USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 878 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 75 SER OG : rot -138:sc= 1.07 USER MOD Set 1.2: A 83 HIS : no HE2:sc= -0.516 K(o=0.55,f=-3.2!) USER MOD Set 2.1: A 37 SER OG : rot -180:sc= 0.438 USER MOD Set 2.2: A 41 GLN : amide:sc= -1.91 X(o=-0.64,f=-0.69) USER MOD Set 2.3: A 45 THR OG1 : rot 69:sc= 0.825 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.36 (180deg=-0.104) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -147:sc= -2.55! (180deg=-3.59!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 1.05 K(o=1.1,f=-0.83) USER MOD Single : A 25 SER OG : rot -50:sc= 0.964 USER MOD Single : A 35 HIS : no HE2:sc= -4.85! C(o=-4.8!,f=-7.4!) USER MOD Single : A 43 GLN : amide:sc= -0.548 X(o=-0.55,f=-0.3) USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= 1.33 (180deg=1.12) USER MOD Single : A 53 GLN : amide:sc= -2.3! C(o=-2.3!,f=-4.2!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -136:sc= 1.23 (180deg=0.93) USER MOD Single : A 85 TYR OH : rot 30:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 72:sc= -2.83! USER MOD Single : A 108 GLN : amide:sc= -9.14! C(o=-9.1!,f=-7!) USER MOD Single : A 112 HIS : no HD1:sc= -0.603 K(o=-0.6,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.719 -3.741 14.876 1.00 0.00 N ATOM 2 CA MET A 1 7.733 -2.991 14.058 1.00 0.00 C ATOM 3 C MET A 1 8.288 -2.705 12.659 1.00 0.00 C ATOM 4 O MET A 1 8.890 -1.658 12.420 1.00 0.00 O ATOM 5 CB MET A 1 7.345 -1.678 14.755 1.00 0.00 C ATOM 6 CG MET A 1 6.706 -1.878 16.123 1.00 0.00 C ATOM 7 SD MET A 1 6.253 -0.323 16.919 1.00 0.00 S ATOM 8 CE MET A 1 5.584 -0.929 18.470 1.00 0.00 C ATOM 0 H1 MET A 1 8.365 -4.703 15.050 1.00 0.00 H new ATOM 0 H2 MET A 1 9.625 -3.792 14.368 1.00 0.00 H new ATOM 0 H3 MET A 1 8.859 -3.254 15.784 1.00 0.00 H new ATOM 0 HA MET A 1 6.841 -3.609 13.953 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.235 -1.059 14.866 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.653 -1.129 14.117 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.816 -2.498 16.016 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.398 -2.422 16.766 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.258 -0.086 19.079 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.735 -1.582 18.269 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.353 -1.487 19.005 1.00 0.00 H new ATOM 20 N THR A 2 8.115 -3.658 11.744 1.00 0.00 N ATOM 21 CA THR A 2 8.569 -3.490 10.357 1.00 0.00 C ATOM 22 C THR A 2 7.487 -2.818 9.506 1.00 0.00 C ATOM 23 O THR A 2 6.479 -3.437 9.170 1.00 0.00 O ATOM 24 CB THR A 2 8.941 -4.848 9.706 1.00 0.00 C ATOM 25 OG1 THR A 2 9.918 -5.537 10.506 1.00 0.00 O ATOM 26 CG2 THR A 2 9.489 -4.653 8.294 1.00 0.00 C ATOM 0 H THR A 2 7.665 -4.554 11.934 1.00 0.00 H new ATOM 0 HA THR A 2 9.457 -2.859 10.393 1.00 0.00 H new ATOM 0 HB THR A 2 8.031 -5.445 9.648 1.00 0.00 H new ATOM 0 HG1 THR A 2 10.142 -6.393 10.084 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.741 -5.623 7.864 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.735 -4.166 7.675 1.00 0.00 H new ATOM 0 HG23 THR A 2 10.383 -4.031 8.333 1.00 0.00 H new ATOM 34 N LEU A 3 7.691 -1.551 9.172 1.00 0.00 N ATOM 35 CA LEU A 3 6.728 -0.808 8.352 1.00 0.00 C ATOM 36 C LEU A 3 6.940 -1.073 6.856 1.00 0.00 C ATOM 37 O LEU A 3 7.990 -0.749 6.296 1.00 0.00 O ATOM 38 CB LEU A 3 6.821 0.704 8.630 1.00 0.00 C ATOM 39 CG LEU A 3 6.135 1.202 9.917 1.00 0.00 C ATOM 40 CD1 LEU A 3 4.633 0.935 9.866 1.00 0.00 C ATOM 41 CD2 LEU A 3 6.756 0.566 11.159 1.00 0.00 C ATOM 0 H LEU A 3 8.511 -1.012 9.452 1.00 0.00 H new ATOM 0 HA LEU A 3 5.733 -1.160 8.626 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.875 0.980 8.674 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.388 1.236 7.783 1.00 0.00 H new ATOM 0 HG LEU A 3 6.291 2.279 9.982 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.168 1.294 10.784 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.200 1.456 9.012 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.457 -0.136 9.765 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.250 0.938 12.050 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.648 -0.517 11.106 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.814 0.823 11.209 1.00 0.00 H new ATOM 53 N ILE A 4 5.942 -1.676 6.216 1.00 0.00 N ATOM 54 CA ILE A 4 5.955 -1.870 4.763 1.00 0.00 C ATOM 55 C ILE A 4 4.980 -0.895 4.079 1.00 0.00 C ATOM 56 O ILE A 4 3.813 -0.786 4.461 1.00 0.00 O ATOM 57 CB ILE A 4 5.624 -3.334 4.376 1.00 0.00 C ATOM 58 CG1 ILE A 4 4.311 -3.798 5.030 1.00 0.00 C ATOM 59 CG2 ILE A 4 6.777 -4.258 4.771 1.00 0.00 C ATOM 60 CD1 ILE A 4 3.937 -5.233 4.710 1.00 0.00 C ATOM 0 H ILE A 4 5.110 -2.041 6.680 1.00 0.00 H new ATOM 0 HA ILE A 4 6.965 -1.659 4.412 1.00 0.00 H new ATOM 0 HB ILE A 4 5.492 -3.379 3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.397 -3.688 6.111 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.503 -3.142 4.706 1.00 0.00 H new ATOM 0 HG21 ILE A 4 6.533 -5.284 4.494 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.685 -3.949 4.253 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.936 -4.201 5.848 1.00 0.00 H new ATOM 0 HD11 ILE A 4 3.000 -5.484 5.207 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.817 -5.346 3.633 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.724 -5.901 5.060 1.00 0.00 H new ATOM 72 N TYR A 5 5.473 -0.185 3.067 1.00 0.00 N ATOM 73 CA TYR A 5 4.750 0.956 2.493 1.00 0.00 C ATOM 74 C TYR A 5 4.232 0.678 1.069 1.00 0.00 C ATOM 75 O TYR A 5 4.721 -0.210 0.373 1.00 0.00 O ATOM 76 CB TYR A 5 5.677 2.180 2.446 1.00 0.00 C ATOM 77 CG TYR A 5 6.521 2.387 3.693 1.00 0.00 C ATOM 78 CD1 TYR A 5 7.738 1.730 3.841 1.00 0.00 C ATOM 79 CD2 TYR A 5 6.115 3.249 4.708 1.00 0.00 C ATOM 80 CE1 TYR A 5 8.522 1.921 4.962 1.00 0.00 C ATOM 81 CE2 TYR A 5 6.898 3.448 5.831 1.00 0.00 C ATOM 82 CZ TYR A 5 8.100 2.781 5.952 1.00 0.00 C ATOM 83 OH TYR A 5 8.887 2.979 7.067 1.00 0.00 O ATOM 0 H TYR A 5 6.372 -0.377 2.624 1.00 0.00 H new ATOM 0 HA TYR A 5 3.887 1.139 3.133 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.341 2.083 1.587 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.071 3.071 2.282 1.00 0.00 H new ATOM 0 HD1 TYR A 5 8.076 1.059 3.066 1.00 0.00 H new ATOM 0 HD2 TYR A 5 5.174 3.771 4.617 1.00 0.00 H new ATOM 0 HE1 TYR A 5 9.462 1.398 5.062 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.570 4.122 6.609 1.00 0.00 H new ATOM 0 HH TYR A 5 8.447 3.615 7.669 1.00 0.00 H new ATOM 93 N LYS A 6 3.231 1.453 0.650 1.00 0.00 N ATOM 94 CA LYS A 6 2.787 1.482 -0.752 1.00 0.00 C ATOM 95 C LYS A 6 1.955 2.739 -1.042 1.00 0.00 C ATOM 96 O LYS A 6 1.091 3.116 -0.253 1.00 0.00 O ATOM 97 CB LYS A 6 1.973 0.232 -1.126 1.00 0.00 C ATOM 98 CG LYS A 6 1.372 0.312 -2.532 1.00 0.00 C ATOM 99 CD LYS A 6 0.667 -0.974 -2.967 1.00 0.00 C ATOM 100 CE LYS A 6 -0.464 -1.382 -2.023 1.00 0.00 C ATOM 101 NZ LYS A 6 0.038 -2.055 -0.791 1.00 0.00 N ATOM 0 H LYS A 6 2.706 2.075 1.264 1.00 0.00 H new ATOM 0 HA LYS A 6 3.689 1.498 -1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.615 -0.647 -1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.171 0.096 -0.401 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.661 1.137 -2.568 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.164 0.542 -3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.265 -0.840 -3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.397 -1.782 -3.022 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.036 -0.498 -1.743 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.147 -2.051 -2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.651 -2.769 -0.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.948 -2.517 -0.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.168 -1.349 -0.038 1.00 0.00 H new ATOM 115 N ILE A 7 2.216 3.372 -2.184 1.00 0.00 N ATOM 116 CA ILE A 7 1.479 4.570 -2.600 1.00 0.00 C ATOM 117 C ILE A 7 0.338 4.212 -3.569 1.00 0.00 C ATOM 118 O ILE A 7 0.487 3.330 -4.413 1.00 0.00 O ATOM 119 CB ILE A 7 2.425 5.593 -3.283 1.00 0.00 C ATOM 120 CG1 ILE A 7 3.556 6.003 -2.322 1.00 0.00 C ATOM 121 CG2 ILE A 7 1.649 6.823 -3.752 1.00 0.00 C ATOM 122 CD1 ILE A 7 4.536 6.999 -2.913 1.00 0.00 C ATOM 0 H ILE A 7 2.936 3.075 -2.843 1.00 0.00 H new ATOM 0 HA ILE A 7 1.055 5.016 -1.701 1.00 0.00 H new ATOM 0 HB ILE A 7 2.867 5.117 -4.158 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.116 6.432 -1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.101 5.110 -2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.333 7.526 -4.227 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.885 6.520 -4.468 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.174 7.302 -2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.302 7.237 -2.175 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.006 6.567 -3.797 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.006 7.909 -3.192 1.00 0.00 H new ATOM 134 N LEU A 8 -0.803 4.884 -3.424 1.00 0.00 N ATOM 135 CA LEU A 8 -1.931 4.719 -4.354 1.00 0.00 C ATOM 136 C LEU A 8 -2.801 5.985 -4.387 1.00 0.00 C ATOM 137 O LEU A 8 -2.721 6.823 -3.493 1.00 0.00 O ATOM 138 CB LEU A 8 -2.796 3.500 -3.976 1.00 0.00 C ATOM 139 CG LEU A 8 -3.661 3.645 -2.709 1.00 0.00 C ATOM 140 CD1 LEU A 8 -4.597 2.450 -2.563 1.00 0.00 C ATOM 141 CD2 LEU A 8 -2.795 3.799 -1.461 1.00 0.00 C ATOM 0 H LEU A 8 -0.976 5.550 -2.671 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.513 4.550 -5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.453 3.273 -4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.138 2.641 -3.845 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.260 4.549 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.201 2.568 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.251 2.391 -3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.010 1.535 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.435 3.899 -0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.160 2.920 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.171 4.688 -1.558 1.00 0.00 H new ATOM 153 N SER A 9 -3.629 6.121 -5.418 1.00 0.00 N ATOM 154 CA SER A 9 -4.525 7.283 -5.544 1.00 0.00 C ATOM 155 C SER A 9 -5.701 7.212 -4.561 1.00 0.00 C ATOM 156 O SER A 9 -6.167 6.125 -4.210 1.00 0.00 O ATOM 157 CB SER A 9 -5.071 7.387 -6.973 1.00 0.00 C ATOM 158 OG SER A 9 -6.031 8.431 -7.085 1.00 0.00 O ATOM 0 H SER A 9 -3.704 5.447 -6.180 1.00 0.00 H new ATOM 0 HA SER A 9 -3.933 8.167 -5.307 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.250 7.569 -7.666 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.526 6.439 -7.261 1.00 0.00 H new ATOM 0 HG SER A 9 -6.360 8.475 -8.007 1.00 0.00 H new ATOM 164 N ARG A 10 -6.181 8.379 -4.127 1.00 0.00 N ATOM 165 CA ARG A 10 -7.363 8.464 -3.258 1.00 0.00 C ATOM 166 C ARG A 10 -8.560 7.717 -3.868 1.00 0.00 C ATOM 167 O ARG A 10 -9.294 7.026 -3.168 1.00 0.00 O ATOM 168 CB ARG A 10 -7.741 9.932 -3.011 1.00 0.00 C ATOM 169 CG ARG A 10 -6.734 10.711 -2.166 1.00 0.00 C ATOM 170 CD ARG A 10 -6.742 10.267 -0.709 1.00 0.00 C ATOM 171 NE ARG A 10 -8.073 10.352 -0.116 1.00 0.00 N ATOM 172 CZ ARG A 10 -8.405 11.164 0.846 1.00 0.00 C ATOM 173 NH1 ARG A 10 -7.545 11.999 1.335 1.00 0.00 N ATOM 174 NH2 ARG A 10 -9.608 11.140 1.315 1.00 0.00 N ATOM 0 H ARG A 10 -5.770 9.282 -4.362 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.110 7.991 -2.309 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.853 10.432 -3.973 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.713 9.966 -2.519 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.734 10.577 -2.580 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.962 11.775 -2.221 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.380 9.241 -0.641 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.051 10.887 -0.138 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.795 9.731 -0.481 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.594 12.026 0.967 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.818 12.630 2.089 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.292 10.487 0.932 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.874 11.774 2.069 1.00 0.00 H new ATOM 188 N ALA A 11 -8.737 7.845 -5.181 1.00 0.00 N ATOM 189 CA ALA A 11 -9.831 7.162 -5.888 1.00 0.00 C ATOM 190 C ALA A 11 -9.760 5.635 -5.713 1.00 0.00 C ATOM 191 O ALA A 11 -10.766 4.936 -5.840 1.00 0.00 O ATOM 192 CB ALA A 11 -9.805 7.530 -7.367 1.00 0.00 C ATOM 0 H ALA A 11 -8.140 8.414 -5.781 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.772 7.496 -5.450 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.618 7.020 -7.883 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.925 8.608 -7.476 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.853 7.226 -7.801 1.00 0.00 H new ATOM 198 N GLU A 12 -8.566 5.124 -5.427 1.00 0.00 N ATOM 199 CA GLU A 12 -8.371 3.694 -5.169 1.00 0.00 C ATOM 200 C GLU A 12 -8.558 3.385 -3.672 1.00 0.00 C ATOM 201 O GLU A 12 -9.280 2.461 -3.294 1.00 0.00 O ATOM 202 CB GLU A 12 -6.962 3.269 -5.617 1.00 0.00 C ATOM 203 CG GLU A 12 -6.605 3.684 -7.045 1.00 0.00 C ATOM 204 CD GLU A 12 -7.450 2.987 -8.102 1.00 0.00 C ATOM 205 OE1 GLU A 12 -8.522 3.513 -8.462 1.00 0.00 O ATOM 206 OE2 GLU A 12 -7.038 1.912 -8.585 1.00 0.00 O ATOM 0 H GLU A 12 -7.713 5.679 -5.367 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.114 3.134 -5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.231 3.699 -4.932 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.878 2.185 -5.534 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.728 4.762 -7.144 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.553 3.465 -7.228 1.00 0.00 H new ATOM 213 N TRP A 13 -7.906 4.186 -2.832 1.00 0.00 N ATOM 214 CA TRP A 13 -7.945 4.009 -1.376 1.00 0.00 C ATOM 215 C TRP A 13 -9.355 4.238 -0.803 1.00 0.00 C ATOM 216 O TRP A 13 -9.907 3.375 -0.120 1.00 0.00 O ATOM 217 CB TRP A 13 -6.934 4.961 -0.721 1.00 0.00 C ATOM 218 CG TRP A 13 -6.922 4.914 0.781 1.00 0.00 C ATOM 219 CD1 TRP A 13 -6.997 5.979 1.632 1.00 0.00 C ATOM 220 CD2 TRP A 13 -6.841 3.744 1.608 1.00 0.00 C ATOM 221 NE1 TRP A 13 -6.959 5.544 2.933 1.00 0.00 N ATOM 222 CE2 TRP A 13 -6.865 4.179 2.946 1.00 0.00 C ATOM 223 CE3 TRP A 13 -6.748 2.372 1.350 1.00 0.00 C ATOM 224 CZ2 TRP A 13 -6.799 3.296 4.019 1.00 0.00 C ATOM 225 CZ3 TRP A 13 -6.685 1.495 2.417 1.00 0.00 C ATOM 226 CH2 TRP A 13 -6.712 1.961 3.737 1.00 0.00 C ATOM 0 H TRP A 13 -7.336 4.975 -3.137 1.00 0.00 H new ATOM 0 HA TRP A 13 -7.677 2.977 -1.151 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -5.936 4.721 -1.088 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.154 5.980 -1.039 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -7.075 7.012 1.326 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -6.995 6.142 3.758 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -6.726 2.004 0.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.816 3.652 5.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -6.614 0.434 2.229 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -6.663 1.251 4.549 1.00 0.00 H new ATOM 237 N ASP A 14 -9.929 5.404 -1.076 1.00 0.00 N ATOM 238 CA ASP A 14 -11.290 5.730 -0.636 1.00 0.00 C ATOM 239 C ASP A 14 -12.320 4.712 -1.158 1.00 0.00 C ATOM 240 O ASP A 14 -13.308 4.411 -0.480 1.00 0.00 O ATOM 241 CB ASP A 14 -11.651 7.149 -1.083 1.00 0.00 C ATOM 242 CG ASP A 14 -10.797 8.199 -0.391 1.00 0.00 C ATOM 243 OD1 ASP A 14 -9.563 8.046 -0.373 1.00 0.00 O ATOM 244 OD2 ASP A 14 -11.357 9.173 0.159 1.00 0.00 O ATOM 0 H ASP A 14 -9.473 6.148 -1.604 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.317 5.679 0.452 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.524 7.232 -2.162 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.703 7.340 -0.870 1.00 0.00 H new ATOM 249 N ALA A 15 -12.087 4.183 -2.360 1.00 0.00 N ATOM 250 CA ALA A 15 -12.915 3.095 -2.898 1.00 0.00 C ATOM 251 C ALA A 15 -12.804 1.845 -2.016 1.00 0.00 C ATOM 252 O ALA A 15 -13.799 1.163 -1.749 1.00 0.00 O ATOM 253 CB ALA A 15 -12.505 2.767 -4.328 1.00 0.00 C ATOM 0 H ALA A 15 -11.336 4.487 -2.980 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.953 3.427 -2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.129 1.959 -4.709 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.632 3.650 -4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.460 2.457 -4.345 1.00 0.00 H new ATOM 259 N ALA A 16 -11.580 1.558 -1.569 1.00 0.00 N ATOM 260 CA ALA A 16 -11.323 0.454 -0.643 1.00 0.00 C ATOM 261 C ALA A 16 -11.987 0.700 0.722 1.00 0.00 C ATOM 262 O ALA A 16 -12.562 -0.211 1.315 1.00 0.00 O ATOM 263 CB ALA A 16 -9.821 0.251 -0.472 1.00 0.00 C ATOM 0 H ALA A 16 -10.745 2.080 -1.836 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.760 -0.450 -1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.642 -0.573 0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.373 0.018 -1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.374 1.162 -0.074 1.00 0.00 H new ATOM 269 N LYS A 17 -11.907 1.940 1.210 1.00 0.00 N ATOM 270 CA LYS A 17 -12.525 2.316 2.489 1.00 0.00 C ATOM 271 C LYS A 17 -14.053 2.178 2.438 1.00 0.00 C ATOM 272 O LYS A 17 -14.677 1.755 3.411 1.00 0.00 O ATOM 273 CB LYS A 17 -12.141 3.751 2.885 1.00 0.00 C ATOM 274 CG LYS A 17 -10.643 3.950 3.101 1.00 0.00 C ATOM 275 CD LYS A 17 -10.329 5.301 3.747 1.00 0.00 C ATOM 276 CE LYS A 17 -10.752 6.477 2.877 1.00 0.00 C ATOM 277 NZ LYS A 17 -10.473 7.781 3.540 1.00 0.00 N ATOM 0 H LYS A 17 -11.420 2.703 0.740 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.145 1.629 3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.481 4.436 2.108 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.669 4.019 3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.259 3.149 3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.126 3.877 2.144 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.835 5.366 4.710 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.259 5.366 3.944 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.225 6.433 1.924 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.817 6.402 2.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.774 8.558 2.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.996 7.833 4.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.454 7.864 3.728 1.00 0.00 H new ATOM 291 N ALA A 18 -14.652 2.532 1.300 1.00 0.00 N ATOM 292 CA ALA A 18 -16.103 2.385 1.112 1.00 0.00 C ATOM 293 C ALA A 18 -16.545 0.926 1.323 1.00 0.00 C ATOM 294 O ALA A 18 -17.574 0.655 1.945 1.00 0.00 O ATOM 295 CB ALA A 18 -16.505 2.867 -0.279 1.00 0.00 C ATOM 0 H ALA A 18 -14.161 2.921 0.495 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.606 2.999 1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.582 2.753 -0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.235 3.917 -0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -15.986 2.276 -1.033 1.00 0.00 H new ATOM 301 N GLN A 19 -15.741 -0.003 0.810 1.00 0.00 N ATOM 302 CA GLN A 19 -16.005 -1.441 0.957 1.00 0.00 C ATOM 303 C GLN A 19 -15.234 -2.046 2.144 1.00 0.00 C ATOM 304 O GLN A 19 -15.313 -3.250 2.400 1.00 0.00 O ATOM 305 CB GLN A 19 -15.634 -2.167 -0.343 1.00 0.00 C ATOM 306 CG GLN A 19 -14.202 -1.918 -0.802 1.00 0.00 C ATOM 307 CD GLN A 19 -13.901 -2.518 -2.164 1.00 0.00 C ATOM 308 OE1 GLN A 19 -14.782 -2.647 -3.010 1.00 0.00 O ATOM 309 NE2 GLN A 19 -12.652 -2.858 -2.401 1.00 0.00 N ATOM 0 H GLN A 19 -14.894 0.212 0.284 1.00 0.00 H new ATOM 0 HA GLN A 19 -17.068 -1.571 1.160 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.779 -3.238 -0.204 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -16.318 -1.852 -1.131 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.019 -0.844 -0.836 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.513 -2.335 -0.067 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.944 -2.738 -1.676 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.391 -3.242 -3.309 1.00 0.00 H new ATOM 318 N GLY A 20 -14.483 -1.205 2.854 1.00 0.00 N ATOM 319 CA GLY A 20 -13.723 -1.650 4.021 1.00 0.00 C ATOM 320 C GLY A 20 -12.553 -2.581 3.691 1.00 0.00 C ATOM 321 O GLY A 20 -11.881 -3.080 4.593 1.00 0.00 O ATOM 0 H GLY A 20 -14.385 -0.212 2.641 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.339 -0.775 4.546 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.398 -2.162 4.706 1.00 0.00 H new ATOM 325 N ARG A 21 -12.283 -2.805 2.405 1.00 0.00 N ATOM 326 CA ARG A 21 -11.247 -3.765 1.994 1.00 0.00 C ATOM 327 C ARG A 21 -10.396 -3.239 0.830 1.00 0.00 C ATOM 328 O ARG A 21 -10.929 -2.775 -0.178 1.00 0.00 O ATOM 329 CB ARG A 21 -11.896 -5.088 1.556 1.00 0.00 C ATOM 330 CG ARG A 21 -12.740 -5.759 2.631 1.00 0.00 C ATOM 331 CD ARG A 21 -13.502 -6.962 2.083 1.00 0.00 C ATOM 332 NE ARG A 21 -14.332 -7.600 3.103 1.00 0.00 N ATOM 333 CZ ARG A 21 -15.354 -7.029 3.689 1.00 0.00 C ATOM 334 NH1 ARG A 21 -15.682 -5.806 3.416 1.00 0.00 N ATOM 335 NH2 ARG A 21 -16.048 -7.682 4.558 1.00 0.00 N ATOM 0 H ARG A 21 -12.760 -2.341 1.632 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.600 -3.917 2.858 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.522 -4.901 0.684 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.112 -5.778 1.243 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.097 -6.079 3.451 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.446 -5.038 3.042 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -14.131 -6.644 1.252 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.793 -7.689 1.686 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.099 -8.555 3.377 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.141 -5.273 2.735 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.481 -5.376 3.882 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.801 -8.644 4.789 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -16.844 -7.236 5.014 1.00 0.00 H new ATOM 349 N PHE A 22 -9.079 -3.324 0.968 1.00 0.00 N ATOM 350 CA PHE A 22 -8.168 -3.068 -0.150 1.00 0.00 C ATOM 351 C PHE A 22 -7.792 -4.394 -0.831 1.00 0.00 C ATOM 352 O PHE A 22 -7.090 -5.226 -0.253 1.00 0.00 O ATOM 353 CB PHE A 22 -6.907 -2.335 0.329 1.00 0.00 C ATOM 354 CG PHE A 22 -5.922 -2.061 -0.782 1.00 0.00 C ATOM 355 CD1 PHE A 22 -6.225 -1.148 -1.784 1.00 0.00 C ATOM 356 CD2 PHE A 22 -4.702 -2.722 -0.831 1.00 0.00 C ATOM 357 CE1 PHE A 22 -5.331 -0.903 -2.809 1.00 0.00 C ATOM 358 CE2 PHE A 22 -3.806 -2.477 -1.853 1.00 0.00 C ATOM 359 CZ PHE A 22 -4.120 -1.568 -2.842 1.00 0.00 C ATOM 0 H PHE A 22 -8.614 -3.568 1.842 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.675 -2.428 -0.872 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.196 -1.391 0.791 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.419 -2.931 1.100 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.169 -0.624 -1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.451 -3.436 -0.061 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.579 -0.192 -3.584 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.860 -2.997 -1.878 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.420 -1.376 -3.642 1.00 0.00 H new ATOM 369 N GLU A 23 -8.265 -4.585 -2.058 1.00 0.00 N ATOM 370 CA GLU A 23 -8.125 -5.872 -2.755 1.00 0.00 C ATOM 371 C GLU A 23 -7.010 -5.854 -3.818 1.00 0.00 C ATOM 372 O GLU A 23 -6.637 -6.900 -4.352 1.00 0.00 O ATOM 373 CB GLU A 23 -9.467 -6.235 -3.399 1.00 0.00 C ATOM 374 CG GLU A 23 -10.611 -6.339 -2.391 1.00 0.00 C ATOM 375 CD GLU A 23 -11.959 -6.575 -3.047 1.00 0.00 C ATOM 376 OE1 GLU A 23 -12.209 -7.706 -3.515 1.00 0.00 O ATOM 377 OE2 GLU A 23 -12.780 -5.636 -3.092 1.00 0.00 O ATOM 0 H GLU A 23 -8.750 -3.868 -2.597 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.839 -6.624 -2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.718 -5.484 -4.147 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.366 -7.185 -3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.403 -7.153 -1.697 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.655 -5.422 -1.803 1.00 0.00 H new ATOM 384 N GLY A 24 -6.492 -4.667 -4.125 1.00 0.00 N ATOM 385 CA GLY A 24 -5.407 -4.547 -5.100 1.00 0.00 C ATOM 386 C GLY A 24 -5.899 -4.522 -6.546 1.00 0.00 C ATOM 387 O GLY A 24 -7.062 -4.820 -6.822 1.00 0.00 O ATOM 0 H GLY A 24 -6.800 -3.783 -3.719 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.845 -3.635 -4.898 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.718 -5.382 -4.972 1.00 0.00 H new ATOM 391 N SER A 25 -5.015 -4.167 -7.476 1.00 0.00 N ATOM 392 CA SER A 25 -5.388 -4.061 -8.897 1.00 0.00 C ATOM 393 C SER A 25 -5.174 -5.389 -9.634 1.00 0.00 C ATOM 394 O SER A 25 -4.600 -6.335 -9.087 1.00 0.00 O ATOM 395 CB SER A 25 -4.569 -2.964 -9.594 1.00 0.00 C ATOM 396 OG SER A 25 -3.215 -3.359 -9.776 1.00 0.00 O ATOM 0 H SER A 25 -4.039 -3.948 -7.279 1.00 0.00 H new ATOM 0 HA SER A 25 -6.447 -3.805 -8.932 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.015 -2.735 -10.562 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.606 -2.050 -9.002 1.00 0.00 H new ATOM 0 HG SER A 25 -2.853 -3.686 -8.926 1.00 0.00 H new ATOM 402 N ALA A 26 -5.630 -5.452 -10.887 1.00 0.00 N ATOM 403 CA ALA A 26 -5.433 -6.640 -11.725 1.00 0.00 C ATOM 404 C ALA A 26 -3.945 -7.011 -11.826 1.00 0.00 C ATOM 405 O ALA A 26 -3.591 -8.191 -11.914 1.00 0.00 O ATOM 406 CB ALA A 26 -6.018 -6.409 -13.114 1.00 0.00 C ATOM 0 H ALA A 26 -6.138 -4.695 -11.345 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.955 -7.474 -11.255 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.865 -7.298 -13.726 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.086 -6.206 -13.030 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.522 -5.558 -13.581 1.00 0.00 H new ATOM 412 N VAL A 27 -3.082 -5.994 -11.796 1.00 0.00 N ATOM 413 CA VAL A 27 -1.630 -6.199 -11.828 1.00 0.00 C ATOM 414 C VAL A 27 -1.154 -6.973 -10.589 1.00 0.00 C ATOM 415 O VAL A 27 -0.359 -7.910 -10.697 1.00 0.00 O ATOM 416 CB VAL A 27 -0.872 -4.848 -11.911 1.00 0.00 C ATOM 417 CG1 VAL A 27 0.640 -5.066 -11.992 1.00 0.00 C ATOM 418 CG2 VAL A 27 -1.367 -4.023 -13.100 1.00 0.00 C ATOM 0 H VAL A 27 -3.364 -5.015 -11.749 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.409 -6.783 -12.721 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.079 -4.291 -10.997 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.144 -4.101 -12.049 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.979 -5.600 -11.104 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.876 -5.652 -12.880 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.823 -3.080 -13.140 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.199 -4.578 -14.023 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.432 -3.823 -12.985 1.00 0.00 H new ATOM 428 N ASP A 28 -1.651 -6.582 -9.413 1.00 0.00 N ATOM 429 CA ASP A 28 -1.321 -7.279 -8.166 1.00 0.00 C ATOM 430 C ASP A 28 -1.674 -8.773 -8.256 1.00 0.00 C ATOM 431 O ASP A 28 -0.838 -9.637 -7.993 1.00 0.00 O ATOM 432 CB ASP A 28 -2.048 -6.631 -6.981 1.00 0.00 C ATOM 433 CG ASP A 28 -1.569 -5.214 -6.714 1.00 0.00 C ATOM 434 OD1 ASP A 28 -2.115 -4.274 -7.329 1.00 0.00 O ATOM 435 OD2 ASP A 28 -0.644 -5.040 -5.888 1.00 0.00 O ATOM 0 H ASP A 28 -2.282 -5.789 -9.297 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.246 -7.194 -8.008 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.120 -6.618 -7.178 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.895 -7.238 -6.088 1.00 0.00 H new ATOM 440 N LEU A 29 -2.908 -9.065 -8.657 1.00 0.00 N ATOM 441 CA LEU A 29 -3.370 -10.452 -8.805 1.00 0.00 C ATOM 442 C LEU A 29 -2.573 -11.214 -9.881 1.00 0.00 C ATOM 443 O LEU A 29 -2.312 -12.409 -9.741 1.00 0.00 O ATOM 444 CB LEU A 29 -4.871 -10.488 -9.142 1.00 0.00 C ATOM 445 CG LEU A 29 -5.831 -10.181 -7.974 1.00 0.00 C ATOM 446 CD1 LEU A 29 -5.607 -8.778 -7.412 1.00 0.00 C ATOM 447 CD2 LEU A 29 -7.281 -10.354 -8.421 1.00 0.00 C ATOM 0 H LEU A 29 -3.611 -8.362 -8.887 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.202 -10.950 -7.850 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.061 -9.772 -9.941 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.112 -11.476 -9.535 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.619 -10.891 -7.175 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.302 -8.600 -6.591 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.584 -8.692 -7.046 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.775 -8.041 -8.197 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.948 -10.134 -7.587 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.492 -9.671 -9.244 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.440 -11.380 -8.752 1.00 0.00 H new ATOM 459 N ALA A 30 -2.185 -10.517 -10.948 1.00 0.00 N ATOM 460 CA ALA A 30 -1.422 -11.131 -12.045 1.00 0.00 C ATOM 461 C ALA A 30 0.020 -11.466 -11.629 1.00 0.00 C ATOM 462 O ALA A 30 0.594 -12.463 -12.068 1.00 0.00 O ATOM 463 CB ALA A 30 -1.411 -10.204 -13.256 1.00 0.00 C ATOM 0 H ALA A 30 -2.384 -9.526 -11.080 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.916 -12.068 -12.303 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.844 -10.667 -14.063 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.434 -10.026 -13.587 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.947 -9.256 -12.984 1.00 0.00 H new ATOM 469 N ASP A 31 0.598 -10.617 -10.790 1.00 0.00 N ATOM 470 CA ASP A 31 1.980 -10.782 -10.333 1.00 0.00 C ATOM 471 C ASP A 31 2.064 -11.744 -9.133 1.00 0.00 C ATOM 472 O ASP A 31 2.797 -12.737 -9.162 1.00 0.00 O ATOM 473 CB ASP A 31 2.538 -9.405 -9.956 1.00 0.00 C ATOM 474 CG ASP A 31 3.996 -9.437 -9.528 1.00 0.00 C ATOM 475 OD1 ASP A 31 4.272 -9.806 -8.370 1.00 0.00 O ATOM 476 OD2 ASP A 31 4.866 -9.069 -10.342 1.00 0.00 O ATOM 0 H ASP A 31 0.129 -9.797 -10.406 1.00 0.00 H new ATOM 0 HA ASP A 31 2.572 -11.218 -11.138 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.433 -8.734 -10.808 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.939 -8.989 -9.146 1.00 0.00 H new ATOM 481 N GLY A 32 1.315 -11.433 -8.081 1.00 0.00 N ATOM 482 CA GLY A 32 1.327 -12.253 -6.876 1.00 0.00 C ATOM 483 C GLY A 32 0.673 -11.561 -5.688 1.00 0.00 C ATOM 484 O GLY A 32 1.320 -11.323 -4.664 1.00 0.00 O ATOM 0 H GLY A 32 0.695 -10.624 -8.038 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.809 -13.191 -7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.357 -12.505 -6.623 1.00 0.00 H new ATOM 488 N PHE A 33 -0.610 -11.229 -5.838 1.00 0.00 N ATOM 489 CA PHE A 33 -1.392 -10.567 -4.782 1.00 0.00 C ATOM 490 C PHE A 33 -0.862 -9.157 -4.449 1.00 0.00 C ATOM 491 O PHE A 33 0.017 -8.632 -5.137 1.00 0.00 O ATOM 492 CB PHE A 33 -1.448 -11.442 -3.522 1.00 0.00 C ATOM 493 CG PHE A 33 -2.325 -12.660 -3.670 1.00 0.00 C ATOM 494 CD1 PHE A 33 -3.672 -12.599 -3.348 1.00 0.00 C ATOM 495 CD2 PHE A 33 -1.805 -13.861 -4.129 1.00 0.00 C ATOM 496 CE1 PHE A 33 -4.482 -13.710 -3.480 1.00 0.00 C ATOM 497 CE2 PHE A 33 -2.612 -14.975 -4.262 1.00 0.00 C ATOM 498 CZ PHE A 33 -3.952 -14.899 -3.937 1.00 0.00 C ATOM 0 H PHE A 33 -1.139 -11.409 -6.691 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.404 -10.439 -5.167 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.438 -11.761 -3.267 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.813 -10.841 -2.689 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.093 -11.671 -2.990 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.758 -13.926 -4.385 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.530 -13.648 -3.226 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.195 -15.905 -4.620 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.584 -15.769 -4.040 1.00 0.00 H new ATOM 508 N ILE A 34 -1.407 -8.555 -3.391 1.00 0.00 N ATOM 509 CA ILE A 34 -1.111 -7.159 -3.038 1.00 0.00 C ATOM 510 C ILE A 34 0.396 -6.896 -2.863 1.00 0.00 C ATOM 511 O ILE A 34 1.079 -7.570 -2.091 1.00 0.00 O ATOM 512 CB ILE A 34 -1.860 -6.743 -1.745 1.00 0.00 C ATOM 513 CG1 ILE A 34 -3.380 -6.892 -1.941 1.00 0.00 C ATOM 514 CG2 ILE A 34 -1.506 -5.307 -1.349 1.00 0.00 C ATOM 515 CD1 ILE A 34 -4.193 -6.532 -0.717 1.00 0.00 C ATOM 0 H ILE A 34 -2.061 -9.014 -2.757 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.460 -6.554 -3.875 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.546 -7.403 -0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.693 -6.260 -2.772 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.601 -7.922 -2.222 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.043 -5.037 -0.440 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.433 -5.232 -1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.790 -4.628 -2.153 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.253 -6.662 -0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.909 -7.181 0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.003 -5.493 -0.446 1.00 0.00 H new ATOM 527 N HIS A 35 0.903 -5.905 -3.597 1.00 0.00 N ATOM 528 CA HIS A 35 2.317 -5.516 -3.526 1.00 0.00 C ATOM 529 C HIS A 35 2.569 -4.481 -2.422 1.00 0.00 C ATOM 530 O HIS A 35 1.708 -3.651 -2.128 1.00 0.00 O ATOM 531 CB HIS A 35 2.764 -4.913 -4.863 1.00 0.00 C ATOM 532 CG HIS A 35 2.620 -5.827 -6.041 1.00 0.00 C ATOM 533 ND1 HIS A 35 1.936 -7.022 -6.000 1.00 0.00 N ATOM 534 CD2 HIS A 35 3.083 -5.709 -7.308 1.00 0.00 C ATOM 535 CE1 HIS A 35 1.988 -7.597 -7.179 1.00 0.00 C ATOM 536 NE2 HIS A 35 2.676 -6.821 -7.993 1.00 0.00 N ATOM 0 H HIS A 35 0.352 -5.351 -4.253 1.00 0.00 H new ATOM 0 HA HIS A 35 2.887 -6.418 -3.301 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.185 -4.008 -5.049 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.808 -4.612 -4.779 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.462 -7.401 -5.180 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.665 -4.890 -7.704 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.542 -8.546 -7.438 1.00 0.00 H new ATOM 545 N LEU A 36 3.744 -4.549 -1.801 1.00 0.00 N ATOM 546 CA LEU A 36 4.234 -3.481 -0.919 1.00 0.00 C ATOM 547 C LEU A 36 5.751 -3.300 -1.098 1.00 0.00 C ATOM 548 O LEU A 36 6.389 -4.054 -1.835 1.00 0.00 O ATOM 549 CB LEU A 36 3.898 -3.757 0.562 1.00 0.00 C ATOM 550 CG LEU A 36 2.390 -3.851 0.900 1.00 0.00 C ATOM 551 CD1 LEU A 36 1.892 -5.295 0.829 1.00 0.00 C ATOM 552 CD2 LEU A 36 2.090 -3.235 2.266 1.00 0.00 C ATOM 0 H LEU A 36 4.383 -5.339 -1.891 1.00 0.00 H new ATOM 0 HA LEU A 36 3.725 -2.560 -1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.377 -4.691 0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.340 -2.967 1.169 1.00 0.00 H new ATOM 0 HG LEU A 36 1.850 -3.276 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.830 -5.326 1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.046 -5.684 -0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.445 -5.906 1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.023 -3.316 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.652 -3.765 3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.380 -2.184 2.263 1.00 0.00 H new ATOM 564 N SER A 37 6.323 -2.304 -0.426 1.00 0.00 N ATOM 565 CA SER A 37 7.759 -2.004 -0.559 1.00 0.00 C ATOM 566 C SER A 37 8.398 -1.623 0.784 1.00 0.00 C ATOM 567 O SER A 37 7.709 -1.238 1.728 1.00 0.00 O ATOM 568 CB SER A 37 7.976 -0.867 -1.572 1.00 0.00 C ATOM 569 OG SER A 37 7.638 -1.271 -2.890 1.00 0.00 O ATOM 0 H SER A 37 5.822 -1.689 0.216 1.00 0.00 H new ATOM 0 HA SER A 37 8.244 -2.913 -0.915 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.371 -0.006 -1.288 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.018 -0.548 -1.544 1.00 0.00 H new ATOM 0 HG SER A 37 7.791 -0.527 -3.510 1.00 0.00 H new ATOM 575 N ALA A 38 9.725 -1.744 0.866 1.00 0.00 N ATOM 576 CA ALA A 38 10.471 -1.335 2.065 1.00 0.00 C ATOM 577 C ALA A 38 10.666 0.193 2.116 1.00 0.00 C ATOM 578 O ALA A 38 10.140 0.918 1.274 1.00 0.00 O ATOM 579 CB ALA A 38 11.816 -2.050 2.110 1.00 0.00 C ATOM 0 H ALA A 38 10.307 -2.121 0.118 1.00 0.00 H new ATOM 0 HA ALA A 38 9.887 -1.619 2.941 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.362 -1.741 3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.654 -3.128 2.138 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.395 -1.793 1.223 1.00 0.00 H new ATOM 585 N GLY A 39 11.431 0.668 3.102 1.00 0.00 N ATOM 586 CA GLY A 39 11.649 2.107 3.277 1.00 0.00 C ATOM 587 C GLY A 39 12.108 2.825 2.008 1.00 0.00 C ATOM 588 O GLY A 39 11.339 3.568 1.390 1.00 0.00 O ATOM 0 H GLY A 39 11.907 0.082 3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.723 2.564 3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.394 2.259 4.058 1.00 0.00 H new ATOM 592 N GLU A 40 13.359 2.606 1.616 1.00 0.00 N ATOM 593 CA GLU A 40 13.904 3.226 0.400 1.00 0.00 C ATOM 594 C GLU A 40 13.191 2.696 -0.855 1.00 0.00 C ATOM 595 O GLU A 40 13.012 3.419 -1.837 1.00 0.00 O ATOM 596 CB GLU A 40 15.417 2.969 0.281 1.00 0.00 C ATOM 597 CG GLU A 40 16.262 3.580 1.403 1.00 0.00 C ATOM 598 CD GLU A 40 16.005 2.951 2.765 1.00 0.00 C ATOM 599 OE1 GLU A 40 16.027 1.705 2.860 1.00 0.00 O ATOM 600 OE2 GLU A 40 15.788 3.693 3.745 1.00 0.00 O ATOM 0 H GLU A 40 14.017 2.008 2.116 1.00 0.00 H new ATOM 0 HA GLU A 40 13.733 4.300 0.476 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.588 1.893 0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.765 3.365 -0.673 1.00 0.00 H new ATOM 0 HG2 GLU A 40 17.317 3.470 1.154 1.00 0.00 H new ATOM 0 HG3 GLU A 40 16.058 4.649 1.461 1.00 0.00 H new ATOM 607 N GLN A 41 12.770 1.430 -0.803 1.00 0.00 N ATOM 608 CA GLN A 41 12.104 0.778 -1.938 1.00 0.00 C ATOM 609 C GLN A 41 10.764 1.459 -2.270 1.00 0.00 C ATOM 610 O GLN A 41 10.324 1.464 -3.419 1.00 0.00 O ATOM 611 CB GLN A 41 11.889 -0.712 -1.631 1.00 0.00 C ATOM 612 CG GLN A 41 11.618 -1.573 -2.859 1.00 0.00 C ATOM 613 CD GLN A 41 11.470 -3.045 -2.510 1.00 0.00 C ATOM 614 OE1 GLN A 41 12.446 -3.778 -2.441 1.00 0.00 O ATOM 615 NE2 GLN A 41 10.247 -3.493 -2.308 1.00 0.00 N ATOM 0 H GLN A 41 12.878 0.832 0.016 1.00 0.00 H new ATOM 0 HA GLN A 41 12.747 0.874 -2.813 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.772 -1.097 -1.120 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.052 -0.811 -0.940 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.709 -1.225 -3.350 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.433 -1.451 -3.573 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.453 -2.856 -2.373 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.094 -4.477 -2.087 1.00 0.00 H new ATOM 624 N ALA A 42 10.120 2.035 -1.255 1.00 0.00 N ATOM 625 CA ALA A 42 8.881 2.792 -1.456 1.00 0.00 C ATOM 626 C ALA A 42 9.132 4.034 -2.323 1.00 0.00 C ATOM 627 O ALA A 42 8.366 4.334 -3.242 1.00 0.00 O ATOM 628 CB ALA A 42 8.282 3.189 -0.112 1.00 0.00 C ATOM 0 H ALA A 42 10.434 1.993 -0.285 1.00 0.00 H new ATOM 0 HA ALA A 42 8.170 2.154 -1.981 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.362 3.751 -0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.062 2.292 0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.993 3.808 0.435 1.00 0.00 H new ATOM 634 N GLN A 43 10.219 4.748 -2.029 1.00 0.00 N ATOM 635 CA GLN A 43 10.611 5.917 -2.822 1.00 0.00 C ATOM 636 C GLN A 43 11.027 5.493 -4.238 1.00 0.00 C ATOM 637 O GLN A 43 10.782 6.206 -5.208 1.00 0.00 O ATOM 638 CB GLN A 43 11.743 6.684 -2.122 1.00 0.00 C ATOM 639 CG GLN A 43 12.167 7.960 -2.842 1.00 0.00 C ATOM 640 CD GLN A 43 13.156 8.786 -2.039 1.00 0.00 C ATOM 641 OE1 GLN A 43 14.361 8.593 -2.127 1.00 0.00 O ATOM 642 NE2 GLN A 43 12.654 9.719 -1.256 1.00 0.00 N ATOM 0 H GLN A 43 10.843 4.539 -1.250 1.00 0.00 H new ATOM 0 HA GLN A 43 9.752 6.583 -2.908 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.424 6.938 -1.111 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.608 6.028 -2.028 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.613 7.699 -3.802 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.284 8.563 -3.054 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.644 9.854 -1.206 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.275 10.307 -0.700 1.00 0.00 H new ATOM 651 N GLU A 44 11.650 4.320 -4.346 1.00 0.00 N ATOM 652 CA GLU A 44 11.946 3.711 -5.647 1.00 0.00 C ATOM 653 C GLU A 44 10.655 3.532 -6.464 1.00 0.00 C ATOM 654 O GLU A 44 10.563 3.969 -7.616 1.00 0.00 O ATOM 655 CB GLU A 44 12.633 2.349 -5.438 1.00 0.00 C ATOM 656 CG GLU A 44 12.886 1.555 -6.719 1.00 0.00 C ATOM 657 CD GLU A 44 14.080 2.057 -7.516 1.00 0.00 C ATOM 658 OE1 GLU A 44 13.950 3.076 -8.221 1.00 0.00 O ATOM 659 OE2 GLU A 44 15.153 1.415 -7.452 1.00 0.00 O ATOM 0 H GLU A 44 11.961 3.769 -3.546 1.00 0.00 H new ATOM 0 HA GLU A 44 12.615 4.370 -6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.586 2.512 -4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.018 1.747 -4.769 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.044 0.507 -6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.996 1.599 -7.346 1.00 0.00 H new ATOM 666 N THR A 45 9.651 2.898 -5.851 1.00 0.00 N ATOM 667 CA THR A 45 8.343 2.718 -6.491 1.00 0.00 C ATOM 668 C THR A 45 7.731 4.071 -6.878 1.00 0.00 C ATOM 669 O THR A 45 7.123 4.211 -7.935 1.00 0.00 O ATOM 670 CB THR A 45 7.348 1.972 -5.565 1.00 0.00 C ATOM 671 OG1 THR A 45 7.928 0.744 -5.089 1.00 0.00 O ATOM 672 CG2 THR A 45 6.043 1.667 -6.299 1.00 0.00 C ATOM 0 H THR A 45 9.718 2.501 -4.914 1.00 0.00 H new ATOM 0 HA THR A 45 8.514 2.119 -7.385 1.00 0.00 H new ATOM 0 HB THR A 45 7.131 2.621 -4.717 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.656 0.946 -4.465 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.362 1.144 -5.628 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.584 2.599 -6.627 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.251 1.040 -7.166 1.00 0.00 H new ATOM 680 N ALA A 46 7.906 5.069 -6.011 1.00 0.00 N ATOM 681 CA ALA A 46 7.399 6.421 -6.269 1.00 0.00 C ATOM 682 C ALA A 46 8.083 7.067 -7.484 1.00 0.00 C ATOM 683 O ALA A 46 7.415 7.559 -8.392 1.00 0.00 O ATOM 684 CB ALA A 46 7.574 7.300 -5.034 1.00 0.00 C ATOM 0 H ALA A 46 8.396 4.968 -5.122 1.00 0.00 H new ATOM 0 HA ALA A 46 6.337 6.333 -6.497 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.193 8.300 -5.242 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.023 6.868 -4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.632 7.361 -4.778 1.00 0.00 H new ATOM 690 N ALA A 47 9.414 7.037 -7.513 1.00 0.00 N ATOM 691 CA ALA A 47 10.181 7.698 -8.577 1.00 0.00 C ATOM 692 C ALA A 47 9.938 7.066 -9.957 1.00 0.00 C ATOM 693 O ALA A 47 10.163 7.699 -10.992 1.00 0.00 O ATOM 694 CB ALA A 47 11.666 7.674 -8.236 1.00 0.00 C ATOM 0 H ALA A 47 9.987 6.564 -6.814 1.00 0.00 H new ATOM 0 HA ALA A 47 9.835 8.730 -8.636 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.229 8.166 -9.029 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.832 8.198 -7.295 1.00 0.00 H new ATOM 0 HB3 ALA A 47 12.001 6.641 -8.140 1.00 0.00 H new ATOM 700 N LYS A 48 9.492 5.814 -9.966 1.00 0.00 N ATOM 701 CA LYS A 48 9.230 5.083 -11.206 1.00 0.00 C ATOM 702 C LYS A 48 7.733 5.057 -11.583 1.00 0.00 C ATOM 703 O LYS A 48 7.376 5.251 -12.748 1.00 0.00 O ATOM 704 CB LYS A 48 9.759 3.650 -11.052 1.00 0.00 C ATOM 705 CG LYS A 48 11.273 3.529 -11.209 1.00 0.00 C ATOM 706 CD LYS A 48 11.770 2.117 -10.896 1.00 0.00 C ATOM 707 CE LYS A 48 13.179 1.871 -11.429 1.00 0.00 C ATOM 708 NZ LYS A 48 14.160 2.882 -10.953 1.00 0.00 N ATOM 0 H LYS A 48 9.302 5.277 -9.120 1.00 0.00 H new ATOM 0 HA LYS A 48 9.743 5.602 -12.016 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.474 3.272 -10.070 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.275 3.013 -11.792 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.554 3.795 -12.228 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.764 4.242 -10.546 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.759 1.960 -9.817 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.086 1.388 -11.331 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.510 0.878 -11.123 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.157 1.878 -12.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.122 2.496 -11.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.083 3.741 -11.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.962 3.117 -9.959 1.00 0.00 H new ATOM 722 N TRP A 49 6.864 4.823 -10.599 1.00 0.00 N ATOM 723 CA TRP A 49 5.435 4.573 -10.865 1.00 0.00 C ATOM 724 C TRP A 49 4.509 5.722 -10.415 1.00 0.00 C ATOM 725 O TRP A 49 3.372 5.818 -10.882 1.00 0.00 O ATOM 726 CB TRP A 49 5.004 3.267 -10.182 1.00 0.00 C ATOM 727 CG TRP A 49 5.689 2.049 -10.733 1.00 0.00 C ATOM 728 CD1 TRP A 49 6.890 1.529 -10.340 1.00 0.00 C ATOM 729 CD2 TRP A 49 5.208 1.201 -11.781 1.00 0.00 C ATOM 730 NE1 TRP A 49 7.186 0.414 -11.084 1.00 0.00 N ATOM 731 CE2 TRP A 49 6.168 0.190 -11.972 1.00 0.00 C ATOM 732 CE3 TRP A 49 4.056 1.198 -12.575 1.00 0.00 C ATOM 733 CZ2 TRP A 49 6.013 -0.812 -12.925 1.00 0.00 C ATOM 734 CZ3 TRP A 49 3.903 0.201 -13.521 1.00 0.00 C ATOM 735 CH2 TRP A 49 4.877 -0.793 -13.687 1.00 0.00 C ATOM 0 H TRP A 49 7.117 4.800 -9.611 1.00 0.00 H new ATOM 0 HA TRP A 49 5.331 4.498 -11.947 1.00 0.00 H new ATOM 0 HB2 TRP A 49 5.211 3.339 -9.114 1.00 0.00 H new ATOM 0 HB3 TRP A 49 3.926 3.148 -10.290 1.00 0.00 H new ATOM 0 HD1 TRP A 49 7.515 1.936 -9.559 1.00 0.00 H new ATOM 0 HE1 TRP A 49 8.027 -0.155 -10.991 1.00 0.00 H new ATOM 0 HE3 TRP A 49 3.301 1.960 -12.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 6.763 -1.578 -13.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.019 0.188 -14.142 1.00 0.00 H new ATOM 0 HH2 TRP A 49 4.728 -1.560 -14.432 1.00 0.00 H new ATOM 746 N PHE A 50 4.980 6.588 -9.518 1.00 0.00 N ATOM 747 CA PHE A 50 4.132 7.656 -8.955 1.00 0.00 C ATOM 748 C PHE A 50 4.829 9.026 -8.992 1.00 0.00 C ATOM 749 O PHE A 50 4.544 9.905 -8.176 1.00 0.00 O ATOM 750 CB PHE A 50 3.743 7.302 -7.511 1.00 0.00 C ATOM 751 CG PHE A 50 2.964 6.014 -7.396 1.00 0.00 C ATOM 752 CD1 PHE A 50 1.611 5.977 -7.703 1.00 0.00 C ATOM 753 CD2 PHE A 50 3.587 4.838 -6.993 1.00 0.00 C ATOM 754 CE1 PHE A 50 0.897 4.797 -7.614 1.00 0.00 C ATOM 755 CE2 PHE A 50 2.874 3.657 -6.900 1.00 0.00 C ATOM 756 CZ PHE A 50 1.529 3.637 -7.212 1.00 0.00 C ATOM 0 H PHE A 50 5.936 6.577 -9.163 1.00 0.00 H new ATOM 0 HA PHE A 50 3.236 7.729 -9.572 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.648 7.225 -6.908 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.149 8.115 -7.093 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.110 6.881 -8.015 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.639 4.847 -6.750 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.155 4.782 -7.859 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.369 2.751 -6.584 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.972 2.715 -7.142 1.00 0.00 H new ATOM 766 N ARG A 51 5.720 9.212 -9.962 1.00 0.00 N ATOM 767 CA ARG A 51 6.496 10.450 -10.071 1.00 0.00 C ATOM 768 C ARG A 51 5.626 11.634 -10.533 1.00 0.00 C ATOM 769 O ARG A 51 5.061 11.614 -11.630 1.00 0.00 O ATOM 770 CB ARG A 51 7.662 10.259 -11.048 1.00 0.00 C ATOM 771 CG ARG A 51 8.608 11.455 -11.104 1.00 0.00 C ATOM 772 CD ARG A 51 9.615 11.340 -12.242 1.00 0.00 C ATOM 773 NE ARG A 51 10.552 12.459 -12.253 1.00 0.00 N ATOM 774 CZ ARG A 51 10.310 13.620 -12.803 1.00 0.00 C ATOM 775 NH1 ARG A 51 9.176 13.860 -13.380 1.00 0.00 N ATOM 776 NH2 ARG A 51 11.209 14.546 -12.769 1.00 0.00 N ATOM 0 H ARG A 51 5.925 8.523 -10.685 1.00 0.00 H new ATOM 0 HA ARG A 51 6.881 10.681 -9.078 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.226 9.372 -10.760 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.264 10.073 -12.045 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.028 12.370 -11.226 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.141 11.539 -10.157 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.167 10.405 -12.146 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.085 11.301 -13.194 1.00 0.00 H new ATOM 0 HE ARG A 51 11.457 12.326 -11.801 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.456 13.138 -13.410 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.003 14.771 -13.805 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.105 14.371 -12.314 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.023 15.453 -13.197 1.00 0.00 H new ATOM 790 N GLY A 52 5.537 12.662 -9.691 1.00 0.00 N ATOM 791 CA GLY A 52 4.789 13.869 -10.036 1.00 0.00 C ATOM 792 C GLY A 52 3.275 13.665 -10.069 1.00 0.00 C ATOM 793 O GLY A 52 2.636 13.852 -11.108 1.00 0.00 O ATOM 0 H GLY A 52 5.972 12.683 -8.769 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.026 14.651 -9.315 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.120 14.225 -11.012 1.00 0.00 H new ATOM 797 N GLN A 53 2.698 13.286 -8.930 1.00 0.00 N ATOM 798 CA GLN A 53 1.247 13.063 -8.823 1.00 0.00 C ATOM 799 C GLN A 53 0.692 13.572 -7.483 1.00 0.00 C ATOM 800 O GLN A 53 1.433 13.758 -6.514 1.00 0.00 O ATOM 801 CB GLN A 53 0.922 11.568 -8.986 1.00 0.00 C ATOM 802 CG GLN A 53 1.042 11.053 -10.416 1.00 0.00 C ATOM 803 CD GLN A 53 0.796 9.556 -10.525 1.00 0.00 C ATOM 804 OE1 GLN A 53 1.720 8.756 -10.476 1.00 0.00 O ATOM 805 NE2 GLN A 53 -0.453 9.165 -10.660 1.00 0.00 N ATOM 0 H GLN A 53 3.210 13.125 -8.063 1.00 0.00 H new ATOM 0 HA GLN A 53 0.769 13.628 -9.624 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.590 10.991 -8.347 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.093 11.388 -8.631 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.329 11.581 -11.049 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.037 11.282 -10.798 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.202 9.856 -10.698 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -0.672 8.171 -10.727 1.00 0.00 H new ATOM 814 N ALA A 54 -0.618 13.802 -7.443 1.00 0.00 N ATOM 815 CA ALA A 54 -1.300 14.236 -6.216 1.00 0.00 C ATOM 816 C ALA A 54 -2.355 13.211 -5.770 1.00 0.00 C ATOM 817 O ALA A 54 -2.606 12.227 -6.468 1.00 0.00 O ATOM 818 CB ALA A 54 -1.940 15.603 -6.428 1.00 0.00 C ATOM 0 H ALA A 54 -1.235 13.696 -8.248 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.556 14.312 -5.423 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.443 15.915 -5.513 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.169 16.330 -6.685 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.666 15.543 -7.238 1.00 0.00 H new ATOM 824 N ASN A 55 -2.972 13.451 -4.609 1.00 0.00 N ATOM 825 CA ASN A 55 -3.980 12.536 -4.042 1.00 0.00 C ATOM 826 C ASN A 55 -3.377 11.153 -3.760 1.00 0.00 C ATOM 827 O ASN A 55 -4.071 10.134 -3.799 1.00 0.00 O ATOM 828 CB ASN A 55 -5.194 12.405 -4.976 1.00 0.00 C ATOM 829 CG ASN A 55 -5.930 13.718 -5.151 1.00 0.00 C ATOM 830 OD1 ASN A 55 -6.816 14.057 -4.373 1.00 0.00 O ATOM 831 ND2 ASN A 55 -5.574 14.464 -6.172 1.00 0.00 N ATOM 0 H ASN A 55 -2.793 14.276 -4.037 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.315 12.964 -3.097 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.863 12.044 -5.950 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.879 11.658 -4.575 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.039 15.357 -6.338 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.833 14.151 -6.799 1.00 0.00 H new ATOM 838 N LEU A 56 -2.087 11.132 -3.451 1.00 0.00 N ATOM 839 CA LEU A 56 -1.370 9.883 -3.198 1.00 0.00 C ATOM 840 C LEU A 56 -1.364 9.534 -1.704 1.00 0.00 C ATOM 841 O LEU A 56 -0.983 10.350 -0.872 1.00 0.00 O ATOM 842 CB LEU A 56 0.074 9.992 -3.707 1.00 0.00 C ATOM 843 CG LEU A 56 0.233 10.234 -5.218 1.00 0.00 C ATOM 844 CD1 LEU A 56 1.712 10.291 -5.596 1.00 0.00 C ATOM 845 CD2 LEU A 56 -0.493 9.153 -6.023 1.00 0.00 C ATOM 0 H LEU A 56 -1.511 11.969 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.888 9.087 -3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.567 10.805 -3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.601 9.074 -3.447 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.221 11.195 -5.461 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.807 10.463 -6.668 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.195 11.104 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.191 9.347 -5.336 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.366 9.346 -7.088 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.076 8.176 -5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.555 9.167 -5.776 1.00 0.00 H new ATOM 857 N VAL A 57 -1.788 8.321 -1.369 1.00 0.00 N ATOM 858 CA VAL A 57 -1.756 7.843 0.015 1.00 0.00 C ATOM 859 C VAL A 57 -0.641 6.812 0.217 1.00 0.00 C ATOM 860 O VAL A 57 -0.591 5.794 -0.473 1.00 0.00 O ATOM 861 CB VAL A 57 -3.105 7.203 0.426 1.00 0.00 C ATOM 862 CG1 VAL A 57 -3.075 6.742 1.885 1.00 0.00 C ATOM 863 CG2 VAL A 57 -4.254 8.173 0.188 1.00 0.00 C ATOM 0 H VAL A 57 -2.160 7.646 -2.037 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.567 8.714 0.643 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.265 6.324 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.035 6.297 2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.285 6.003 2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.884 7.597 2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.193 7.704 0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.097 9.075 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.296 8.435 -0.869 1.00 0.00 H new ATOM 873 N LEU A 58 0.261 7.092 1.149 1.00 0.00 N ATOM 874 CA LEU A 58 1.299 6.138 1.528 1.00 0.00 C ATOM 875 C LEU A 58 0.790 5.214 2.639 1.00 0.00 C ATOM 876 O LEU A 58 0.763 5.592 3.814 1.00 0.00 O ATOM 877 CB LEU A 58 2.568 6.874 1.992 1.00 0.00 C ATOM 878 CG LEU A 58 3.780 5.973 2.296 1.00 0.00 C ATOM 879 CD1 LEU A 58 4.200 5.190 1.056 1.00 0.00 C ATOM 880 CD2 LEU A 58 4.948 6.796 2.835 1.00 0.00 C ATOM 0 H LEU A 58 0.296 7.975 1.659 1.00 0.00 H new ATOM 0 HA LEU A 58 1.548 5.536 0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.854 7.591 1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.328 7.447 2.888 1.00 0.00 H new ATOM 0 HG LEU A 58 3.484 5.259 3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.057 4.561 1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.372 4.563 0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.471 5.885 0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.792 6.138 3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.241 7.540 2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.646 7.298 3.754 1.00 0.00 H new ATOM 892 N LEU A 59 0.343 4.023 2.256 1.00 0.00 N ATOM 893 CA LEU A 59 -0.106 3.021 3.223 1.00 0.00 C ATOM 894 C LEU A 59 1.088 2.390 3.948 1.00 0.00 C ATOM 895 O LEU A 59 1.837 1.606 3.364 1.00 0.00 O ATOM 896 CB LEU A 59 -0.930 1.926 2.532 1.00 0.00 C ATOM 897 CG LEU A 59 -2.226 2.400 1.854 1.00 0.00 C ATOM 898 CD1 LEU A 59 -2.939 1.229 1.178 1.00 0.00 C ATOM 899 CD2 LEU A 59 -3.146 3.085 2.865 1.00 0.00 C ATOM 0 H LEU A 59 0.281 3.725 1.282 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.736 3.526 3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.304 1.444 1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.184 1.166 3.271 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.964 3.128 1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.854 1.585 0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.285 0.792 0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.187 0.474 1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.057 3.413 2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.401 2.383 3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.637 3.948 3.293 1.00 0.00 H new ATOM 911 N ALA A 60 1.258 2.750 5.214 1.00 0.00 N ATOM 912 CA ALA A 60 2.337 2.210 6.044 1.00 0.00 C ATOM 913 C ALA A 60 1.789 1.174 7.032 1.00 0.00 C ATOM 914 O ALA A 60 1.200 1.528 8.056 1.00 0.00 O ATOM 915 CB ALA A 60 3.048 3.340 6.786 1.00 0.00 C ATOM 0 H ALA A 60 0.658 3.420 5.696 1.00 0.00 H new ATOM 0 HA ALA A 60 3.059 1.713 5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.848 2.926 7.400 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.469 4.040 6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.335 3.862 7.424 1.00 0.00 H new ATOM 921 N VAL A 61 1.962 -0.106 6.710 1.00 0.00 N ATOM 922 CA VAL A 61 1.424 -1.191 7.538 1.00 0.00 C ATOM 923 C VAL A 61 2.529 -1.956 8.279 1.00 0.00 C ATOM 924 O VAL A 61 3.540 -2.340 7.690 1.00 0.00 O ATOM 925 CB VAL A 61 0.581 -2.178 6.690 1.00 0.00 C ATOM 926 CG1 VAL A 61 0.102 -3.362 7.533 1.00 0.00 C ATOM 927 CG2 VAL A 61 -0.607 -1.449 6.065 1.00 0.00 C ATOM 0 H VAL A 61 2.470 -0.420 5.883 1.00 0.00 H new ATOM 0 HA VAL A 61 0.781 -0.722 8.283 1.00 0.00 H new ATOM 0 HB VAL A 61 1.213 -2.571 5.894 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.486 -4.037 6.911 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.964 -3.896 7.933 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.513 -2.998 8.356 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.193 -2.151 5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.232 -1.030 6.853 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.244 -0.646 5.424 1.00 0.00 H new ATOM 937 N GLU A 62 2.333 -2.159 9.579 1.00 0.00 N ATOM 938 CA GLU A 62 3.267 -2.943 10.393 1.00 0.00 C ATOM 939 C GLU A 62 3.135 -4.447 10.081 1.00 0.00 C ATOM 940 O GLU A 62 2.055 -5.028 10.209 1.00 0.00 O ATOM 941 CB GLU A 62 3.020 -2.675 11.884 1.00 0.00 C ATOM 942 CG GLU A 62 3.120 -1.200 12.260 1.00 0.00 C ATOM 943 CD GLU A 62 2.909 -0.946 13.743 1.00 0.00 C ATOM 944 OE1 GLU A 62 1.752 -1.029 14.211 1.00 0.00 O ATOM 945 OE2 GLU A 62 3.897 -0.656 14.451 1.00 0.00 O ATOM 0 H GLU A 62 1.534 -1.792 10.096 1.00 0.00 H new ATOM 0 HA GLU A 62 4.284 -2.637 10.147 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.030 -3.044 12.153 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.742 -3.242 12.472 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.100 -0.823 11.969 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.380 -0.636 11.692 1.00 0.00 H new ATOM 952 N ALA A 63 4.246 -5.065 9.687 1.00 0.00 N ATOM 953 CA ALA A 63 4.256 -6.458 9.217 1.00 0.00 C ATOM 954 C ALA A 63 3.805 -7.474 10.285 1.00 0.00 C ATOM 955 O ALA A 63 2.918 -8.291 10.036 1.00 0.00 O ATOM 956 CB ALA A 63 5.649 -6.812 8.713 1.00 0.00 C ATOM 0 H ALA A 63 5.164 -4.621 9.682 1.00 0.00 H new ATOM 0 HA ALA A 63 3.527 -6.524 8.409 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.658 -7.845 8.364 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.918 -6.149 7.891 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.369 -6.696 9.523 1.00 0.00 H new ATOM 962 N GLU A 64 4.414 -7.426 11.470 1.00 0.00 N ATOM 963 CA GLU A 64 4.134 -8.421 12.521 1.00 0.00 C ATOM 964 C GLU A 64 2.647 -8.431 12.950 1.00 0.00 C ATOM 965 O GLU A 64 2.041 -9.502 13.037 1.00 0.00 O ATOM 966 CB GLU A 64 5.036 -8.218 13.754 1.00 0.00 C ATOM 967 CG GLU A 64 6.533 -8.175 13.450 1.00 0.00 C ATOM 968 CD GLU A 64 7.029 -6.778 13.105 1.00 0.00 C ATOM 969 OE1 GLU A 64 6.956 -6.385 11.924 1.00 0.00 O ATOM 970 OE2 GLU A 64 7.492 -6.066 14.022 1.00 0.00 O ATOM 0 H GLU A 64 5.100 -6.717 11.731 1.00 0.00 H new ATOM 0 HA GLU A 64 4.359 -9.392 12.079 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.752 -7.288 14.246 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.846 -9.024 14.463 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.084 -8.548 14.313 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.749 -8.847 12.619 1.00 0.00 H new ATOM 977 N PRO A 65 2.028 -7.256 13.247 1.00 0.00 N ATOM 978 CA PRO A 65 0.592 -7.188 13.588 1.00 0.00 C ATOM 979 C PRO A 65 -0.338 -7.636 12.445 1.00 0.00 C ATOM 980 O PRO A 65 -1.518 -7.909 12.677 1.00 0.00 O ATOM 981 CB PRO A 65 0.361 -5.702 13.915 1.00 0.00 C ATOM 982 CG PRO A 65 1.717 -5.158 14.211 1.00 0.00 C ATOM 983 CD PRO A 65 2.658 -5.922 13.323 1.00 0.00 C ATOM 0 HA PRO A 65 0.357 -7.866 14.408 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.099 -5.180 13.076 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.307 -5.585 14.769 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.764 -4.089 14.005 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.973 -5.292 15.262 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.749 -5.461 12.339 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.661 -5.972 13.746 1.00 0.00 H new ATOM 991 N LEU A 66 0.187 -7.708 11.219 1.00 0.00 N ATOM 992 CA LEU A 66 -0.610 -8.130 10.056 1.00 0.00 C ATOM 993 C LEU A 66 -1.057 -9.596 10.205 1.00 0.00 C ATOM 994 O LEU A 66 -2.250 -9.885 10.332 1.00 0.00 O ATOM 995 CB LEU A 66 0.206 -7.935 8.758 1.00 0.00 C ATOM 996 CG LEU A 66 -0.585 -7.933 7.428 1.00 0.00 C ATOM 997 CD1 LEU A 66 0.327 -7.538 6.268 1.00 0.00 C ATOM 998 CD2 LEU A 66 -1.230 -9.293 7.150 1.00 0.00 C ATOM 0 H LEU A 66 1.158 -7.481 11.003 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.505 -7.511 10.002 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.744 -6.990 8.834 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.955 -8.725 8.706 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.384 -7.198 7.523 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.244 -7.541 5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.728 -6.540 6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.148 -8.251 6.192 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.776 -9.251 6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.455 -10.057 7.087 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.919 -9.541 7.958 1.00 0.00 H new ATOM 1010 N GLY A 67 -0.098 -10.522 10.191 1.00 0.00 N ATOM 1011 CA GLY A 67 -0.430 -11.939 10.301 1.00 0.00 C ATOM 1012 C GLY A 67 0.552 -12.867 9.584 1.00 0.00 C ATOM 1013 O GLY A 67 1.764 -12.680 9.658 1.00 0.00 O ATOM 0 H GLY A 67 0.898 -10.320 10.106 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.467 -12.212 11.356 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.428 -12.100 9.895 1.00 0.00 H new ATOM 1017 N GLU A 68 0.014 -13.867 8.883 1.00 0.00 N ATOM 1018 CA GLU A 68 0.826 -14.933 8.267 1.00 0.00 C ATOM 1019 C GLU A 68 0.981 -14.752 6.743 1.00 0.00 C ATOM 1020 O GLU A 68 1.926 -15.262 6.133 1.00 0.00 O ATOM 1021 CB GLU A 68 0.161 -16.290 8.557 1.00 0.00 C ATOM 1022 CG GLU A 68 0.902 -17.499 7.994 1.00 0.00 C ATOM 1023 CD GLU A 68 0.132 -18.793 8.201 1.00 0.00 C ATOM 1024 OE1 GLU A 68 0.308 -19.440 9.257 1.00 0.00 O ATOM 1025 OE2 GLU A 68 -0.664 -19.166 7.311 1.00 0.00 O ATOM 0 H GLU A 68 -0.989 -13.966 8.724 1.00 0.00 H new ATOM 0 HA GLU A 68 1.825 -14.886 8.700 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.067 -16.409 9.636 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.849 -16.278 8.148 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.079 -17.350 6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.878 -17.579 8.472 1.00 0.00 H new ATOM 1032 N ASP A 69 0.066 -14.002 6.139 1.00 0.00 N ATOM 1033 CA ASP A 69 -0.043 -13.917 4.674 1.00 0.00 C ATOM 1034 C ASP A 69 1.010 -12.978 4.048 1.00 0.00 C ATOM 1035 O ASP A 69 0.773 -12.386 2.994 1.00 0.00 O ATOM 1036 CB ASP A 69 -1.455 -13.444 4.314 1.00 0.00 C ATOM 1037 CG ASP A 69 -2.519 -14.243 5.045 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -2.730 -13.987 6.249 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -3.141 -15.133 4.430 1.00 0.00 O ATOM 0 H ASP A 69 -0.620 -13.437 6.640 1.00 0.00 H new ATOM 0 HA ASP A 69 0.148 -14.909 4.264 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.559 -12.388 4.562 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.606 -13.536 3.238 1.00 0.00 H new ATOM 1044 N LEU A 70 2.181 -12.875 4.678 1.00 0.00 N ATOM 1045 CA LEU A 70 3.254 -11.994 4.196 1.00 0.00 C ATOM 1046 C LEU A 70 4.463 -12.796 3.683 1.00 0.00 C ATOM 1047 O LEU A 70 4.842 -13.817 4.264 1.00 0.00 O ATOM 1048 CB LEU A 70 3.704 -11.054 5.325 1.00 0.00 C ATOM 1049 CG LEU A 70 4.822 -10.060 4.954 1.00 0.00 C ATOM 1050 CD1 LEU A 70 4.345 -9.073 3.888 1.00 0.00 C ATOM 1051 CD2 LEU A 70 5.321 -9.319 6.191 1.00 0.00 C ATOM 0 H LEU A 70 2.414 -13.391 5.526 1.00 0.00 H new ATOM 0 HA LEU A 70 2.856 -11.413 3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.838 -10.488 5.670 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.044 -11.660 6.165 1.00 0.00 H new ATOM 0 HG LEU A 70 5.654 -10.629 4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.152 -8.383 3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.051 -9.619 2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.491 -8.512 4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.110 -8.623 5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.496 -8.767 6.642 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.714 -10.037 6.911 1.00 0.00 H new ATOM 1063 N LYS A 71 5.056 -12.328 2.586 1.00 0.00 N ATOM 1064 CA LYS A 71 6.289 -12.921 2.047 1.00 0.00 C ATOM 1065 C LYS A 71 7.134 -11.876 1.305 1.00 0.00 C ATOM 1066 O LYS A 71 6.638 -11.181 0.417 1.00 0.00 O ATOM 1067 CB LYS A 71 5.962 -14.072 1.086 1.00 0.00 C ATOM 1068 CG LYS A 71 7.200 -14.729 0.477 1.00 0.00 C ATOM 1069 CD LYS A 71 6.844 -15.668 -0.674 1.00 0.00 C ATOM 1070 CE LYS A 71 8.083 -16.338 -1.260 1.00 0.00 C ATOM 1071 NZ LYS A 71 7.757 -17.166 -2.453 1.00 0.00 N ATOM 0 H LYS A 71 4.704 -11.536 2.048 1.00 0.00 H new ATOM 0 HA LYS A 71 6.860 -13.302 2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.385 -14.827 1.620 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.328 -13.695 0.283 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.880 -13.957 0.117 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.731 -15.287 1.249 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.151 -16.431 -0.320 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.330 -15.108 -1.455 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.811 -15.575 -1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.550 -16.965 -0.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.259 -18.075 -2.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.732 -17.339 -2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.052 -16.664 -3.315 1.00 0.00 H new ATOM 1085 N TRP A 72 8.411 -11.772 1.656 1.00 0.00 N ATOM 1086 CA TRP A 72 9.328 -10.874 0.948 1.00 0.00 C ATOM 1087 C TRP A 72 9.752 -11.488 -0.397 1.00 0.00 C ATOM 1088 O TRP A 72 10.776 -12.168 -0.499 1.00 0.00 O ATOM 1089 CB TRP A 72 10.555 -10.561 1.814 1.00 0.00 C ATOM 1090 CG TRP A 72 10.225 -9.783 3.057 1.00 0.00 C ATOM 1091 CD1 TRP A 72 9.730 -10.278 4.231 1.00 0.00 C ATOM 1092 CD2 TRP A 72 10.365 -8.367 3.247 1.00 0.00 C ATOM 1093 NE1 TRP A 72 9.557 -9.259 5.135 1.00 0.00 N ATOM 1094 CE2 TRP A 72 9.940 -8.078 4.556 1.00 0.00 C ATOM 1095 CE3 TRP A 72 10.813 -7.318 2.438 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 9.947 -6.786 5.075 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 10.818 -6.035 2.952 1.00 0.00 C ATOM 1098 CH2 TRP A 72 10.388 -5.778 4.259 1.00 0.00 C ATOM 0 H TRP A 72 8.837 -12.294 2.422 1.00 0.00 H new ATOM 0 HA TRP A 72 8.807 -9.938 0.747 1.00 0.00 H new ATOM 0 HB2 TRP A 72 11.039 -11.496 2.097 1.00 0.00 H new ATOM 0 HB3 TRP A 72 11.275 -9.996 1.221 1.00 0.00 H new ATOM 0 HD1 TRP A 72 9.508 -11.318 4.420 1.00 0.00 H new ATOM 0 HE1 TRP A 72 9.201 -9.364 6.085 1.00 0.00 H new ATOM 0 HE3 TRP A 72 11.149 -7.507 1.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.617 -6.586 6.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 11.159 -5.217 2.335 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.404 -4.764 4.632 1.00 0.00 H new ATOM 1109 N GLU A 73 8.938 -11.259 -1.422 1.00 0.00 N ATOM 1110 CA GLU A 73 9.152 -11.862 -2.741 1.00 0.00 C ATOM 1111 C GLU A 73 9.924 -10.915 -3.674 1.00 0.00 C ATOM 1112 O GLU A 73 9.465 -9.811 -3.969 1.00 0.00 O ATOM 1113 CB GLU A 73 7.792 -12.220 -3.363 1.00 0.00 C ATOM 1114 CG GLU A 73 7.876 -12.878 -4.739 1.00 0.00 C ATOM 1115 CD GLU A 73 8.529 -14.250 -4.705 1.00 0.00 C ATOM 1116 OE1 GLU A 73 7.844 -15.230 -4.341 1.00 0.00 O ATOM 1117 OE2 GLU A 73 9.727 -14.358 -5.036 1.00 0.00 O ATOM 0 H GLU A 73 8.117 -10.656 -1.368 1.00 0.00 H new ATOM 0 HA GLU A 73 9.751 -12.764 -2.614 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.263 -12.890 -2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.194 -11.312 -3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.872 -12.970 -5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.439 -12.231 -5.411 1.00 0.00 H new ATOM 1124 N ALA A 74 11.096 -11.348 -4.134 1.00 0.00 N ATOM 1125 CA ALA A 74 11.884 -10.565 -5.093 1.00 0.00 C ATOM 1126 C ALA A 74 11.299 -10.683 -6.508 1.00 0.00 C ATOM 1127 O ALA A 74 11.933 -11.223 -7.420 1.00 0.00 O ATOM 1128 CB ALA A 74 13.343 -11.008 -5.072 1.00 0.00 C ATOM 0 H ALA A 74 11.523 -12.233 -3.861 1.00 0.00 H new ATOM 0 HA ALA A 74 11.839 -9.517 -4.797 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.913 -10.417 -5.789 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.753 -10.861 -4.073 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.407 -12.063 -5.339 1.00 0.00 H new ATOM 1134 N SER A 75 10.080 -10.179 -6.678 1.00 0.00 N ATOM 1135 CA SER A 75 9.351 -10.297 -7.945 1.00 0.00 C ATOM 1136 C SER A 75 9.852 -9.297 -8.993 1.00 0.00 C ATOM 1137 O SER A 75 9.190 -8.294 -9.274 1.00 0.00 O ATOM 1138 CB SER A 75 7.844 -10.104 -7.712 1.00 0.00 C ATOM 1139 OG SER A 75 7.573 -8.877 -7.041 1.00 0.00 O ATOM 0 H SER A 75 9.569 -9.680 -5.949 1.00 0.00 H new ATOM 0 HA SER A 75 9.534 -11.299 -8.332 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.322 -10.120 -8.669 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.456 -10.935 -7.123 1.00 0.00 H new ATOM 0 HG SER A 75 6.889 -9.023 -6.355 1.00 0.00 H new ATOM 1145 N ARG A 76 11.035 -9.575 -9.551 1.00 0.00 N ATOM 1146 CA ARG A 76 11.616 -8.769 -10.639 1.00 0.00 C ATOM 1147 C ARG A 76 12.012 -7.347 -10.189 1.00 0.00 C ATOM 1148 O ARG A 76 11.565 -6.850 -9.156 1.00 0.00 O ATOM 1149 CB ARG A 76 10.637 -8.710 -11.825 1.00 0.00 C ATOM 1150 CG ARG A 76 10.442 -10.057 -12.519 1.00 0.00 C ATOM 1151 CD ARG A 76 9.204 -10.073 -13.421 1.00 0.00 C ATOM 1152 NE ARG A 76 8.097 -10.831 -12.829 1.00 0.00 N ATOM 1153 CZ ARG A 76 7.206 -10.333 -12.012 1.00 0.00 C ATOM 1154 NH1 ARG A 76 7.282 -9.106 -11.610 1.00 0.00 N ATOM 1155 NH2 ARG A 76 6.238 -11.074 -11.583 1.00 0.00 N ATOM 0 H ARG A 76 11.618 -10.362 -9.265 1.00 0.00 H new ATOM 0 HA ARG A 76 12.538 -9.261 -10.948 1.00 0.00 H new ATOM 0 HB2 ARG A 76 9.671 -8.349 -11.472 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.002 -7.985 -12.552 1.00 0.00 H new ATOM 0 HG2 ARG A 76 11.325 -10.288 -13.114 1.00 0.00 H new ATOM 0 HG3 ARG A 76 10.351 -10.841 -11.767 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.881 -9.049 -13.610 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.465 -10.508 -14.386 1.00 0.00 H new ATOM 0 HE ARG A 76 8.016 -11.818 -13.072 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.046 -8.511 -11.931 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.578 -8.734 -10.972 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.169 -12.047 -11.882 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.543 -10.686 -10.946 1.00 0.00 H new ATOM 1169 N GLY A 77 12.876 -6.705 -10.975 1.00 0.00 N ATOM 1170 CA GLY A 77 13.303 -5.337 -10.681 1.00 0.00 C ATOM 1171 C GLY A 77 14.506 -5.271 -9.741 1.00 0.00 C ATOM 1172 O GLY A 77 15.571 -4.774 -10.115 1.00 0.00 O ATOM 0 H GLY A 77 13.292 -7.107 -11.815 1.00 0.00 H new ATOM 0 HA2 GLY A 77 13.551 -4.832 -11.615 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.471 -4.791 -10.235 1.00 0.00 H new ATOM 1176 N GLY A 78 14.331 -5.753 -8.514 1.00 0.00 N ATOM 1177 CA GLY A 78 15.427 -5.764 -7.546 1.00 0.00 C ATOM 1178 C GLY A 78 14.953 -5.655 -6.101 1.00 0.00 C ATOM 1179 O GLY A 78 13.926 -5.033 -5.828 1.00 0.00 O ATOM 0 H GLY A 78 13.452 -6.137 -8.168 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.999 -6.684 -7.665 1.00 0.00 H new ATOM 0 HA3 GLY A 78 16.103 -4.937 -7.763 1.00 0.00 H new ATOM 1183 N ALA A 79 15.719 -6.249 -5.177 1.00 0.00 N ATOM 1184 CA ALA A 79 15.377 -6.263 -3.744 1.00 0.00 C ATOM 1185 C ALA A 79 14.128 -7.122 -3.462 1.00 0.00 C ATOM 1186 O ALA A 79 13.663 -7.862 -4.328 1.00 0.00 O ATOM 1187 CB ALA A 79 15.201 -4.840 -3.210 1.00 0.00 C ATOM 0 H ALA A 79 16.590 -6.732 -5.398 1.00 0.00 H new ATOM 0 HA ALA A 79 16.211 -6.723 -3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 79 14.949 -4.878 -2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 79 16.129 -4.284 -3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.399 -4.343 -3.756 1.00 0.00 H new ATOM 1193 N ARG A 80 13.602 -7.040 -2.239 1.00 0.00 N ATOM 1194 CA ARG A 80 12.449 -7.861 -1.835 1.00 0.00 C ATOM 1195 C ARG A 80 11.148 -7.045 -1.778 1.00 0.00 C ATOM 1196 O ARG A 80 11.046 -6.053 -1.051 1.00 0.00 O ATOM 1197 CB ARG A 80 12.694 -8.520 -0.465 1.00 0.00 C ATOM 1198 CG ARG A 80 13.773 -9.602 -0.459 1.00 0.00 C ATOM 1199 CD ARG A 80 15.181 -9.018 -0.506 1.00 0.00 C ATOM 1200 NE ARG A 80 16.197 -10.066 -0.528 1.00 0.00 N ATOM 1201 CZ ARG A 80 17.157 -10.184 0.349 1.00 0.00 C ATOM 1202 NH1 ARG A 80 17.265 -9.350 1.334 1.00 0.00 N ATOM 1203 NH2 ARG A 80 18.011 -11.149 0.241 1.00 0.00 N ATOM 0 H ARG A 80 13.951 -6.417 -1.510 1.00 0.00 H new ATOM 0 HA ARG A 80 12.337 -8.633 -2.597 1.00 0.00 H new ATOM 0 HB2 ARG A 80 12.971 -7.746 0.251 1.00 0.00 H new ATOM 0 HB3 ARG A 80 11.759 -8.957 -0.115 1.00 0.00 H new ATOM 0 HG2 ARG A 80 13.666 -10.213 0.437 1.00 0.00 H new ATOM 0 HG3 ARG A 80 13.627 -10.262 -1.314 1.00 0.00 H new ATOM 0 HD2 ARG A 80 15.286 -8.390 -1.391 1.00 0.00 H new ATOM 0 HD3 ARG A 80 15.338 -8.376 0.361 1.00 0.00 H new ATOM 0 HE ARG A 80 16.154 -10.753 -1.280 1.00 0.00 H new ATOM 0 HH11 ARG A 80 16.594 -8.588 1.433 1.00 0.00 H new ATOM 0 HH12 ARG A 80 18.021 -9.455 2.011 1.00 0.00 H new ATOM 0 HH21 ARG A 80 17.933 -11.815 -0.528 1.00 0.00 H new ATOM 0 HH22 ARG A 80 18.762 -11.244 0.924 1.00 0.00 H new ATOM 1217 N PHE A 81 10.147 -7.480 -2.538 1.00 0.00 N ATOM 1218 CA PHE A 81 8.820 -6.856 -2.513 1.00 0.00 C ATOM 1219 C PHE A 81 7.845 -7.666 -1.639 1.00 0.00 C ATOM 1220 O PHE A 81 7.481 -8.794 -1.985 1.00 0.00 O ATOM 1221 CB PHE A 81 8.260 -6.735 -3.940 1.00 0.00 C ATOM 1222 CG PHE A 81 9.092 -5.865 -4.847 1.00 0.00 C ATOM 1223 CD1 PHE A 81 10.155 -6.398 -5.565 1.00 0.00 C ATOM 1224 CD2 PHE A 81 8.810 -4.512 -4.981 1.00 0.00 C ATOM 1225 CE1 PHE A 81 10.918 -5.599 -6.394 1.00 0.00 C ATOM 1226 CE2 PHE A 81 9.571 -3.711 -5.809 1.00 0.00 C ATOM 1227 CZ PHE A 81 10.626 -4.254 -6.517 1.00 0.00 C ATOM 0 H PHE A 81 10.227 -8.266 -3.183 1.00 0.00 H new ATOM 0 HA PHE A 81 8.926 -5.860 -2.082 1.00 0.00 H new ATOM 0 HB2 PHE A 81 8.184 -7.731 -4.376 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.249 -6.331 -3.891 1.00 0.00 H new ATOM 0 HD1 PHE A 81 10.387 -7.449 -5.474 1.00 0.00 H new ATOM 0 HD2 PHE A 81 7.986 -4.081 -4.431 1.00 0.00 H new ATOM 0 HE1 PHE A 81 11.743 -6.025 -6.946 1.00 0.00 H new ATOM 0 HE2 PHE A 81 9.342 -2.660 -5.903 1.00 0.00 H new ATOM 0 HZ PHE A 81 11.221 -3.628 -7.165 1.00 0.00 H new ATOM 1237 N PRO A 82 7.442 -7.123 -0.474 1.00 0.00 N ATOM 1238 CA PRO A 82 6.431 -7.757 0.392 1.00 0.00 C ATOM 1239 C PRO A 82 5.099 -8.036 -0.334 1.00 0.00 C ATOM 1240 O PRO A 82 4.379 -7.112 -0.717 1.00 0.00 O ATOM 1241 CB PRO A 82 6.224 -6.726 1.515 1.00 0.00 C ATOM 1242 CG PRO A 82 7.484 -5.929 1.539 1.00 0.00 C ATOM 1243 CD PRO A 82 7.964 -5.872 0.114 1.00 0.00 C ATOM 0 HA PRO A 82 6.763 -8.735 0.741 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.359 -6.093 1.316 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.047 -7.215 2.473 1.00 0.00 H new ATOM 0 HG2 PRO A 82 7.305 -4.928 1.931 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.229 -6.396 2.184 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.580 -4.994 -0.404 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.052 -5.825 0.058 1.00 0.00 H new ATOM 1251 N HIS A 83 4.797 -9.317 -0.545 1.00 0.00 N ATOM 1252 CA HIS A 83 3.513 -9.739 -1.119 1.00 0.00 C ATOM 1253 C HIS A 83 2.523 -10.150 -0.015 1.00 0.00 C ATOM 1254 O HIS A 83 2.872 -10.909 0.893 1.00 0.00 O ATOM 1255 CB HIS A 83 3.716 -10.916 -2.088 1.00 0.00 C ATOM 1256 CG HIS A 83 4.376 -10.552 -3.391 1.00 0.00 C ATOM 1257 ND1 HIS A 83 4.177 -11.270 -4.549 1.00 0.00 N ATOM 1258 CD2 HIS A 83 5.247 -9.564 -3.719 1.00 0.00 C ATOM 1259 CE1 HIS A 83 4.886 -10.746 -5.525 1.00 0.00 C ATOM 1260 NE2 HIS A 83 5.547 -9.710 -5.053 1.00 0.00 N ATOM 0 H HIS A 83 5.428 -10.088 -0.326 1.00 0.00 H new ATOM 0 HA HIS A 83 3.099 -8.890 -1.664 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.318 -11.678 -1.592 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.746 -11.365 -2.301 1.00 0.00 H new ATOM 0 HD1 HIS A 83 3.571 -12.086 -4.637 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.633 -8.804 -3.055 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.920 -11.105 -6.543 1.00 0.00 H new ATOM 1269 N LEU A 84 1.294 -9.644 -0.105 1.00 0.00 N ATOM 1270 CA LEU A 84 0.231 -9.993 0.845 1.00 0.00 C ATOM 1271 C LEU A 84 -0.819 -10.904 0.185 1.00 0.00 C ATOM 1272 O LEU A 84 -1.579 -10.469 -0.682 1.00 0.00 O ATOM 1273 CB LEU A 84 -0.437 -8.718 1.383 1.00 0.00 C ATOM 1274 CG LEU A 84 -1.594 -8.947 2.372 1.00 0.00 C ATOM 1275 CD1 LEU A 84 -1.120 -9.726 3.595 1.00 0.00 C ATOM 1276 CD2 LEU A 84 -2.216 -7.616 2.790 1.00 0.00 C ATOM 0 H LEU A 84 1.006 -8.987 -0.830 1.00 0.00 H new ATOM 0 HA LEU A 84 0.680 -10.537 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.323 -8.109 1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.812 -8.140 0.538 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.357 -9.540 1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.956 -9.875 4.278 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.731 -10.695 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.333 -9.166 4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.032 -7.799 3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.459 -6.996 3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.601 -7.102 1.909 1.00 0.00 H new ATOM 1288 N TYR A 85 -0.876 -12.161 0.624 1.00 0.00 N ATOM 1289 CA TYR A 85 -1.735 -13.180 -0.005 1.00 0.00 C ATOM 1290 C TYR A 85 -3.213 -13.092 0.433 1.00 0.00 C ATOM 1291 O TYR A 85 -3.925 -14.101 0.434 1.00 0.00 O ATOM 1292 CB TYR A 85 -1.178 -14.581 0.295 1.00 0.00 C ATOM 1293 CG TYR A 85 0.155 -14.860 -0.378 1.00 0.00 C ATOM 1294 CD1 TYR A 85 0.205 -15.335 -1.685 1.00 0.00 C ATOM 1295 CD2 TYR A 85 1.359 -14.650 0.288 1.00 0.00 C ATOM 1296 CE1 TYR A 85 1.411 -15.590 -2.307 1.00 0.00 C ATOM 1297 CE2 TYR A 85 2.570 -14.903 -0.330 1.00 0.00 C ATOM 1298 CZ TYR A 85 2.590 -15.375 -1.627 1.00 0.00 C ATOM 1299 OH TYR A 85 3.794 -15.628 -2.250 1.00 0.00 O ATOM 0 H TYR A 85 -0.336 -12.506 1.418 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.721 -12.987 -1.078 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.063 -14.694 1.373 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.903 -15.328 -0.028 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.716 -15.507 -2.222 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.347 -14.284 1.304 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.430 -15.957 -3.323 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.496 -14.732 0.200 1.00 0.00 H new ATOM 0 HH TYR A 85 3.700 -15.482 -3.215 1.00 0.00 H new ATOM 1309 N ARG A 86 -3.686 -11.889 0.761 1.00 0.00 N ATOM 1310 CA ARG A 86 -5.095 -11.688 1.131 1.00 0.00 C ATOM 1311 C ARG A 86 -5.508 -10.211 0.991 1.00 0.00 C ATOM 1312 O ARG A 86 -4.663 -9.317 1.067 1.00 0.00 O ATOM 1313 CB ARG A 86 -5.353 -12.164 2.573 1.00 0.00 C ATOM 1314 CG ARG A 86 -4.740 -11.271 3.649 1.00 0.00 C ATOM 1315 CD ARG A 86 -5.092 -11.762 5.050 1.00 0.00 C ATOM 1316 NE ARG A 86 -4.642 -10.842 6.094 1.00 0.00 N ATOM 1317 CZ ARG A 86 -4.494 -11.176 7.349 1.00 0.00 C ATOM 1318 NH1 ARG A 86 -4.674 -12.399 7.732 1.00 0.00 N ATOM 1319 NH2 ARG A 86 -4.154 -10.282 8.216 1.00 0.00 N ATOM 0 H ARG A 86 -3.120 -11.040 0.779 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.699 -12.281 0.445 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -6.429 -12.223 2.736 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.957 -13.173 2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.657 -11.249 3.531 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.095 -10.249 3.521 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.172 -11.892 5.125 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.640 -12.741 5.213 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.431 -9.881 5.826 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.934 -13.113 7.052 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.556 -12.649 8.714 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.002 -9.318 7.921 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.038 -10.540 9.196 1.00 0.00 H new ATOM 1333 N PRO A 87 -6.814 -9.934 0.768 1.00 0.00 N ATOM 1334 CA PRO A 87 -7.338 -8.554 0.736 1.00 0.00 C ATOM 1335 C PRO A 87 -7.065 -7.794 2.047 1.00 0.00 C ATOM 1336 O PRO A 87 -7.536 -8.185 3.119 1.00 0.00 O ATOM 1337 CB PRO A 87 -8.850 -8.747 0.523 1.00 0.00 C ATOM 1338 CG PRO A 87 -8.976 -10.098 -0.097 1.00 0.00 C ATOM 1339 CD PRO A 87 -7.877 -10.927 0.511 1.00 0.00 C ATOM 0 HA PRO A 87 -6.862 -7.955 -0.041 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -9.393 -8.692 1.467 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -9.260 -7.974 -0.126 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.954 -10.533 0.108 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -8.872 -10.043 -1.181 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.202 -11.417 1.429 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.541 -11.711 -0.167 1.00 0.00 H new ATOM 1347 N LEU A 88 -6.305 -6.707 1.951 1.00 0.00 N ATOM 1348 CA LEU A 88 -5.917 -5.916 3.122 1.00 0.00 C ATOM 1349 C LEU A 88 -7.107 -5.114 3.666 1.00 0.00 C ATOM 1350 O LEU A 88 -7.472 -4.073 3.117 1.00 0.00 O ATOM 1351 CB LEU A 88 -4.760 -4.970 2.760 1.00 0.00 C ATOM 1352 CG LEU A 88 -4.245 -4.076 3.905 1.00 0.00 C ATOM 1353 CD1 LEU A 88 -3.719 -4.919 5.066 1.00 0.00 C ATOM 1354 CD2 LEU A 88 -3.165 -3.124 3.394 1.00 0.00 C ATOM 0 H LEU A 88 -5.941 -6.349 1.068 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.587 -6.602 3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.928 -5.569 2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.082 -4.329 1.940 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.081 -3.483 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.362 -4.263 5.860 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.521 -5.550 5.450 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.899 -5.546 4.718 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.812 -2.500 4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.332 -3.701 2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.579 -2.491 2.609 1.00 0.00 H new ATOM 1366 N LEU A 89 -7.725 -5.613 4.732 1.00 0.00 N ATOM 1367 CA LEU A 89 -8.852 -4.918 5.361 1.00 0.00 C ATOM 1368 C LEU A 89 -8.429 -3.517 5.824 1.00 0.00 C ATOM 1369 O LEU A 89 -7.411 -3.362 6.500 1.00 0.00 O ATOM 1370 CB LEU A 89 -9.382 -5.721 6.561 1.00 0.00 C ATOM 1371 CG LEU A 89 -9.784 -7.176 6.266 1.00 0.00 C ATOM 1372 CD1 LEU A 89 -10.387 -7.827 7.507 1.00 0.00 C ATOM 1373 CD2 LEU A 89 -10.757 -7.251 5.093 1.00 0.00 C ATOM 0 H LEU A 89 -7.468 -6.493 5.180 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.646 -4.823 4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.617 -5.725 7.338 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.248 -5.200 6.969 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.884 -7.725 5.990 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.665 -8.856 7.279 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.655 -7.819 8.314 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.273 -7.271 7.815 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.024 -8.291 4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.656 -6.683 5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.287 -6.833 4.203 1.00 0.00 H new ATOM 1385 N VAL A 90 -9.209 -2.500 5.463 1.00 0.00 N ATOM 1386 CA VAL A 90 -8.909 -1.122 5.871 1.00 0.00 C ATOM 1387 C VAL A 90 -8.810 -1.013 7.401 1.00 0.00 C ATOM 1388 O VAL A 90 -7.986 -0.265 7.934 1.00 0.00 O ATOM 1389 CB VAL A 90 -9.972 -0.132 5.332 1.00 0.00 C ATOM 1390 CG1 VAL A 90 -9.704 1.291 5.824 1.00 0.00 C ATOM 1391 CG2 VAL A 90 -10.008 -0.177 3.805 1.00 0.00 C ATOM 0 H VAL A 90 -10.049 -2.599 4.893 1.00 0.00 H new ATOM 0 HA VAL A 90 -7.944 -0.855 5.439 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.946 -0.437 5.715 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.467 1.962 5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.732 1.311 6.913 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.722 1.616 5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.759 0.523 3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.030 0.099 3.410 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.261 -1.185 3.477 1.00 0.00 H new ATOM 1401 N SER A 91 -9.625 -1.801 8.098 1.00 0.00 N ATOM 1402 CA SER A 91 -9.591 -1.853 9.569 1.00 0.00 C ATOM 1403 C SER A 91 -8.238 -2.359 10.093 1.00 0.00 C ATOM 1404 O SER A 91 -7.831 -2.026 11.206 1.00 0.00 O ATOM 1405 CB SER A 91 -10.715 -2.756 10.096 1.00 0.00 C ATOM 1406 OG SER A 91 -10.660 -4.048 9.501 1.00 0.00 O ATOM 0 H SER A 91 -10.320 -2.415 7.673 1.00 0.00 H new ATOM 0 HA SER A 91 -9.735 -0.835 9.932 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.633 -2.848 11.179 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.681 -2.297 9.887 1.00 0.00 H new ATOM 0 HG SER A 91 -11.386 -4.603 9.856 1.00 0.00 H new ATOM 1412 N GLU A 92 -7.548 -3.159 9.282 1.00 0.00 N ATOM 1413 CA GLU A 92 -6.253 -3.738 9.662 1.00 0.00 C ATOM 1414 C GLU A 92 -5.080 -2.798 9.325 1.00 0.00 C ATOM 1415 O GLU A 92 -3.982 -2.939 9.874 1.00 0.00 O ATOM 1416 CB GLU A 92 -6.075 -5.097 8.963 1.00 0.00 C ATOM 1417 CG GLU A 92 -4.715 -5.753 9.195 1.00 0.00 C ATOM 1418 CD GLU A 92 -4.732 -7.243 8.914 1.00 0.00 C ATOM 1419 OE1 GLU A 92 -4.614 -7.649 7.739 1.00 0.00 O ATOM 1420 OE2 GLU A 92 -4.881 -8.023 9.879 1.00 0.00 O ATOM 0 H GLU A 92 -7.864 -3.425 8.349 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.248 -3.879 10.743 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.855 -5.775 9.309 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.222 -4.963 7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.971 -5.275 8.557 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.406 -5.585 10.227 1.00 0.00 H new ATOM 1427 N VAL A 93 -5.321 -1.832 8.437 1.00 0.00 N ATOM 1428 CA VAL A 93 -4.281 -0.881 8.024 1.00 0.00 C ATOM 1429 C VAL A 93 -3.823 -0.009 9.204 1.00 0.00 C ATOM 1430 O VAL A 93 -4.600 0.770 9.755 1.00 0.00 O ATOM 1431 CB VAL A 93 -4.777 0.026 6.869 1.00 0.00 C ATOM 1432 CG1 VAL A 93 -3.684 0.995 6.414 1.00 0.00 C ATOM 1433 CG2 VAL A 93 -5.278 -0.824 5.703 1.00 0.00 C ATOM 0 H VAL A 93 -6.226 -1.685 7.989 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.433 -1.467 7.671 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.609 0.624 7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.064 1.617 5.603 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.389 1.629 7.250 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.820 0.430 6.064 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.623 -0.173 4.900 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.467 -1.453 5.337 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.102 -1.453 6.039 1.00 0.00 H new ATOM 1443 N THR A 94 -2.554 -0.147 9.577 1.00 0.00 N ATOM 1444 CA THR A 94 -2.003 0.526 10.748 1.00 0.00 C ATOM 1445 C THR A 94 -1.848 2.043 10.555 1.00 0.00 C ATOM 1446 O THR A 94 -2.209 2.823 11.441 1.00 0.00 O ATOM 1447 CB THR A 94 -0.636 -0.082 11.116 1.00 0.00 C ATOM 1448 OG1 THR A 94 0.249 -0.022 9.995 1.00 0.00 O ATOM 1449 CG2 THR A 94 -0.784 -1.533 11.570 1.00 0.00 C ATOM 0 H THR A 94 -1.880 -0.727 9.077 1.00 0.00 H new ATOM 0 HA THR A 94 -2.718 0.373 11.556 1.00 0.00 H new ATOM 0 HB THR A 94 -0.222 0.500 11.939 1.00 0.00 H new ATOM 0 HG1 THR A 94 0.523 0.907 9.844 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.196 -1.937 11.823 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.432 -1.576 12.446 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.222 -2.123 10.765 1.00 0.00 H new ATOM 1457 N ARG A 95 -1.291 2.469 9.417 1.00 0.00 N ATOM 1458 CA ARG A 95 -1.116 3.905 9.147 1.00 0.00 C ATOM 1459 C ARG A 95 -1.303 4.271 7.663 1.00 0.00 C ATOM 1460 O ARG A 95 -0.943 3.517 6.759 1.00 0.00 O ATOM 1461 CB ARG A 95 0.266 4.371 9.630 1.00 0.00 C ATOM 1462 CG ARG A 95 0.576 5.839 9.333 1.00 0.00 C ATOM 1463 CD ARG A 95 1.876 6.288 9.995 1.00 0.00 C ATOM 1464 NE ARG A 95 1.777 6.277 11.454 1.00 0.00 N ATOM 1465 CZ ARG A 95 2.779 6.051 12.259 1.00 0.00 C ATOM 1466 NH1 ARG A 95 3.963 5.811 11.794 1.00 0.00 N ATOM 1467 NH2 ARG A 95 2.596 6.069 13.536 1.00 0.00 N ATOM 0 H ARG A 95 -0.957 1.853 8.676 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.900 4.422 9.701 1.00 0.00 H new ATOM 0 HB2 ARG A 95 0.336 4.208 10.705 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.030 3.749 9.163 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.648 5.985 8.255 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.246 6.463 9.685 1.00 0.00 H new ATOM 0 HD2 ARG A 95 2.688 5.632 9.681 1.00 0.00 H new ATOM 0 HD3 ARG A 95 2.128 7.293 9.656 1.00 0.00 H new ATOM 0 HE ARG A 95 0.864 6.458 11.870 1.00 0.00 H new ATOM 0 HH11 ARG A 95 4.122 5.797 10.787 1.00 0.00 H new ATOM 0 HH12 ARG A 95 4.737 5.636 12.435 1.00 0.00 H new ATOM 0 HH21 ARG A 95 1.669 6.260 13.916 1.00 0.00 H new ATOM 0 HH22 ARG A 95 3.379 5.892 14.166 1.00 0.00 H new ATOM 1481 N GLU A 96 -1.866 5.455 7.442 1.00 0.00 N ATOM 1482 CA GLU A 96 -2.048 6.027 6.098 1.00 0.00 C ATOM 1483 C GLU A 96 -1.641 7.513 6.096 1.00 0.00 C ATOM 1484 O GLU A 96 -1.970 8.251 7.028 1.00 0.00 O ATOM 1485 CB GLU A 96 -3.515 5.882 5.654 1.00 0.00 C ATOM 1486 CG GLU A 96 -4.504 6.658 6.523 1.00 0.00 C ATOM 1487 CD GLU A 96 -5.956 6.423 6.136 1.00 0.00 C ATOM 1488 OE1 GLU A 96 -6.478 7.161 5.273 1.00 0.00 O ATOM 1489 OE2 GLU A 96 -6.586 5.508 6.706 1.00 0.00 O ATOM 0 H GLU A 96 -2.213 6.054 8.191 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.413 5.485 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.608 6.222 4.623 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.786 4.826 5.667 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.362 6.373 7.566 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.283 7.723 6.450 1.00 0.00 H new ATOM 1496 N ALA A 97 -0.913 7.953 5.070 1.00 0.00 N ATOM 1497 CA ALA A 97 -0.468 9.354 4.995 1.00 0.00 C ATOM 1498 C ALA A 97 -0.459 9.892 3.556 1.00 0.00 C ATOM 1499 O ALA A 97 0.253 9.372 2.700 1.00 0.00 O ATOM 1500 CB ALA A 97 0.919 9.489 5.612 1.00 0.00 C ATOM 0 H ALA A 97 -0.619 7.371 4.285 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.185 9.953 5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.244 10.528 5.554 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.885 9.177 6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.622 8.858 5.068 1.00 0.00 H new ATOM 1506 N ASP A 98 -1.242 10.940 3.299 1.00 0.00 N ATOM 1507 CA ASP A 98 -1.279 11.577 1.975 1.00 0.00 C ATOM 1508 C ASP A 98 0.046 12.318 1.685 1.00 0.00 C ATOM 1509 O ASP A 98 0.616 12.965 2.567 1.00 0.00 O ATOM 1510 CB ASP A 98 -2.477 12.537 1.895 1.00 0.00 C ATOM 1511 CG ASP A 98 -2.715 13.088 0.494 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -2.098 14.116 0.140 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -3.538 12.514 -0.252 1.00 0.00 O ATOM 0 H ASP A 98 -1.860 11.368 3.988 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.398 10.805 1.214 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.374 12.016 2.230 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.315 13.368 2.582 1.00 0.00 H new ATOM 1518 N LEU A 99 0.535 12.212 0.450 1.00 0.00 N ATOM 1519 CA LEU A 99 1.835 12.783 0.076 1.00 0.00 C ATOM 1520 C LEU A 99 1.720 14.238 -0.408 1.00 0.00 C ATOM 1521 O LEU A 99 1.249 14.502 -1.518 1.00 0.00 O ATOM 1522 CB LEU A 99 2.514 11.935 -1.021 1.00 0.00 C ATOM 1523 CG LEU A 99 3.062 10.560 -0.584 1.00 0.00 C ATOM 1524 CD1 LEU A 99 4.009 10.702 0.605 1.00 0.00 C ATOM 1525 CD2 LEU A 99 1.929 9.589 -0.267 1.00 0.00 C ATOM 0 H LEU A 99 0.052 11.736 -0.312 1.00 0.00 H new ATOM 0 HA LEU A 99 2.445 12.774 0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.795 11.777 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.337 12.514 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 99 3.629 10.148 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.381 9.719 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.848 11.341 0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.475 11.148 1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.347 8.629 0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.319 9.993 0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.310 9.450 -1.153 1.00 0.00 H new ATOM 1537 N ASP A 100 2.146 15.177 0.434 1.00 0.00 N ATOM 1538 CA ASP A 100 2.326 16.570 0.016 1.00 0.00 C ATOM 1539 C ASP A 100 3.695 16.721 -0.673 1.00 0.00 C ATOM 1540 O ASP A 100 4.716 16.952 -0.022 1.00 0.00 O ATOM 1541 CB ASP A 100 2.210 17.510 1.226 1.00 0.00 C ATOM 1542 CG ASP A 100 2.346 18.977 0.848 1.00 0.00 C ATOM 1543 OD1 ASP A 100 1.485 19.484 0.098 1.00 0.00 O ATOM 1544 OD2 ASP A 100 3.315 19.630 1.299 1.00 0.00 O ATOM 0 H ASP A 100 2.374 15.000 1.412 1.00 0.00 H new ATOM 0 HA ASP A 100 1.544 16.843 -0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.247 17.352 1.712 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.980 17.254 1.954 1.00 0.00 H new ATOM 1549 N LEU A 101 3.709 16.540 -1.989 1.00 0.00 N ATOM 1550 CA LEU A 101 4.959 16.467 -2.756 1.00 0.00 C ATOM 1551 C LEU A 101 5.448 17.837 -3.253 1.00 0.00 C ATOM 1552 O LEU A 101 4.669 18.779 -3.407 1.00 0.00 O ATOM 1553 CB LEU A 101 4.774 15.503 -3.932 1.00 0.00 C ATOM 1554 CG LEU A 101 4.703 14.019 -3.537 1.00 0.00 C ATOM 1555 CD1 LEU A 101 4.201 13.164 -4.698 1.00 0.00 C ATOM 1556 CD2 LEU A 101 6.073 13.536 -3.052 1.00 0.00 C ATOM 0 H LEU A 101 2.866 16.440 -2.555 1.00 0.00 H new ATOM 0 HA LEU A 101 5.733 16.098 -2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.859 15.769 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.599 15.640 -4.631 1.00 0.00 H new ATOM 0 HG LEU A 101 3.989 13.914 -2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.161 12.119 -4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.204 13.495 -4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.879 13.267 -5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.011 12.484 -2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.805 13.658 -3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.379 14.122 -2.185 1.00 0.00 H new ATOM 1568 N ASP A 102 6.756 17.923 -3.509 1.00 0.00 N ATOM 1569 CA ASP A 102 7.401 19.166 -3.948 1.00 0.00 C ATOM 1570 C ASP A 102 8.528 18.869 -4.956 1.00 0.00 C ATOM 1571 O ASP A 102 8.956 17.717 -5.107 1.00 0.00 O ATOM 1572 CB ASP A 102 7.955 19.915 -2.723 1.00 0.00 C ATOM 1573 CG ASP A 102 8.585 21.259 -3.063 1.00 0.00 C ATOM 1574 OD1 ASP A 102 7.855 22.269 -3.112 1.00 0.00 O ATOM 1575 OD2 ASP A 102 9.814 21.310 -3.285 1.00 0.00 O ATOM 0 H ASP A 102 7.398 17.135 -3.418 1.00 0.00 H new ATOM 0 HA ASP A 102 6.662 19.793 -4.448 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.147 20.072 -2.008 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.699 19.289 -2.231 1.00 0.00 H new ATOM 1580 N ALA A 103 8.992 19.920 -5.636 1.00 0.00 N ATOM 1581 CA ALA A 103 10.077 19.832 -6.626 1.00 0.00 C ATOM 1582 C ALA A 103 9.799 18.794 -7.729 1.00 0.00 C ATOM 1583 O ALA A 103 9.248 19.121 -8.784 1.00 0.00 O ATOM 1584 CB ALA A 103 11.408 19.545 -5.932 1.00 0.00 C ATOM 0 H ALA A 103 8.625 20.864 -5.517 1.00 0.00 H new ATOM 0 HA ALA A 103 10.134 20.801 -7.122 1.00 0.00 H new ATOM 0 HB1 ALA A 103 12.201 19.483 -6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 103 11.633 20.348 -5.229 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.341 18.600 -5.394 1.00 0.00 H new ATOM 1590 N ASP A 104 10.158 17.542 -7.462 1.00 0.00 N ATOM 1591 CA ASP A 104 10.058 16.465 -8.457 1.00 0.00 C ATOM 1592 C ASP A 104 8.767 15.651 -8.276 1.00 0.00 C ATOM 1593 O ASP A 104 8.441 14.794 -9.095 1.00 0.00 O ATOM 1594 CB ASP A 104 11.270 15.535 -8.331 1.00 0.00 C ATOM 1595 CG ASP A 104 12.578 16.302 -8.244 1.00 0.00 C ATOM 1596 OD1 ASP A 104 13.146 16.655 -9.299 1.00 0.00 O ATOM 1597 OD2 ASP A 104 13.043 16.565 -7.115 1.00 0.00 O ATOM 0 H ASP A 104 10.524 17.241 -6.559 1.00 0.00 H new ATOM 0 HA ASP A 104 10.037 16.921 -9.447 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.157 14.912 -7.444 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.301 14.864 -9.189 1.00 0.00 H new ATOM 1602 N GLY A 105 8.039 15.928 -7.196 1.00 0.00 N ATOM 1603 CA GLY A 105 6.853 15.146 -6.870 1.00 0.00 C ATOM 1604 C GLY A 105 7.191 13.725 -6.424 1.00 0.00 C ATOM 1605 O GLY A 105 6.535 12.768 -6.836 1.00 0.00 O ATOM 0 H GLY A 105 8.248 16.680 -6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.297 15.649 -6.079 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.199 15.104 -7.741 1.00 0.00 H new ATOM 1609 N VAL A 106 8.214 13.596 -5.567 1.00 0.00 N ATOM 1610 CA VAL A 106 8.735 12.276 -5.128 1.00 0.00 C ATOM 1611 C VAL A 106 9.465 12.345 -3.759 1.00 0.00 C ATOM 1612 O VAL A 106 9.068 11.674 -2.810 1.00 0.00 O ATOM 1613 CB VAL A 106 9.744 11.664 -6.147 1.00 0.00 C ATOM 1614 CG1 VAL A 106 10.268 10.314 -5.652 1.00 0.00 C ATOM 1615 CG2 VAL A 106 9.142 11.520 -7.544 1.00 0.00 C ATOM 0 H VAL A 106 8.705 14.390 -5.157 1.00 0.00 H new ATOM 0 HA VAL A 106 7.847 11.649 -5.050 1.00 0.00 H new ATOM 0 HB VAL A 106 10.578 12.361 -6.222 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.970 9.907 -6.380 1.00 0.00 H new ATOM 0 HG12 VAL A 106 10.774 10.448 -4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.434 9.624 -5.527 1.00 0.00 H new ATOM 0 HG21 VAL A 106 9.883 11.090 -8.217 1.00 0.00 H new ATOM 0 HG22 VAL A 106 8.270 10.867 -7.499 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.842 12.501 -7.914 1.00 0.00 H new ATOM 1625 N PRO A 107 10.527 13.189 -3.641 1.00 0.00 N ATOM 1626 CA PRO A 107 11.531 13.133 -2.540 1.00 0.00 C ATOM 1627 C PRO A 107 10.973 12.857 -1.125 1.00 0.00 C ATOM 1628 O PRO A 107 11.131 11.759 -0.602 1.00 0.00 O ATOM 1629 CB PRO A 107 12.192 14.535 -2.600 1.00 0.00 C ATOM 1630 CG PRO A 107 11.342 15.319 -3.550 1.00 0.00 C ATOM 1631 CD PRO A 107 10.840 14.314 -4.531 1.00 0.00 C ATOM 0 HA PRO A 107 12.204 12.289 -2.693 1.00 0.00 H new ATOM 0 HB2 PRO A 107 12.219 15.002 -1.615 1.00 0.00 H new ATOM 0 HB3 PRO A 107 13.222 14.472 -2.951 1.00 0.00 H new ATOM 0 HG2 PRO A 107 10.519 15.810 -3.031 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.919 16.100 -4.044 1.00 0.00 H new ATOM 0 HD2 PRO A 107 9.963 14.668 -5.073 1.00 0.00 H new ATOM 0 HD3 PRO A 107 11.591 14.054 -5.277 1.00 0.00 H new ATOM 1639 N GLN A 108 10.339 13.870 -0.531 1.00 0.00 N ATOM 1640 CA GLN A 108 9.885 13.858 0.879 1.00 0.00 C ATOM 1641 C GLN A 108 9.095 12.596 1.313 1.00 0.00 C ATOM 1642 O GLN A 108 7.875 12.639 1.502 1.00 0.00 O ATOM 1643 CB GLN A 108 9.037 15.114 1.151 1.00 0.00 C ATOM 1644 CG GLN A 108 7.846 15.299 0.199 1.00 0.00 C ATOM 1645 CD GLN A 108 8.243 15.828 -1.174 1.00 0.00 C ATOM 1646 OE1 GLN A 108 8.285 17.026 -1.397 1.00 0.00 O ATOM 1647 NE2 GLN A 108 8.547 14.945 -2.114 1.00 0.00 N ATOM 0 H GLN A 108 10.119 14.740 -1.016 1.00 0.00 H new ATOM 0 HA GLN A 108 10.796 13.846 1.478 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.664 15.070 2.174 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.679 15.992 1.083 1.00 0.00 H new ATOM 0 HG2 GLN A 108 7.336 14.343 0.078 1.00 0.00 H new ATOM 0 HG3 GLN A 108 7.132 15.987 0.652 1.00 0.00 H new ATOM 0 HE21 GLN A 108 8.506 13.947 -1.908 1.00 0.00 H new ATOM 0 HE22 GLN A 108 8.822 15.264 -3.043 1.00 0.00 H new ATOM 1656 N LEU A 109 9.784 11.466 1.441 1.00 0.00 N ATOM 1657 CA LEU A 109 9.193 10.264 2.035 1.00 0.00 C ATOM 1658 C LEU A 109 9.655 10.057 3.487 1.00 0.00 C ATOM 1659 O LEU A 109 8.914 9.519 4.312 1.00 0.00 O ATOM 1660 CB LEU A 109 9.512 9.021 1.188 1.00 0.00 C ATOM 1661 CG LEU A 109 8.279 8.208 0.772 1.00 0.00 C ATOM 1662 CD1 LEU A 109 7.377 9.040 -0.136 1.00 0.00 C ATOM 1663 CD2 LEU A 109 8.685 6.908 0.092 1.00 0.00 C ATOM 0 H LEU A 109 10.753 11.354 1.142 1.00 0.00 H new ATOM 0 HA LEU A 109 8.113 10.409 2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 109 10.046 9.334 0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.186 8.375 1.751 1.00 0.00 H new ATOM 0 HG LEU A 109 7.719 7.950 1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.506 8.450 -0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.051 9.934 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.929 9.331 -1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.792 6.352 -0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.272 7.131 -0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 109 9.282 6.309 0.779 1.00 0.00 H new ATOM 1675 N GLY A 110 10.882 10.495 3.783 1.00 0.00 N ATOM 1676 CA GLY A 110 11.528 10.202 5.063 1.00 0.00 C ATOM 1677 C GLY A 110 10.666 10.485 6.292 1.00 0.00 C ATOM 1678 O GLY A 110 10.570 9.649 7.194 1.00 0.00 O ATOM 0 H GLY A 110 11.450 11.057 3.149 1.00 0.00 H new ATOM 0 HA2 GLY A 110 11.820 9.152 5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.444 10.789 5.135 1.00 0.00 H new ATOM 1682 N ASP A 111 10.035 11.657 6.323 1.00 0.00 N ATOM 1683 CA ASP A 111 9.178 12.051 7.448 1.00 0.00 C ATOM 1684 C ASP A 111 7.965 11.112 7.595 1.00 0.00 C ATOM 1685 O ASP A 111 7.412 10.961 8.685 1.00 0.00 O ATOM 1686 CB ASP A 111 8.707 13.498 7.264 1.00 0.00 C ATOM 1687 CG ASP A 111 7.848 13.673 6.022 1.00 0.00 C ATOM 1688 OD1 ASP A 111 8.414 13.860 4.923 1.00 0.00 O ATOM 1689 OD2 ASP A 111 6.605 13.610 6.141 1.00 0.00 O ATOM 0 H ASP A 111 10.099 12.355 5.582 1.00 0.00 H new ATOM 0 HA ASP A 111 9.768 11.974 8.361 1.00 0.00 H new ATOM 0 HB2 ASP A 111 8.139 13.807 8.142 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.575 14.154 7.198 1.00 0.00 H new ATOM 1694 N HIS A 112 7.547 10.500 6.487 1.00 0.00 N ATOM 1695 CA HIS A 112 6.440 9.535 6.506 1.00 0.00 C ATOM 1696 C HIS A 112 6.929 8.148 6.937 1.00 0.00 C ATOM 1697 O HIS A 112 6.170 7.355 7.496 1.00 0.00 O ATOM 1698 CB HIS A 112 5.787 9.431 5.124 1.00 0.00 C ATOM 1699 CG HIS A 112 5.325 10.740 4.565 1.00 0.00 C ATOM 1700 ND1 HIS A 112 4.217 11.410 5.032 1.00 0.00 N ATOM 1701 CD2 HIS A 112 5.823 11.499 3.561 1.00 0.00 C ATOM 1702 CE1 HIS A 112 4.048 12.516 4.338 1.00 0.00 C ATOM 1703 NE2 HIS A 112 5.010 12.597 3.442 1.00 0.00 N ATOM 0 H HIS A 112 7.955 10.653 5.565 1.00 0.00 H new ATOM 0 HA HIS A 112 5.705 9.894 7.226 1.00 0.00 H new ATOM 0 HB2 HIS A 112 6.499 8.983 4.431 1.00 0.00 H new ATOM 0 HB3 HIS A 112 4.935 8.754 5.187 1.00 0.00 H new ATOM 0 HD2 HIS A 112 6.697 11.281 2.965 1.00 0.00 H new ATOM 0 HE1 HIS A 112 3.255 13.235 4.479 1.00 0.00 H new ATOM 0 HE2 HIS A 112 5.131 13.354 2.769 1.00 0.00 H new ATOM 1712 N LEU A 113 8.199 7.859 6.654 1.00 0.00 N ATOM 1713 CA LEU A 113 8.800 6.572 7.015 1.00 0.00 C ATOM 1714 C LEU A 113 9.031 6.487 8.530 1.00 0.00 C ATOM 1715 O LEU A 113 8.349 5.738 9.235 1.00 0.00 O ATOM 1716 CB LEU A 113 10.132 6.369 6.270 1.00 0.00 C ATOM 1717 CG LEU A 113 10.091 6.581 4.743 1.00 0.00 C ATOM 1718 CD1 LEU A 113 11.450 6.274 4.116 1.00 0.00 C ATOM 1719 CD2 LEU A 113 8.997 5.735 4.097 1.00 0.00 C ATOM 0 H LEU A 113 8.833 8.498 6.175 1.00 0.00 H new ATOM 0 HA LEU A 113 8.108 5.783 6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.869 7.052 6.692 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.485 5.357 6.467 1.00 0.00 H new ATOM 0 HG LEU A 113 9.857 7.630 4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.397 6.430 3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.205 6.935 4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.719 5.237 4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.993 5.906 3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 113 9.187 4.680 4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 113 8.029 6.014 4.512 1.00 0.00 H new ATOM 1731 N ALA A 114 9.994 7.275 9.009 1.00 0.00 N ATOM 1732 CA ALA A 114 10.340 7.344 10.438 1.00 0.00 C ATOM 1733 C ALA A 114 11.583 8.220 10.664 1.00 0.00 C ATOM 1734 O ALA A 114 11.471 9.399 10.997 1.00 0.00 O ATOM 1735 CB ALA A 114 10.570 5.950 11.030 1.00 0.00 C ATOM 0 H ALA A 114 10.560 7.886 8.420 1.00 0.00 H new ATOM 0 HA ALA A 114 9.492 7.798 10.951 1.00 0.00 H new ATOM 0 HB1 ALA A 114 10.823 6.041 12.086 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.663 5.356 10.924 1.00 0.00 H new ATOM 0 HB3 ALA A 114 11.388 5.461 10.501 1.00 0.00 H new ATOM 1741 N LEU A 115 12.767 7.629 10.467 1.00 0.00 N ATOM 1742 CA LEU A 115 14.050 8.333 10.641 1.00 0.00 C ATOM 1743 C LEU A 115 14.196 8.966 12.038 1.00 0.00 C ATOM 1744 O LEU A 115 14.967 9.907 12.221 1.00 0.00 O ATOM 1745 CB LEU A 115 14.229 9.403 9.551 1.00 0.00 C ATOM 1746 CG LEU A 115 14.315 8.865 8.112 1.00 0.00 C ATOM 1747 CD1 LEU A 115 14.537 10.003 7.120 1.00 0.00 C ATOM 1748 CD2 LEU A 115 15.424 7.822 7.989 1.00 0.00 C ATOM 0 H LEU A 115 12.867 6.654 10.184 1.00 0.00 H new ATOM 0 HA LEU A 115 14.836 7.584 10.546 1.00 0.00 H new ATOM 0 HB2 LEU A 115 13.395 10.103 9.611 1.00 0.00 H new ATOM 0 HB3 LEU A 115 15.136 9.969 9.765 1.00 0.00 H new ATOM 0 HG LEU A 115 13.366 8.385 7.874 1.00 0.00 H new ATOM 0 HD11 LEU A 115 14.595 9.599 6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 115 13.707 10.707 7.182 1.00 0.00 H new ATOM 0 HD13 LEU A 115 15.468 10.517 7.359 1.00 0.00 H new ATOM 0 HD21 LEU A 115 15.467 7.455 6.963 1.00 0.00 H new ATOM 0 HD22 LEU A 115 16.380 8.275 8.253 1.00 0.00 H new ATOM 0 HD23 LEU A 115 15.218 6.991 8.663 1.00 0.00 H new ATOM 1760 N GLU A 116 13.491 8.415 13.028 1.00 0.00 N ATOM 1761 CA GLU A 116 13.548 8.917 14.414 1.00 0.00 C ATOM 1762 C GLU A 116 14.820 8.453 15.151 1.00 0.00 C ATOM 1763 O GLU A 116 14.782 8.093 16.330 1.00 0.00 O ATOM 1764 CB GLU A 116 12.290 8.471 15.178 1.00 0.00 C ATOM 1765 CG GLU A 116 11.022 9.209 14.756 1.00 0.00 C ATOM 1766 CD GLU A 116 11.084 10.700 15.070 1.00 0.00 C ATOM 1767 OE1 GLU A 116 10.866 11.074 16.243 1.00 0.00 O ATOM 1768 OE2 GLU A 116 11.376 11.500 14.156 1.00 0.00 O ATOM 0 H GLU A 116 12.869 7.617 12.901 1.00 0.00 H new ATOM 0 HA GLU A 116 13.585 10.006 14.373 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.144 7.401 15.027 1.00 0.00 H new ATOM 0 HB3 GLU A 116 12.451 8.624 16.245 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.865 9.072 13.686 1.00 0.00 H new ATOM 0 HG3 GLU A 116 10.163 8.769 15.263 1.00 0.00 H new TER 1775 GLU A 116