USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=29 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= -2.2! C(o=-1.4!,f=-6.6!) USER MOD Set 1.2: A 134 THR OG1 : rot -38:sc= 0.814 USER MOD Set 2.1: A 79 MET CE :methyl 180:sc=-0.000102 (180deg=-0.000102) USER MOD Set 2.2: A 117 GLN : amide:sc= -0.405 X(o=-0.41,f=-0.41) USER MOD Set 3.1: A 63 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 88 THR OG1 : rot 35:sc= -0.538 USER MOD Set 4.1: A 56 ASN : amide:sc= -1.44 K(o=-1.4,f=-10!) USER MOD Set 4.2: A 58 SER OG : rot 118:sc= 0.0453 USER MOD Single : A 33 HIS : no HD1:sc=-0.00396 X(o=-0.004,f=-0.13) USER MOD Single : A 36 THR OG1 : rot 110:sc= -0.0224 USER MOD Single : A 37 SER OG : rot 180:sc= -0.177 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -120:sc= -1.37 (180deg=-4.33!) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.802 F(o=-2,f=-0.8) USER MOD Single : A 62 GLN :FLIP amide:sc= -2.14 F(o=-4.9!,f=-2.1) USER MOD Single : A 64 MET CE :methyl 169:sc= -4.24! (180deg=-5.38!) USER MOD Single : A 66 ASN :FLIP amide:sc= -1.89 F(o=-3.5!,f=-1.9) USER MOD Single : A 68 GLN : amide:sc= -2.09! C(o=-2.1!,f=-5.1!) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.637 F(o=-1.3,f=-0.64) USER MOD Single : A 73 ASN : amide:sc= -6.78! C(o=-6.8!,f=-14!) USER MOD Single : A 80 THR OG1 : rot 150:sc= -0.546 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -154:sc= -0.141 (180deg=-0.833) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN :FLIP amide:sc= -0.409 F(o=-2,f=-0.41) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 24:sc= 0.0403 USER MOD Single : A 106 HIS : no HD1:sc= -5.13! C(o=-5.1!,f=-5.9!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -5:sc= 0.22 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 ASN :FLIP amide:sc= -0.171 F(o=-1.1,f=-0.17) USER MOD Single : A 119 THR OG1 : rot 56:sc= 0.932 USER MOD Single : A 122 CYS SG : rot 180:sc=-0.00718 USER MOD Single : A 124 SER OG : rot 180:sc= -0.199 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 130:sc= -1.28 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 140 MET CE :methyl 153:sc= -0.011 (180deg=-0.606) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 439 N HIS A 33 -6.065 5.097 8.483 1.00 0.00 N ATOM 440 CA HIS A 33 -5.194 5.117 9.646 1.00 0.00 C ATOM 441 C HIS A 33 -4.117 4.040 9.500 1.00 0.00 C ATOM 442 O HIS A 33 -4.183 3.000 10.152 1.00 0.00 O ATOM 443 CB HIS A 33 -6.006 4.974 10.935 1.00 0.00 C ATOM 444 CG HIS A 33 -6.583 6.273 11.445 1.00 0.00 C ATOM 445 ND1 HIS A 33 -5.794 7.346 11.823 1.00 0.00 N ATOM 446 CD2 HIS A 33 -7.877 6.660 11.635 1.00 0.00 C ATOM 447 CE1 HIS A 33 -6.589 8.328 12.222 1.00 0.00 C ATOM 448 NE2 HIS A 33 -7.879 7.901 12.105 1.00 0.00 N ATOM 0 HA HIS A 33 -4.688 6.080 9.709 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.820 4.270 10.763 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.369 4.543 11.708 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.752 6.058 11.437 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.271 9.297 12.578 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -8.709 8.446 12.340 1.00 0.00 H new ATOM 456 N ALA A 34 -3.151 4.328 8.640 1.00 0.00 N ATOM 457 CA ALA A 34 -2.062 3.397 8.401 1.00 0.00 C ATOM 458 C ALA A 34 -0.915 3.700 9.367 1.00 0.00 C ATOM 459 O ALA A 34 -0.837 4.797 9.918 1.00 0.00 O ATOM 460 CB ALA A 34 -1.628 3.484 6.936 1.00 0.00 C ATOM 0 H ALA A 34 -3.100 5.192 8.101 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.386 2.373 8.585 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.811 2.785 6.757 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.470 3.231 6.291 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.294 4.498 6.715 1.00 0.00 H new ATOM 466 N ARG A 35 -0.054 2.709 9.544 1.00 0.00 N ATOM 467 CA ARG A 35 1.084 2.856 10.435 1.00 0.00 C ATOM 468 C ARG A 35 2.092 1.729 10.198 1.00 0.00 C ATOM 469 O ARG A 35 1.882 0.600 10.639 1.00 0.00 O ATOM 470 CB ARG A 35 0.644 2.837 11.900 1.00 0.00 C ATOM 471 CG ARG A 35 0.598 4.254 12.476 1.00 0.00 C ATOM 472 CD ARG A 35 -0.795 4.579 13.020 1.00 0.00 C ATOM 473 NE ARG A 35 -0.940 4.046 14.393 1.00 0.00 N ATOM 474 CZ ARG A 35 -0.242 4.488 15.448 1.00 0.00 C ATOM 475 NH1 ARG A 35 0.653 5.474 15.294 1.00 0.00 N ATOM 476 NH2 ARG A 35 -0.439 3.945 16.657 1.00 0.00 N ATOM 0 H ARG A 35 -0.122 1.801 9.085 1.00 0.00 H new ATOM 0 HA ARG A 35 1.550 3.818 10.221 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.340 2.375 11.982 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.333 2.226 12.483 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.335 4.351 13.273 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.868 4.974 11.703 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.951 5.658 13.022 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.557 4.148 12.371 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.613 3.295 14.546 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.803 5.888 14.374 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.184 5.810 16.097 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.120 3.195 16.774 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.092 4.282 17.460 1.00 0.00 H new ATOM 490 N THR A 36 3.165 2.075 9.502 1.00 0.00 N ATOM 491 CA THR A 36 4.206 1.107 9.202 1.00 0.00 C ATOM 492 C THR A 36 5.231 1.057 10.336 1.00 0.00 C ATOM 493 O THR A 36 5.496 2.068 10.984 1.00 0.00 O ATOM 494 CB THR A 36 4.817 1.474 7.847 1.00 0.00 C ATOM 495 OG1 THR A 36 4.094 0.676 6.913 1.00 0.00 O ATOM 496 CG2 THR A 36 6.263 0.994 7.707 1.00 0.00 C ATOM 0 H THR A 36 3.336 3.012 9.137 1.00 0.00 H new ATOM 0 HA THR A 36 3.799 0.099 9.129 1.00 0.00 H new ATOM 0 HB THR A 36 4.779 2.555 7.713 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.513 1.251 6.372 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.648 1.280 6.728 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.875 1.450 8.485 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.298 -0.091 7.808 1.00 0.00 H new ATOM 504 N SER A 37 5.780 -0.132 10.543 1.00 0.00 N ATOM 505 CA SER A 37 6.770 -0.327 11.588 1.00 0.00 C ATOM 506 C SER A 37 7.644 -1.539 11.261 1.00 0.00 C ATOM 507 O SER A 37 7.410 -2.634 11.770 1.00 0.00 O ATOM 508 CB SER A 37 6.102 -0.508 12.953 1.00 0.00 C ATOM 509 OG SER A 37 5.244 0.583 13.276 1.00 0.00 O ATOM 0 H SER A 37 5.558 -0.969 10.005 1.00 0.00 H new ATOM 0 HA SER A 37 7.397 0.563 11.635 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.527 -1.434 12.956 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.869 -0.606 13.722 1.00 0.00 H new ATOM 0 HG SER A 37 4.836 0.429 14.153 1.00 0.00 H new ATOM 515 N GLY A 38 8.634 -1.303 10.412 1.00 0.00 N ATOM 516 CA GLY A 38 9.545 -2.362 10.011 1.00 0.00 C ATOM 517 C GLY A 38 10.279 -1.993 8.720 1.00 0.00 C ATOM 518 O GLY A 38 10.706 -0.853 8.548 1.00 0.00 O ATOM 0 H GLY A 38 8.825 -0.394 9.991 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.268 -2.545 10.806 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.990 -3.289 9.866 1.00 0.00 H new ATOM 522 N ARG A 39 10.402 -2.980 7.844 1.00 0.00 N ATOM 523 CA ARG A 39 11.076 -2.774 6.574 1.00 0.00 C ATOM 524 C ARG A 39 10.053 -2.656 5.443 1.00 0.00 C ATOM 525 O ARG A 39 10.245 -1.882 4.506 1.00 0.00 O ATOM 526 CB ARG A 39 12.035 -3.927 6.267 1.00 0.00 C ATOM 527 CG ARG A 39 13.362 -3.748 7.007 1.00 0.00 C ATOM 528 CD ARG A 39 14.415 -4.729 6.488 1.00 0.00 C ATOM 529 NE ARG A 39 14.575 -5.851 7.441 1.00 0.00 N ATOM 530 CZ ARG A 39 15.674 -6.613 7.526 1.00 0.00 C ATOM 531 NH1 ARG A 39 16.716 -6.379 6.717 1.00 0.00 N ATOM 532 NH2 ARG A 39 15.730 -7.609 8.421 1.00 0.00 N ATOM 0 H ARG A 39 10.046 -3.925 7.989 1.00 0.00 H new ATOM 0 HA ARG A 39 11.648 -1.849 6.648 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.577 -4.873 6.557 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.217 -3.977 5.193 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.718 -2.726 6.880 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.211 -3.903 8.075 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.118 -5.110 5.511 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.367 -4.216 6.354 1.00 0.00 H new ATOM 0 HE ARG A 39 13.800 -6.057 8.072 1.00 0.00 H new ATOM 0 HH11 ARG A 39 16.673 -5.621 6.036 1.00 0.00 H new ATOM 0 HH12 ARG A 39 17.552 -6.959 6.782 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.936 -7.787 9.037 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.566 -8.190 8.486 1.00 0.00 H new ATOM 546 N VAL A 40 8.988 -3.433 5.567 1.00 0.00 N ATOM 547 CA VAL A 40 7.934 -3.425 4.567 1.00 0.00 C ATOM 548 C VAL A 40 6.825 -2.467 5.008 1.00 0.00 C ATOM 549 O VAL A 40 6.686 -2.178 6.196 1.00 0.00 O ATOM 550 CB VAL A 40 7.431 -4.850 4.324 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.318 -4.867 3.275 1.00 0.00 C ATOM 552 CG2 VAL A 40 8.581 -5.775 3.920 1.00 0.00 C ATOM 0 H VAL A 40 8.832 -4.073 6.346 1.00 0.00 H new ATOM 0 HA VAL A 40 8.317 -3.063 3.613 1.00 0.00 H new ATOM 0 HB VAL A 40 7.014 -5.223 5.260 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.979 -5.891 3.121 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.484 -4.256 3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.697 -4.466 2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.197 -6.781 3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.040 -5.405 3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.326 -5.798 4.715 1.00 0.00 H new ATOM 562 N ALA A 41 6.065 -2.001 4.028 1.00 0.00 N ATOM 563 CA ALA A 41 4.973 -1.082 4.300 1.00 0.00 C ATOM 564 C ALA A 41 3.817 -1.372 3.341 1.00 0.00 C ATOM 565 O ALA A 41 4.034 -1.599 2.152 1.00 0.00 O ATOM 566 CB ALA A 41 5.478 0.358 4.187 1.00 0.00 C ATOM 0 H ALA A 41 6.184 -2.243 3.044 1.00 0.00 H new ATOM 0 HA ALA A 41 4.600 -1.218 5.315 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.659 1.048 4.391 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.278 0.521 4.909 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.857 0.533 3.180 1.00 0.00 H new ATOM 572 N VAL A 42 2.613 -1.354 3.894 1.00 0.00 N ATOM 573 CA VAL A 42 1.422 -1.612 3.102 1.00 0.00 C ATOM 574 C VAL A 42 1.243 -0.489 2.079 1.00 0.00 C ATOM 575 O VAL A 42 0.532 0.481 2.335 1.00 0.00 O ATOM 576 CB VAL A 42 0.211 -1.784 4.021 1.00 0.00 C ATOM 577 CG1 VAL A 42 -1.057 -2.061 3.210 1.00 0.00 C ATOM 578 CG2 VAL A 42 0.455 -2.889 5.050 1.00 0.00 C ATOM 0 H VAL A 42 2.437 -1.165 4.881 1.00 0.00 H new ATOM 0 HA VAL A 42 1.526 -2.544 2.546 1.00 0.00 H new ATOM 0 HB VAL A 42 0.066 -0.849 4.562 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.903 -2.179 3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.246 -1.227 2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.926 -2.975 2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.421 -2.990 5.690 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.639 -3.832 4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.322 -2.634 5.659 1.00 0.00 H new ATOM 588 N GLU A 43 1.899 -0.659 0.940 1.00 0.00 N ATOM 589 CA GLU A 43 1.820 0.328 -0.123 1.00 0.00 C ATOM 590 C GLU A 43 0.404 0.901 -0.211 1.00 0.00 C ATOM 591 O GLU A 43 0.195 2.088 0.036 1.00 0.00 O ATOM 592 CB GLU A 43 2.253 -0.273 -1.462 1.00 0.00 C ATOM 593 CG GLU A 43 2.678 0.822 -2.442 1.00 0.00 C ATOM 594 CD GLU A 43 1.486 1.694 -2.842 1.00 0.00 C ATOM 595 OE1 GLU A 43 0.421 1.103 -3.125 1.00 0.00 O ATOM 596 OE2 GLU A 43 1.666 2.930 -2.856 1.00 0.00 O ATOM 0 H GLU A 43 2.487 -1.465 0.731 1.00 0.00 H new ATOM 0 HA GLU A 43 2.506 1.142 0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.080 -0.965 -1.304 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.432 -0.849 -1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.450 1.442 -1.987 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.116 0.369 -3.331 1.00 0.00 H new ATOM 603 N GLU A 44 -0.531 0.032 -0.565 1.00 0.00 N ATOM 604 CA GLU A 44 -1.921 0.437 -0.689 1.00 0.00 C ATOM 605 C GLU A 44 -2.835 -0.790 -0.675 1.00 0.00 C ATOM 606 O GLU A 44 -2.573 -1.771 -1.370 1.00 0.00 O ATOM 607 CB GLU A 44 -2.139 1.268 -1.955 1.00 0.00 C ATOM 608 CG GLU A 44 -3.594 1.727 -2.066 1.00 0.00 C ATOM 609 CD GLU A 44 -3.762 3.152 -1.534 1.00 0.00 C ATOM 610 OE1 GLU A 44 -3.090 3.466 -0.528 1.00 0.00 O ATOM 611 OE2 GLU A 44 -4.559 3.896 -2.146 1.00 0.00 O ATOM 0 H GLU A 44 -0.353 -0.951 -0.770 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.174 1.064 0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.480 2.136 -1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.872 0.678 -2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.914 1.684 -3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.237 1.048 -1.506 1.00 0.00 H new ATOM 618 N VAL A 45 -3.888 -0.695 0.124 1.00 0.00 N ATOM 619 CA VAL A 45 -4.842 -1.785 0.237 1.00 0.00 C ATOM 620 C VAL A 45 -6.236 -1.278 -0.136 1.00 0.00 C ATOM 621 O VAL A 45 -6.784 -0.407 0.538 1.00 0.00 O ATOM 622 CB VAL A 45 -4.781 -2.389 1.642 1.00 0.00 C ATOM 623 CG1 VAL A 45 -6.062 -3.163 1.961 1.00 0.00 C ATOM 624 CG2 VAL A 45 -3.548 -3.280 1.803 1.00 0.00 C ATOM 0 H VAL A 45 -4.101 0.120 0.699 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.591 -2.586 -0.458 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.697 -1.570 2.356 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.993 -3.582 2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.917 -2.489 1.907 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.189 -3.970 1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.529 -3.696 2.810 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.588 -4.091 1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.648 -2.688 1.638 1.00 0.00 H new ATOM 634 N ASP A 46 -6.770 -1.845 -1.208 1.00 0.00 N ATOM 635 CA ASP A 46 -8.090 -1.461 -1.679 1.00 0.00 C ATOM 636 C ASP A 46 -9.115 -1.712 -0.571 1.00 0.00 C ATOM 637 O ASP A 46 -9.378 -2.859 -0.212 1.00 0.00 O ATOM 638 CB ASP A 46 -8.501 -2.287 -2.899 1.00 0.00 C ATOM 639 CG ASP A 46 -9.380 -1.550 -3.912 1.00 0.00 C ATOM 640 OD1 ASP A 46 -9.407 -0.303 -3.839 1.00 0.00 O ATOM 641 OD2 ASP A 46 -10.007 -2.252 -4.735 1.00 0.00 O ATOM 0 H ASP A 46 -6.312 -2.567 -1.764 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.057 -0.406 -1.952 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.600 -2.632 -3.406 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.033 -3.174 -2.556 1.00 0.00 H new ATOM 646 N GLU A 47 -9.664 -0.621 -0.059 1.00 0.00 N ATOM 647 CA GLU A 47 -10.654 -0.708 1.001 1.00 0.00 C ATOM 648 C GLU A 47 -11.859 -1.528 0.536 1.00 0.00 C ATOM 649 O GLU A 47 -12.529 -2.169 1.345 1.00 0.00 O ATOM 650 CB GLU A 47 -11.086 0.685 1.465 1.00 0.00 C ATOM 651 CG GLU A 47 -11.563 1.532 0.284 1.00 0.00 C ATOM 652 CD GLU A 47 -12.336 2.761 0.768 1.00 0.00 C ATOM 653 OE1 GLU A 47 -11.677 3.656 1.341 1.00 0.00 O ATOM 654 OE2 GLU A 47 -13.567 2.778 0.554 1.00 0.00 O ATOM 0 H GLU A 47 -9.442 0.328 -0.358 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.201 -1.214 1.853 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.886 0.596 2.200 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.252 1.182 1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.706 1.848 -0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.199 0.931 -0.366 1.00 0.00 H new ATOM 661 N GLU A 48 -12.098 -1.483 -0.767 1.00 0.00 N ATOM 662 CA GLU A 48 -13.211 -2.214 -1.349 1.00 0.00 C ATOM 663 C GLU A 48 -13.017 -3.719 -1.155 1.00 0.00 C ATOM 664 O GLU A 48 -13.981 -4.482 -1.185 1.00 0.00 O ATOM 665 CB GLU A 48 -13.377 -1.869 -2.831 1.00 0.00 C ATOM 666 CG GLU A 48 -14.216 -0.602 -3.008 1.00 0.00 C ATOM 667 CD GLU A 48 -15.605 -0.935 -3.556 1.00 0.00 C ATOM 668 OE1 GLU A 48 -15.699 -1.943 -4.289 1.00 0.00 O ATOM 669 OE2 GLU A 48 -16.541 -0.174 -3.229 1.00 0.00 O ATOM 0 H GLU A 48 -11.540 -0.952 -1.436 1.00 0.00 H new ATOM 0 HA GLU A 48 -14.125 -1.916 -0.835 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.397 -1.727 -3.287 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.853 -2.700 -3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.312 -0.089 -2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.708 0.083 -3.687 1.00 0.00 H new ATOM 676 N GLY A 49 -11.763 -4.101 -0.960 1.00 0.00 N ATOM 677 CA GLY A 49 -11.430 -5.502 -0.761 1.00 0.00 C ATOM 678 C GLY A 49 -11.314 -6.233 -2.100 1.00 0.00 C ATOM 679 O GLY A 49 -12.149 -7.076 -2.425 1.00 0.00 O ATOM 0 H GLY A 49 -10.966 -3.465 -0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.489 -5.582 -0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.195 -5.978 -0.148 1.00 0.00 H new ATOM 683 N LYS A 50 -10.271 -5.885 -2.839 1.00 0.00 N ATOM 684 CA LYS A 50 -10.035 -6.498 -4.135 1.00 0.00 C ATOM 685 C LYS A 50 -8.607 -7.046 -4.183 1.00 0.00 C ATOM 686 O LYS A 50 -8.396 -8.210 -4.520 1.00 0.00 O ATOM 687 CB LYS A 50 -10.353 -5.512 -5.261 1.00 0.00 C ATOM 688 CG LYS A 50 -11.850 -5.503 -5.575 1.00 0.00 C ATOM 689 CD LYS A 50 -12.094 -5.559 -7.085 1.00 0.00 C ATOM 690 CE LYS A 50 -12.161 -4.152 -7.682 1.00 0.00 C ATOM 691 NZ LYS A 50 -13.515 -3.879 -8.214 1.00 0.00 N ATOM 0 H LYS A 50 -9.580 -5.187 -2.565 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.707 -7.343 -4.284 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.032 -4.511 -4.974 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.792 -5.782 -6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.331 -6.354 -5.093 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.306 -4.603 -5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.295 -6.124 -7.565 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.025 -6.088 -7.287 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.908 -3.415 -6.920 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.424 -4.053 -8.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.543 -2.920 -8.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.743 -4.572 -8.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.212 -3.953 -7.445 1.00 0.00 H new ATOM 705 N PHE A 51 -7.664 -6.181 -3.841 1.00 0.00 N ATOM 706 CA PHE A 51 -6.262 -6.563 -3.840 1.00 0.00 C ATOM 707 C PHE A 51 -5.488 -5.806 -2.760 1.00 0.00 C ATOM 708 O PHE A 51 -5.895 -4.722 -2.343 1.00 0.00 O ATOM 709 CB PHE A 51 -5.696 -6.191 -5.212 1.00 0.00 C ATOM 710 CG PHE A 51 -5.603 -4.684 -5.459 1.00 0.00 C ATOM 711 CD1 PHE A 51 -4.531 -3.985 -4.999 1.00 0.00 C ATOM 712 CD2 PHE A 51 -6.592 -4.044 -6.138 1.00 0.00 C ATOM 713 CE1 PHE A 51 -4.444 -2.587 -5.228 1.00 0.00 C ATOM 714 CE2 PHE A 51 -6.505 -2.645 -6.367 1.00 0.00 C ATOM 715 CZ PHE A 51 -5.433 -1.946 -5.907 1.00 0.00 C ATOM 0 H PHE A 51 -7.843 -5.216 -3.562 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.167 -7.630 -3.636 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.702 -6.628 -5.314 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.322 -6.638 -5.985 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.746 -4.494 -4.459 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.443 -4.599 -6.503 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.592 -2.032 -4.863 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.290 -2.136 -6.906 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.367 -0.882 -6.081 1.00 0.00 H new ATOM 725 N VAL A 52 -4.385 -6.406 -2.337 1.00 0.00 N ATOM 726 CA VAL A 52 -3.550 -5.802 -1.313 1.00 0.00 C ATOM 727 C VAL A 52 -2.149 -5.561 -1.880 1.00 0.00 C ATOM 728 O VAL A 52 -1.445 -6.508 -2.229 1.00 0.00 O ATOM 729 CB VAL A 52 -3.544 -6.678 -0.058 1.00 0.00 C ATOM 730 CG1 VAL A 52 -2.417 -6.267 0.892 1.00 0.00 C ATOM 731 CG2 VAL A 52 -4.900 -6.632 0.648 1.00 0.00 C ATOM 0 H VAL A 52 -4.050 -7.304 -2.685 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.952 -4.833 -1.015 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.362 -7.707 -0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.435 -6.905 1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.457 -6.375 0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.555 -5.228 1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.869 -7.263 1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.124 -5.606 0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.675 -6.995 -0.028 1.00 0.00 H new ATOM 741 N ARG A 53 -1.787 -4.289 -1.954 1.00 0.00 N ATOM 742 CA ARG A 53 -0.483 -3.911 -2.473 1.00 0.00 C ATOM 743 C ARG A 53 0.490 -3.647 -1.322 1.00 0.00 C ATOM 744 O ARG A 53 0.234 -2.796 -0.472 1.00 0.00 O ATOM 745 CB ARG A 53 -0.579 -2.660 -3.348 1.00 0.00 C ATOM 746 CG ARG A 53 -0.270 -2.988 -4.810 1.00 0.00 C ATOM 747 CD ARG A 53 0.790 -2.040 -5.373 1.00 0.00 C ATOM 748 NE ARG A 53 0.680 -1.974 -6.847 1.00 0.00 N ATOM 749 CZ ARG A 53 -0.352 -1.423 -7.500 1.00 0.00 C ATOM 750 NH1 ARG A 53 -1.369 -0.885 -6.812 1.00 0.00 N ATOM 751 NH2 ARG A 53 -0.368 -1.408 -8.839 1.00 0.00 N ATOM 0 H ARG A 53 -2.374 -3.507 -1.663 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.116 -4.738 -3.081 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.579 -2.234 -3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.118 -1.904 -2.986 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.079 -4.018 -4.889 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.181 -2.914 -5.403 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.663 -1.045 -4.946 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.785 -2.384 -5.090 1.00 0.00 H new ATOM 0 HE ARG A 53 1.438 -2.373 -7.401 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.357 -0.895 -5.792 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.155 -0.465 -7.308 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.406 -1.816 -9.363 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.154 -0.988 -9.335 1.00 0.00 H new ATOM 765 N LEU A 54 1.586 -4.391 -1.333 1.00 0.00 N ATOM 766 CA LEU A 54 2.598 -4.248 -0.300 1.00 0.00 C ATOM 767 C LEU A 54 3.932 -3.874 -0.949 1.00 0.00 C ATOM 768 O LEU A 54 4.378 -4.535 -1.886 1.00 0.00 O ATOM 769 CB LEU A 54 2.666 -5.510 0.562 1.00 0.00 C ATOM 770 CG LEU A 54 1.327 -6.050 1.067 1.00 0.00 C ATOM 771 CD1 LEU A 54 1.448 -7.519 1.478 1.00 0.00 C ATOM 772 CD2 LEU A 54 0.778 -5.181 2.201 1.00 0.00 C ATOM 0 H LEU A 54 1.796 -5.095 -2.041 1.00 0.00 H new ATOM 0 HA LEU A 54 2.336 -3.439 0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.157 -6.294 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.300 -5.303 1.424 1.00 0.00 H new ATOM 0 HG LEU A 54 0.609 -6.003 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.482 -7.878 1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.762 -8.112 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.186 -7.614 2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.175 -5.587 2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.486 -5.174 3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.631 -4.163 1.841 1.00 0.00 H new ATOM 784 N ARG A 55 4.532 -2.815 -0.425 1.00 0.00 N ATOM 785 CA ARG A 55 5.806 -2.345 -0.942 1.00 0.00 C ATOM 786 C ARG A 55 6.855 -2.322 0.172 1.00 0.00 C ATOM 787 O ARG A 55 6.524 -2.104 1.337 1.00 0.00 O ATOM 788 CB ARG A 55 5.675 -0.942 -1.538 1.00 0.00 C ATOM 789 CG ARG A 55 7.049 -0.361 -1.880 1.00 0.00 C ATOM 790 CD ARG A 55 6.946 0.657 -3.018 1.00 0.00 C ATOM 791 NE ARG A 55 6.772 2.019 -2.464 1.00 0.00 N ATOM 792 CZ ARG A 55 6.970 3.145 -3.163 1.00 0.00 C ATOM 793 NH1 ARG A 55 7.349 3.079 -4.446 1.00 0.00 N ATOM 794 NH2 ARG A 55 6.788 4.337 -2.578 1.00 0.00 N ATOM 0 H ARG A 55 4.159 -2.269 0.352 1.00 0.00 H new ATOM 0 HA ARG A 55 6.119 -3.033 -1.727 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.059 -0.981 -2.436 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.166 -0.288 -0.830 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.476 0.116 -0.998 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.727 -1.165 -2.167 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.844 0.618 -3.634 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.105 0.408 -3.665 1.00 0.00 H new ATOM 0 HE ARG A 55 6.483 2.106 -1.490 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.487 2.172 -4.891 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.500 3.936 -4.978 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.499 4.387 -1.601 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.939 5.194 -3.110 1.00 0.00 H new ATOM 808 N ASN A 56 8.098 -2.551 -0.224 1.00 0.00 N ATOM 809 CA ASN A 56 9.197 -2.560 0.726 1.00 0.00 C ATOM 810 C ASN A 56 9.816 -1.163 0.796 1.00 0.00 C ATOM 811 O ASN A 56 9.795 -0.421 -0.185 1.00 0.00 O ATOM 812 CB ASN A 56 10.290 -3.541 0.296 1.00 0.00 C ATOM 813 CG ASN A 56 11.233 -3.855 1.459 1.00 0.00 C ATOM 814 OD1 ASN A 56 11.192 -3.237 2.510 1.00 0.00 O ATOM 815 ND2 ASN A 56 12.083 -4.848 1.213 1.00 0.00 N ATOM 0 H ASN A 56 8.369 -2.732 -1.191 1.00 0.00 H new ATOM 0 HA ASN A 56 8.802 -2.864 1.695 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.834 -4.463 -0.067 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.857 -3.118 -0.533 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.754 -5.134 1.926 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.064 -5.324 0.311 1.00 0.00 H new ATOM 822 N LYS A 57 10.353 -0.846 1.965 1.00 0.00 N ATOM 823 CA LYS A 57 10.978 0.449 2.175 1.00 0.00 C ATOM 824 C LYS A 57 12.477 0.256 2.410 1.00 0.00 C ATOM 825 O LYS A 57 13.286 1.088 2.002 1.00 0.00 O ATOM 826 CB LYS A 57 10.272 1.208 3.301 1.00 0.00 C ATOM 827 CG LYS A 57 8.756 1.208 3.095 1.00 0.00 C ATOM 828 CD LYS A 57 8.332 2.327 2.142 1.00 0.00 C ATOM 829 CE LYS A 57 7.795 1.755 0.829 1.00 0.00 C ATOM 830 NZ LYS A 57 8.796 1.909 -0.251 1.00 0.00 N ATOM 0 H LYS A 57 10.368 -1.464 2.777 1.00 0.00 H new ATOM 0 HA LYS A 57 10.872 1.071 1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.512 0.749 4.260 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.638 2.234 3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.440 0.245 2.694 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.255 1.334 4.055 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.566 2.942 2.615 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.182 2.978 1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.550 0.701 0.958 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.872 2.266 0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.395 2.489 -1.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.646 2.374 0.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.051 0.972 -0.624 1.00 0.00 H new ATOM 844 N SER A 58 12.803 -0.848 3.068 1.00 0.00 N ATOM 845 CA SER A 58 14.191 -1.161 3.362 1.00 0.00 C ATOM 846 C SER A 58 14.972 -1.351 2.060 1.00 0.00 C ATOM 847 O SER A 58 14.380 -1.460 0.987 1.00 0.00 O ATOM 848 CB SER A 58 14.300 -2.414 4.234 1.00 0.00 C ATOM 849 OG SER A 58 14.330 -3.606 3.453 1.00 0.00 O ATOM 0 H SER A 58 12.130 -1.536 3.405 1.00 0.00 H new ATOM 0 HA SER A 58 14.620 -0.326 3.917 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.203 -2.356 4.842 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.455 -2.452 4.922 1.00 0.00 H new ATOM 0 HG SER A 58 15.180 -4.071 3.598 1.00 0.00 H new ATOM 855 N ASN A 59 16.289 -1.384 2.197 1.00 0.00 N ATOM 856 CA ASN A 59 17.157 -1.559 1.045 1.00 0.00 C ATOM 857 C ASN A 59 17.634 -3.011 0.986 1.00 0.00 C ATOM 858 O ASN A 59 18.203 -3.442 -0.015 1.00 0.00 O ATOM 859 CB ASN A 59 18.392 -0.660 1.144 1.00 0.00 C ATOM 860 CG ASN A 59 18.987 -0.699 2.553 1.00 0.00 C ATOM 861 OD1 ASN A 59 19.755 -1.759 2.787 1.00 0.00 O flip ATOM 862 ND2 ASN A 59 18.763 0.176 3.374 1.00 0.00 N flip ATOM 0 H ASN A 59 16.776 -1.293 3.088 1.00 0.00 H new ATOM 0 HA ASN A 59 16.589 -1.296 0.153 1.00 0.00 H new ATOM 0 HB2 ASN A 59 19.140 -0.983 0.420 1.00 0.00 H new ATOM 0 HB3 ASN A 59 18.122 0.364 0.888 1.00 0.00 H new ATOM 0 HD21 ASN A 59 18.163 0.964 3.129 1.00 0.00 H new ATOM 0 HD22 ASN A 59 19.175 0.119 4.305 1.00 0.00 H new ATOM 869 N GLU A 60 17.384 -3.727 2.073 1.00 0.00 N ATOM 870 CA GLU A 60 17.780 -5.122 2.158 1.00 0.00 C ATOM 871 C GLU A 60 16.604 -6.031 1.794 1.00 0.00 C ATOM 872 O GLU A 60 15.567 -6.005 2.456 1.00 0.00 O ATOM 873 CB GLU A 60 18.320 -5.455 3.550 1.00 0.00 C ATOM 874 CG GLU A 60 19.790 -5.049 3.679 1.00 0.00 C ATOM 875 CD GLU A 60 20.282 -5.222 5.118 1.00 0.00 C ATOM 876 OE1 GLU A 60 19.580 -4.719 6.022 1.00 0.00 O ATOM 877 OE2 GLU A 60 21.349 -5.852 5.281 1.00 0.00 O ATOM 0 H GLU A 60 16.912 -3.367 2.902 1.00 0.00 H new ATOM 0 HA GLU A 60 18.583 -5.296 1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.729 -4.939 4.306 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.216 -6.524 3.738 1.00 0.00 H new ATOM 0 HG2 GLU A 60 20.399 -5.655 3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 60 19.913 -4.011 3.371 1.00 0.00 H new ATOM 884 N ASP A 61 16.805 -6.814 0.744 1.00 0.00 N ATOM 885 CA ASP A 61 15.774 -7.729 0.285 1.00 0.00 C ATOM 886 C ASP A 61 15.101 -8.381 1.494 1.00 0.00 C ATOM 887 O ASP A 61 15.770 -8.995 2.324 1.00 0.00 O ATOM 888 CB ASP A 61 16.371 -8.840 -0.581 1.00 0.00 C ATOM 889 CG ASP A 61 17.733 -9.361 -0.118 1.00 0.00 C ATOM 890 OD1 ASP A 61 18.030 -9.182 1.083 1.00 0.00 O ATOM 891 OD2 ASP A 61 18.446 -9.925 -0.974 1.00 0.00 O ATOM 0 H ASP A 61 17.666 -6.833 0.198 1.00 0.00 H new ATOM 0 HA ASP A 61 15.055 -7.159 -0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 61 15.670 -9.674 -0.609 1.00 0.00 H new ATOM 0 HB3 ASP A 61 16.468 -8.471 -1.602 1.00 0.00 H new ATOM 896 N GLN A 62 13.787 -8.225 1.555 1.00 0.00 N ATOM 897 CA GLN A 62 13.017 -8.791 2.650 1.00 0.00 C ATOM 898 C GLN A 62 12.549 -10.204 2.294 1.00 0.00 C ATOM 899 O GLN A 62 12.127 -10.456 1.167 1.00 0.00 O ATOM 900 CB GLN A 62 11.830 -7.894 3.006 1.00 0.00 C ATOM 901 CG GLN A 62 10.989 -8.514 4.124 1.00 0.00 C ATOM 902 CD GLN A 62 11.863 -8.892 5.322 1.00 0.00 C ATOM 903 OE1 GLN A 62 11.755 -10.166 5.689 1.00 0.00 O flip ATOM 904 NE2 GLN A 62 12.587 -8.081 5.875 1.00 0.00 N flip ATOM 0 H GLN A 62 13.236 -7.715 0.864 1.00 0.00 H new ATOM 0 HA GLN A 62 13.660 -8.852 3.528 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.191 -6.914 3.319 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.210 -7.738 2.123 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.219 -7.809 4.439 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.476 -9.400 3.750 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.622 -7.118 5.541 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.158 -8.366 6.671 1.00 0.00 H new ATOM 913 N SER A 63 12.638 -11.087 3.277 1.00 0.00 N ATOM 914 CA SER A 63 12.229 -12.468 3.082 1.00 0.00 C ATOM 915 C SER A 63 10.870 -12.709 3.741 1.00 0.00 C ATOM 916 O SER A 63 10.745 -12.629 4.962 1.00 0.00 O ATOM 917 CB SER A 63 13.271 -13.436 3.646 1.00 0.00 C ATOM 918 OG SER A 63 14.580 -13.158 3.155 1.00 0.00 O ATOM 0 H SER A 63 12.987 -10.873 4.211 1.00 0.00 H new ATOM 0 HA SER A 63 12.144 -12.651 2.011 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.271 -13.374 4.734 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.995 -14.458 3.385 1.00 0.00 H new ATOM 0 HG SER A 63 15.216 -13.796 3.540 1.00 0.00 H new ATOM 924 N MET A 64 9.885 -12.999 2.903 1.00 0.00 N ATOM 925 CA MET A 64 8.539 -13.252 3.389 1.00 0.00 C ATOM 926 C MET A 64 8.203 -14.743 3.321 1.00 0.00 C ATOM 927 O MET A 64 7.119 -15.119 2.879 1.00 0.00 O ATOM 928 CB MET A 64 7.535 -12.463 2.546 1.00 0.00 C ATOM 929 CG MET A 64 8.095 -11.090 2.168 1.00 0.00 C ATOM 930 SD MET A 64 6.856 -10.144 1.299 1.00 0.00 S ATOM 931 CE MET A 64 5.472 -10.354 2.407 1.00 0.00 C ATOM 0 H MET A 64 9.992 -13.064 1.891 1.00 0.00 H new ATOM 0 HA MET A 64 8.483 -12.933 4.430 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.294 -13.023 1.642 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.605 -12.340 3.102 1.00 0.00 H new ATOM 0 HG2 MET A 64 8.409 -10.556 3.065 1.00 0.00 H new ATOM 0 HG3 MET A 64 8.979 -11.209 1.542 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.671 -9.672 2.122 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.112 -11.381 2.349 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.787 -10.137 3.428 1.00 0.00 H new ATOM 941 N GLY A 65 9.154 -15.552 3.766 1.00 0.00 N ATOM 942 CA GLY A 65 8.972 -16.993 3.762 1.00 0.00 C ATOM 943 C GLY A 65 8.282 -17.463 5.044 1.00 0.00 C ATOM 944 O GLY A 65 8.796 -18.331 5.747 1.00 0.00 O ATOM 0 H GLY A 65 10.052 -15.236 4.131 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.377 -17.285 2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.940 -17.485 3.665 1.00 0.00 H new ATOM 948 N ASN A 66 7.129 -16.868 5.309 1.00 0.00 N ATOM 949 CA ASN A 66 6.363 -17.215 6.494 1.00 0.00 C ATOM 950 C ASN A 66 5.478 -16.030 6.889 1.00 0.00 C ATOM 951 O ASN A 66 4.460 -16.207 7.556 1.00 0.00 O ATOM 952 CB ASN A 66 7.286 -17.529 7.674 1.00 0.00 C ATOM 953 CG ASN A 66 7.314 -19.031 7.962 1.00 0.00 C ATOM 954 OD1 ASN A 66 7.237 -19.793 6.875 1.00 0.00 O flip ATOM 955 ND2 ASN A 66 7.400 -19.470 9.098 1.00 0.00 N flip ATOM 0 H ASN A 66 6.706 -16.148 4.724 1.00 0.00 H new ATOM 0 HA ASN A 66 5.762 -18.094 6.262 1.00 0.00 H new ATOM 0 HB2 ASN A 66 8.294 -17.178 7.455 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.946 -16.991 8.559 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.456 -18.829 9.890 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.416 -20.478 9.255 1.00 0.00 H new ATOM 962 N TRP A 67 5.899 -14.850 6.460 1.00 0.00 N ATOM 963 CA TRP A 67 5.157 -13.637 6.760 1.00 0.00 C ATOM 964 C TRP A 67 3.676 -13.910 6.494 1.00 0.00 C ATOM 965 O TRP A 67 3.328 -14.913 5.873 1.00 0.00 O ATOM 966 CB TRP A 67 5.700 -12.450 5.961 1.00 0.00 C ATOM 967 CG TRP A 67 7.065 -11.951 6.437 1.00 0.00 C ATOM 968 CD1 TRP A 67 8.134 -12.680 6.787 1.00 0.00 C ATOM 969 CD2 TRP A 67 7.468 -10.575 6.601 1.00 0.00 C ATOM 970 NE1 TRP A 67 9.192 -11.878 7.164 1.00 0.00 N ATOM 971 CE2 TRP A 67 8.774 -10.557 7.047 1.00 0.00 C ATOM 972 CE3 TRP A 67 6.753 -9.385 6.380 1.00 0.00 C ATOM 973 CZ2 TRP A 67 9.478 -9.376 7.310 1.00 0.00 C ATOM 974 CZ3 TRP A 67 7.471 -8.213 6.648 1.00 0.00 C ATOM 975 CH2 TRP A 67 8.785 -8.178 7.098 1.00 0.00 C ATOM 0 H TRP A 67 6.744 -14.708 5.907 1.00 0.00 H new ATOM 0 HA TRP A 67 5.277 -13.361 7.808 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.775 -12.735 4.912 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.985 -11.629 6.018 1.00 0.00 H new ATOM 0 HD1 TRP A 67 8.164 -13.760 6.775 1.00 0.00 H new ATOM 0 HE1 TRP A 67 10.111 -12.196 7.472 1.00 0.00 H new ATOM 0 HE3 TRP A 67 5.731 -9.375 6.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 10.500 -9.388 7.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 6.968 -7.270 6.494 1.00 0.00 H new ATOM 0 HH2 TRP A 67 9.270 -7.231 7.283 1.00 0.00 H new ATOM 986 N GLN A 68 2.843 -13.000 6.977 1.00 0.00 N ATOM 987 CA GLN A 68 1.407 -13.131 6.799 1.00 0.00 C ATOM 988 C GLN A 68 0.754 -11.749 6.721 1.00 0.00 C ATOM 989 O GLN A 68 1.392 -10.740 7.015 1.00 0.00 O ATOM 990 CB GLN A 68 0.789 -13.967 7.921 1.00 0.00 C ATOM 991 CG GLN A 68 1.837 -14.870 8.573 1.00 0.00 C ATOM 992 CD GLN A 68 1.191 -15.820 9.583 1.00 0.00 C ATOM 993 OE1 GLN A 68 -0.001 -16.079 9.556 1.00 0.00 O ATOM 994 NE2 GLN A 68 2.041 -16.324 10.473 1.00 0.00 N ATOM 0 H GLN A 68 3.135 -12.169 7.491 1.00 0.00 H new ATOM 0 HA GLN A 68 1.223 -13.652 5.860 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.353 -13.308 8.672 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.022 -14.575 7.521 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.354 -15.446 7.805 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.589 -14.259 9.073 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.027 -16.066 10.440 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.707 -16.969 11.189 1.00 0.00 H new ATOM 1003 N ILE A 69 -0.510 -11.749 6.324 1.00 0.00 N ATOM 1004 CA ILE A 69 -1.257 -10.508 6.204 1.00 0.00 C ATOM 1005 C ILE A 69 -2.600 -10.655 6.921 1.00 0.00 C ATOM 1006 O ILE A 69 -3.443 -11.451 6.511 1.00 0.00 O ATOM 1007 CB ILE A 69 -1.385 -10.100 4.735 1.00 0.00 C ATOM 1008 CG1 ILE A 69 -0.169 -10.561 3.929 1.00 0.00 C ATOM 1009 CG2 ILE A 69 -1.623 -8.594 4.603 1.00 0.00 C ATOM 1010 CD1 ILE A 69 -0.373 -10.306 2.434 1.00 0.00 C ATOM 0 H ILE A 69 -1.036 -12.589 6.081 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.723 -9.693 6.692 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.257 -10.602 4.316 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.721 -10.034 4.273 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.004 -11.624 4.100 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.710 -8.330 3.549 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.543 -8.324 5.122 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.786 -8.053 5.044 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.506 -10.643 1.884 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.249 -10.854 2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.521 -9.240 2.264 1.00 0.00 H new ATOM 1022 N ARG A 70 -2.758 -9.873 7.979 1.00 0.00 N ATOM 1023 CA ARG A 70 -3.985 -9.906 8.758 1.00 0.00 C ATOM 1024 C ARG A 70 -4.984 -8.882 8.216 1.00 0.00 C ATOM 1025 O ARG A 70 -4.647 -7.712 8.043 1.00 0.00 O ATOM 1026 CB ARG A 70 -3.709 -9.609 10.233 1.00 0.00 C ATOM 1027 CG ARG A 70 -3.127 -10.835 10.940 1.00 0.00 C ATOM 1028 CD ARG A 70 -3.271 -10.712 12.458 1.00 0.00 C ATOM 1029 NE ARG A 70 -2.264 -11.562 13.132 1.00 0.00 N ATOM 1030 CZ ARG A 70 -2.432 -12.866 13.388 1.00 0.00 C ATOM 1031 NH1 ARG A 70 -3.568 -13.479 13.028 1.00 0.00 N ATOM 1032 NH2 ARG A 70 -1.464 -13.558 14.005 1.00 0.00 N ATOM 0 H ARG A 70 -2.057 -9.213 8.315 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.405 -10.908 8.674 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.014 -8.773 10.315 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.633 -9.305 10.725 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.637 -11.735 10.594 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.074 -10.945 10.679 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.143 -9.673 12.761 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.274 -11.011 12.762 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.387 -11.128 13.420 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.305 -12.953 12.559 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.696 -14.472 13.223 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.599 -13.092 14.280 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.592 -14.551 14.200 1.00 0.00 H new ATOM 1046 N ARG A 71 -6.194 -9.359 7.964 1.00 0.00 N ATOM 1047 CA ARG A 71 -7.245 -8.500 7.446 1.00 0.00 C ATOM 1048 C ARG A 71 -8.547 -8.731 8.215 1.00 0.00 C ATOM 1049 O ARG A 71 -9.177 -9.779 8.074 1.00 0.00 O ATOM 1050 CB ARG A 71 -7.486 -8.760 5.958 1.00 0.00 C ATOM 1051 CG ARG A 71 -8.774 -8.083 5.485 1.00 0.00 C ATOM 1052 CD ARG A 71 -8.791 -6.604 5.875 1.00 0.00 C ATOM 1053 NE ARG A 71 -9.273 -5.787 4.739 1.00 0.00 N ATOM 1054 CZ ARG A 71 -8.629 -5.671 3.570 1.00 0.00 C ATOM 1055 NH1 ARG A 71 -7.472 -6.319 3.375 1.00 0.00 N ATOM 1056 NH2 ARG A 71 -9.141 -4.907 2.595 1.00 0.00 N ATOM 0 H ARG A 71 -6.470 -10.330 8.109 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.922 -7.467 7.575 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.641 -8.388 5.379 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.548 -9.833 5.778 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.863 -8.178 4.403 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.636 -8.588 5.921 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.436 -6.455 6.741 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.790 -6.284 6.165 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.151 -5.280 4.853 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.082 -6.900 4.117 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.982 -6.231 2.485 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.021 -4.414 2.743 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.650 -4.819 1.705 1.00 0.00 H new ATOM 1070 N GLN A 72 -8.913 -7.737 9.011 1.00 0.00 N ATOM 1071 CA GLN A 72 -10.129 -7.820 9.802 1.00 0.00 C ATOM 1072 C GLN A 72 -11.110 -6.724 9.381 1.00 0.00 C ATOM 1073 O GLN A 72 -10.742 -5.553 9.302 1.00 0.00 O ATOM 1074 CB GLN A 72 -9.817 -7.733 11.297 1.00 0.00 C ATOM 1075 CG GLN A 72 -10.817 -8.554 12.114 1.00 0.00 C ATOM 1076 CD GLN A 72 -12.082 -7.745 12.406 1.00 0.00 C ATOM 1077 OE1 GLN A 72 -13.198 -8.297 11.938 1.00 0.00 O flip ATOM 1078 NE2 GLN A 72 -12.048 -6.689 13.016 1.00 0.00 N flip ATOM 0 H GLN A 72 -8.389 -6.870 9.125 1.00 0.00 H new ATOM 0 HA GLN A 72 -10.595 -8.788 9.618 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.806 -8.095 11.483 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.847 -6.692 11.619 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.079 -9.461 11.569 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.357 -8.867 13.051 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.157 -6.320 13.348 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.911 -6.175 13.194 1.00 0.00 H new ATOM 1087 N ASN A 73 -12.340 -7.143 9.123 1.00 0.00 N ATOM 1088 CA ASN A 73 -13.378 -6.212 8.713 1.00 0.00 C ATOM 1089 C ASN A 73 -14.578 -6.345 9.653 1.00 0.00 C ATOM 1090 O ASN A 73 -14.844 -7.427 10.175 1.00 0.00 O ATOM 1091 CB ASN A 73 -13.856 -6.511 7.291 1.00 0.00 C ATOM 1092 CG ASN A 73 -12.676 -6.586 6.320 1.00 0.00 C ATOM 1093 OD1 ASN A 73 -11.605 -7.075 6.641 1.00 0.00 O ATOM 1094 ND2 ASN A 73 -12.930 -6.076 5.119 1.00 0.00 N ATOM 0 H ASN A 73 -12.641 -8.115 9.190 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.961 -5.206 8.749 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -14.403 -7.454 7.278 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -14.550 -5.736 6.966 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.206 -6.079 4.400 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -13.849 -5.682 4.916 1.00 0.00 H new ATOM 1146 N LEU A 78 -12.058 -12.759 10.682 1.00 0.00 N ATOM 1147 CA LEU A 78 -10.678 -12.322 10.558 1.00 0.00 C ATOM 1148 C LEU A 78 -9.907 -13.319 9.690 1.00 0.00 C ATOM 1149 O LEU A 78 -9.970 -14.525 9.921 1.00 0.00 O ATOM 1150 CB LEU A 78 -10.059 -12.103 11.940 1.00 0.00 C ATOM 1151 CG LEU A 78 -8.535 -11.973 11.981 1.00 0.00 C ATOM 1152 CD1 LEU A 78 -8.054 -10.872 11.035 1.00 0.00 C ATOM 1153 CD2 LEU A 78 -8.041 -11.756 13.412 1.00 0.00 C ATOM 0 HA LEU A 78 -10.628 -11.356 10.055 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.492 -11.200 12.371 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.350 -12.934 12.582 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.103 -12.910 11.631 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.967 -10.800 11.083 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.357 -11.110 10.015 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.494 -9.920 11.331 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.955 -11.667 13.412 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.480 -10.843 13.814 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.336 -12.603 14.031 1.00 0.00 H new ATOM 1165 N MET A 79 -9.198 -12.777 8.711 1.00 0.00 N ATOM 1166 CA MET A 79 -8.416 -13.605 7.808 1.00 0.00 C ATOM 1167 C MET A 79 -6.929 -13.254 7.892 1.00 0.00 C ATOM 1168 O MET A 79 -6.571 -12.098 8.114 1.00 0.00 O ATOM 1169 CB MET A 79 -8.908 -13.401 6.373 1.00 0.00 C ATOM 1170 CG MET A 79 -8.796 -11.932 5.959 1.00 0.00 C ATOM 1171 SD MET A 79 -10.407 -11.295 5.528 1.00 0.00 S ATOM 1172 CE MET A 79 -10.642 -12.092 3.948 1.00 0.00 C ATOM 0 H MET A 79 -9.148 -11.776 8.523 1.00 0.00 H new ATOM 0 HA MET A 79 -8.542 -14.648 8.100 1.00 0.00 H new ATOM 0 HB2 MET A 79 -8.323 -14.020 5.693 1.00 0.00 H new ATOM 0 HB3 MET A 79 -9.944 -13.728 6.290 1.00 0.00 H new ATOM 0 HG2 MET A 79 -8.371 -11.347 6.775 1.00 0.00 H new ATOM 0 HG3 MET A 79 -8.119 -11.835 5.111 1.00 0.00 H new ATOM 0 HE1 MET A 79 -11.608 -11.802 3.534 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.848 -11.788 3.266 1.00 0.00 H new ATOM 0 HE3 MET A 79 -10.614 -13.174 4.078 1.00 0.00 H new ATOM 1182 N THR A 80 -6.102 -14.274 7.712 1.00 0.00 N ATOM 1183 CA THR A 80 -4.662 -14.088 7.765 1.00 0.00 C ATOM 1184 C THR A 80 -3.992 -14.776 6.574 1.00 0.00 C ATOM 1185 O THR A 80 -3.784 -15.988 6.589 1.00 0.00 O ATOM 1186 CB THR A 80 -4.169 -14.601 9.119 1.00 0.00 C ATOM 1187 OG1 THR A 80 -4.752 -13.706 10.062 1.00 0.00 O ATOM 1188 CG2 THR A 80 -2.662 -14.408 9.305 1.00 0.00 C ATOM 0 H THR A 80 -6.402 -15.232 7.529 1.00 0.00 H new ATOM 0 HA THR A 80 -4.396 -13.034 7.684 1.00 0.00 H new ATOM 0 HB THR A 80 -4.415 -15.658 9.218 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.910 -14.178 10.906 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.364 -14.789 10.282 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.127 -14.950 8.526 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.420 -13.347 9.240 1.00 0.00 H new ATOM 1196 N TYR A 81 -3.671 -13.972 5.570 1.00 0.00 N ATOM 1197 CA TYR A 81 -3.028 -14.488 4.374 1.00 0.00 C ATOM 1198 C TYR A 81 -1.540 -14.745 4.618 1.00 0.00 C ATOM 1199 O TYR A 81 -0.731 -13.819 4.573 1.00 0.00 O ATOM 1200 CB TYR A 81 -3.178 -13.398 3.311 1.00 0.00 C ATOM 1201 CG TYR A 81 -2.459 -13.708 1.996 1.00 0.00 C ATOM 1202 CD1 TYR A 81 -1.142 -13.333 1.825 1.00 0.00 C ATOM 1203 CD2 TYR A 81 -3.128 -14.362 0.982 1.00 0.00 C ATOM 1204 CE1 TYR A 81 -0.466 -13.624 0.588 1.00 0.00 C ATOM 1205 CE2 TYR A 81 -2.452 -14.653 -0.256 1.00 0.00 C ATOM 1206 CZ TYR A 81 -1.154 -14.270 -0.392 1.00 0.00 C ATOM 1207 OH TYR A 81 -0.515 -14.545 -1.560 1.00 0.00 O ATOM 0 H TYR A 81 -3.845 -12.967 5.561 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.481 -15.432 4.072 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -4.238 -13.247 3.107 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.794 -12.460 3.711 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.619 -12.821 2.619 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.159 -14.656 1.117 1.00 0.00 H new ATOM 0 HE1 TYR A 81 0.564 -13.336 0.441 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.964 -15.164 -1.058 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.128 -15.010 -2.167 1.00 0.00 H new ATOM 1217 N ARG A 82 -1.224 -16.006 4.872 1.00 0.00 N ATOM 1218 CA ARG A 82 0.153 -16.396 5.124 1.00 0.00 C ATOM 1219 C ARG A 82 0.889 -16.629 3.803 1.00 0.00 C ATOM 1220 O ARG A 82 0.480 -17.467 3.000 1.00 0.00 O ATOM 1221 CB ARG A 82 0.220 -17.670 5.968 1.00 0.00 C ATOM 1222 CG ARG A 82 1.660 -17.982 6.378 1.00 0.00 C ATOM 1223 CD ARG A 82 1.714 -18.571 7.789 1.00 0.00 C ATOM 1224 NE ARG A 82 1.157 -19.942 7.787 1.00 0.00 N ATOM 1225 CZ ARG A 82 1.451 -20.874 8.705 1.00 0.00 C ATOM 1226 NH1 ARG A 82 2.297 -20.587 9.703 1.00 0.00 N ATOM 1227 NH2 ARG A 82 0.899 -22.092 8.623 1.00 0.00 N ATOM 0 H ARG A 82 -1.898 -16.771 4.909 1.00 0.00 H new ATOM 0 HA ARG A 82 0.631 -15.585 5.673 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.398 -17.553 6.858 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.190 -18.507 5.403 1.00 0.00 H new ATOM 0 HG2 ARG A 82 2.099 -18.685 5.670 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.259 -17.072 6.337 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.744 -18.589 8.145 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.149 -17.941 8.477 1.00 0.00 H new ATOM 0 HE ARG A 82 0.509 -20.194 7.041 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.717 -19.660 9.764 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.521 -21.296 10.402 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.255 -22.310 7.862 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.122 -22.801 9.321 1.00 0.00 H new ATOM 1241 N PHE A 83 1.961 -15.873 3.618 1.00 0.00 N ATOM 1242 CA PHE A 83 2.758 -15.987 2.408 1.00 0.00 C ATOM 1243 C PHE A 83 3.494 -17.327 2.360 1.00 0.00 C ATOM 1244 O PHE A 83 3.600 -18.018 3.373 1.00 0.00 O ATOM 1245 CB PHE A 83 3.785 -14.855 2.440 1.00 0.00 C ATOM 1246 CG PHE A 83 3.248 -13.512 1.940 1.00 0.00 C ATOM 1247 CD1 PHE A 83 3.050 -13.312 0.609 1.00 0.00 C ATOM 1248 CD2 PHE A 83 2.968 -12.519 2.825 1.00 0.00 C ATOM 1249 CE1 PHE A 83 2.552 -12.067 0.144 1.00 0.00 C ATOM 1250 CE2 PHE A 83 2.469 -11.273 2.361 1.00 0.00 C ATOM 1251 CZ PHE A 83 2.272 -11.073 1.030 1.00 0.00 C ATOM 0 H PHE A 83 2.297 -15.179 4.286 1.00 0.00 H new ATOM 0 HA PHE A 83 2.113 -15.926 1.531 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.144 -14.733 3.462 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.644 -15.140 1.832 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.272 -14.101 -0.094 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.125 -12.678 3.882 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.395 -11.909 -0.913 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.246 -10.485 3.065 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.893 -10.125 0.677 1.00 0.00 H new ATOM 1261 N PRO A 84 3.999 -17.664 1.143 1.00 0.00 N ATOM 1262 CA PRO A 84 4.722 -18.909 0.950 1.00 0.00 C ATOM 1263 C PRO A 84 6.129 -18.823 1.547 1.00 0.00 C ATOM 1264 O PRO A 84 6.757 -17.766 1.515 1.00 0.00 O ATOM 1265 CB PRO A 84 4.728 -19.132 -0.553 1.00 0.00 C ATOM 1266 CG PRO A 84 4.418 -17.781 -1.176 1.00 0.00 C ATOM 1267 CD PRO A 84 3.893 -16.870 -0.078 1.00 0.00 C ATOM 0 HA PRO A 84 4.255 -19.750 1.462 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.696 -19.504 -0.889 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.984 -19.875 -0.841 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.313 -17.355 -1.629 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.679 -17.887 -1.970 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.481 -15.955 -0.008 1.00 0.00 H new ATOM 0 HD3 PRO A 84 2.862 -16.573 -0.269 1.00 0.00 H new ATOM 1275 N PRO A 85 6.593 -19.979 2.092 1.00 0.00 N ATOM 1276 CA PRO A 85 7.913 -20.045 2.695 1.00 0.00 C ATOM 1277 C PRO A 85 9.005 -20.071 1.624 1.00 0.00 C ATOM 1278 O PRO A 85 10.035 -20.721 1.797 1.00 0.00 O ATOM 1279 CB PRO A 85 7.892 -21.300 3.552 1.00 0.00 C ATOM 1280 CG PRO A 85 6.732 -22.137 3.037 1.00 0.00 C ATOM 1281 CD PRO A 85 5.876 -21.250 2.148 1.00 0.00 C ATOM 0 HA PRO A 85 8.142 -19.169 3.301 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.833 -21.844 3.471 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.757 -21.052 4.605 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.100 -22.997 2.477 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.144 -22.526 3.868 1.00 0.00 H new ATOM 0 HD2 PRO A 85 5.757 -21.682 1.154 1.00 0.00 H new ATOM 0 HD3 PRO A 85 4.876 -21.122 2.562 1.00 0.00 H new ATOM 1289 N LYS A 86 8.743 -19.356 0.539 1.00 0.00 N ATOM 1290 CA LYS A 86 9.690 -19.289 -0.560 1.00 0.00 C ATOM 1291 C LYS A 86 9.515 -17.959 -1.298 1.00 0.00 C ATOM 1292 O LYS A 86 9.814 -17.861 -2.487 1.00 0.00 O ATOM 1293 CB LYS A 86 9.551 -20.516 -1.463 1.00 0.00 C ATOM 1294 CG LYS A 86 8.122 -20.646 -1.995 1.00 0.00 C ATOM 1295 CD LYS A 86 7.419 -21.862 -1.388 1.00 0.00 C ATOM 1296 CE LYS A 86 6.499 -22.530 -2.412 1.00 0.00 C ATOM 1297 NZ LYS A 86 5.735 -21.511 -3.165 1.00 0.00 N ATOM 0 H LYS A 86 7.888 -18.818 0.398 1.00 0.00 H new ATOM 0 HA LYS A 86 10.713 -19.313 -0.184 1.00 0.00 H new ATOM 0 HB2 LYS A 86 10.248 -20.439 -2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.819 -21.414 -0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.560 -19.742 -1.761 1.00 0.00 H new ATOM 0 HG3 LYS A 86 8.141 -20.737 -3.081 1.00 0.00 H new ATOM 0 HD2 LYS A 86 8.162 -22.579 -1.038 1.00 0.00 H new ATOM 0 HD3 LYS A 86 6.839 -21.555 -0.518 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.090 -23.133 -3.102 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.812 -23.207 -1.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.847 -21.928 -3.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.521 -20.707 -2.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.300 -21.181 -3.974 1.00 0.00 H new ATOM 1311 N PHE A 87 9.032 -16.970 -0.561 1.00 0.00 N ATOM 1312 CA PHE A 87 8.814 -15.651 -1.130 1.00 0.00 C ATOM 1313 C PHE A 87 9.747 -14.618 -0.494 1.00 0.00 C ATOM 1314 O PHE A 87 9.961 -14.633 0.717 1.00 0.00 O ATOM 1315 CB PHE A 87 7.365 -15.267 -0.827 1.00 0.00 C ATOM 1316 CG PHE A 87 6.807 -14.173 -1.739 1.00 0.00 C ATOM 1317 CD1 PHE A 87 6.305 -14.496 -2.961 1.00 0.00 C ATOM 1318 CD2 PHE A 87 6.812 -12.876 -1.328 1.00 0.00 C ATOM 1319 CE1 PHE A 87 5.788 -13.481 -3.808 1.00 0.00 C ATOM 1320 CE2 PHE A 87 6.294 -11.861 -2.175 1.00 0.00 C ATOM 1321 CZ PHE A 87 5.793 -12.184 -3.397 1.00 0.00 C ATOM 0 H PHE A 87 8.785 -17.055 0.425 1.00 0.00 H new ATOM 0 HA PHE A 87 9.014 -15.670 -2.201 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.739 -16.155 -0.916 1.00 0.00 H new ATOM 0 HB3 PHE A 87 7.298 -14.932 0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.300 -15.526 -3.287 1.00 0.00 H new ATOM 0 HD2 PHE A 87 7.210 -12.619 -0.358 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.391 -13.738 -4.779 1.00 0.00 H new ATOM 0 HE2 PHE A 87 6.298 -10.832 -1.848 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.399 -11.412 -4.041 1.00 0.00 H new ATOM 1331 N THR A 88 10.277 -13.746 -1.339 1.00 0.00 N ATOM 1332 CA THR A 88 11.181 -12.708 -0.874 1.00 0.00 C ATOM 1333 C THR A 88 10.887 -11.386 -1.587 1.00 0.00 C ATOM 1334 O THR A 88 11.028 -11.289 -2.805 1.00 0.00 O ATOM 1335 CB THR A 88 12.614 -13.203 -1.080 1.00 0.00 C ATOM 1336 OG1 THR A 88 12.965 -13.781 0.175 1.00 0.00 O ATOM 1337 CG2 THR A 88 13.611 -12.055 -1.253 1.00 0.00 C ATOM 0 H THR A 88 10.098 -13.737 -2.343 1.00 0.00 H new ATOM 0 HA THR A 88 11.040 -12.507 0.188 1.00 0.00 H new ATOM 0 HB THR A 88 12.652 -13.852 -1.955 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.176 -14.207 0.571 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.612 -12.461 -1.396 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.333 -11.460 -2.123 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.598 -11.425 -0.364 1.00 0.00 H new ATOM 1345 N LEU A 89 10.483 -10.402 -0.796 1.00 0.00 N ATOM 1346 CA LEU A 89 10.168 -9.091 -1.336 1.00 0.00 C ATOM 1347 C LEU A 89 11.432 -8.229 -1.341 1.00 0.00 C ATOM 1348 O LEU A 89 11.803 -7.659 -0.315 1.00 0.00 O ATOM 1349 CB LEU A 89 8.999 -8.464 -0.573 1.00 0.00 C ATOM 1350 CG LEU A 89 8.628 -7.034 -0.972 1.00 0.00 C ATOM 1351 CD1 LEU A 89 8.086 -6.987 -2.402 1.00 0.00 C ATOM 1352 CD2 LEU A 89 7.649 -6.422 0.033 1.00 0.00 C ATOM 0 H LEU A 89 10.367 -10.487 0.214 1.00 0.00 H new ATOM 0 HA LEU A 89 9.835 -9.175 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.122 -9.097 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.238 -8.473 0.490 1.00 0.00 H new ATOM 0 HG LEU A 89 9.533 -6.427 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.830 -5.960 -2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.845 -7.356 -3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.196 -7.612 -2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.401 -5.406 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.740 -7.023 0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.108 -6.401 1.022 1.00 0.00 H new ATOM 1364 N LYS A 90 12.059 -8.160 -2.506 1.00 0.00 N ATOM 1365 CA LYS A 90 13.273 -7.377 -2.657 1.00 0.00 C ATOM 1366 C LYS A 90 13.050 -5.979 -2.077 1.00 0.00 C ATOM 1367 O LYS A 90 11.916 -5.595 -1.794 1.00 0.00 O ATOM 1368 CB LYS A 90 13.728 -7.370 -4.118 1.00 0.00 C ATOM 1369 CG LYS A 90 14.167 -8.768 -4.562 1.00 0.00 C ATOM 1370 CD LYS A 90 15.519 -8.717 -5.275 1.00 0.00 C ATOM 1371 CE LYS A 90 16.631 -8.298 -4.311 1.00 0.00 C ATOM 1372 NZ LYS A 90 17.621 -7.442 -5.003 1.00 0.00 N ATOM 0 H LYS A 90 11.749 -8.634 -3.354 1.00 0.00 H new ATOM 0 HA LYS A 90 14.089 -7.830 -2.094 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.915 -7.021 -4.754 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.553 -6.669 -4.242 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.234 -9.425 -3.695 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.417 -9.194 -5.228 1.00 0.00 H new ATOM 0 HD2 LYS A 90 15.749 -9.695 -5.698 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.469 -8.014 -6.107 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.204 -7.759 -3.465 1.00 0.00 H new ATOM 0 HE3 LYS A 90 17.124 -9.183 -3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 18.369 -7.166 -4.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 18.041 -7.968 -5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.149 -6.589 -5.366 1.00 0.00 H new ATOM 1386 N ALA A 91 14.149 -5.256 -1.917 1.00 0.00 N ATOM 1387 CA ALA A 91 14.086 -3.909 -1.375 1.00 0.00 C ATOM 1388 C ALA A 91 13.589 -2.951 -2.459 1.00 0.00 C ATOM 1389 O ALA A 91 14.017 -3.034 -3.610 1.00 0.00 O ATOM 1390 CB ALA A 91 15.461 -3.513 -0.833 1.00 0.00 C ATOM 0 H ALA A 91 15.088 -5.577 -2.153 1.00 0.00 H new ATOM 0 HA ALA A 91 13.382 -3.861 -0.545 1.00 0.00 H new ATOM 0 HB1 ALA A 91 15.415 -2.503 -0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.756 -4.208 -0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.193 -3.546 -1.640 1.00 0.00 H new ATOM 1396 N GLY A 92 12.693 -2.063 -2.054 1.00 0.00 N ATOM 1397 CA GLY A 92 12.133 -1.090 -2.976 1.00 0.00 C ATOM 1398 C GLY A 92 11.164 -1.757 -3.955 1.00 0.00 C ATOM 1399 O GLY A 92 10.678 -1.117 -4.886 1.00 0.00 O ATOM 0 H GLY A 92 12.341 -1.997 -1.099 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.613 -0.312 -2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.936 -0.603 -3.529 1.00 0.00 H new ATOM 1403 N GLN A 93 10.911 -3.034 -3.710 1.00 0.00 N ATOM 1404 CA GLN A 93 10.009 -3.795 -4.558 1.00 0.00 C ATOM 1405 C GLN A 93 8.576 -3.698 -4.030 1.00 0.00 C ATOM 1406 O GLN A 93 8.343 -3.145 -2.956 1.00 0.00 O ATOM 1407 CB GLN A 93 10.456 -5.254 -4.665 1.00 0.00 C ATOM 1408 CG GLN A 93 11.027 -5.552 -6.053 1.00 0.00 C ATOM 1409 CD GLN A 93 12.067 -4.504 -6.455 1.00 0.00 C ATOM 1410 OE1 GLN A 93 13.142 -4.481 -5.673 1.00 0.00 O flip ATOM 1411 NE2 GLN A 93 11.904 -3.766 -7.413 1.00 0.00 N flip ATOM 0 H GLN A 93 11.315 -3.561 -2.936 1.00 0.00 H new ATOM 0 HA GLN A 93 10.036 -3.367 -5.560 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.209 -5.464 -3.905 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.610 -5.913 -4.467 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.483 -6.542 -6.058 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.220 -5.569 -6.786 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.054 -3.836 -7.972 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.618 -3.079 -7.655 1.00 0.00 H new ATOM 1420 N VAL A 94 7.654 -4.244 -4.809 1.00 0.00 N ATOM 1421 CA VAL A 94 6.251 -4.226 -4.433 1.00 0.00 C ATOM 1422 C VAL A 94 5.594 -5.538 -4.867 1.00 0.00 C ATOM 1423 O VAL A 94 6.092 -6.219 -5.762 1.00 0.00 O ATOM 1424 CB VAL A 94 5.567 -2.991 -5.024 1.00 0.00 C ATOM 1425 CG1 VAL A 94 5.523 -3.068 -6.552 1.00 0.00 C ATOM 1426 CG2 VAL A 94 4.163 -2.812 -4.444 1.00 0.00 C ATOM 0 H VAL A 94 7.851 -4.702 -5.699 1.00 0.00 H new ATOM 0 HA VAL A 94 6.147 -4.153 -3.350 1.00 0.00 H new ATOM 0 HB VAL A 94 6.157 -2.117 -4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.032 -2.179 -6.947 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.539 -3.126 -6.943 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.967 -3.955 -6.856 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.699 -1.927 -4.880 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.559 -3.690 -4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.229 -2.691 -3.363 1.00 0.00 H new ATOM 1436 N VAL A 95 4.487 -5.854 -4.211 1.00 0.00 N ATOM 1437 CA VAL A 95 3.757 -7.072 -4.517 1.00 0.00 C ATOM 1438 C VAL A 95 2.258 -6.819 -4.350 1.00 0.00 C ATOM 1439 O VAL A 95 1.841 -6.131 -3.420 1.00 0.00 O ATOM 1440 CB VAL A 95 4.271 -8.222 -3.648 1.00 0.00 C ATOM 1441 CG1 VAL A 95 4.549 -7.748 -2.220 1.00 0.00 C ATOM 1442 CG2 VAL A 95 3.289 -9.395 -3.655 1.00 0.00 C ATOM 0 H VAL A 95 4.078 -5.287 -3.468 1.00 0.00 H new ATOM 0 HA VAL A 95 3.922 -7.367 -5.553 1.00 0.00 H new ATOM 0 HB VAL A 95 5.212 -8.570 -4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.913 -8.584 -1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.302 -6.960 -2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.630 -7.361 -1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.678 -10.199 -3.030 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.326 -9.066 -3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.162 -9.757 -4.675 1.00 0.00 H new ATOM 1452 N THR A 96 1.488 -7.390 -5.264 1.00 0.00 N ATOM 1453 CA THR A 96 0.044 -7.236 -5.229 1.00 0.00 C ATOM 1454 C THR A 96 -0.630 -8.578 -4.939 1.00 0.00 C ATOM 1455 O THR A 96 -0.301 -9.588 -5.560 1.00 0.00 O ATOM 1456 CB THR A 96 -0.397 -6.609 -6.554 1.00 0.00 C ATOM 1457 OG1 THR A 96 0.668 -5.723 -6.890 1.00 0.00 O ATOM 1458 CG2 THR A 96 -1.609 -5.689 -6.392 1.00 0.00 C ATOM 0 H THR A 96 1.837 -7.961 -6.034 1.00 0.00 H new ATOM 0 HA THR A 96 -0.263 -6.573 -4.420 1.00 0.00 H new ATOM 0 HB THR A 96 -0.633 -7.398 -7.268 1.00 0.00 H new ATOM 0 HG1 THR A 96 0.466 -5.275 -7.738 1.00 0.00 H new ATOM 0 HG21 THR A 96 -1.880 -5.271 -7.361 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.449 -6.260 -5.995 1.00 0.00 H new ATOM 0 HG23 THR A 96 -1.363 -4.880 -5.704 1.00 0.00 H new ATOM 1466 N ILE A 97 -1.560 -8.546 -3.996 1.00 0.00 N ATOM 1467 CA ILE A 97 -2.282 -9.748 -3.616 1.00 0.00 C ATOM 1468 C ILE A 97 -3.768 -9.566 -3.931 1.00 0.00 C ATOM 1469 O ILE A 97 -4.552 -9.202 -3.055 1.00 0.00 O ATOM 1470 CB ILE A 97 -2.002 -10.102 -2.154 1.00 0.00 C ATOM 1471 CG1 ILE A 97 -0.498 -10.136 -1.876 1.00 0.00 C ATOM 1472 CG2 ILE A 97 -2.687 -11.414 -1.766 1.00 0.00 C ATOM 1473 CD1 ILE A 97 0.022 -8.748 -1.497 1.00 0.00 C ATOM 0 H ILE A 97 -1.830 -7.706 -3.484 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.934 -10.601 -4.198 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.427 -9.319 -1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.290 -10.839 -1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.030 -10.498 -2.758 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.472 -11.642 -0.722 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.764 -11.316 -1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.314 -12.220 -2.398 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.094 -8.801 -1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.166 -8.053 -2.315 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.491 -8.400 -0.600 1.00 0.00 H new ATOM 1485 N TRP A 98 -4.111 -9.827 -5.184 1.00 0.00 N ATOM 1486 CA TRP A 98 -5.489 -9.697 -5.625 1.00 0.00 C ATOM 1487 C TRP A 98 -6.300 -10.824 -4.983 1.00 0.00 C ATOM 1488 O TRP A 98 -5.733 -11.794 -4.482 1.00 0.00 O ATOM 1489 CB TRP A 98 -5.578 -9.691 -7.152 1.00 0.00 C ATOM 1490 CG TRP A 98 -4.658 -8.670 -7.825 1.00 0.00 C ATOM 1491 CD1 TRP A 98 -3.347 -8.782 -8.079 1.00 0.00 C ATOM 1492 CD2 TRP A 98 -5.036 -7.369 -8.323 1.00 0.00 C ATOM 1493 NE1 TRP A 98 -2.854 -7.654 -8.701 1.00 0.00 N ATOM 1494 CE2 TRP A 98 -3.913 -6.767 -8.855 1.00 0.00 C ATOM 1495 CE3 TRP A 98 -6.284 -6.723 -8.325 1.00 0.00 C ATOM 1496 CZ2 TRP A 98 -3.927 -5.489 -9.427 1.00 0.00 C ATOM 1497 CZ3 TRP A 98 -6.281 -5.447 -8.900 1.00 0.00 C ATOM 1498 CH2 TRP A 98 -5.160 -4.827 -9.440 1.00 0.00 C ATOM 0 H TRP A 98 -3.458 -10.128 -5.908 1.00 0.00 H new ATOM 0 HA TRP A 98 -5.907 -8.742 -5.306 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -5.333 -10.686 -7.524 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -6.608 -9.486 -7.445 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -2.751 -9.647 -7.828 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -1.889 -7.499 -8.994 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -7.175 -7.175 -7.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -3.035 -5.039 -9.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -7.215 -4.906 -8.926 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -5.240 -3.839 -9.868 1.00 0.00 H new ATOM 1509 N ALA A 99 -7.614 -10.660 -5.020 1.00 0.00 N ATOM 1510 CA ALA A 99 -8.509 -11.652 -4.448 1.00 0.00 C ATOM 1511 C ALA A 99 -9.243 -12.380 -5.576 1.00 0.00 C ATOM 1512 O ALA A 99 -9.698 -11.753 -6.532 1.00 0.00 O ATOM 1513 CB ALA A 99 -9.469 -10.971 -3.471 1.00 0.00 C ATOM 0 H ALA A 99 -8.081 -9.855 -5.437 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.947 -12.397 -3.885 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.140 -11.715 -3.042 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.899 -10.494 -2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.053 -10.218 -4.000 1.00 0.00 H new ATOM 1519 N SER A 100 -9.337 -13.693 -5.427 1.00 0.00 N ATOM 1520 CA SER A 100 -10.008 -14.513 -6.420 1.00 0.00 C ATOM 1521 C SER A 100 -11.259 -13.797 -6.932 1.00 0.00 C ATOM 1522 O SER A 100 -11.643 -13.959 -8.089 1.00 0.00 O ATOM 1523 CB SER A 100 -10.378 -15.882 -5.846 1.00 0.00 C ATOM 1524 OG SER A 100 -11.315 -16.571 -6.669 1.00 0.00 O ATOM 0 H SER A 100 -8.959 -14.209 -4.633 1.00 0.00 H new ATOM 0 HA SER A 100 -9.322 -14.671 -7.252 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.477 -16.486 -5.739 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.797 -15.755 -4.848 1.00 0.00 H new ATOM 0 HG SER A 100 -11.524 -17.441 -6.269 1.00 0.00 H new ATOM 1530 N GLY A 101 -11.861 -13.019 -6.044 1.00 0.00 N ATOM 1531 CA GLY A 101 -13.061 -12.276 -6.391 1.00 0.00 C ATOM 1532 C GLY A 101 -12.722 -10.835 -6.776 1.00 0.00 C ATOM 1533 O GLY A 101 -13.203 -9.892 -6.149 1.00 0.00 O ATOM 0 H GLY A 101 -11.540 -12.887 -5.085 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.570 -12.767 -7.220 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.751 -12.278 -5.547 1.00 0.00 H new ATOM 1537 N ALA A 102 -11.897 -10.710 -7.805 1.00 0.00 N ATOM 1538 CA ALA A 102 -11.488 -9.399 -8.281 1.00 0.00 C ATOM 1539 C ALA A 102 -11.369 -9.429 -9.806 1.00 0.00 C ATOM 1540 O ALA A 102 -11.875 -8.540 -10.489 1.00 0.00 O ATOM 1541 CB ALA A 102 -10.177 -8.995 -7.602 1.00 0.00 C ATOM 0 H ALA A 102 -11.501 -11.495 -8.322 1.00 0.00 H new ATOM 0 HA ALA A 102 -12.234 -8.647 -8.023 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.870 -8.012 -7.959 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.322 -8.960 -6.522 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.404 -9.725 -7.841 1.00 0.00 H new ATOM 1547 N GLY A 103 -10.698 -10.461 -10.295 1.00 0.00 N ATOM 1548 CA GLY A 103 -10.507 -10.619 -11.727 1.00 0.00 C ATOM 1549 C GLY A 103 -9.045 -10.384 -12.114 1.00 0.00 C ATOM 1550 O GLY A 103 -8.719 -10.299 -13.297 1.00 0.00 O ATOM 0 H GLY A 103 -10.280 -11.196 -9.725 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.811 -11.621 -12.030 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.146 -9.917 -12.263 1.00 0.00 H new ATOM 1554 N ALA A 104 -8.205 -10.284 -11.094 1.00 0.00 N ATOM 1555 CA ALA A 104 -6.786 -10.060 -11.313 1.00 0.00 C ATOM 1556 C ALA A 104 -6.186 -11.274 -12.024 1.00 0.00 C ATOM 1557 O ALA A 104 -6.915 -12.158 -12.473 1.00 0.00 O ATOM 1558 CB ALA A 104 -6.103 -9.771 -9.975 1.00 0.00 C ATOM 0 H ALA A 104 -8.480 -10.354 -10.114 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.629 -9.192 -11.954 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.039 -9.603 -10.139 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.546 -8.882 -9.525 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.237 -10.622 -9.307 1.00 0.00 H new ATOM 1564 N THR A 105 -4.864 -11.279 -12.105 1.00 0.00 N ATOM 1565 CA THR A 105 -4.157 -12.371 -12.754 1.00 0.00 C ATOM 1566 C THR A 105 -2.924 -12.766 -11.940 1.00 0.00 C ATOM 1567 O THR A 105 -2.054 -11.936 -11.681 1.00 0.00 O ATOM 1568 CB THR A 105 -3.829 -11.937 -14.184 1.00 0.00 C ATOM 1569 OG1 THR A 105 -4.944 -12.387 -14.948 1.00 0.00 O ATOM 1570 CG2 THR A 105 -2.642 -12.704 -14.770 1.00 0.00 C ATOM 0 H THR A 105 -4.263 -10.544 -11.732 1.00 0.00 H new ATOM 0 HA THR A 105 -4.774 -13.268 -12.805 1.00 0.00 H new ATOM 0 HB THR A 105 -3.614 -10.868 -14.199 1.00 0.00 H new ATOM 0 HG1 THR A 105 -5.727 -12.473 -14.365 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.451 -12.358 -15.786 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.758 -12.531 -14.156 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.870 -13.770 -14.787 1.00 0.00 H new ATOM 1578 N HIS A 106 -2.887 -14.035 -11.560 1.00 0.00 N ATOM 1579 CA HIS A 106 -1.774 -14.551 -10.781 1.00 0.00 C ATOM 1580 C HIS A 106 -0.466 -14.325 -11.543 1.00 0.00 C ATOM 1581 O HIS A 106 -0.075 -15.147 -12.370 1.00 0.00 O ATOM 1582 CB HIS A 106 -2.001 -16.019 -10.416 1.00 0.00 C ATOM 1583 CG HIS A 106 -1.144 -16.506 -9.272 1.00 0.00 C ATOM 1584 ND1 HIS A 106 -1.517 -16.373 -7.946 1.00 0.00 N ATOM 1585 CD2 HIS A 106 0.070 -17.128 -9.269 1.00 0.00 C ATOM 1586 CE1 HIS A 106 -0.563 -16.894 -7.188 1.00 0.00 C ATOM 1587 NE2 HIS A 106 0.420 -17.361 -8.010 1.00 0.00 N ATOM 0 H HIS A 106 -3.610 -14.721 -11.777 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.703 -14.009 -9.838 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -3.050 -16.160 -10.157 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -1.804 -16.636 -11.293 1.00 0.00 H new ATOM 0 HD2 HIS A 106 0.649 -17.387 -10.143 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -0.564 -16.941 -6.109 1.00 0.00 H new ATOM 0 HE2 HIS A 106 1.282 -17.815 -7.707 1.00 0.00 H new ATOM 1595 N SER A 107 0.174 -13.206 -11.236 1.00 0.00 N ATOM 1596 CA SER A 107 1.430 -12.861 -11.881 1.00 0.00 C ATOM 1597 C SER A 107 2.484 -12.520 -10.826 1.00 0.00 C ATOM 1598 O SER A 107 2.895 -11.367 -10.704 1.00 0.00 O ATOM 1599 CB SER A 107 1.248 -11.690 -12.849 1.00 0.00 C ATOM 1600 OG SER A 107 1.253 -12.115 -14.209 1.00 0.00 O ATOM 0 H SER A 107 -0.154 -12.527 -10.549 1.00 0.00 H new ATOM 0 HA SER A 107 1.768 -13.723 -12.456 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.308 -11.183 -12.631 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.046 -10.964 -12.693 1.00 0.00 H new ATOM 0 HG SER A 107 1.133 -11.339 -14.795 1.00 0.00 H new ATOM 1606 N PRO A 108 2.901 -13.571 -10.070 1.00 0.00 N ATOM 1607 CA PRO A 108 3.900 -13.394 -9.029 1.00 0.00 C ATOM 1608 C PRO A 108 5.296 -13.227 -9.631 1.00 0.00 C ATOM 1609 O PRO A 108 5.490 -13.439 -10.827 1.00 0.00 O ATOM 1610 CB PRO A 108 3.775 -14.628 -8.151 1.00 0.00 C ATOM 1611 CG PRO A 108 3.041 -15.663 -8.988 1.00 0.00 C ATOM 1612 CD PRO A 108 2.436 -14.950 -10.186 1.00 0.00 C ATOM 0 HA PRO A 108 3.743 -12.488 -8.444 1.00 0.00 H new ATOM 0 HB2 PRO A 108 4.757 -14.994 -7.850 1.00 0.00 H new ATOM 0 HB3 PRO A 108 3.225 -14.403 -7.237 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.726 -16.445 -9.315 1.00 0.00 H new ATOM 0 HG3 PRO A 108 2.262 -16.148 -8.399 1.00 0.00 H new ATOM 0 HD2 PRO A 108 2.764 -15.401 -11.122 1.00 0.00 H new ATOM 0 HD3 PRO A 108 1.347 -15.004 -10.171 1.00 0.00 H new ATOM 1620 N PRO A 109 6.258 -12.838 -8.752 1.00 0.00 N ATOM 1621 CA PRO A 109 5.945 -12.608 -7.353 1.00 0.00 C ATOM 1622 C PRO A 109 5.195 -11.287 -7.169 1.00 0.00 C ATOM 1623 O PRO A 109 4.668 -11.013 -6.092 1.00 0.00 O ATOM 1624 CB PRO A 109 7.287 -12.634 -6.639 1.00 0.00 C ATOM 1625 CG PRO A 109 8.336 -12.413 -7.717 1.00 0.00 C ATOM 1626 CD PRO A 109 7.666 -12.609 -9.067 1.00 0.00 C ATOM 0 HA PRO A 109 5.276 -13.364 -6.942 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.340 -11.856 -5.877 1.00 0.00 H new ATOM 0 HB3 PRO A 109 7.442 -13.587 -6.133 1.00 0.00 H new ATOM 0 HG2 PRO A 109 8.756 -11.410 -7.641 1.00 0.00 H new ATOM 0 HG3 PRO A 109 9.162 -13.114 -7.595 1.00 0.00 H new ATOM 0 HD2 PRO A 109 7.792 -11.733 -9.703 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.095 -13.456 -9.603 1.00 0.00 H new ATOM 1634 N THR A 110 5.171 -10.504 -8.237 1.00 0.00 N ATOM 1635 CA THR A 110 4.494 -9.218 -8.207 1.00 0.00 C ATOM 1636 C THR A 110 3.008 -9.405 -7.897 1.00 0.00 C ATOM 1637 O THR A 110 2.608 -9.408 -6.733 1.00 0.00 O ATOM 1638 CB THR A 110 4.753 -8.517 -9.542 1.00 0.00 C ATOM 1639 OG1 THR A 110 4.325 -9.461 -10.519 1.00 0.00 O ATOM 1640 CG2 THR A 110 6.245 -8.334 -9.828 1.00 0.00 C ATOM 0 H THR A 110 5.609 -10.735 -9.129 1.00 0.00 H new ATOM 0 HA THR A 110 4.883 -8.584 -7.410 1.00 0.00 H new ATOM 0 HB THR A 110 4.262 -7.544 -9.542 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.064 -10.295 -10.076 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.373 -7.832 -10.787 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.695 -7.731 -9.040 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.731 -9.309 -9.861 1.00 0.00 H new ATOM 1648 N ASP A 111 2.229 -9.557 -8.958 1.00 0.00 N ATOM 1649 CA ASP A 111 0.795 -9.744 -8.813 1.00 0.00 C ATOM 1650 C ASP A 111 0.520 -11.149 -8.274 1.00 0.00 C ATOM 1651 O ASP A 111 1.204 -12.103 -8.642 1.00 0.00 O ATOM 1652 CB ASP A 111 0.084 -9.607 -10.161 1.00 0.00 C ATOM 1653 CG ASP A 111 -0.180 -8.168 -10.610 1.00 0.00 C ATOM 1654 OD1 ASP A 111 0.456 -7.265 -10.024 1.00 0.00 O ATOM 1655 OD2 ASP A 111 -1.011 -8.003 -11.528 1.00 0.00 O ATOM 0 H ASP A 111 2.564 -9.554 -9.922 1.00 0.00 H new ATOM 0 HA ASP A 111 0.422 -8.982 -8.129 1.00 0.00 H new ATOM 0 HB2 ASP A 111 0.683 -10.105 -10.923 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -0.868 -10.136 -10.108 1.00 0.00 H new ATOM 1660 N LEU A 112 -0.482 -11.231 -7.411 1.00 0.00 N ATOM 1661 CA LEU A 112 -0.855 -12.504 -6.818 1.00 0.00 C ATOM 1662 C LEU A 112 -2.381 -12.610 -6.768 1.00 0.00 C ATOM 1663 O LEU A 112 -3.082 -11.614 -6.938 1.00 0.00 O ATOM 1664 CB LEU A 112 -0.182 -12.678 -5.455 1.00 0.00 C ATOM 1665 CG LEU A 112 1.223 -13.284 -5.473 1.00 0.00 C ATOM 1666 CD1 LEU A 112 1.874 -13.199 -4.091 1.00 0.00 C ATOM 1667 CD2 LEU A 112 1.195 -14.717 -6.007 1.00 0.00 C ATOM 0 H LEU A 112 -1.047 -10.437 -7.108 1.00 0.00 H new ATOM 0 HA LEU A 112 -0.497 -13.330 -7.432 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.129 -11.703 -4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.820 -13.308 -4.835 1.00 0.00 H new ATOM 0 HG LEU A 112 1.839 -12.699 -6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.872 -13.636 -4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.948 -12.155 -3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.267 -13.745 -3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.206 -15.124 -6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.558 -15.330 -5.370 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.801 -14.719 -7.023 1.00 0.00 H new ATOM 1679 N VAL A 113 -2.850 -13.827 -6.535 1.00 0.00 N ATOM 1680 CA VAL A 113 -4.280 -14.076 -6.461 1.00 0.00 C ATOM 1681 C VAL A 113 -4.575 -14.968 -5.253 1.00 0.00 C ATOM 1682 O VAL A 113 -4.027 -16.063 -5.136 1.00 0.00 O ATOM 1683 CB VAL A 113 -4.776 -14.672 -7.780 1.00 0.00 C ATOM 1684 CG1 VAL A 113 -6.232 -15.127 -7.663 1.00 0.00 C ATOM 1685 CG2 VAL A 113 -4.602 -13.679 -8.930 1.00 0.00 C ATOM 0 H VAL A 113 -2.266 -14.651 -6.395 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.824 -13.143 -6.317 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.168 -15.549 -8.001 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.560 -15.547 -8.614 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -6.315 -15.885 -6.884 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.860 -14.274 -7.407 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.962 -14.128 -9.856 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.172 -12.774 -8.719 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -3.547 -13.426 -9.036 1.00 0.00 H new ATOM 1695 N TRP A 114 -5.442 -14.466 -4.386 1.00 0.00 N ATOM 1696 CA TRP A 114 -5.818 -15.204 -3.191 1.00 0.00 C ATOM 1697 C TRP A 114 -6.966 -16.146 -3.559 1.00 0.00 C ATOM 1698 O TRP A 114 -8.114 -15.719 -3.664 1.00 0.00 O ATOM 1699 CB TRP A 114 -6.169 -14.251 -2.047 1.00 0.00 C ATOM 1700 CG TRP A 114 -6.222 -14.922 -0.673 1.00 0.00 C ATOM 1701 CD1 TRP A 114 -6.049 -16.218 -0.380 1.00 0.00 C ATOM 1702 CD2 TRP A 114 -6.475 -14.273 0.591 1.00 0.00 C ATOM 1703 NE1 TRP A 114 -6.170 -16.451 0.974 1.00 0.00 N ATOM 1704 CE2 TRP A 114 -6.438 -15.231 1.584 1.00 0.00 C ATOM 1705 CE3 TRP A 114 -6.727 -12.922 0.887 1.00 0.00 C ATOM 1706 CZ2 TRP A 114 -6.643 -14.941 2.938 1.00 0.00 C ATOM 1707 CZ3 TRP A 114 -6.930 -12.648 2.244 1.00 0.00 C ATOM 1708 CH2 TRP A 114 -6.896 -13.601 3.256 1.00 0.00 C ATOM 0 H TRP A 114 -5.895 -13.558 -4.487 1.00 0.00 H new ATOM 0 HA TRP A 114 -4.982 -15.801 -2.826 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.434 -13.447 -2.019 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -7.136 -13.792 -2.254 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -5.841 -16.984 -1.112 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -6.079 -17.353 1.442 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -6.761 -12.156 0.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -6.608 -15.709 3.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -7.127 -11.624 2.525 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -7.064 -13.309 4.282 1.00 0.00 H new ATOM 1719 N LYS A 115 -6.615 -17.410 -3.744 1.00 0.00 N ATOM 1720 CA LYS A 115 -7.602 -18.416 -4.097 1.00 0.00 C ATOM 1721 C LYS A 115 -8.353 -18.853 -2.837 1.00 0.00 C ATOM 1722 O LYS A 115 -9.565 -19.060 -2.873 1.00 0.00 O ATOM 1723 CB LYS A 115 -6.942 -19.572 -4.851 1.00 0.00 C ATOM 1724 CG LYS A 115 -6.450 -19.119 -6.228 1.00 0.00 C ATOM 1725 CD LYS A 115 -4.923 -19.032 -6.262 1.00 0.00 C ATOM 1726 CE LYS A 115 -4.403 -19.101 -7.699 1.00 0.00 C ATOM 1727 NZ LYS A 115 -4.112 -20.503 -8.078 1.00 0.00 N ATOM 0 H LYS A 115 -5.661 -17.760 -3.656 1.00 0.00 H new ATOM 0 HA LYS A 115 -8.342 -18.000 -4.781 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.104 -19.958 -4.270 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.654 -20.389 -4.966 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.795 -19.818 -6.990 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -6.879 -18.147 -6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -4.598 -18.101 -5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -4.495 -19.846 -5.677 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -5.142 -18.680 -8.380 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -3.501 -18.497 -7.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -3.760 -20.532 -9.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -3.390 -20.893 -7.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -4.981 -21.070 -8.006 1.00 0.00 H new ATOM 1741 N ALA A 116 -7.601 -18.980 -1.754 1.00 0.00 N ATOM 1742 CA ALA A 116 -8.180 -19.388 -0.485 1.00 0.00 C ATOM 1743 C ALA A 116 -9.373 -18.486 -0.160 1.00 0.00 C ATOM 1744 O ALA A 116 -10.342 -18.930 0.455 1.00 0.00 O ATOM 1745 CB ALA A 116 -7.106 -19.348 0.603 1.00 0.00 C ATOM 0 H ALA A 116 -6.596 -18.808 -1.729 1.00 0.00 H new ATOM 0 HA ALA A 116 -8.547 -20.413 -0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -7.541 -19.654 1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -6.295 -20.027 0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -6.716 -18.334 0.692 1.00 0.00 H new ATOM 1751 N GLN A 117 -9.264 -17.237 -0.588 1.00 0.00 N ATOM 1752 CA GLN A 117 -10.321 -16.269 -0.351 1.00 0.00 C ATOM 1753 C GLN A 117 -10.866 -15.742 -1.679 1.00 0.00 C ATOM 1754 O GLN A 117 -10.289 -15.995 -2.736 1.00 0.00 O ATOM 1755 CB GLN A 117 -9.826 -15.122 0.533 1.00 0.00 C ATOM 1756 CG GLN A 117 -9.651 -15.583 1.982 1.00 0.00 C ATOM 1757 CD GLN A 117 -10.972 -16.100 2.556 1.00 0.00 C ATOM 1758 OE1 GLN A 117 -11.124 -17.267 2.876 1.00 0.00 O ATOM 1759 NE2 GLN A 117 -11.915 -15.169 2.667 1.00 0.00 N ATOM 0 H GLN A 117 -8.459 -16.873 -1.098 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.132 -16.768 0.179 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -8.877 -14.746 0.150 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -10.535 -14.295 0.494 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -8.898 -16.369 2.029 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.286 -14.755 2.589 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -11.721 -14.210 2.380 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -12.833 -15.414 3.039 1.00 0.00 H new ATOM 1768 N ASN A 118 -11.972 -15.018 -1.583 1.00 0.00 N ATOM 1769 CA ASN A 118 -12.601 -14.453 -2.765 1.00 0.00 C ATOM 1770 C ASN A 118 -12.514 -12.926 -2.703 1.00 0.00 C ATOM 1771 O ASN A 118 -12.513 -12.259 -3.736 1.00 0.00 O ATOM 1772 CB ASN A 118 -14.080 -14.839 -2.839 1.00 0.00 C ATOM 1773 CG ASN A 118 -14.304 -16.255 -2.306 1.00 0.00 C ATOM 1774 OD1 ASN A 118 -14.299 -16.341 -0.979 1.00 0.00 O flip ATOM 1775 ND2 ASN A 118 -14.471 -17.207 -3.051 1.00 0.00 N flip ATOM 0 H ASN A 118 -12.448 -14.810 -0.705 1.00 0.00 H new ATOM 0 HA ASN A 118 -12.082 -14.841 -3.642 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -14.674 -14.131 -2.261 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -14.425 -14.776 -3.871 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -14.463 -17.071 -4.062 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -14.618 -18.139 -2.663 1.00 0.00 H new ATOM 1782 N THR A 119 -12.442 -12.419 -1.481 1.00 0.00 N ATOM 1783 CA THR A 119 -12.354 -10.984 -1.271 1.00 0.00 C ATOM 1784 C THR A 119 -11.626 -10.680 0.039 1.00 0.00 C ATOM 1785 O THR A 119 -11.745 -11.429 1.008 1.00 0.00 O ATOM 1786 CB THR A 119 -13.772 -10.410 -1.326 1.00 0.00 C ATOM 1787 OG1 THR A 119 -13.587 -9.010 -1.138 1.00 0.00 O ATOM 1788 CG2 THR A 119 -14.623 -10.838 -0.129 1.00 0.00 C ATOM 0 H THR A 119 -12.443 -12.976 -0.627 1.00 0.00 H new ATOM 0 HA THR A 119 -11.764 -10.506 -2.052 1.00 0.00 H new ATOM 0 HB THR A 119 -14.257 -10.728 -2.249 1.00 0.00 H new ATOM 0 HG1 THR A 119 -12.966 -8.668 -1.815 1.00 0.00 H new ATOM 0 HG21 THR A 119 -15.619 -10.404 -0.217 1.00 0.00 H new ATOM 0 HG22 THR A 119 -14.701 -11.925 -0.108 1.00 0.00 H new ATOM 0 HG23 THR A 119 -14.156 -10.490 0.792 1.00 0.00 H new ATOM 1796 N TRP A 120 -10.888 -9.579 0.028 1.00 0.00 N ATOM 1797 CA TRP A 120 -10.141 -9.167 1.204 1.00 0.00 C ATOM 1798 C TRP A 120 -11.146 -8.775 2.289 1.00 0.00 C ATOM 1799 O TRP A 120 -10.786 -8.656 3.460 1.00 0.00 O ATOM 1800 CB TRP A 120 -9.159 -8.044 0.864 1.00 0.00 C ATOM 1801 CG TRP A 120 -7.804 -8.536 0.353 1.00 0.00 C ATOM 1802 CD1 TRP A 120 -7.368 -8.584 -0.914 1.00 0.00 C ATOM 1803 CD2 TRP A 120 -6.718 -9.050 1.152 1.00 0.00 C ATOM 1804 NE1 TRP A 120 -6.086 -9.089 -0.988 1.00 0.00 N ATOM 1805 CE2 TRP A 120 -5.678 -9.381 0.308 1.00 0.00 C ATOM 1806 CE3 TRP A 120 -6.618 -9.228 2.543 1.00 0.00 C ATOM 1807 CZ2 TRP A 120 -4.464 -9.912 0.759 1.00 0.00 C ATOM 1808 CZ3 TRP A 120 -5.398 -9.760 2.978 1.00 0.00 C ATOM 1809 CH2 TRP A 120 -4.341 -10.099 2.141 1.00 0.00 C ATOM 0 H TRP A 120 -10.792 -8.960 -0.777 1.00 0.00 H new ATOM 0 HA TRP A 120 -9.527 -9.986 1.578 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -9.608 -7.399 0.109 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -9.001 -7.433 1.752 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -7.947 -8.267 -1.769 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -5.538 -9.223 -1.838 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -7.419 -8.975 3.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -3.665 -10.164 0.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -5.269 -9.918 4.039 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -3.430 -10.505 2.555 1.00 0.00 H new ATOM 1820 N GLY A 121 -12.386 -8.585 1.863 1.00 0.00 N ATOM 1821 CA GLY A 121 -13.445 -8.209 2.783 1.00 0.00 C ATOM 1822 C GLY A 121 -13.830 -6.739 2.605 1.00 0.00 C ATOM 1823 O GLY A 121 -13.064 -5.957 2.043 1.00 0.00 O ATOM 0 H GLY A 121 -12.681 -8.685 0.892 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -14.318 -8.840 2.616 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -13.119 -8.382 3.809 1.00 0.00 H new ATOM 1827 N CYS A 122 -15.015 -6.408 3.095 1.00 0.00 N ATOM 1828 CA CYS A 122 -15.511 -5.045 2.997 1.00 0.00 C ATOM 1829 C CYS A 122 -16.641 -4.871 4.013 1.00 0.00 C ATOM 1830 O CYS A 122 -17.023 -5.824 4.691 1.00 0.00 O ATOM 1831 CB CYS A 122 -15.965 -4.709 1.575 1.00 0.00 C ATOM 1832 SG CYS A 122 -16.701 -6.188 0.787 1.00 0.00 S ATOM 0 H CYS A 122 -15.647 -7.059 3.561 1.00 0.00 H new ATOM 0 HA CYS A 122 -14.707 -4.345 3.226 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -16.694 -3.899 1.599 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -15.117 -4.358 0.987 1.00 0.00 H new ATOM 0 HG CYS A 122 -17.085 -5.891 -0.419 1.00 0.00 H new ATOM 1838 N GLY A 123 -17.145 -3.648 4.086 1.00 0.00 N ATOM 1839 CA GLY A 123 -18.224 -3.337 5.008 1.00 0.00 C ATOM 1840 C GLY A 123 -17.994 -1.984 5.685 1.00 0.00 C ATOM 1841 O GLY A 123 -18.181 -1.851 6.894 1.00 0.00 O ATOM 0 H GLY A 123 -16.826 -2.861 3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -19.173 -3.323 4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -18.297 -4.118 5.764 1.00 0.00 H new ATOM 1845 N SER A 124 -17.591 -1.015 4.877 1.00 0.00 N ATOM 1846 CA SER A 124 -17.334 0.323 5.383 1.00 0.00 C ATOM 1847 C SER A 124 -16.103 0.310 6.292 1.00 0.00 C ATOM 1848 O SER A 124 -15.092 0.938 5.982 1.00 0.00 O ATOM 1849 CB SER A 124 -18.546 0.868 6.140 1.00 0.00 C ATOM 1850 OG SER A 124 -19.769 0.320 5.655 1.00 0.00 O ATOM 0 H SER A 124 -17.436 -1.129 3.875 1.00 0.00 H new ATOM 0 HA SER A 124 -17.145 0.980 4.534 1.00 0.00 H new ATOM 0 HB2 SER A 124 -18.443 0.641 7.201 1.00 0.00 H new ATOM 0 HB3 SER A 124 -18.573 1.954 6.047 1.00 0.00 H new ATOM 0 HG SER A 124 -20.519 0.691 6.165 1.00 0.00 H new ATOM 1856 N SER A 125 -16.228 -0.412 7.395 1.00 0.00 N ATOM 1857 CA SER A 125 -15.139 -0.515 8.351 1.00 0.00 C ATOM 1858 C SER A 125 -14.171 -1.621 7.925 1.00 0.00 C ATOM 1859 O SER A 125 -14.596 -2.721 7.575 1.00 0.00 O ATOM 1860 CB SER A 125 -15.666 -0.785 9.761 1.00 0.00 C ATOM 1861 OG SER A 125 -16.567 -1.889 9.792 1.00 0.00 O ATOM 0 H SER A 125 -17.068 -0.932 7.648 1.00 0.00 H new ATOM 0 HA SER A 125 -14.608 0.437 8.368 1.00 0.00 H new ATOM 0 HB2 SER A 125 -14.828 -0.982 10.430 1.00 0.00 H new ATOM 0 HB3 SER A 125 -16.171 0.105 10.136 1.00 0.00 H new ATOM 0 HG SER A 125 -16.880 -2.030 10.710 1.00 0.00 H new ATOM 1867 N LEU A 126 -12.889 -1.291 7.968 1.00 0.00 N ATOM 1868 CA LEU A 126 -11.858 -2.243 7.590 1.00 0.00 C ATOM 1869 C LEU A 126 -10.630 -2.037 8.480 1.00 0.00 C ATOM 1870 O LEU A 126 -10.424 -0.950 9.017 1.00 0.00 O ATOM 1871 CB LEU A 126 -11.557 -2.141 6.094 1.00 0.00 C ATOM 1872 CG LEU A 126 -12.740 -1.775 5.195 1.00 0.00 C ATOM 1873 CD1 LEU A 126 -12.268 -1.042 3.938 1.00 0.00 C ATOM 1874 CD2 LEU A 126 -13.576 -3.012 4.857 1.00 0.00 C ATOM 0 H LEU A 126 -12.540 -0.378 8.259 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.203 -3.264 7.753 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -10.774 -1.397 5.951 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.154 -3.096 5.759 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.386 -1.090 5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -13.129 -0.794 3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -11.750 -0.126 4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -11.588 -1.683 3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -14.410 -2.724 4.217 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -12.954 -3.740 4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.960 -3.454 5.776 1.00 0.00 H new ATOM 1886 N ARG A 127 -9.847 -3.098 8.607 1.00 0.00 N ATOM 1887 CA ARG A 127 -8.645 -3.048 9.422 1.00 0.00 C ATOM 1888 C ARG A 127 -7.647 -4.112 8.961 1.00 0.00 C ATOM 1889 O ARG A 127 -7.785 -5.286 9.300 1.00 0.00 O ATOM 1890 CB ARG A 127 -8.972 -3.271 10.900 1.00 0.00 C ATOM 1891 CG ARG A 127 -7.943 -2.583 11.799 1.00 0.00 C ATOM 1892 CD ARG A 127 -8.549 -2.236 13.160 1.00 0.00 C ATOM 1893 NE ARG A 127 -7.526 -2.372 14.220 1.00 0.00 N ATOM 1894 CZ ARG A 127 -7.168 -3.539 14.773 1.00 0.00 C ATOM 1895 NH1 ARG A 127 -7.749 -4.677 14.371 1.00 0.00 N ATOM 1896 NH2 ARG A 127 -6.229 -3.567 15.729 1.00 0.00 N ATOM 0 H ARG A 127 -10.021 -3.998 8.159 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.205 -2.057 9.305 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -9.967 -2.884 11.118 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -8.991 -4.339 11.115 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -7.081 -3.236 11.937 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -7.582 -1.675 11.316 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -8.936 -1.217 13.146 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -9.392 -2.894 13.370 1.00 0.00 H new ATOM 0 HE ARG A 127 -7.064 -1.525 14.551 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -8.464 -4.655 13.644 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -7.476 -5.565 14.792 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -5.787 -2.700 16.035 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -5.956 -4.455 16.150 1.00 0.00 H new ATOM 1910 N THR A 128 -6.663 -3.662 8.196 1.00 0.00 N ATOM 1911 CA THR A 128 -5.642 -4.561 7.686 1.00 0.00 C ATOM 1912 C THR A 128 -4.389 -4.497 8.561 1.00 0.00 C ATOM 1913 O THR A 128 -4.221 -3.563 9.344 1.00 0.00 O ATOM 1914 CB THR A 128 -5.380 -4.197 6.223 1.00 0.00 C ATOM 1915 OG1 THR A 128 -6.585 -4.559 5.554 1.00 0.00 O ATOM 1916 CG2 THR A 128 -4.315 -5.087 5.579 1.00 0.00 C ATOM 0 H THR A 128 -6.551 -2.687 7.917 1.00 0.00 H new ATOM 0 HA THR A 128 -5.974 -5.598 7.724 1.00 0.00 H new ATOM 0 HB THR A 128 -5.068 -3.154 6.159 1.00 0.00 H new ATOM 0 HG1 THR A 128 -6.890 -3.809 5.001 1.00 0.00 H new ATOM 0 HG21 THR A 128 -4.168 -4.786 4.542 1.00 0.00 H new ATOM 0 HG22 THR A 128 -3.376 -4.983 6.123 1.00 0.00 H new ATOM 0 HG23 THR A 128 -4.641 -6.127 5.612 1.00 0.00 H new ATOM 1924 N ALA A 129 -3.541 -5.502 8.400 1.00 0.00 N ATOM 1925 CA ALA A 129 -2.308 -5.572 9.166 1.00 0.00 C ATOM 1926 C ALA A 129 -1.366 -6.588 8.517 1.00 0.00 C ATOM 1927 O ALA A 129 -1.817 -7.528 7.864 1.00 0.00 O ATOM 1928 CB ALA A 129 -2.630 -5.920 10.621 1.00 0.00 C ATOM 0 H ALA A 129 -3.683 -6.275 7.750 1.00 0.00 H new ATOM 0 HA ALA A 129 -1.801 -4.607 9.167 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -1.705 -5.973 11.196 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.277 -5.152 11.044 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -3.137 -6.884 10.661 1.00 0.00 H new ATOM 1934 N LEU A 130 -0.076 -6.365 8.720 1.00 0.00 N ATOM 1935 CA LEU A 130 0.933 -7.250 8.163 1.00 0.00 C ATOM 1936 C LEU A 130 1.726 -7.893 9.303 1.00 0.00 C ATOM 1937 O LEU A 130 2.192 -7.202 10.207 1.00 0.00 O ATOM 1938 CB LEU A 130 1.805 -6.500 7.154 1.00 0.00 C ATOM 1939 CG LEU A 130 2.931 -7.310 6.508 1.00 0.00 C ATOM 1940 CD1 LEU A 130 2.397 -8.176 5.366 1.00 0.00 C ATOM 1941 CD2 LEU A 130 4.070 -6.397 6.051 1.00 0.00 C ATOM 0 H LEU A 130 0.294 -5.584 9.262 1.00 0.00 H new ATOM 0 HA LEU A 130 0.464 -8.060 7.604 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.161 -6.115 6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 130 2.246 -5.638 7.655 1.00 0.00 H new ATOM 0 HG LEU A 130 3.341 -7.985 7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.217 -8.741 4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.647 -8.866 5.753 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.945 -7.538 4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 130 4.857 -6.998 5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.692 -5.681 5.321 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.474 -5.861 6.910 1.00 0.00 H new ATOM 1953 N ILE A 131 1.854 -9.209 9.222 1.00 0.00 N ATOM 1954 CA ILE A 131 2.582 -9.954 10.235 1.00 0.00 C ATOM 1955 C ILE A 131 3.806 -10.613 9.596 1.00 0.00 C ATOM 1956 O ILE A 131 3.765 -11.011 8.433 1.00 0.00 O ATOM 1957 CB ILE A 131 1.653 -10.940 10.946 1.00 0.00 C ATOM 1958 CG1 ILE A 131 0.324 -10.276 11.312 1.00 0.00 C ATOM 1959 CG2 ILE A 131 2.340 -11.558 12.166 1.00 0.00 C ATOM 1960 CD1 ILE A 131 0.547 -9.076 12.235 1.00 0.00 C ATOM 0 H ILE A 131 1.466 -9.779 8.470 1.00 0.00 H new ATOM 0 HA ILE A 131 2.950 -9.283 11.011 1.00 0.00 H new ATOM 0 HB ILE A 131 1.427 -11.754 10.257 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -0.187 -9.952 10.405 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -0.326 -11.001 11.802 1.00 0.00 H new ATOM 0 HG21 ILE A 131 1.658 -12.255 12.653 1.00 0.00 H new ATOM 0 HG22 ILE A 131 3.237 -12.090 11.848 1.00 0.00 H new ATOM 0 HG23 ILE A 131 2.615 -10.770 12.867 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -0.413 -8.622 12.480 1.00 0.00 H new ATOM 0 HD12 ILE A 131 1.036 -9.407 13.151 1.00 0.00 H new ATOM 0 HD13 ILE A 131 1.177 -8.342 11.732 1.00 0.00 H new ATOM 1972 N ASN A 132 4.866 -10.708 10.385 1.00 0.00 N ATOM 1973 CA ASN A 132 6.100 -11.313 9.911 1.00 0.00 C ATOM 1974 C ASN A 132 6.104 -12.801 10.267 1.00 0.00 C ATOM 1975 O ASN A 132 5.096 -13.335 10.727 1.00 0.00 O ATOM 1976 CB ASN A 132 7.319 -10.665 10.571 1.00 0.00 C ATOM 1977 CG ASN A 132 7.221 -10.739 12.096 1.00 0.00 C ATOM 1978 OD1 ASN A 132 7.611 -11.711 12.722 1.00 0.00 O ATOM 1979 ND2 ASN A 132 6.681 -9.661 12.656 1.00 0.00 N ATOM 0 H ASN A 132 4.896 -10.376 11.349 1.00 0.00 H new ATOM 0 HA ASN A 132 6.154 -11.168 8.832 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.227 -11.166 10.237 1.00 0.00 H new ATOM 0 HB3 ASN A 132 7.396 -9.624 10.258 1.00 0.00 H new ATOM 0 HD21 ASN A 132 6.572 -9.613 13.669 1.00 0.00 H new ATOM 0 HD22 ASN A 132 6.375 -8.882 12.073 1.00 0.00 H new ATOM 1986 N SER A 133 7.249 -13.427 10.041 1.00 0.00 N ATOM 1987 CA SER A 133 7.397 -14.843 10.333 1.00 0.00 C ATOM 1988 C SER A 133 6.794 -15.162 11.702 1.00 0.00 C ATOM 1989 O SER A 133 6.124 -16.180 11.868 1.00 0.00 O ATOM 1990 CB SER A 133 8.868 -15.263 10.290 1.00 0.00 C ATOM 1991 OG SER A 133 9.134 -16.363 11.156 1.00 0.00 O ATOM 0 H SER A 133 8.083 -12.980 9.659 1.00 0.00 H new ATOM 0 HA SER A 133 6.863 -15.407 9.568 1.00 0.00 H new ATOM 0 HB2 SER A 133 9.139 -15.532 9.269 1.00 0.00 H new ATOM 0 HB3 SER A 133 9.495 -14.418 10.574 1.00 0.00 H new ATOM 0 HG SER A 133 10.083 -16.602 11.099 1.00 0.00 H new ATOM 1997 N THR A 134 7.053 -14.272 12.649 1.00 0.00 N ATOM 1998 CA THR A 134 6.543 -14.445 13.999 1.00 0.00 C ATOM 1999 C THR A 134 5.192 -13.744 14.153 1.00 0.00 C ATOM 2000 O THR A 134 4.863 -12.846 13.380 1.00 0.00 O ATOM 2001 CB THR A 134 7.607 -13.937 14.974 1.00 0.00 C ATOM 2002 OG1 THR A 134 7.437 -12.522 14.967 1.00 0.00 O ATOM 2003 CG2 THR A 134 9.029 -14.145 14.450 1.00 0.00 C ATOM 0 H THR A 134 7.609 -13.429 12.508 1.00 0.00 H new ATOM 0 HA THR A 134 6.354 -15.496 14.220 1.00 0.00 H new ATOM 0 HB THR A 134 7.495 -14.447 15.931 1.00 0.00 H new ATOM 0 HG1 THR A 134 7.222 -12.223 14.059 1.00 0.00 H new ATOM 0 HG21 THR A 134 9.745 -13.767 15.180 1.00 0.00 H new ATOM 0 HG22 THR A 134 9.205 -15.208 14.286 1.00 0.00 H new ATOM 0 HG23 THR A 134 9.152 -13.608 13.510 1.00 0.00 H new ATOM 2011 N GLY A 135 4.446 -14.181 15.157 1.00 0.00 N ATOM 2012 CA GLY A 135 3.139 -13.606 15.423 1.00 0.00 C ATOM 2013 C GLY A 135 3.263 -12.157 15.898 1.00 0.00 C ATOM 2014 O GLY A 135 2.877 -11.833 17.021 1.00 0.00 O ATOM 0 H GLY A 135 4.722 -14.927 15.796 1.00 0.00 H new ATOM 0 HA2 GLY A 135 2.530 -13.645 14.520 1.00 0.00 H new ATOM 0 HA3 GLY A 135 2.625 -14.198 16.180 1.00 0.00 H new ATOM 2018 N GLU A 136 3.802 -11.324 15.021 1.00 0.00 N ATOM 2019 CA GLU A 136 3.982 -9.917 15.336 1.00 0.00 C ATOM 2020 C GLU A 136 3.725 -9.058 14.097 1.00 0.00 C ATOM 2021 O GLU A 136 4.186 -9.384 13.004 1.00 0.00 O ATOM 2022 CB GLU A 136 5.378 -9.657 15.904 1.00 0.00 C ATOM 2023 CG GLU A 136 5.777 -8.190 15.728 1.00 0.00 C ATOM 2024 CD GLU A 136 7.152 -7.918 16.341 1.00 0.00 C ATOM 2025 OE1 GLU A 136 8.097 -8.640 15.957 1.00 0.00 O ATOM 2026 OE2 GLU A 136 7.227 -6.995 17.181 1.00 0.00 O ATOM 0 H GLU A 136 4.120 -11.597 14.091 1.00 0.00 H new ATOM 0 HA GLU A 136 3.257 -9.641 16.102 1.00 0.00 H new ATOM 0 HB2 GLU A 136 5.399 -9.919 16.962 1.00 0.00 H new ATOM 0 HB3 GLU A 136 6.104 -10.298 15.403 1.00 0.00 H new ATOM 0 HG2 GLU A 136 5.791 -7.938 14.668 1.00 0.00 H new ATOM 0 HG3 GLU A 136 5.032 -7.548 16.198 1.00 0.00 H new ATOM 2033 N GLU A 137 2.989 -7.977 14.308 1.00 0.00 N ATOM 2034 CA GLU A 137 2.665 -7.068 13.221 1.00 0.00 C ATOM 2035 C GLU A 137 3.816 -6.088 12.987 1.00 0.00 C ATOM 2036 O GLU A 137 4.496 -5.687 13.930 1.00 0.00 O ATOM 2037 CB GLU A 137 1.358 -6.322 13.501 1.00 0.00 C ATOM 2038 CG GLU A 137 0.888 -5.556 12.263 1.00 0.00 C ATOM 2039 CD GLU A 137 0.231 -4.231 12.655 1.00 0.00 C ATOM 2040 OE1 GLU A 137 -0.916 -4.290 13.148 1.00 0.00 O ATOM 2041 OE2 GLU A 137 0.891 -3.189 12.452 1.00 0.00 O ATOM 0 H GLU A 137 2.608 -7.710 15.215 1.00 0.00 H new ATOM 0 HA GLU A 137 2.523 -7.655 12.313 1.00 0.00 H new ATOM 0 HB2 GLU A 137 0.589 -7.031 13.808 1.00 0.00 H new ATOM 0 HB3 GLU A 137 1.501 -5.628 14.330 1.00 0.00 H new ATOM 0 HG2 GLU A 137 1.736 -5.365 11.605 1.00 0.00 H new ATOM 0 HG3 GLU A 137 0.180 -6.165 11.701 1.00 0.00 H new ATOM 2048 N VAL A 138 4.000 -5.732 11.724 1.00 0.00 N ATOM 2049 CA VAL A 138 5.058 -4.807 11.354 1.00 0.00 C ATOM 2050 C VAL A 138 4.436 -3.504 10.847 1.00 0.00 C ATOM 2051 O VAL A 138 4.976 -2.423 11.078 1.00 0.00 O ATOM 2052 CB VAL A 138 5.992 -5.461 10.334 1.00 0.00 C ATOM 2053 CG1 VAL A 138 7.015 -6.362 11.027 1.00 0.00 C ATOM 2054 CG2 VAL A 138 5.197 -6.239 9.284 1.00 0.00 C ATOM 0 H VAL A 138 3.434 -6.067 10.944 1.00 0.00 H new ATOM 0 HA VAL A 138 5.669 -4.559 12.222 1.00 0.00 H new ATOM 0 HB VAL A 138 6.537 -4.669 9.822 1.00 0.00 H new ATOM 0 HG11 VAL A 138 7.667 -6.815 10.280 1.00 0.00 H new ATOM 0 HG12 VAL A 138 7.613 -5.769 11.718 1.00 0.00 H new ATOM 0 HG13 VAL A 138 6.495 -7.146 11.578 1.00 0.00 H new ATOM 0 HG21 VAL A 138 5.884 -6.694 8.571 1.00 0.00 H new ATOM 0 HG22 VAL A 138 4.613 -7.018 9.774 1.00 0.00 H new ATOM 0 HG23 VAL A 138 4.526 -5.559 8.758 1.00 0.00 H new ATOM 2064 N ALA A 139 3.309 -3.650 10.166 1.00 0.00 N ATOM 2065 CA ALA A 139 2.608 -2.498 9.624 1.00 0.00 C ATOM 2066 C ALA A 139 1.099 -2.736 9.715 1.00 0.00 C ATOM 2067 O ALA A 139 0.651 -3.878 9.800 1.00 0.00 O ATOM 2068 CB ALA A 139 3.072 -2.247 8.188 1.00 0.00 C ATOM 0 H ALA A 139 2.864 -4.548 9.977 1.00 0.00 H new ATOM 0 HA ALA A 139 2.837 -1.603 10.202 1.00 0.00 H new ATOM 0 HB1 ALA A 139 2.546 -1.383 7.782 1.00 0.00 H new ATOM 0 HB2 ALA A 139 4.145 -2.055 8.181 1.00 0.00 H new ATOM 0 HB3 ALA A 139 2.856 -3.124 7.577 1.00 0.00 H new ATOM 2074 N MET A 140 0.358 -1.638 9.696 1.00 0.00 N ATOM 2075 CA MET A 140 -1.091 -1.712 9.776 1.00 0.00 C ATOM 2076 C MET A 140 -1.744 -0.650 8.889 1.00 0.00 C ATOM 2077 O MET A 140 -1.233 0.462 8.767 1.00 0.00 O ATOM 2078 CB MET A 140 -1.534 -1.509 11.226 1.00 0.00 C ATOM 2079 CG MET A 140 -1.253 -0.078 11.690 1.00 0.00 C ATOM 2080 SD MET A 140 -2.106 0.245 13.225 1.00 0.00 S ATOM 2081 CE MET A 140 -3.670 0.829 12.593 1.00 0.00 C ATOM 0 H MET A 140 0.734 -0.692 9.626 1.00 0.00 H new ATOM 0 HA MET A 140 -1.405 -2.695 9.425 1.00 0.00 H new ATOM 0 HB2 MET A 140 -2.599 -1.722 11.318 1.00 0.00 H new ATOM 0 HB3 MET A 140 -1.011 -2.214 11.872 1.00 0.00 H new ATOM 0 HG2 MET A 140 -0.181 0.066 11.823 1.00 0.00 H new ATOM 0 HG3 MET A 140 -1.578 0.631 10.928 1.00 0.00 H new ATOM 0 HE1 MET A 140 -4.455 0.627 13.321 1.00 0.00 H new ATOM 0 HE2 MET A 140 -3.611 1.902 12.412 1.00 0.00 H new ATOM 0 HE3 MET A 140 -3.900 0.315 11.660 1.00 0.00 H new ATOM 2091 N ARG A 141 -2.865 -1.030 8.294 1.00 0.00 N ATOM 2092 CA ARG A 141 -3.594 -0.124 7.422 1.00 0.00 C ATOM 2093 C ARG A 141 -5.077 -0.105 7.797 1.00 0.00 C ATOM 2094 O ARG A 141 -5.886 -0.796 7.180 1.00 0.00 O ATOM 2095 CB ARG A 141 -3.451 -0.537 5.956 1.00 0.00 C ATOM 2096 CG ARG A 141 -3.380 0.690 5.045 1.00 0.00 C ATOM 2097 CD ARG A 141 -2.628 0.370 3.752 1.00 0.00 C ATOM 2098 NE ARG A 141 -2.715 1.516 2.818 1.00 0.00 N ATOM 2099 CZ ARG A 141 -1.888 2.569 2.843 1.00 0.00 C ATOM 2100 NH1 ARG A 141 -0.906 2.629 3.752 1.00 0.00 N ATOM 2101 NH2 ARG A 141 -2.042 3.563 1.957 1.00 0.00 N ATOM 0 H ARG A 141 -3.287 -1.953 8.398 1.00 0.00 H new ATOM 0 HA ARG A 141 -3.171 0.872 7.550 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -2.552 -1.140 5.830 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -4.296 -1.161 5.666 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -4.388 1.031 4.809 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -2.882 1.507 5.567 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -1.584 0.150 3.974 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -3.050 -0.521 3.287 1.00 0.00 H new ATOM 0 HE ARG A 141 -3.451 1.502 2.112 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -0.788 1.872 4.426 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -0.276 3.431 3.770 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -2.789 3.517 1.264 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -1.412 4.365 1.976 1.00 0.00 H new ATOM 2115 N LYS A 142 -5.389 0.694 8.807 1.00 0.00 N ATOM 2116 CA LYS A 142 -6.761 0.813 9.271 1.00 0.00 C ATOM 2117 C LYS A 142 -7.536 1.736 8.329 1.00 0.00 C ATOM 2118 O LYS A 142 -6.969 2.671 7.765 1.00 0.00 O ATOM 2119 CB LYS A 142 -6.794 1.259 10.734 1.00 0.00 C ATOM 2120 CG LYS A 142 -8.230 1.305 11.260 1.00 0.00 C ATOM 2121 CD LYS A 142 -8.268 1.796 12.709 1.00 0.00 C ATOM 2122 CE LYS A 142 -9.692 1.752 13.266 1.00 0.00 C ATOM 2123 NZ LYS A 142 -9.957 2.942 14.105 1.00 0.00 N ATOM 0 H LYS A 142 -4.715 1.265 9.317 1.00 0.00 H new ATOM 0 HA LYS A 142 -7.257 -0.157 9.246 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -6.202 0.573 11.341 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.336 2.244 10.828 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -8.830 1.965 10.633 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -8.676 0.313 11.197 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -7.614 1.177 13.324 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -7.885 2.815 12.762 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -10.409 1.711 12.446 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -9.830 0.846 13.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -10.928 2.897 14.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -9.285 2.964 14.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -9.845 3.803 13.532 1.00 0.00 H new ATOM 2137 N LEU A 143 -8.820 1.442 8.187 1.00 0.00 N ATOM 2138 CA LEU A 143 -9.678 2.234 7.323 1.00 0.00 C ATOM 2139 C LEU A 143 -11.107 2.209 7.869 1.00 0.00 C ATOM 2140 O LEU A 143 -11.734 1.152 7.930 1.00 0.00 O ATOM 2141 CB LEU A 143 -9.565 1.757 5.873 1.00 0.00 C ATOM 2142 CG LEU A 143 -8.749 2.649 4.935 1.00 0.00 C ATOM 2143 CD1 LEU A 143 -7.352 2.070 4.706 1.00 0.00 C ATOM 2144 CD2 LEU A 143 -9.494 2.888 3.620 1.00 0.00 C ATOM 0 H LEU A 143 -9.287 0.666 8.656 1.00 0.00 H new ATOM 0 HA LEU A 143 -9.357 3.276 7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -9.121 0.761 5.872 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -10.571 1.658 5.464 1.00 0.00 H new ATOM 0 HG LEU A 143 -8.620 3.620 5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -6.793 2.723 4.036 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -6.829 1.994 5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -7.437 1.079 4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -8.892 3.525 2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -9.674 1.934 3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -10.447 3.376 3.825 1.00 0.00 H new ATOM 2156 N VAL A 144 -11.581 3.385 8.252 1.00 0.00 N ATOM 2157 CA VAL A 144 -12.924 3.511 8.791 1.00 0.00 C ATOM 2158 C VAL A 144 -13.719 4.504 7.941 1.00 0.00 C ATOM 2159 O VAL A 144 -13.298 5.646 7.757 1.00 0.00 O ATOM 2160 CB VAL A 144 -12.860 3.906 10.268 1.00 0.00 C ATOM 2161 CG1 VAL A 144 -14.255 3.901 10.898 1.00 0.00 C ATOM 2162 CG2 VAL A 144 -11.907 2.991 11.039 1.00 0.00 C ATOM 0 H VAL A 144 -11.059 4.260 8.200 1.00 0.00 H new ATOM 0 HA VAL A 144 -13.445 2.555 8.746 1.00 0.00 H new ATOM 0 HB VAL A 144 -12.470 4.922 10.327 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -14.181 4.185 11.948 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -14.894 4.612 10.374 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -14.685 2.902 10.822 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -11.880 3.293 12.086 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -12.255 1.960 10.968 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -10.906 3.066 10.614 1.00 0.00 H new ATOM 2172 N ARG A 145 -14.854 4.034 7.445 1.00 0.00 N ATOM 2173 CA ARG A 145 -15.711 4.866 6.618 1.00 0.00 C ATOM 2174 C ARG A 145 -16.501 5.844 7.489 1.00 0.00 C ATOM 2175 O ARG A 145 -16.836 5.533 8.631 1.00 0.00 O ATOM 2176 CB ARG A 145 -16.688 4.014 5.805 1.00 0.00 C ATOM 2177 CG ARG A 145 -17.588 4.892 4.934 1.00 0.00 C ATOM 2178 CD ARG A 145 -18.414 4.042 3.966 1.00 0.00 C ATOM 2179 NE ARG A 145 -18.995 4.899 2.909 1.00 0.00 N ATOM 2180 CZ ARG A 145 -19.557 4.430 1.786 1.00 0.00 C ATOM 2181 NH1 ARG A 145 -19.615 3.109 1.567 1.00 0.00 N ATOM 2182 NH2 ARG A 145 -20.059 5.282 0.882 1.00 0.00 N ATOM 0 H ARG A 145 -15.200 3.087 7.600 1.00 0.00 H new ATOM 0 HA ARG A 145 -15.072 5.420 5.931 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -16.133 3.319 5.175 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -17.301 3.414 6.478 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -18.254 5.478 5.568 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -16.978 5.600 4.372 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -17.785 3.273 3.517 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -19.209 3.529 4.507 1.00 0.00 H new ATOM 0 HE ARG A 145 -18.966 5.910 3.043 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -19.232 2.461 2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -20.043 2.752 0.713 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -20.013 6.287 1.048 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -20.487 4.925 0.027 1.00 0.00 H new