.00 O ATOM 1245 CB PHE A 83 3.806 -14.835 2.404 1.00 0.00 C ATOM 1246 CG PHE A 83 3.297 -13.500 1.857 1.00 0.00 C ATOM 1247 CD1 PHE A 83 3.160 -13.323 0.515 1.00 0.00 C ATOM 1248 CD2 PHE A 83 2.982 -12.490 2.712 1.00 0.00 C ATOM 1249 CE1 PHE A 83 2.688 -12.084 0.007 1.00 0.00 C ATOM 1250 CE2 PHE A 83 2.510 -11.251 2.204 1.00 0.00 C ATOM 1251 CZ PHE A 83 2.373 -11.074 0.862 1.00 0.00 C ATOM 0 H PHE A 83 2.374 -15.347 4.271 1.00 0.00 H new ATOM 0 HA PHE A 83 2.148 -15.878 1.437 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.096 -14.702 3.446 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.705 -15.121 1.857 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.410 -14.125 -0.164 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.091 -12.631 3.777 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.579 -11.943 -1.058 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.260 -10.449 2.883 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.014 -10.132 0.476 1.00 0.00 H new ATOM 1261 N PRO A 84 4.074 -17.567 0.990 1.00 0.00 N ATOM 1262 CA PRO A 84 4.812 -18.795 0.747 1.00 0.00 C ATOM 1263 C PRO A 84 6.201 -18.735 1.385 1.00 0.00 C ATOM 1264 O PRO A 84 6.812 -17.670 1.452 1.00 0.00 O ATOM 1265 CB PRO A 84 4.859 -18.932 -0.766 1.00 0.00 C ATOM 1266 CG PRO A 84 4.555 -17.550 -1.320 1.00 0.00 C ATOM 1267 CD PRO A 84 3.995 -16.706 -0.187 1.00 0.00 C ATOM 0 HA PRO A 84 4.339 -19.667 1.198 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.838 -19.278 -1.096 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.128 -19.662 -1.115 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.458 -17.094 -1.725 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.837 -17.616 -2.138 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.574 -15.793 -0.049 1.00 0.00 H new ATOM 0 HD3 PRO A 84 2.967 -16.404 -0.389 1.00 0.00 H new ATOM 1275 N PRO A 85 6.672 -19.923 1.850 1.00 0.00 N ATOM 1276 CA PRO A 85 7.978 -20.016 2.480 1.00 0.00 C ATOM 1277 C PRO A 85 9.096 -19.941 1.439 1.00 0.00 C ATOM 1278 O PRO A 85 10.204 -20.421 1.676 1.00 0.00 O ATOM 1279 CB PRO A 85 7.957 -21.335 3.235 1.00 0.00 C ATOM 1280 CG PRO A 85 6.825 -22.146 2.626 1.00 0.00 C ATOM 1281 CD PRO A 85 5.976 -21.205 1.787 1.00 0.00 C ATOM 0 HA PRO A 85 8.178 -19.187 3.159 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.909 -21.857 3.136 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.792 -21.173 4.300 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.222 -22.953 2.010 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.223 -22.608 3.408 1.00 0.00 H new ATOM 0 HD2 PRO A 85 5.890 -21.559 0.760 1.00 0.00 H new ATOM 0 HD3 PRO A 85 4.963 -21.126 2.183 1.00 0.00 H new ATOM 1289 N LYS A 86 8.768 -19.335 0.308 1.00 0.00 N ATOM 1290 CA LYS A 86 9.731 -19.190 -0.771 1.00 0.00 C ATOM 1291 C LYS A 86 9.547 -17.823 -1.433 1.00 0.00 C ATOM 1292 O LYS A 86 9.807 -17.668 -2.625 1.00 0.00 O ATOM 1293 CB LYS A 86 9.624 -20.365 -1.745 1.00 0.00 C ATOM 1294 CG LYS A 86 10.191 -21.644 -1.126 1.00 0.00 C ATOM 1295 CD LYS A 86 9.095 -22.442 -0.417 1.00 0.00 C ATOM 1296 CE LYS A 86 8.789 -23.740 -1.167 1.00 0.00 C ATOM 1297 NZ LYS A 86 7.345 -24.056 -1.088 1.00 0.00 N ATOM 0 H LYS A 86 7.848 -18.938 0.115 1.00 0.00 H new ATOM 0 HA LYS A 86 10.748 -19.221 -0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.581 -20.521 -2.019 1.00 0.00 H new ATOM 0 HB3 LYS A 86 10.163 -20.131 -2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.647 -22.257 -1.903 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.979 -21.391 -0.416 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.408 -22.672 0.601 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.190 -21.838 -0.344 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.090 -23.644 -2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 86 9.370 -24.558 -0.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.154 -24.940 -1.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.068 -24.168 -0.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.796 -23.282 -1.515 1.00 0.00 H new ATOM 1311 N PHE A 87 9.101 -16.868 -0.631 1.00 0.00 N ATOM 1312 CA PHE A 87 8.880 -15.519 -1.125 1.00 0.00 C ATOM 1313 C PHE A 87 9.862 -14.534 -0.488 1.00 0.00 C ATOM 1314 O PHE A 87 10.310 -14.740 0.639 1.00 0.00 O ATOM 1315 CB PHE A 87 7.454 -15.127 -0.730 1.00 0.00 C ATOM 1316 CG PHE A 87 6.830 -14.060 -1.632 1.00 0.00 C ATOM 1317 CD1 PHE A 87 6.209 -14.424 -2.786 1.00 0.00 C ATOM 1318 CD2 PHE A 87 6.897 -12.748 -1.281 1.00 0.00 C ATOM 1319 CE1 PHE A 87 5.630 -13.434 -3.623 1.00 0.00 C ATOM 1320 CE2 PHE A 87 6.318 -11.758 -2.118 1.00 0.00 C ATOM 1321 CZ PHE A 87 5.697 -12.122 -3.272 1.00 0.00 C ATOM 0 H PHE A 87 8.887 -17.001 0.357 1.00 0.00 H new ATOM 0 HA PHE A 87 9.026 -15.489 -2.205 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.825 -16.017 -0.749 1.00 0.00 H new ATOM 0 HB3 PHE A 87 7.460 -14.762 0.297 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.156 -15.466 -3.066 1.00 0.00 H new ATOM 0 HD2 PHE A 87 7.391 -12.459 -0.365 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.136 -13.723 -4.539 1.00 0.00 H new ATOM 0 HE2 PHE A 87 6.371 -10.716 -1.838 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.257 -11.369 -3.909 1.00 0.00 H new ATOM 1331 N THR A 88 10.168 -13.485 -1.237 1.00 0.00 N ATOM 1332 CA THR A 88 11.088 -12.467 -0.760 1.00 0.00 C ATOM 1333 C THR A 88 10.818 -11.133 -1.458 1.00 0.00 C ATOM 1334 O THR A 88 11.028 -11.005 -2.663 1.00 0.00 O ATOM 1335 CB THR A 88 12.513 -12.984 -0.968 1.00 0.00 C ATOM 1336 OG1 THR A 88 12.789 -13.729 0.215 1.00 0.00 O ATOM 1337 CG2 THR A 88 13.552 -11.860 -0.951 1.00 0.00 C ATOM 0 H THR A 88 9.795 -13.318 -2.171 1.00 0.00 H new ATOM 0 HA THR A 88 10.948 -12.275 0.304 1.00 0.00 H new ATOM 0 HB THR A 88 12.570 -13.517 -1.917 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.950 -14.070 0.590 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.546 -12.281 -1.103 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.333 -11.150 -1.748 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.518 -11.348 0.010 1.00 0.00 H new ATOM 1345 N LEU A 89 10.355 -10.173 -0.670 1.00 0.00 N ATOM 1346 CA LEU A 89 10.053 -8.853 -1.198 1.00 0.00 C ATOM 1347 C LEU A 89 11.323 -8.000 -1.183 1.00 0.00 C ATOM 1348 O LEU A 89 11.660 -7.400 -0.164 1.00 0.00 O ATOM 1349 CB LEU A 89 8.882 -8.227 -0.437 1.00 0.00 C ATOM 1350 CG LEU A 89 8.467 -6.824 -0.882 1.00 0.00 C ATOM 1351 CD1 LEU A 89 7.848 -6.853 -2.281 1.00 0.00 C ATOM 1352 CD2 LEU A 89 7.535 -6.176 0.144 1.00 0.00 C ATOM 0 H LEU A 89 10.182 -10.283 0.329 1.00 0.00 H new ATOM 0 HA LEU A 89 9.728 -8.923 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.019 -8.887 -0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.141 -8.189 0.621 1.00 0.00 H new ATOM 0 HG LEU A 89 9.363 -6.205 -0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.562 -5.843 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.575 -7.244 -2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.966 -7.493 -2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.255 -5.179 -0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.639 -6.786 0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.046 -6.101 1.104 1.00 0.00 H new ATOM 1364 N LYS A 90 11.993 -7.974 -2.326 1.00 0.00 N ATOM 1365 CA LYS A 90 13.218 -7.205 -2.457 1.00 0.00 C ATOM 1366 C LYS A 90 12.991 -5.795 -1.908 1.00 0.00 C ATOM 1367 O LYS A 90 11.851 -5.375 -1.718 1.00 0.00 O ATOM 1368 CB LYS A 90 13.713 -7.229 -3.905 1.00 0.00 C ATOM 1369 CG LYS A 90 14.205 -8.624 -4.293 1.00 0.00 C ATOM 1370 CD LYS A 90 15.460 -8.541 -5.165 1.00 0.00 C ATOM 1371 CE LYS A 90 16.664 -8.067 -4.348 1.00 0.00 C ATOM 1372 NZ LYS A 90 17.718 -7.534 -5.240 1.00 0.00 N ATOM 0 H LYS A 90 11.710 -8.473 -3.169 1.00 0.00 H new ATOM 0 HA LYS A 90 14.015 -7.654 -1.864 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.908 -6.925 -4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.520 -6.507 -4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.421 -9.201 -3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.419 -9.154 -4.831 1.00 0.00 H new ATOM 0 HD2 LYS A 90 15.672 -9.519 -5.598 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.286 -7.856 -5.995 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.352 -7.296 -3.643 1.00 0.00 H new ATOM 0 HE3 LYS A 90 17.061 -8.895 -3.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 18.528 -7.217 -4.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 18.027 -8.279 -5.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.341 -6.731 -5.782 1.00 0.00 H new ATOM 1386 N ALA A 91 14.095 -5.102 -1.669 1.00 0.00 N ATOM 1387 CA ALA A 91 14.031 -3.749 -1.146 1.00 0.00 C ATOM 1388 C ALA A 91 13.647 -2.788 -2.273 1.00 0.00 C ATOM 1389 O ALA A 91 14.201 -2.859 -3.369 1.00 0.00 O ATOM 1390 CB ALA A 91 15.371 -3.386 -0.502 1.00 0.00 C ATOM 0 H ALA A 91 15.039 -5.453 -1.828 1.00 0.00 H new ATOM 0 HA ALA A 91 13.266 -3.673 -0.373 1.00 0.00 H new ATOM 0 HB1 ALA A 91 15.323 -2.370 -0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.583 -4.080 0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.163 -3.449 -1.249 1.00 0.00 H new ATOM 1396 N GLY A 92 12.702 -1.913 -1.965 1.00 0.00 N ATOM 1397 CA GLY A 92 12.237 -0.939 -2.939 1.00 0.00 C ATOM 1398 C GLY A 92 11.279 -1.583 -3.943 1.00 0.00 C ATOM 1399 O GLY A 92 10.871 -0.946 -4.913 1.00 0.00 O ATOM 0 H GLY A 92 12.245 -1.857 -1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.735 -0.118 -2.427 1.00 0.00 H new ATOM 0 HA3 GLY A 92 13.089 -0.512 -3.467 1.00 0.00 H new ATOM 1403 N GLN A 93 10.948 -2.838 -3.676 1.00 0.00 N ATOM 1404 CA GLN A 93 10.046 -3.575 -4.545 1.00 0.00 C ATOM 1405 C GLN A 93 8.613 -3.488 -4.018 1.00 0.00 C ATOM 1406 O GLN A 93 8.378 -2.964 -2.930 1.00 0.00 O ATOM 1407 CB GLN A 93 10.491 -5.032 -4.688 1.00 0.00 C ATOM 1408 CG GLN A 93 11.191 -5.263 -6.028 1.00 0.00 C ATOM 1409 CD GLN A 93 12.183 -4.137 -6.329 1.00 0.00 C ATOM 1410 OE1 GLN A 93 11.834 -3.090 -6.849 1.00 0.00 O ATOM 1411 NE2 GLN A 93 13.436 -4.411 -5.975 1.00 0.00 N ATOM 0 H GLN A 93 11.288 -3.363 -2.870 1.00 0.00 H new ATOM 0 HA GLN A 93 10.076 -3.122 -5.536 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.165 -5.292 -3.872 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.626 -5.690 -4.608 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.715 -6.219 -6.009 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.449 -5.322 -6.825 1.00 0.00 H new ATOM 0 HE21 GLN A 93 13.660 -5.308 -5.544 1.00 0.00 H new ATOM 0 HE22 GLN A 93 14.173 -3.724 -6.135 1.00 0.00 H new ATOM 1420 N VAL A 94 7.691 -4.010 -4.814 1.00 0.00 N ATOM 1421 CA VAL A 94 6.286 -3.998 -4.441 1.00 0.00 C ATOM 1422 C VAL A 94 5.635 -5.311 -4.882 1.00 0.00 C ATOM 1423 O VAL A 94 6.144 -5.993 -5.770 1.00 0.00 O ATOM 1424 CB VAL A 94 5.600 -2.763 -5.027 1.00 0.00 C ATOM 1425 CG1 VAL A 94 5.704 -2.751 -6.554 1.00 0.00 C ATOM 1426 CG2 VAL A 94 4.140 -2.682 -4.577 1.00 0.00 C ATOM 0 H VAL A 94 7.889 -4.444 -5.716 1.00 0.00 H new ATOM 0 HA VAL A 94 6.178 -3.930 -3.359 1.00 0.00 H new ATOM 0 HB VAL A 94 6.117 -1.881 -4.649 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.208 -1.863 -6.945 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.754 -2.740 -6.847 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.224 -3.642 -6.958 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.675 -1.795 -5.007 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.606 -3.571 -4.913 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.097 -2.622 -3.489 1.00 0.00 H new ATOM 1436 N VAL A 95 4.519 -5.625 -4.241 1.00 0.00 N ATOM 1437 CA VAL A 95 3.792 -6.843 -4.557 1.00 0.00 C ATOM 1438 C VAL A 95 2.290 -6.587 -4.418 1.00 0.00 C ATOM 1439 O VAL A 95 1.870 -5.763 -3.607 1.00 0.00 O ATOM 1440 CB VAL A 95 4.287 -7.991 -3.674 1.00 0.00 C ATOM 1441 CG1 VAL A 95 4.008 -7.706 -2.197 1.00 0.00 C ATOM 1442 CG2 VAL A 95 3.664 -9.320 -4.103 1.00 0.00 C ATOM 0 H VAL A 95 4.100 -5.057 -3.504 1.00 0.00 H new ATOM 0 HA VAL A 95 3.976 -7.141 -5.589 1.00 0.00 H new ATOM 0 HB VAL A 95 5.367 -8.071 -3.802 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.369 -8.537 -1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.520 -6.791 -1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.935 -7.587 -2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.032 -10.119 -3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.579 -9.257 -4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.936 -9.532 -5.137 1.00 0.00 H new ATOM 1452 N THR A 96 1.523 -7.308 -5.221 1.00 0.00 N ATOM 1453 CA THR A 96 0.076 -7.169 -5.198 1.00 0.00 C ATOM 1454 C THR A 96 -0.584 -8.518 -4.905 1.00 0.00 C ATOM 1455 O THR A 96 -0.255 -9.523 -5.532 1.00 0.00 O ATOM 1456 CB THR A 96 -0.361 -6.554 -6.529 1.00 0.00 C ATOM 1457 OG1 THR A 96 0.428 -5.373 -6.642 1.00 0.00 O ATOM 1458 CG2 THR A 96 -1.801 -6.038 -6.491 1.00 0.00 C ATOM 0 H THR A 96 1.875 -7.991 -5.892 1.00 0.00 H new ATOM 0 HA THR A 96 -0.245 -6.505 -4.396 1.00 0.00 H new ATOM 0 HB THR A 96 -0.262 -7.296 -7.321 1.00 0.00 H new ATOM 0 HG1 THR A 96 0.209 -4.912 -7.479 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.060 -5.612 -7.460 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.477 -6.862 -6.264 1.00 0.00 H new ATOM 0 HG23 THR A 96 -1.893 -5.272 -5.721 1.00 0.00 H new ATOM 1466 N ILE A 97 -1.505 -8.495 -3.953 1.00 0.00 N ATOM 1467 CA ILE A 97 -2.215 -9.703 -3.569 1.00 0.00 C ATOM 1468 C ILE A 97 -3.704 -9.535 -3.880 1.00 0.00 C ATOM 1469 O ILE A 97 -4.499 -9.246 -2.988 1.00 0.00 O ATOM 1470 CB ILE A 97 -1.928 -10.052 -2.108 1.00 0.00 C ATOM 1471 CG1 ILE A 97 -0.422 -10.121 -1.846 1.00 0.00 C ATOM 1472 CG2 ILE A 97 -2.639 -11.345 -1.703 1.00 0.00 C ATOM 1473 CD1 ILE A 97 0.142 -8.736 -1.521 1.00 0.00 C ATOM 0 H ILE A 97 -1.776 -7.659 -3.436 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.861 -10.554 -4.151 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.328 -9.254 -1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.224 -10.802 -1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.085 -10.528 -2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.418 -11.570 -0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.715 -11.223 -1.828 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.291 -12.164 -2.332 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.214 -8.813 -1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.036 -8.064 -2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.350 -8.343 -0.631 1.00 0.00 H new ATOM 1485 N TRP A 98 -4.036 -9.724 -5.149 1.00 0.00 N ATOM 1486 CA TRP A 98 -5.415 -9.597 -5.589 1.00 0.00 C ATOM 1487 C TRP A 98 -6.232 -10.695 -4.905 1.00 0.00 C ATOM 1488 O TRP A 98 -5.675 -11.684 -4.430 1.00 0.00 O ATOM 1489 CB TRP A 98 -5.510 -9.645 -7.115 1.00 0.00 C ATOM 1490 CG TRP A 98 -4.593 -8.648 -7.827 1.00 0.00 C ATOM 1491 CD1 TRP A 98 -3.305 -8.805 -8.162 1.00 0.00 C ATOM 1492 CD2 TRP A 98 -4.949 -7.325 -8.282 1.00 0.00 C ATOM 1493 NE1 TRP A 98 -2.807 -7.685 -8.796 1.00 0.00 N ATOM 1494 CE2 TRP A 98 -3.838 -6.757 -8.871 1.00 0.00 C ATOM 1495 CE3 TRP A 98 -6.169 -6.632 -8.197 1.00 0.00 C ATOM 1496 CZ2 TRP A 98 -3.837 -5.470 -9.422 1.00 0.00 C ATOM 1497 CZ3 TRP A 98 -6.152 -5.347 -8.752 1.00 0.00 C ATOM 1498 CH2 TRP A 98 -5.042 -4.760 -9.349 1.00 0.00 C ATOM 0 H TRP A 98 -3.374 -9.964 -5.886 1.00 0.00 H new ATOM 0 HA TRP A 98 -5.824 -8.628 -5.302 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -5.266 -10.652 -7.453 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -6.541 -9.450 -7.411 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -2.729 -9.696 -7.961 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -1.857 -7.561 -9.145 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -7.050 -7.057 -7.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -2.954 -5.047 -9.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -7.065 -4.771 -8.714 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -5.109 -3.761 -9.755 1.00 0.00 H new ATOM 1509 N ALA A 99 -7.540 -10.483 -4.875 1.00 0.00 N ATOM 1510 CA ALA A 99 -8.439 -11.442 -4.257 1.00 0.00 C ATOM 1511 C ALA A 99 -9.242 -12.157 -5.345 1.00 0.00 C ATOM 1512 O ALA A 99 -9.675 -11.534 -6.313 1.00 0.00 O ATOM 1513 CB ALA A 99 -9.337 -10.724 -3.247 1.00 0.00 C ATOM 0 H ALA A 99 -7.998 -9.661 -5.269 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.875 -12.199 -3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.011 -11.444 -2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.720 -10.258 -2.479 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -9.920 -9.958 -3.758 1.00 0.00 H new ATOM 1519 N SER A 100 -9.416 -13.456 -5.150 1.00 0.00 N ATOM 1520 CA SER A 100 -10.159 -14.263 -6.104 1.00 0.00 C ATOM 1521 C SER A 100 -11.326 -13.455 -6.676 1.00 0.00 C ATOM 1522 O SER A 100 -11.455 -13.320 -7.891 1.00 0.00 O ATOM 1523 CB SER A 100 -10.673 -15.549 -5.454 1.00 0.00 C ATOM 1524 OG SER A 100 -11.752 -16.123 -6.187 1.00 0.00 O ATOM 0 H SER A 100 -9.056 -13.970 -4.346 1.00 0.00 H new ATOM 0 HA SER A 100 -9.486 -14.541 -6.915 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.859 -16.270 -5.383 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.999 -15.336 -4.436 1.00 0.00 H new ATOM 0 HG SER A 100 -12.051 -16.943 -5.741 1.00 0.00 H new ATOM 1530 N GLY A 101 -12.145 -12.938 -5.772 1.00 0.00 N ATOM 1531 CA GLY A 101 -13.296 -12.146 -6.172 1.00 0.00 C ATOM 1532 C GLY A 101 -12.904 -11.090 -7.207 1.00 0.00 C ATOM 1533 O GLY A 101 -13.578 -10.931 -8.223 1.00 0.00 O ATOM 0 H GLY A 101 -12.035 -13.052 -4.764 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -14.064 -12.799 -6.587 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.729 -11.660 -5.298 1.00 0.00 H new ATOM 1537 N ALA A 102 -11.814 -10.396 -6.913 1.00 0.00 N ATOM 1538 CA ALA A 102 -11.323 -9.360 -7.805 1.00 0.00 C ATOM 1539 C ALA A 102 -11.303 -9.895 -9.239 1.00 0.00 C ATOM 1540 O ALA A 102 -11.935 -9.324 -10.127 1.00 0.00 O ATOM 1541 CB ALA A 102 -9.942 -8.895 -7.338 1.00 0.00 C ATOM 0 H ALA A 102 -11.257 -10.531 -6.069 1.00 0.00 H new ATOM 0 HA ALA A 102 -11.983 -8.493 -7.785 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.574 -8.118 -8.008 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.015 -8.497 -6.326 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.252 -9.738 -7.347 1.00 0.00 H new ATOM 1547 N GLY A 103 -10.571 -10.984 -9.420 1.00 0.00 N ATOM 1548 CA GLY A 103 -10.461 -11.602 -10.730 1.00 0.00 C ATOM 1549 C GLY A 103 -9.236 -11.079 -11.482 1.00 0.00 C ATOM 1550 O GLY A 103 -9.186 -11.135 -12.710 1.00 0.00 O ATOM 0 H GLY A 103 -10.048 -11.454 -8.681 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.390 -12.684 -10.621 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.362 -11.398 -11.309 1.00 0.00 H new ATOM 1554 N ALA A 104 -8.278 -10.581 -10.714 1.00 0.00 N ATOM 1555 CA ALA A 104 -7.056 -10.048 -11.293 1.00 0.00 C ATOM 1556 C ALA A 104 -6.361 -11.143 -12.104 1.00 0.00 C ATOM 1557 O ALA A 104 -6.988 -12.127 -12.491 1.00 0.00 O ATOM 1558 CB ALA A 104 -6.166 -9.491 -10.180 1.00 0.00 C ATOM 0 H ALA A 104 -8.323 -10.535 -9.696 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.279 -9.227 -11.974 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.249 -9.091 -10.613 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.695 -8.697 -9.654 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.918 -10.288 -9.479 1.00 0.00 H new ATOM 1564 N THR A 105 -5.073 -10.934 -12.336 1.00 0.00 N ATOM 1565 CA THR A 105 -4.285 -11.892 -13.094 1.00 0.00 C ATOM 1566 C THR A 105 -3.054 -12.321 -12.294 1.00 0.00 C ATOM 1567 O THR A 105 -2.185 -11.503 -11.997 1.00 0.00 O ATOM 1568 CB THR A 105 -3.942 -11.258 -14.444 1.00 0.00 C ATOM 1569 OG1 THR A 105 -4.920 -11.787 -15.334 1.00 0.00 O ATOM 1570 CG2 THR A 105 -2.613 -11.765 -15.007 1.00 0.00 C ATOM 0 H THR A 105 -4.556 -10.116 -12.013 1.00 0.00 H new ATOM 0 HA THR A 105 -4.847 -12.807 -13.281 1.00 0.00 H new ATOM 0 HB THR A 105 -3.901 -10.174 -14.336 1.00 0.00 H new ATOM 0 HG1 THR A 105 -4.773 -11.426 -16.233 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.417 -11.284 -15.965 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.809 -11.528 -14.311 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.665 -12.845 -15.147 1.00 0.00 H new ATOM 1578 N HIS A 106 -3.018 -13.605 -11.967 1.00 0.00 N ATOM 1579 CA HIS A 106 -1.908 -14.153 -11.207 1.00 0.00 C ATOM 1580 C HIS A 106 -0.600 -13.914 -11.964 1.00 0.00 C ATOM 1581 O HIS A 106 -0.372 -14.504 -13.019 1.00 0.00 O ATOM 1582 CB HIS A 106 -2.145 -15.630 -10.887 1.00 0.00 C ATOM 1583 CG HIS A 106 -1.347 -16.140 -9.711 1.00 0.00 C ATOM 1584 ND1 HIS A 106 -1.213 -15.429 -8.531 1.00 0.00 N ATOM 1585 CD2 HIS A 106 -0.643 -17.297 -9.546 1.00 0.00 C ATOM 1586 CE1 HIS A 106 -0.460 -16.135 -7.701 1.00 0.00 C ATOM 1587 NE2 HIS A 106 -0.108 -17.292 -8.332 1.00 0.00 N ATOM 0 H HIS A 106 -3.740 -14.281 -12.215 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.832 -13.641 -10.248 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -3.206 -15.782 -10.686 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -1.898 -16.226 -11.766 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -0.539 -18.083 -10.279 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -0.175 -15.845 -6.700 1.00 0.00 H new ATOM 0 HE2 HIS A 106 0.471 -18.032 -7.936 1.00 0.00 H new ATOM 1595 N SER A 107 0.225 -13.047 -11.396 1.00 0.00 N ATOM 1596 CA SER A 107 1.504 -12.722 -12.003 1.00 0.00 C ATOM 1597 C SER A 107 2.566 -12.533 -10.918 1.00 0.00 C ATOM 1598 O SER A 107 3.041 -11.420 -10.696 1.00 0.00 O ATOM 1599 CB SER A 107 1.399 -11.464 -12.868 1.00 0.00 C ATOM 1600 OG SER A 107 1.682 -11.733 -14.238 1.00 0.00 O ATOM 0 H SER A 107 0.032 -12.559 -10.521 1.00 0.00 H new ATOM 0 HA SER A 107 1.797 -13.551 -12.648 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.396 -11.046 -12.780 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.092 -10.709 -12.496 1.00 0.00 H new ATOM 0 HG SER A 107 1.603 -10.906 -14.757 1.00 0.00 H new ATOM 1606 N PRO A 108 2.917 -13.667 -10.254 1.00 0.00 N ATOM 1607 CA PRO A 108 3.914 -13.637 -9.198 1.00 0.00 C ATOM 1608 C PRO A 108 5.323 -13.499 -9.778 1.00 0.00 C ATOM 1609 O PRO A 108 5.516 -13.625 -10.986 1.00 0.00 O ATOM 1610 CB PRO A 108 3.712 -14.933 -8.429 1.00 0.00 C ATOM 1611 CG PRO A 108 2.929 -15.849 -9.356 1.00 0.00 C ATOM 1612 CD PRO A 108 2.376 -15.002 -10.490 1.00 0.00 C ATOM 0 HA PRO A 108 3.802 -12.777 -8.538 1.00 0.00 H new ATOM 0 HB2 PRO A 108 4.669 -15.378 -8.156 1.00 0.00 H new ATOM 0 HB3 PRO A 108 3.167 -14.756 -7.502 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.573 -16.637 -9.747 1.00 0.00 H new ATOM 0 HG3 PRO A 108 2.119 -16.338 -8.815 1.00 0.00 H new ATOM 0 HD2 PRO A 108 2.686 -15.389 -11.461 1.00 0.00 H new ATOM 0 HD3 PRO A 108 1.286 -14.994 -10.483 1.00 0.00 H new ATOM 1620 N PRO A 109 6.297 -13.236 -8.865 1.00 0.00 N ATOM 1621 CA PRO A 109 5.983 -13.103 -7.453 1.00 0.00 C ATOM 1622 C PRO A 109 5.304 -11.762 -7.166 1.00 0.00 C ATOM 1623 O PRO A 109 4.785 -11.546 -6.072 1.00 0.00 O ATOM 1624 CB PRO A 109 7.315 -13.259 -6.737 1.00 0.00 C ATOM 1625 CG PRO A 109 8.385 -13.010 -7.788 1.00 0.00 C ATOM 1626 CD PRO A 109 7.718 -13.059 -9.153 1.00 0.00 C ATOM 0 HA PRO A 109 5.270 -13.852 -7.109 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.402 -12.548 -5.915 1.00 0.00 H new ATOM 0 HB3 PRO A 109 7.413 -14.256 -6.308 1.00 0.00 H new ATOM 0 HG2 PRO A 109 8.858 -12.041 -7.629 1.00 0.00 H new ATOM 0 HG3 PRO A 109 9.170 -13.763 -7.719 1.00 0.00 H new ATOM 0 HD2 PRO A 109 7.897 -12.142 -9.714 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.106 -13.882 -9.754 1.00 0.00 H new ATOM 1634 N THR A 110 5.330 -10.896 -8.168 1.00 0.00 N ATOM 1635 CA THR A 110 4.723 -9.582 -8.038 1.00 0.00 C ATOM 1636 C THR A 110 3.229 -9.712 -7.734 1.00 0.00 C ATOM 1637 O THR A 110 2.818 -9.630 -6.578 1.00 0.00 O ATOM 1638 CB THR A 110 5.017 -8.797 -9.317 1.00 0.00 C ATOM 1639 OG1 THR A 110 4.596 -9.667 -10.364 1.00 0.00 O ATOM 1640 CG2 THR A 110 6.516 -8.617 -9.563 1.00 0.00 C ATOM 0 H THR A 110 5.762 -11.078 -9.074 1.00 0.00 H new ATOM 0 HA THR A 110 5.147 -9.032 -7.198 1.00 0.00 H new ATOM 0 HB THR A 110 4.539 -7.819 -9.259 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.279 -10.511 -9.980 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.669 -8.053 -10.483 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.959 -8.075 -8.728 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.990 -9.594 -9.653 1.00 0.00 H new ATOM 1648 N ASP A 111 2.458 -9.913 -8.793 1.00 0.00 N ATOM 1649 CA ASP A 111 1.019 -10.055 -8.653 1.00 0.00 C ATOM 1650 C ASP A 111 0.704 -11.409 -8.014 1.00 0.00 C ATOM 1651 O ASP A 111 1.424 -12.383 -8.227 1.00 0.00 O ATOM 1652 CB ASP A 111 0.326 -10.004 -10.017 1.00 0.00 C ATOM 1653 CG ASP A 111 0.216 -8.608 -10.634 1.00 0.00 C ATOM 1654 OD1 ASP A 111 0.699 -7.659 -9.980 1.00 0.00 O ATOM 1655 OD2 ASP A 111 -0.349 -8.522 -11.746 1.00 0.00 O ATOM 0 H ASP A 111 2.803 -9.981 -9.751 1.00 0.00 H new ATOM 0 HA ASP A 111 0.658 -9.235 -8.033 1.00 0.00 H new ATOM 0 HB2 ASP A 111 0.869 -10.649 -10.708 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -0.676 -10.420 -9.914 1.00 0.00 H new ATOM 1660 N LEU A 112 -0.373 -11.427 -7.243 1.00 0.00 N ATOM 1661 CA LEU A 112 -0.793 -12.645 -6.571 1.00 0.00 C ATOM 1662 C LEU A 112 -2.320 -12.678 -6.490 1.00 0.00 C ATOM 1663 O LEU A 112 -2.959 -11.639 -6.328 1.00 0.00 O ATOM 1664 CB LEU A 112 -0.102 -12.773 -5.212 1.00 0.00 C ATOM 1665 CG LEU A 112 1.398 -13.074 -5.248 1.00 0.00 C ATOM 1666 CD1 LEU A 112 2.055 -12.746 -3.906 1.00 0.00 C ATOM 1667 CD2 LEU A 112 1.657 -14.520 -5.674 1.00 0.00 C ATOM 0 H LEU A 112 -0.968 -10.617 -7.069 1.00 0.00 H new ATOM 0 HA LEU A 112 -0.485 -13.520 -7.143 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.253 -11.845 -4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.598 -13.563 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 112 1.858 -12.430 -5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.121 -12.969 -3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.916 -11.688 -3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.597 -13.347 -3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.731 -14.707 -5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.182 -15.199 -4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.244 -14.686 -6.669 1.00 0.00 H new ATOM 1679 N VAL A 113 -2.861 -13.882 -6.605 1.00 0.00 N ATOM 1680 CA VAL A 113 -4.302 -14.063 -6.547 1.00 0.00 C ATOM 1681 C VAL A 113 -4.648 -14.985 -5.375 1.00 0.00 C ATOM 1682 O VAL A 113 -4.262 -16.153 -5.365 1.00 0.00 O ATOM 1683 CB VAL A 113 -4.819 -14.583 -7.890 1.00 0.00 C ATOM 1684 CG1 VAL A 113 -6.256 -15.092 -7.764 1.00 0.00 C ATOM 1685 CG2 VAL A 113 -4.710 -13.508 -8.972 1.00 0.00 C ATOM 0 H VAL A 113 -2.328 -14.741 -6.738 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.800 -13.110 -6.370 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.192 -15.423 -8.189 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.599 -15.456 -8.732 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -6.292 -15.904 -7.038 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.902 -14.279 -7.432 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.084 -13.903 -9.917 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.301 -12.639 -8.683 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -3.667 -13.214 -9.089 1.00 0.00 H new ATOM 1695 N TRP A 114 -5.372 -14.425 -4.417 1.00 0.00 N ATOM 1696 CA TRP A 114 -5.775 -15.182 -3.244 1.00 0.00 C ATOM 1697 C TRP A 114 -7.018 -15.996 -3.610 1.00 0.00 C ATOM 1698 O TRP A 114 -8.119 -15.453 -3.686 1.00 0.00 O ATOM 1699 CB TRP A 114 -5.997 -14.258 -2.045 1.00 0.00 C ATOM 1700 CG TRP A 114 -6.078 -14.988 -0.703 1.00 0.00 C ATOM 1701 CD1 TRP A 114 -6.009 -16.307 -0.476 1.00 0.00 C ATOM 1702 CD2 TRP A 114 -6.247 -14.383 0.596 1.00 0.00 C ATOM 1703 NE1 TRP A 114 -6.121 -16.595 0.869 1.00 0.00 N ATOM 1704 CE2 TRP A 114 -6.270 -15.388 1.541 1.00 0.00 C ATOM 1705 CE3 TRP A 114 -6.376 -13.031 0.960 1.00 0.00 C ATOM 1706 CZ2 TRP A 114 -6.421 -15.148 2.912 1.00 0.00 C ATOM 1707 CZ3 TRP A 114 -6.526 -12.808 2.334 1.00 0.00 C ATOM 1708 CH2 TRP A 114 -6.551 -13.808 3.299 1.00 0.00 C ATOM 0 H TRP A 114 -5.690 -13.456 -4.429 1.00 0.00 H new ATOM 0 HA TRP A 114 -4.986 -15.870 -2.939 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.185 -13.532 -2.004 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -6.919 -13.697 -2.198 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -5.882 -17.051 -1.248 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -6.099 -17.523 1.292 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -6.361 -12.229 0.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -6.436 -15.953 3.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -6.630 -11.786 2.668 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -6.670 -13.553 4.342 1.00 0.00 H new ATOM 1719 N LYS A 115 -6.799 -17.284 -3.827 1.00 0.00 N ATOM 1720 CA LYS A 115 -7.888 -18.178 -4.184 1.00 0.00 C ATOM 1721 C LYS A 115 -8.612 -18.625 -2.912 1.00 0.00 C ATOM 1722 O LYS A 115 -9.841 -18.595 -2.850 1.00 0.00 O ATOM 1723 CB LYS A 115 -7.371 -19.339 -5.037 1.00 0.00 C ATOM 1724 CG LYS A 115 -6.887 -18.843 -6.401 1.00 0.00 C ATOM 1725 CD LYS A 115 -6.018 -19.897 -7.090 1.00 0.00 C ATOM 1726 CE LYS A 115 -6.044 -19.720 -8.610 1.00 0.00 C ATOM 1727 NZ LYS A 115 -4.771 -20.184 -9.207 1.00 0.00 N ATOM 0 H LYS A 115 -5.884 -17.730 -3.763 1.00 0.00 H new ATOM 0 HA LYS A 115 -8.620 -17.659 -4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.555 -19.841 -4.518 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -8.163 -20.076 -5.174 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -7.744 -18.605 -7.031 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -6.318 -17.922 -6.276 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -4.992 -19.821 -6.729 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -6.374 -20.894 -6.830 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -6.877 -20.281 -9.033 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -6.208 -18.671 -8.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -4.805 -20.057 -10.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -3.982 -19.631 -8.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -4.631 -21.191 -8.986 1.00 0.00 H new ATOM 1741 N ALA A 116 -7.821 -19.028 -1.929 1.00 0.00 N ATOM 1742 CA ALA A 116 -8.372 -19.480 -0.663 1.00 0.00 C ATOM 1743 C ALA A 116 -9.621 -18.661 -0.334 1.00 0.00 C ATOM 1744 O ALA A 116 -10.676 -19.222 -0.041 1.00 0.00 O ATOM 1745 CB ALA A 116 -7.302 -19.374 0.426 1.00 0.00 C ATOM 0 H ALA A 116 -6.803 -19.051 -1.984 1.00 0.00 H new ATOM 0 HA ALA A 116 -8.671 -20.526 -0.726 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -7.715 -19.713 1.376 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -6.448 -19.996 0.159 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -6.980 -18.337 0.520 1.00 0.00 H new ATOM 1751 N GLN A 117 -9.462 -17.347 -0.392 1.00 0.00 N ATOM 1752 CA GLN A 117 -10.564 -16.445 -0.104 1.00 0.00 C ATOM 1753 C GLN A 117 -11.209 -15.962 -1.405 1.00 0.00 C ATOM 1754 O GLN A 117 -10.735 -16.285 -2.493 1.00 0.00 O ATOM 1755 CB GLN A 117 -10.097 -15.264 0.748 1.00 0.00 C ATOM 1756 CG GLN A 117 -9.060 -14.424 0.000 1.00 0.00 C ATOM 1757 CD GLN A 117 -9.723 -13.571 -1.083 1.00 0.00 C ATOM 1758 OE1 GLN A 117 -10.092 -12.362 -0.669 1.00 0.00 O flip ATOM 1759 NE2 GLN A 117 -9.889 -13.983 -2.219 1.00 0.00 N flip ATOM 0 H GLN A 117 -8.586 -16.885 -0.634 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.314 -16.990 0.469 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -10.952 -14.642 1.013 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -9.669 -15.631 1.681 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -8.533 -13.780 0.704 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -8.315 -15.078 -0.453 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.582 -14.922 -2.471 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -10.335 -13.388 -2.917 1.00 0.00 H new ATOM 1768 N ASN A 118 -12.279 -15.197 -1.249 1.00 0.00 N ATOM 1769 CA ASN A 118 -12.993 -14.666 -2.398 1.00 0.00 C ATOM 1770 C ASN A 118 -12.908 -13.139 -2.384 1.00 0.00 C ATOM 1771 O ASN A 118 -12.910 -12.504 -3.438 1.00 0.00 O ATOM 1772 CB ASN A 118 -14.471 -15.058 -2.356 1.00 0.00 C ATOM 1773 CG ASN A 118 -14.653 -16.449 -1.745 1.00 0.00 C ATOM 1774 OD1 ASN A 118 -14.521 -16.481 -0.422 1.00 0.00 O flip ATOM 1775 ND2 ASN A 118 -14.896 -17.429 -2.430 1.00 0.00 N flip ATOM 0 H ASN A 118 -12.669 -14.932 -0.345 1.00 0.00 H new ATOM 0 HA ASN A 118 -12.536 -15.076 -3.299 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -15.029 -14.325 -1.773 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -14.883 -15.043 -3.365 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -14.985 -17.335 -3.442 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -15.010 -18.342 -1.991 1.00 0.00 H new ATOM 1782 N THR A 119 -12.836 -12.592 -1.180 1.00 0.00 N ATOM 1783 CA THR A 119 -12.751 -11.151 -1.015 1.00 0.00 C ATOM 1784 C THR A 119 -12.034 -10.805 0.291 1.00 0.00 C ATOM 1785 O THR A 119 -12.402 -11.301 1.355 1.00 0.00 O ATOM 1786 CB THR A 119 -14.168 -10.581 -1.101 1.00 0.00 C ATOM 1787 OG1 THR A 119 -13.980 -9.171 -1.018 1.00 0.00 O ATOM 1788 CG2 THR A 119 -15.010 -10.918 0.131 1.00 0.00 C ATOM 0 H THR A 119 -12.835 -13.121 -0.308 1.00 0.00 H new ATOM 0 HA THR A 119 -12.154 -10.697 -1.806 1.00 0.00 H new ATOM 0 HB THR A 119 -14.661 -10.966 -1.994 1.00 0.00 H new ATOM 0 HG1 THR A 119 -14.809 -8.748 -0.710 1.00 0.00 H new ATOM 0 HG21 THR A 119 -16.006 -10.490 0.019 1.00 0.00 H new ATOM 0 HG22 THR A 119 -15.089 -12.000 0.233 1.00 0.00 H new ATOM 0 HG23 THR A 119 -14.535 -10.504 1.021 1.00 0.00 H new ATOM 1796 N TRP A 120 -11.025 -9.956 0.168 1.00 0.00 N ATOM 1797 CA TRP A 120 -10.253 -9.537 1.326 1.00 0.00 C ATOM 1798 C TRP A 120 -11.232 -9.234 2.462 1.00 0.00 C ATOM 1799 O TRP A 120 -10.994 -9.610 3.609 1.00 0.00 O ATOM 1800 CB TRP A 120 -9.350 -8.351 0.984 1.00 0.00 C ATOM 1801 CG TRP A 120 -7.961 -8.751 0.482 1.00 0.00 C ATOM 1802 CD1 TRP A 120 -7.516 -8.779 -0.782 1.00 0.00 C ATOM 1803 CD2 TRP A 120 -6.846 -9.181 1.291 1.00 0.00 C ATOM 1804 NE1 TRP A 120 -6.202 -9.194 -0.847 1.00 0.00 N ATOM 1805 CE2 TRP A 120 -5.781 -9.447 0.454 1.00 0.00 C ATOM 1806 CE3 TRP A 120 -6.740 -9.341 2.684 1.00 0.00 C ATOM 1807 CZ2 TRP A 120 -4.535 -9.888 0.915 1.00 0.00 C ATOM 1808 CZ3 TRP A 120 -5.488 -9.783 3.129 1.00 0.00 C ATOM 1809 CH2 TRP A 120 -4.407 -10.055 2.299 1.00 0.00 C ATOM 0 H TRP A 120 -10.724 -9.546 -0.716 1.00 0.00 H new ATOM 0 HA TRP A 120 -9.580 -10.331 1.648 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -9.839 -7.743 0.223 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -9.239 -7.725 1.869 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -8.112 -8.510 -1.642 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -5.642 -9.296 -1.694 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -7.560 -9.139 3.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -3.717 -10.089 0.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -5.353 -9.922 4.191 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -3.472 -10.394 2.720 1.00 0.00 H new ATOM 1820 N GLY A 121 -12.314 -8.558 2.104 1.00 0.00 N ATOM 1821 CA GLY A 121 -13.330 -8.201 3.079 1.00 0.00 C ATOM 1822 C GLY A 121 -13.748 -6.737 2.925 1.00 0.00 C ATOM 1823 O GLY A 121 -12.941 -5.833 3.135 1.00 0.00 O ATOM 0 H GLY A 121 -12.509 -8.248 1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -14.200 -8.846 2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -12.948 -8.370 4.086 1.00 0.00 H new ATOM 1827 N CYS A 122 -15.007 -6.549 2.558 1.00 0.00 N ATOM 1828 CA CYS A 122 -15.541 -5.211 2.373 1.00 0.00 C ATOM 1829 C CYS A 122 -16.204 -4.773 3.681 1.00 0.00 C ATOM 1830 O CYS A 122 -16.202 -5.517 4.661 1.00 0.00 O ATOM 1831 CB CYS A 122 -16.511 -5.147 1.192 1.00 0.00 C ATOM 1832 SG CYS A 122 -15.961 -6.284 -0.132 1.00 0.00 S ATOM 0 H CYS A 122 -15.673 -7.302 2.384 1.00 0.00 H new ATOM 0 HA CYS A 122 -14.731 -4.524 2.130 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -17.515 -5.416 1.520 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -16.564 -4.128 0.809 1.00 0.00 H new ATOM 0 HG CYS A 122 -14.712 -6.054 -0.411 1.00 0.00 H new ATOM 1838 N GLY A 123 -16.754 -3.568 3.654 1.00 0.00 N ATOM 1839 CA GLY A 123 -17.419 -3.023 4.825 1.00 0.00 C ATOM 1840 C GLY A 123 -16.930 -1.604 5.122 1.00 0.00 C ATOM 1841 O GLY A 123 -15.820 -1.234 4.743 1.00 0.00 O ATOM 0 H GLY A 123 -16.753 -2.954 2.840 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -18.497 -3.014 4.664 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -17.231 -3.664 5.686 1.00 0.00 H new ATOM 1845 N SER A 124 -17.783 -0.847 5.797 1.00 0.00 N ATOM 1846 CA SER A 124 -17.452 0.523 6.150 1.00 0.00 C ATOM 1847 C SER A 124 -16.223 0.546 7.061 1.00 0.00 C ATOM 1848 O SER A 124 -15.329 1.371 6.882 1.00 0.00 O ATOM 1849 CB SER A 124 -18.633 1.217 6.832 1.00 0.00 C ATOM 1850 OG SER A 124 -18.938 0.633 8.095 1.00 0.00 O ATOM 0 H SER A 124 -18.703 -1.157 6.109 1.00 0.00 H new ATOM 0 HA SER A 124 -17.226 1.068 5.233 1.00 0.00 H new ATOM 0 HB2 SER A 124 -18.404 2.274 6.967 1.00 0.00 H new ATOM 0 HB3 SER A 124 -19.509 1.161 6.186 1.00 0.00 H new ATOM 0 HG SER A 124 -19.696 1.105 8.499 1.00 0.00 H new ATOM 1856 N SER A 125 -16.220 -0.368 8.020 1.00 0.00 N ATOM 1857 CA SER A 125 -15.116 -0.463 8.960 1.00 0.00 C ATOM 1858 C SER A 125 -14.168 -1.588 8.542 1.00 0.00 C ATOM 1859 O SER A 125 -14.558 -2.754 8.508 1.00 0.00 O ATOM 1860 CB SER A 125 -15.624 -0.698 10.384 1.00 0.00 C ATOM 1861 OG SER A 125 -14.557 -0.771 11.326 1.00 0.00 O ATOM 0 H SER A 125 -16.965 -1.050 8.166 1.00 0.00 H new ATOM 0 HA SER A 125 -14.574 0.483 8.948 1.00 0.00 H new ATOM 0 HB2 SER A 125 -16.301 0.108 10.665 1.00 0.00 H new ATOM 0 HB3 SER A 125 -16.200 -1.623 10.416 1.00 0.00 H new ATOM 0 HG SER A 125 -14.922 -0.920 12.223 1.00 0.00 H new ATOM 1867 N LEU A 126 -12.939 -1.200 8.233 1.00 0.00 N ATOM 1868 CA LEU A 126 -11.932 -2.161 7.818 1.00 0.00 C ATOM 1869 C LEU A 126 -10.618 -1.861 8.542 1.00 0.00 C ATOM 1870 O LEU A 126 -10.341 -0.712 8.882 1.00 0.00 O ATOM 1871 CB LEU A 126 -11.804 -2.180 6.294 1.00 0.00 C ATOM 1872 CG LEU A 126 -13.108 -2.021 5.510 1.00 0.00 C ATOM 1873 CD1 LEU A 126 -12.926 -1.060 4.333 1.00 0.00 C ATOM 1874 CD2 LEU A 126 -13.648 -3.380 5.062 1.00 0.00 C ATOM 0 H LEU A 126 -12.618 -0.232 8.262 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.230 -3.170 8.102 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -11.124 -1.381 5.996 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.339 -3.121 6.000 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.853 -1.581 6.173 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -13.868 -0.965 3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -12.621 -0.082 4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -12.160 -1.448 3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -14.575 -3.238 4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -12.914 -3.870 4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.840 -4.001 5.937 1.00 0.00 H new ATOM 1886 N ARG A 127 -9.843 -2.914 8.756 1.00 0.00 N ATOM 1887 CA ARG A 127 -8.564 -2.777 9.433 1.00 0.00 C ATOM 1888 C ARG A 127 -7.618 -3.904 9.012 1.00 0.00 C ATOM 1889 O ARG A 127 -7.764 -5.041 9.459 1.00 0.00 O ATOM 1890 CB ARG A 127 -8.739 -2.808 10.952 1.00 0.00 C ATOM 1891 CG ARG A 127 -7.415 -2.520 11.663 1.00 0.00 C ATOM 1892 CD ARG A 127 -7.656 -1.909 13.044 1.00 0.00 C ATOM 1893 NE ARG A 127 -6.731 -2.509 14.032 1.00 0.00 N ATOM 1894 CZ ARG A 127 -6.690 -3.816 14.324 1.00 0.00 C ATOM 1895 NH1 ARG A 127 -7.520 -4.667 13.707 1.00 0.00 N ATOM 1896 NH2 ARG A 127 -5.818 -4.271 15.234 1.00 0.00 N ATOM 0 H ARG A 127 -10.076 -3.866 8.473 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.139 -1.815 9.148 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -9.484 -2.071 11.251 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -9.116 -3.784 11.258 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -6.844 -3.443 11.764 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -6.815 -1.839 11.060 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -7.508 -0.830 13.004 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -8.688 -2.078 13.350 1.00 0.00 H new ATOM 0 HE ARG A 127 -6.085 -1.889 14.521 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -8.184 -4.320 13.014 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -7.488 -5.662 13.930 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -5.186 -3.623 15.704 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -5.786 -5.266 15.457 1.00 0.00 H new ATOM 1910 N THR A 128 -6.669 -3.549 8.158 1.00 0.00 N ATOM 1911 CA THR A 128 -5.699 -4.515 7.673 1.00 0.00 C ATOM 1912 C THR A 128 -4.415 -4.444 8.501 1.00 0.00 C ATOM 1913 O THR A 128 -4.188 -3.472 9.219 1.00 0.00 O ATOM 1914 CB THR A 128 -5.476 -4.253 6.182 1.00 0.00 C ATOM 1915 OG1 THR A 128 -6.692 -4.674 5.570 1.00 0.00 O ATOM 1916 CG2 THR A 128 -4.416 -5.176 5.577 1.00 0.00 C ATOM 0 H THR A 128 -6.552 -2.605 7.790 1.00 0.00 H new ATOM 0 HA THR A 128 -6.066 -5.535 7.787 1.00 0.00 H new ATOM 0 HB THR A 128 -5.179 -3.214 6.037 1.00 0.00 H new ATOM 0 HG1 THR A 128 -6.491 -5.273 4.821 1.00 0.00 H new ATOM 0 HG21 THR A 128 -4.297 -4.948 4.518 1.00 0.00 H new ATOM 0 HG22 THR A 128 -3.466 -5.025 6.090 1.00 0.00 H new ATOM 0 HG23 THR A 128 -4.729 -6.214 5.692 1.00 0.00 H new ATOM 1924 N ALA A 129 -3.607 -5.487 8.373 1.00 0.00 N ATOM 1925 CA ALA A 129 -2.352 -5.555 9.100 1.00 0.00 C ATOM 1926 C ALA A 129 -1.418 -6.548 8.406 1.00 0.00 C ATOM 1927 O ALA A 129 -1.863 -7.365 7.602 1.00 0.00 O ATOM 1928 CB ALA A 129 -2.625 -5.933 10.557 1.00 0.00 C ATOM 0 H ALA A 129 -3.798 -6.292 7.776 1.00 0.00 H new ATOM 0 HA ALA A 129 -1.858 -4.584 9.102 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -1.683 -5.984 11.102 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.268 -5.181 11.014 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -3.119 -6.904 10.595 1.00 0.00 H new ATOM 1934 N LEU A 130 -0.140 -6.444 8.742 1.00 0.00 N ATOM 1935 CA LEU A 130 0.860 -7.324 8.160 1.00 0.00 C ATOM 1936 C LEU A 130 1.646 -8.006 9.282 1.00 0.00 C ATOM 1937 O LEU A 130 2.077 -7.352 10.230 1.00 0.00 O ATOM 1938 CB LEU A 130 1.739 -6.555 7.172 1.00 0.00 C ATOM 1939 CG LEU A 130 2.970 -7.299 6.649 1.00 0.00 C ATOM 1940 CD1 LEU A 130 2.585 -8.283 5.542 1.00 0.00 C ATOM 1941 CD2 LEU A 130 4.052 -6.318 6.194 1.00 0.00 C ATOM 0 H LEU A 130 0.226 -5.765 9.409 1.00 0.00 H new ATOM 0 HA LEU A 130 0.383 -8.113 7.579 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.125 -6.265 6.319 1.00 0.00 H new ATOM 0 HB3 LEU A 130 2.072 -5.635 7.652 1.00 0.00 H new ATOM 0 HG LEU A 130 3.390 -7.883 7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.477 -8.799 5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.876 -9.012 5.934 1.00 0.00 H new ATOM 0 HD13 LEU A 130 2.127 -7.740 4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 130 4.915 -6.873 5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.660 -5.688 5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.353 -5.693 7.035 1.00 0.00 H new ATOM 1953 N ILE A 131 1.810 -9.313 9.135 1.00 0.00 N ATOM 1954 CA ILE A 131 2.537 -10.091 10.124 1.00 0.00 C ATOM 1955 C ILE A 131 3.790 -10.685 9.478 1.00 0.00 C ATOM 1956 O ILE A 131 3.788 -11.006 8.290 1.00 0.00 O ATOM 1957 CB ILE A 131 1.620 -11.136 10.763 1.00 0.00 C ATOM 1958 CG1 ILE A 131 0.312 -10.500 11.238 1.00 0.00 C ATOM 1959 CG2 ILE A 131 2.339 -11.879 11.891 1.00 0.00 C ATOM 1960 CD1 ILE A 131 0.582 -9.347 12.206 1.00 0.00 C ATOM 0 H ILE A 131 1.452 -9.852 8.347 1.00 0.00 H new ATOM 0 HA ILE A 131 2.871 -9.452 10.941 1.00 0.00 H new ATOM 0 HB ILE A 131 1.362 -11.875 10.004 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -0.251 -10.134 10.379 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -0.306 -11.253 11.727 1.00 0.00 H new ATOM 0 HG21 ILE A 131 1.665 -12.616 12.328 1.00 0.00 H new ATOM 0 HG22 ILE A 131 3.219 -12.383 11.491 1.00 0.00 H new ATOM 0 HG23 ILE A 131 2.646 -11.168 12.658 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -0.365 -8.913 12.528 1.00 0.00 H new ATOM 0 HD12 ILE A 131 1.124 -9.721 13.075 1.00 0.00 H new ATOM 0 HD13 ILE A 131 1.179 -8.585 11.706 1.00 0.00 H new ATOM 1972 N ASN A 132 4.831 -10.814 10.288 1.00 0.00 N ATOM 1973 CA ASN A 132 6.088 -11.364 9.810 1.00 0.00 C ATOM 1974 C ASN A 132 6.158 -12.850 10.168 1.00 0.00 C ATOM 1975 O ASN A 132 5.176 -13.428 10.631 1.00 0.00 O ATOM 1976 CB ASN A 132 7.280 -10.663 10.464 1.00 0.00 C ATOM 1977 CG ASN A 132 7.246 -10.829 11.985 1.00 0.00 C ATOM 1978 OD1 ASN A 132 7.556 -11.876 12.528 1.00 0.00 O ATOM 1979 ND2 ASN A 132 6.854 -9.739 12.639 1.00 0.00 N ATOM 0 H ASN A 132 4.829 -10.547 11.272 1.00 0.00 H new ATOM 0 HA ASN A 132 6.132 -11.218 8.731 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.209 -11.074 10.070 1.00 0.00 H new ATOM 0 HB3 ASN A 132 7.268 -9.603 10.210 1.00 0.00 H new ATOM 0 HD21 ASN A 132 6.799 -9.748 13.657 1.00 0.00 H new ATOM 0 HD22 ASN A 132 6.609 -8.895 12.122 1.00 0.00 H new ATOM 1986 N SER A 133 7.329 -13.426 9.940 1.00 0.00 N ATOM 1987 CA SER A 133 7.541 -14.833 10.232 1.00 0.00 C ATOM 1988 C SER A 133 6.884 -15.195 11.566 1.00 0.00 C ATOM 1989 O SER A 133 6.167 -16.190 11.660 1.00 0.00 O ATOM 1990 CB SER A 133 9.033 -15.171 10.266 1.00 0.00 C ATOM 1991 OG SER A 133 9.421 -15.749 11.510 1.00 0.00 O ATOM 0 H SER A 133 8.141 -12.943 9.556 1.00 0.00 H new ATOM 0 HA SER A 133 7.082 -15.420 9.436 1.00 0.00 H new ATOM 0 HB2 SER A 133 9.267 -15.862 9.456 1.00 0.00 H new ATOM 0 HB3 SER A 133 9.614 -14.266 10.090 1.00 0.00 H new ATOM 0 HG SER A 133 10.380 -15.952 11.492 1.00 0.00 H new ATOM 1997 N THR A 134 7.152 -14.367 12.565 1.00 0.00 N ATOM 1998 CA THR A 134 6.597 -14.587 13.889 1.00 0.00 C ATOM 1999 C THR A 134 5.238 -13.895 14.019 1.00 0.00 C ATOM 2000 O THR A 134 4.941 -12.958 13.279 1.00 0.00 O ATOM 2001 CB THR A 134 7.623 -14.108 14.918 1.00 0.00 C ATOM 2002 OG1 THR A 134 7.525 -12.687 14.872 1.00 0.00 O ATOM 2003 CG2 THR A 134 9.062 -14.397 14.487 1.00 0.00 C ATOM 0 H THR A 134 7.747 -13.542 12.484 1.00 0.00 H new ATOM 0 HA THR A 134 6.407 -15.645 14.067 1.00 0.00 H new ATOM 0 HB THR A 134 7.427 -14.589 15.876 1.00 0.00 H new ATOM 0 HG1 THR A 134 7.823 -12.367 13.995 1.00 0.00 H new ATOM 0 HG21 THR A 134 9.750 -14.037 15.252 1.00 0.00 H new ATOM 0 HG22 THR A 134 9.194 -15.471 14.356 1.00 0.00 H new ATOM 0 HG23 THR A 134 9.269 -13.889 13.545 1.00 0.00 H new ATOM 2011 N GLY A 135 4.450 -14.383 14.966 1.00 0.00 N ATOM 2012 CA GLY A 135 3.130 -13.823 15.202 1.00 0.00 C ATOM 2013 C GLY A 135 3.228 -12.391 15.733 1.00 0.00 C ATOM 2014 O GLY A 135 2.834 -12.117 16.865 1.00 0.00 O ATOM 0 H GLY A 135 4.700 -15.159 15.578 1.00 0.00 H new ATOM 0 HA2 GLY A 135 2.556 -13.832 14.275 1.00 0.00 H new ATOM 0 HA3 GLY A 135 2.590 -14.444 15.917 1.00 0.00 H new ATOM 2018 N GLU A 136 3.757 -11.517 14.890 1.00 0.00 N ATOM 2019 CA GLU A 136 3.913 -10.120 15.260 1.00 0.00 C ATOM 2020 C GLU A 136 3.668 -9.219 14.048 1.00 0.00 C ATOM 2021 O GLU A 136 4.121 -9.521 12.945 1.00 0.00 O ATOM 2022 CB GLU A 136 5.295 -9.864 15.865 1.00 0.00 C ATOM 2023 CG GLU A 136 5.675 -8.386 15.755 1.00 0.00 C ATOM 2024 CD GLU A 136 7.000 -8.107 16.469 1.00 0.00 C ATOM 2025 OE1 GLU A 136 6.991 -8.147 17.718 1.00 0.00 O ATOM 2026 OE2 GLU A 136 7.991 -7.858 15.748 1.00 0.00 O ATOM 0 H GLU A 136 4.083 -11.749 13.952 1.00 0.00 H new ATOM 0 HA GLU A 136 3.170 -9.881 16.021 1.00 0.00 H new ATOM 0 HB2 GLU A 136 5.300 -10.168 16.912 1.00 0.00 H new ATOM 0 HB3 GLU A 136 6.039 -10.474 15.353 1.00 0.00 H new ATOM 0 HG2 GLU A 136 5.757 -8.105 14.705 1.00 0.00 H new ATOM 0 HG3 GLU A 136 4.887 -7.771 16.189 1.00 0.00 H new ATOM 2033 N GLU A 137 2.953 -8.131 14.294 1.00 0.00 N ATOM 2034 CA GLU A 137 2.643 -7.185 13.237 1.00 0.00 C ATOM 2035 C GLU A 137 3.825 -6.240 13.007 1.00 0.00 C ATOM 2036 O GLU A 137 4.537 -5.891 13.947 1.00 0.00 O ATOM 2037 CB GLU A 137 1.369 -6.401 13.558 1.00 0.00 C ATOM 2038 CG GLU A 137 0.824 -5.704 12.310 1.00 0.00 C ATOM 2039 CD GLU A 137 0.051 -4.438 12.682 1.00 0.00 C ATOM 2040 OE1 GLU A 137 0.715 -3.479 13.131 1.00 0.00 O ATOM 2041 OE2 GLU A 137 -1.187 -4.457 12.509 1.00 0.00 O ATOM 0 H GLU A 137 2.580 -7.884 15.210 1.00 0.00 H new ATOM 0 HA GLU A 137 2.464 -7.743 12.318 1.00 0.00 H new ATOM 0 HB2 GLU A 137 0.614 -7.076 13.960 1.00 0.00 H new ATOM 0 HB3 GLU A 137 1.578 -5.661 14.330 1.00 0.00 H new ATOM 0 HG2 GLU A 137 1.647 -5.449 11.643 1.00 0.00 H new ATOM 0 HG3 GLU A 137 0.171 -6.386 11.764 1.00 0.00 H new ATOM 2048 N VAL A 138 3.997 -5.854 11.751 1.00 0.00 N ATOM 2049 CA VAL A 138 5.080 -4.957 11.385 1.00 0.00 C ATOM 2050 C VAL A 138 4.494 -3.647 10.855 1.00 0.00 C ATOM 2051 O VAL A 138 5.033 -2.572 11.114 1.00 0.00 O ATOM 2052 CB VAL A 138 6.013 -5.643 10.385 1.00 0.00 C ATOM 2053 CG1 VAL A 138 7.036 -6.524 11.106 1.00 0.00 C ATOM 2054 CG2 VAL A 138 5.217 -6.453 9.360 1.00 0.00 C ATOM 0 H VAL A 138 3.404 -6.146 10.974 1.00 0.00 H new ATOM 0 HA VAL A 138 5.685 -4.713 12.258 1.00 0.00 H new ATOM 0 HB VAL A 138 6.558 -4.867 9.848 1.00 0.00 H new ATOM 0 HG11 VAL A 138 7.687 -7.000 10.373 1.00 0.00 H new ATOM 0 HG12 VAL A 138 7.635 -5.910 11.779 1.00 0.00 H new ATOM 0 HG13 VAL A 138 6.516 -7.290 11.681 1.00 0.00 H new ATOM 0 HG21 VAL A 138 5.904 -6.930 8.661 1.00 0.00 H new ATOM 0 HG22 VAL A 138 4.633 -7.217 9.874 1.00 0.00 H new ATOM 0 HG23 VAL A 138 4.546 -5.790 8.814 1.00 0.00 H new ATOM 2064 N ALA A 139 3.399 -3.780 10.122 1.00 0.00 N ATOM 2065 CA ALA A 139 2.734 -2.620 9.552 1.00 0.00 C ATOM 2066 C ALA A 139 1.219 -2.812 9.639 1.00 0.00 C ATOM 2067 O ALA A 139 0.738 -3.938 9.753 1.00 0.00 O ATOM 2068 CB ALA A 139 3.214 -2.411 8.115 1.00 0.00 C ATOM 0 H ALA A 139 2.955 -4.673 9.909 1.00 0.00 H new ATOM 0 HA ALA A 139 2.985 -1.720 10.113 1.00 0.00 H new ATOM 0 HB1 ALA A 139 2.715 -1.541 7.688 1.00 0.00 H new ATOM 0 HB2 ALA A 139 4.292 -2.249 8.111 1.00 0.00 H new ATOM 0 HB3 ALA A 139 2.977 -3.293 7.520 1.00 0.00 H new ATOM 2074 N MET A 140 0.508 -1.695 9.583 1.00 0.00 N ATOM 2075 CA MET A 140 -0.943 -1.726 9.653 1.00 0.00 C ATOM 2076 C MET A 140 -1.561 -0.724 8.677 1.00 0.00 C ATOM 2077 O MET A 140 -0.949 0.294 8.356 1.00 0.00 O ATOM 2078 CB MET A 140 -1.391 -1.395 11.078 1.00 0.00 C ATOM 2079 CG MET A 140 -1.339 0.113 11.333 1.00 0.00 C ATOM 2080 SD MET A 140 -1.846 0.467 13.007 1.00 0.00 S ATOM 2081 CE MET A 140 -3.611 0.598 12.775 1.00 0.00 C ATOM 0 H MET A 140 0.910 -0.762 9.490 1.00 0.00 H new ATOM 0 HA MET A 140 -1.281 -2.725 9.379 1.00 0.00 H new ATOM 0 HB2 MET A 140 -2.406 -1.760 11.238 1.00 0.00 H new ATOM 0 HB3 MET A 140 -0.750 -1.911 11.793 1.00 0.00 H new ATOM 0 HG2 MET A 140 -0.328 0.484 11.164 1.00 0.00 H new ATOM 0 HG3 MET A 140 -1.990 0.632 10.630 1.00 0.00 H new ATOM 0 HE1 MET A 140 -4.088 0.818 13.730 1.00 0.00 H new ATOM 0 HE2 MET A 140 -3.827 1.399 12.068 1.00 0.00 H new ATOM 0 HE3 MET A 140 -3.998 -0.344 12.385 1.00 0.00 H new ATOM 2091 N ARG A 141 -2.766 -1.047 8.232 1.00 0.00 N ATOM 2092 CA ARG A 141 -3.474 -0.187 7.298 1.00 0.00 C ATOM 2093 C ARG A 141 -4.966 -0.153 7.635 1.00 0.00 C ATOM 2094 O ARG A 141 -5.754 -0.902 7.059 1.00 0.00 O ATOM 2095 CB ARG A 141 -3.294 -0.671 5.858 1.00 0.00 C ATOM 2096 CG ARG A 141 -4.139 0.159 4.891 1.00 0.00 C ATOM 2097 CD ARG A 141 -3.435 0.313 3.541 1.00 0.00 C ATOM 2098 NE ARG A 141 -2.425 1.392 3.617 1.00 0.00 N ATOM 2099 CZ ARG A 141 -2.723 2.697 3.672 1.00 0.00 C ATOM 2100 NH1 ARG A 141 -4.003 3.094 3.661 1.00 0.00 N ATOM 2101 NH2 ARG A 141 -1.741 3.607 3.740 1.00 0.00 N ATOM 0 H ARG A 141 -3.270 -1.892 8.500 1.00 0.00 H new ATOM 0 HA ARG A 141 -3.055 0.815 7.387 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -2.243 -0.605 5.577 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -3.578 -1.721 5.785 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -5.108 -0.319 4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -4.329 1.143 5.320 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -2.956 -0.626 3.262 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -4.165 0.541 2.765 1.00 0.00 H new ATOM 0 HE ARG A 141 -1.441 1.125 3.628 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -4.751 2.402 3.611 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -4.229 4.088 3.703 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -0.766 3.306 3.750 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -1.968 4.600 3.782 1.00 0.00 H new ATOM 2115 N LYS A 142 -5.311 0.724 8.567 1.00 0.00 N ATOM 2116 CA LYS A 142 -6.694 0.865 8.987 1.00 0.00 C ATOM 2117 C LYS A 142 -7.451 1.709 7.960 1.00 0.00 C ATOM 2118 O LYS A 142 -6.858 2.548 7.283 1.00 0.00 O ATOM 2119 CB LYS A 142 -6.768 1.418 10.412 1.00 0.00 C ATOM 2120 CG LYS A 142 -8.201 1.369 10.945 1.00 0.00 C ATOM 2121 CD LYS A 142 -8.285 1.978 12.347 1.00 0.00 C ATOM 2122 CE LYS A 142 -9.515 1.461 13.096 1.00 0.00 C ATOM 2123 NZ LYS A 142 -9.705 2.209 14.359 1.00 0.00 N ATOM 0 H LYS A 142 -4.656 1.344 9.043 1.00 0.00 H new ATOM 0 HA LYS A 142 -7.182 -0.109 9.022 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -6.113 0.840 11.065 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.406 2.446 10.426 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -8.863 1.910 10.269 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -8.548 0.336 10.972 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -7.383 1.733 12.908 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -8.330 3.065 12.273 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -10.400 1.564 12.469 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -9.398 0.399 13.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -10.544 1.846 14.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -8.867 2.089 14.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -9.838 3.219 14.148 1.00 0.00 H new ATOM 2137 N LEU A 143 -8.749 1.459 7.876 1.00 0.00 N ATOM 2138 CA LEU A 143 -9.593 2.185 6.943 1.00 0.00 C ATOM 2139 C LEU A 143 -11.047 2.114 7.414 1.00 0.00 C ATOM 2140 O LEU A 143 -11.619 1.030 7.511 1.00 0.00 O ATOM 2141 CB LEU A 143 -9.383 1.670 5.517 1.00 0.00 C ATOM 2142 CG LEU A 143 -8.652 2.617 4.563 1.00 0.00 C ATOM 2143 CD1 LEU A 143 -7.218 2.144 4.315 1.00 0.00 C ATOM 2144 CD2 LEU A 143 -9.432 2.791 3.258 1.00 0.00 C ATOM 0 H LEU A 143 -9.237 0.763 8.439 1.00 0.00 H new ATOM 0 HA LEU A 143 -9.316 3.239 6.921 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -8.825 0.735 5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -10.358 1.436 5.089 1.00 0.00 H new ATOM 0 HG LEU A 143 -8.591 3.598 5.034 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -6.720 2.834 3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -6.676 2.113 5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -7.235 1.147 3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -8.890 3.469 2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -9.545 1.823 2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -10.416 3.205 3.475 1.00 0.00 H new ATOM 2156 N VAL A 144 -11.602 3.284 7.695 1.00 0.00 N ATOM 2157 CA VAL A 144 -12.978 3.368 8.155 1.00 0.00 C ATOM 2158 C VAL A 144 -13.743 4.364 7.281 1.00 0.00 C ATOM 2159 O VAL A 144 -13.313 5.504 7.112 1.00 0.00 O ATOM 2160 CB VAL A 144 -13.013 3.727 9.642 1.00 0.00 C ATOM 2161 CG1 VAL A 144 -14.357 3.349 10.266 1.00 0.00 C ATOM 2162 CG2 VAL A 144 -11.854 3.066 10.392 1.00 0.00 C ATOM 0 H VAL A 144 -11.124 4.181 7.613 1.00 0.00 H new ATOM 0 HA VAL A 144 -13.473 2.402 8.057 1.00 0.00 H new ATOM 0 HB VAL A 144 -12.896 4.807 9.729 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -14.355 3.615 11.323 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -15.158 3.886 9.758 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -14.517 2.276 10.162 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -11.902 3.337 11.447 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -11.926 1.983 10.292 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -10.908 3.407 9.972 1.00 0.00 H new ATOM 2172 N ARG A 145 -14.863 3.898 6.749 1.00 0.00 N ATOM 2173 CA ARG A 145 -15.692 4.734 5.897 1.00 0.00 C ATOM 2174 C ARG A 145 -16.554 5.669 6.748 1.00 0.00 C ATOM 2175 O ARG A 145 -17.073 5.265 7.788 1.00 0.00 O ATOM 2176 CB ARG A 145 -16.600 3.884 5.006 1.00 0.00 C ATOM 2177 CG ARG A 145 -17.532 4.766 4.173 1.00 0.00 C ATOM 2178 CD ARG A 145 -18.693 3.949 3.601 1.00 0.00 C ATOM 2179 NE ARG A 145 -19.874 4.819 3.404 1.00 0.00 N ATOM 2180 CZ ARG A 145 -21.110 4.362 3.160 1.00 0.00 C ATOM 2181 NH1 ARG A 145 -21.334 3.043 3.081 1.00 0.00 N ATOM 2182 NH2 ARG A 145 -22.122 5.225 2.994 1.00 0.00 N ATOM 0 H ARG A 145 -15.216 2.952 6.891 1.00 0.00 H new ATOM 0 HA ARG A 145 -15.028 5.322 5.263 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -15.992 3.266 4.346 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -17.190 3.206 5.623 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -17.921 5.575 4.791 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -16.972 5.227 3.360 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -18.400 3.499 2.652 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -18.942 3.132 4.278 1.00 0.00 H new ATOM 0 HE ARG A 145 -19.739 5.829 3.457 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -20.564 2.386 3.207 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -22.275 2.696 2.895 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -21.951 6.229 3.053 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -23.063 4.878 2.808 1.00 0.00 H new