USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 814 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 19 HIS :FLIP no HE2:sc= -6.99! C(o=-10!,f=-8.8!) USER MOD Set 1.2: A 21 MET CE :methyl -119:sc= -1.55 (180deg=-2.17) USER MOD Set 1.3: A 72 TYR OH : rot 180:sc= 0 USER MOD Set 1.4: A 87 HIS :FLIP no HE2:sc= -0.263 F(o=-10,f=-8.8) USER MOD Set 2.1: A 62 THR OG1 : rot 130:sc= 0.872 USER MOD Set 2.2: A 66 GLN : amide:sc= 1.05 K(o=1.9,f=-0.28) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.119 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 29:sc= 0.458 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0129 X(o=-0.013,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -101:sc= -0.0431 USER MOD Single : A 24 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.6!) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 0.0876 (180deg=0.0631) USER MOD Single : A 28 ASN : amide:sc=-0.00965 X(o=-0.0096,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.174 K(o=-0.17,f=-2.7!) USER MOD Single : A 35 GLN : amide:sc= -0.743 K(o=-0.74,f=-3.5!) USER MOD Single : A 44 SER OG : rot -160:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.11 X(o=-1.1,f=-1.6) USER MOD Single : A 46 HIS : no HE2:sc= -1.05 K(o=-1,f=-2.6) USER MOD Single : A 50 ASN : amide:sc= -0.402 K(o=-0.4,f=-1.7) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 59 MET CE :methyl 175:sc= -0.633 (180deg=-0.756) USER MOD Single : A 61 THR OG1 : rot -48:sc= 0.941 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -81:sc= 0.209 USER MOD Single : A 75 THR OG1 : rot 180:sc=-0.00525 USER MOD Single : A 82 LYS NZ :NH3+ 177:sc= -1.13 (180deg=-1.13) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 164:sc=-0.000607 (180deg=-0.527) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.997 -9.085 12.396 1.00 0.00 N ATOM 2 CA GLY A 1 -9.085 -10.504 12.104 1.00 0.00 C ATOM 3 C GLY A 1 -10.500 -10.942 11.779 1.00 0.00 C ATOM 4 O GLY A 1 -11.116 -11.686 12.541 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.011 -8.835 12.612 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.320 -8.540 11.571 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.598 -8.861 13.215 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.433 -10.740 11.263 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.720 -11.071 12.960 1.00 0.00 H new ATOM 8 N SER A 2 -11.015 -10.478 10.645 1.00 0.00 N ATOM 9 CA SER A 2 -12.369 -10.823 10.225 1.00 0.00 C ATOM 10 C SER A 2 -12.505 -10.732 8.707 1.00 0.00 C ATOM 11 O SER A 2 -11.706 -10.075 8.040 1.00 0.00 O ATOM 12 CB SER A 2 -13.385 -9.898 10.896 1.00 0.00 C ATOM 13 OG SER A 2 -13.286 -9.971 12.308 1.00 0.00 O ATOM 0 H SER A 2 -10.517 -9.863 10.001 1.00 0.00 H new ATOM 0 HA SER A 2 -12.568 -11.850 10.530 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.218 -8.872 10.569 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.393 -10.172 10.584 1.00 0.00 H new ATOM 0 HG SER A 2 -13.945 -9.369 12.714 1.00 0.00 H new ATOM 19 N SER A 3 -13.524 -11.395 8.170 1.00 0.00 N ATOM 20 CA SER A 3 -13.765 -11.392 6.732 1.00 0.00 C ATOM 21 C SER A 3 -14.218 -10.015 6.259 1.00 0.00 C ATOM 22 O SER A 3 -14.487 -9.126 7.067 1.00 0.00 O ATOM 23 CB SER A 3 -14.817 -12.441 6.368 1.00 0.00 C ATOM 24 OG SER A 3 -14.223 -13.560 5.733 1.00 0.00 O ATOM 0 H SER A 3 -14.196 -11.941 8.709 1.00 0.00 H new ATOM 0 HA SER A 3 -12.828 -11.638 6.231 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.339 -12.765 7.268 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.563 -11.998 5.708 1.00 0.00 H new ATOM 0 HG SER A 3 -14.916 -14.217 5.512 1.00 0.00 H new ATOM 30 N GLY A 4 -14.301 -9.845 4.943 1.00 0.00 N ATOM 31 CA GLY A 4 -14.723 -8.573 4.384 1.00 0.00 C ATOM 32 C GLY A 4 -16.164 -8.243 4.716 1.00 0.00 C ATOM 33 O GLY A 4 -16.781 -8.899 5.556 1.00 0.00 O ATOM 0 H GLY A 4 -14.084 -10.565 4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.076 -7.781 4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.599 -8.597 3.301 1.00 0.00 H new ATOM 37 N SER A 5 -16.703 -7.222 4.057 1.00 0.00 N ATOM 38 CA SER A 5 -18.079 -6.802 4.291 1.00 0.00 C ATOM 39 C SER A 5 -18.629 -6.046 3.085 1.00 0.00 C ATOM 40 O SER A 5 -18.065 -5.038 2.660 1.00 0.00 O ATOM 41 CB SER A 5 -18.162 -5.922 5.539 1.00 0.00 C ATOM 42 OG SER A 5 -17.463 -4.704 5.351 1.00 0.00 O ATOM 0 H SER A 5 -16.207 -6.671 3.357 1.00 0.00 H new ATOM 0 HA SER A 5 -18.683 -7.696 4.445 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.206 -5.714 5.772 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.745 -6.456 6.393 1.00 0.00 H new ATOM 0 HG SER A 5 -17.477 -4.462 4.402 1.00 0.00 H new ATOM 48 N SER A 6 -19.734 -6.543 2.537 1.00 0.00 N ATOM 49 CA SER A 6 -20.359 -5.917 1.377 1.00 0.00 C ATOM 50 C SER A 6 -21.382 -4.872 1.810 1.00 0.00 C ATOM 51 O SER A 6 -22.059 -5.031 2.825 1.00 0.00 O ATOM 52 CB SER A 6 -21.035 -6.976 0.503 1.00 0.00 C ATOM 53 OG SER A 6 -22.018 -7.690 1.233 1.00 0.00 O ATOM 0 H SER A 6 -20.214 -7.376 2.877 1.00 0.00 H new ATOM 0 HA SER A 6 -19.580 -5.421 0.798 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.496 -6.498 -0.362 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.286 -7.670 0.122 1.00 0.00 H new ATOM 0 HG SER A 6 -22.436 -8.359 0.651 1.00 0.00 H new ATOM 59 N GLY A 7 -21.488 -3.799 1.031 1.00 0.00 N ATOM 60 CA GLY A 7 -22.430 -2.742 1.349 1.00 0.00 C ATOM 61 C GLY A 7 -22.042 -1.414 0.727 1.00 0.00 C ATOM 62 O GLY A 7 -21.168 -0.715 1.239 1.00 0.00 O ATOM 0 H GLY A 7 -20.938 -3.643 0.186 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.423 -3.027 1.000 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.493 -2.629 2.431 1.00 0.00 H new ATOM 66 N GLN A 8 -22.692 -1.068 -0.379 1.00 0.00 N ATOM 67 CA GLN A 8 -22.408 0.184 -1.072 1.00 0.00 C ATOM 68 C GLN A 8 -23.225 1.328 -0.483 1.00 0.00 C ATOM 69 O GLN A 8 -24.344 1.128 -0.007 1.00 0.00 O ATOM 70 CB GLN A 8 -22.705 0.043 -2.565 1.00 0.00 C ATOM 71 CG GLN A 8 -21.540 -0.513 -3.368 1.00 0.00 C ATOM 72 CD GLN A 8 -21.980 -1.514 -4.418 1.00 0.00 C ATOM 73 OE1 GLN A 8 -21.890 -1.254 -5.617 1.00 0.00 O ATOM 74 NE2 GLN A 8 -22.460 -2.669 -3.970 1.00 0.00 N ATOM 0 H GLN A 8 -23.418 -1.636 -0.815 1.00 0.00 H new ATOM 0 HA GLN A 8 -21.350 0.413 -0.940 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -23.569 -0.609 -2.695 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -22.979 1.019 -2.966 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -21.013 0.309 -3.853 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -20.832 -0.990 -2.691 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -22.517 -2.843 -2.967 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -22.772 -3.382 -4.630 1.00 0.00 H new ATOM 83 N LYS A 9 -22.661 2.532 -0.519 1.00 0.00 N ATOM 84 CA LYS A 9 -23.337 3.710 0.009 1.00 0.00 C ATOM 85 C LYS A 9 -22.609 4.985 -0.404 1.00 0.00 C ATOM 86 O LYS A 9 -21.775 5.503 0.337 1.00 0.00 O ATOM 87 CB LYS A 9 -23.426 3.632 1.535 1.00 0.00 C ATOM 88 CG LYS A 9 -24.816 3.300 2.048 1.00 0.00 C ATOM 89 CD LYS A 9 -25.582 4.556 2.433 1.00 0.00 C ATOM 90 CE LYS A 9 -26.369 4.356 3.720 1.00 0.00 C ATOM 91 NZ LYS A 9 -25.765 5.099 4.859 1.00 0.00 N ATOM 0 H LYS A 9 -21.737 2.716 -0.909 1.00 0.00 H new ATOM 0 HA LYS A 9 -24.344 3.737 -0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -22.726 2.877 1.893 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -23.110 4.586 1.958 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -25.368 2.757 1.281 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -24.738 2.641 2.912 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -24.885 5.385 2.556 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -26.263 4.829 1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -27.396 4.689 3.573 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -26.409 3.293 3.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -26.330 4.937 5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -24.793 4.764 5.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -25.750 6.116 4.641 1.00 0.00 H new ATOM 105 N GLY A 10 -22.933 5.489 -1.592 1.00 0.00 N ATOM 106 CA GLY A 10 -22.303 6.700 -2.081 1.00 0.00 C ATOM 107 C GLY A 10 -20.867 6.472 -2.511 1.00 0.00 C ATOM 108 O GLY A 10 -20.431 5.331 -2.662 1.00 0.00 O ATOM 0 H GLY A 10 -23.621 5.079 -2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -22.874 7.089 -2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -22.329 7.460 -1.301 1.00 0.00 H new ATOM 112 N ARG A 11 -20.131 7.561 -2.712 1.00 0.00 N ATOM 113 CA ARG A 11 -18.737 7.475 -3.132 1.00 0.00 C ATOM 114 C ARG A 11 -17.951 8.695 -2.661 1.00 0.00 C ATOM 115 O ARG A 11 -18.524 9.757 -2.410 1.00 0.00 O ATOM 116 CB ARG A 11 -18.647 7.351 -4.653 1.00 0.00 C ATOM 117 CG ARG A 11 -17.642 6.312 -5.121 1.00 0.00 C ATOM 118 CD ARG A 11 -18.309 4.970 -5.383 1.00 0.00 C ATOM 119 NE ARG A 11 -17.927 4.413 -6.679 1.00 0.00 N ATOM 120 CZ ARG A 11 -18.113 3.142 -7.015 1.00 0.00 C ATOM 121 NH1 ARG A 11 -18.674 2.301 -6.158 1.00 0.00 N ATOM 122 NH2 ARG A 11 -17.739 2.709 -8.212 1.00 0.00 N ATOM 0 H ARG A 11 -20.477 8.513 -2.591 1.00 0.00 H new ATOM 0 HA ARG A 11 -18.300 6.586 -2.677 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.631 7.096 -5.047 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -18.377 8.320 -5.073 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -17.154 6.661 -6.031 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -16.864 6.192 -4.367 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -18.037 4.270 -4.593 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -19.392 5.090 -5.345 1.00 0.00 H new ATOM 0 HE ARG A 11 -17.494 5.034 -7.362 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -18.964 2.630 -5.237 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -18.815 1.325 -6.419 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -17.308 3.353 -8.875 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -17.882 1.732 -8.469 1.00 0.00 H new ATOM 136 N VAL A 12 -16.638 8.537 -2.544 1.00 0.00 N ATOM 137 CA VAL A 12 -15.772 9.626 -2.104 1.00 0.00 C ATOM 138 C VAL A 12 -14.403 9.543 -2.770 1.00 0.00 C ATOM 139 O VAL A 12 -13.573 8.714 -2.401 1.00 0.00 O ATOM 140 CB VAL A 12 -15.590 9.616 -0.576 1.00 0.00 C ATOM 141 CG1 VAL A 12 -16.622 10.511 0.092 1.00 0.00 C ATOM 142 CG2 VAL A 12 -15.677 8.195 -0.038 1.00 0.00 C ATOM 0 H VAL A 12 -16.149 7.665 -2.748 1.00 0.00 H new ATOM 0 HA VAL A 12 -16.259 10.556 -2.397 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.600 10.009 -0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.477 10.490 1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -16.507 11.533 -0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -17.623 10.152 -0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.546 8.207 1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.652 7.773 -0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.895 7.586 -0.491 1.00 0.00 H new ATOM 152 N GLU A 13 -14.175 10.410 -3.752 1.00 0.00 N ATOM 153 CA GLU A 13 -12.905 10.434 -4.469 1.00 0.00 C ATOM 154 C GLU A 13 -11.922 11.391 -3.802 1.00 0.00 C ATOM 155 O GLU A 13 -12.030 12.610 -3.945 1.00 0.00 O ATOM 156 CB GLU A 13 -13.126 10.843 -5.926 1.00 0.00 C ATOM 157 CG GLU A 13 -11.837 11.131 -6.679 1.00 0.00 C ATOM 158 CD GLU A 13 -12.052 12.026 -7.884 1.00 0.00 C ATOM 159 OE1 GLU A 13 -12.375 11.495 -8.967 1.00 0.00 O ATOM 160 OE2 GLU A 13 -11.898 13.257 -7.745 1.00 0.00 O ATOM 0 H GLU A 13 -14.852 11.104 -4.069 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.481 9.430 -4.442 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.667 10.049 -6.440 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.759 11.730 -5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.124 11.603 -6.003 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.393 10.190 -7.005 1.00 0.00 H new ATOM 167 N THR A 14 -10.963 10.832 -3.072 1.00 0.00 N ATOM 168 CA THR A 14 -9.961 11.634 -2.382 1.00 0.00 C ATOM 169 C THR A 14 -8.552 11.256 -2.825 1.00 0.00 C ATOM 170 O THR A 14 -8.373 10.409 -3.700 1.00 0.00 O ATOM 171 CB THR A 14 -10.067 11.473 -0.854 1.00 0.00 C ATOM 172 OG1 THR A 14 -9.155 12.363 -0.203 1.00 0.00 O ATOM 173 CG2 THR A 14 -9.769 10.039 -0.439 1.00 0.00 C ATOM 0 H THR A 14 -10.859 9.826 -2.943 1.00 0.00 H new ATOM 0 HA THR A 14 -10.154 12.674 -2.645 1.00 0.00 H new ATOM 0 HB THR A 14 -11.086 11.717 -0.555 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.360 11.866 0.081 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.850 9.949 0.644 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.484 9.367 -0.913 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.759 9.772 -0.751 1.00 0.00 H new ATOM 181 N ARG A 15 -7.555 11.889 -2.215 1.00 0.00 N ATOM 182 CA ARG A 15 -6.162 11.618 -2.548 1.00 0.00 C ATOM 183 C ARG A 15 -5.913 10.117 -2.669 1.00 0.00 C ATOM 184 O ARG A 15 -6.732 9.305 -2.236 1.00 0.00 O ATOM 185 CB ARG A 15 -5.236 12.214 -1.485 1.00 0.00 C ATOM 186 CG ARG A 15 -5.222 13.734 -1.473 1.00 0.00 C ATOM 187 CD ARG A 15 -3.875 14.282 -1.916 1.00 0.00 C ATOM 188 NE ARG A 15 -3.865 15.741 -1.960 1.00 0.00 N ATOM 189 CZ ARG A 15 -2.835 16.456 -2.399 1.00 0.00 C ATOM 190 NH1 ARG A 15 -1.739 15.849 -2.830 1.00 0.00 N ATOM 191 NH2 ARG A 15 -2.903 17.782 -2.410 1.00 0.00 N ATOM 0 H ARG A 15 -7.686 12.592 -1.488 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.948 12.083 -3.510 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.544 11.854 -0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.222 11.851 -1.654 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.004 14.111 -2.132 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.450 14.093 -0.469 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.100 13.935 -1.233 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.630 13.888 -2.902 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.694 16.239 -1.636 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.685 14.830 -2.825 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.950 16.400 -3.167 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.746 18.252 -2.081 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.112 18.330 -2.747 1.00 0.00 H new ATOM 205 N ARG A 16 -4.780 9.756 -3.262 1.00 0.00 N ATOM 206 CA ARG A 16 -4.426 8.354 -3.443 1.00 0.00 C ATOM 207 C ARG A 16 -3.294 7.953 -2.500 1.00 0.00 C ATOM 208 O ARG A 16 -2.138 8.322 -2.709 1.00 0.00 O ATOM 209 CB ARG A 16 -4.012 8.093 -4.893 1.00 0.00 C ATOM 210 CG ARG A 16 -4.628 9.064 -5.886 1.00 0.00 C ATOM 211 CD ARG A 16 -3.866 10.379 -5.924 1.00 0.00 C ATOM 212 NE ARG A 16 -4.741 11.526 -5.695 1.00 0.00 N ATOM 213 CZ ARG A 16 -4.295 12.747 -5.422 1.00 0.00 C ATOM 214 NH1 ARG A 16 -2.992 12.979 -5.344 1.00 0.00 N ATOM 215 NH2 ARG A 16 -5.155 13.740 -5.226 1.00 0.00 N ATOM 0 H ARG A 16 -4.092 10.415 -3.625 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.303 7.751 -3.208 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.926 8.150 -4.968 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.297 7.077 -5.166 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.633 8.616 -6.880 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.667 9.252 -5.616 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.081 10.365 -5.168 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.375 10.485 -6.891 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.749 11.381 -5.748 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.329 12.219 -5.494 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.653 13.918 -5.134 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.158 13.565 -5.285 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.812 14.678 -5.016 1.00 0.00 H new ATOM 229 N VAL A 17 -3.635 7.198 -1.462 1.00 0.00 N ATOM 230 CA VAL A 17 -2.648 6.746 -0.487 1.00 0.00 C ATOM 231 C VAL A 17 -2.926 5.313 -0.048 1.00 0.00 C ATOM 232 O VAL A 17 -3.807 5.062 0.773 1.00 0.00 O ATOM 233 CB VAL A 17 -2.630 7.658 0.755 1.00 0.00 C ATOM 234 CG1 VAL A 17 -1.608 7.162 1.766 1.00 0.00 C ATOM 235 CG2 VAL A 17 -2.342 9.097 0.355 1.00 0.00 C ATOM 0 H VAL A 17 -4.587 6.886 -1.273 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.675 6.790 -0.976 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.614 7.626 1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.609 7.818 2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.864 6.149 2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.617 7.163 1.312 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.333 9.727 1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.371 9.150 -0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.115 9.446 -0.329 1.00 0.00 H new ATOM 245 N VAL A 18 -2.164 4.374 -0.601 1.00 0.00 N ATOM 246 CA VAL A 18 -2.325 2.964 -0.265 1.00 0.00 C ATOM 247 C VAL A 18 -1.419 2.568 0.894 1.00 0.00 C ATOM 248 O VAL A 18 -0.205 2.438 0.732 1.00 0.00 O ATOM 249 CB VAL A 18 -2.017 2.060 -1.474 1.00 0.00 C ATOM 250 CG1 VAL A 18 -0.797 2.571 -2.227 1.00 0.00 C ATOM 251 CG2 VAL A 18 -1.813 0.622 -1.026 1.00 0.00 C ATOM 0 H VAL A 18 -1.430 4.564 -1.283 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.366 2.826 0.028 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.870 2.087 -2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.595 1.920 -3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.987 3.584 -2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.066 2.576 -1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.596 -0.002 -1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.978 0.574 -0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.718 0.262 -0.536 1.00 0.00 H new ATOM 261 N HIS A 19 -2.016 2.377 2.066 1.00 0.00 N ATOM 262 CA HIS A 19 -1.263 1.993 3.255 1.00 0.00 C ATOM 263 C HIS A 19 -0.989 0.492 3.264 1.00 0.00 C ATOM 264 O HIS A 19 -1.892 -0.315 3.040 1.00 0.00 O ATOM 265 CB HIS A 19 -2.025 2.392 4.518 1.00 0.00 C ATOM 266 CG HIS A 19 -1.367 1.936 5.784 1.00 0.00 C ATOM 267 ND1 HIS A 19 -0.070 1.660 6.058 1.00 0.00 N flip ATOM 268 CD2 HIS A 19 -2.060 1.715 6.956 1.00 0.00 C flip ATOM 269 CE1 HIS A 19 -0.005 1.281 7.376 1.00 0.00 C flip ATOM 270 NE2 HIS A 19 -1.218 1.324 7.895 1.00 0.00 N flip ATOM 0 H HIS A 19 -3.019 2.482 2.218 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.308 2.518 3.235 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.129 3.477 4.542 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.032 1.977 4.471 1.00 0.00 H new ATOM 0 HD1 HIS A 19 0.713 1.722 5.407 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.125 1.842 7.085 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.893 0.994 7.903 1.00 0.00 H new ATOM 278 N ILE A 20 0.261 0.125 3.525 1.00 0.00 N ATOM 279 CA ILE A 20 0.653 -1.278 3.563 1.00 0.00 C ATOM 280 C ILE A 20 1.347 -1.620 4.878 1.00 0.00 C ATOM 281 O ILE A 20 2.272 -0.927 5.300 1.00 0.00 O ATOM 282 CB ILE A 20 1.590 -1.634 2.394 1.00 0.00 C ATOM 283 CG1 ILE A 20 0.966 -1.206 1.063 1.00 0.00 C ATOM 284 CG2 ILE A 20 1.891 -3.125 2.390 1.00 0.00 C ATOM 285 CD1 ILE A 20 1.923 -0.463 0.159 1.00 0.00 C ATOM 0 H ILE A 20 1.020 0.780 3.713 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.263 -1.863 3.475 1.00 0.00 H new ATOM 0 HB ILE A 20 2.529 -1.095 2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.599 -2.090 0.542 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.102 -0.572 1.263 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.554 -3.360 1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.373 -3.401 3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.961 -3.684 2.282 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.413 -0.191 -0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.271 0.440 0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.776 -1.102 -0.071 1.00 0.00 H new ATOM 297 N MET A 21 0.894 -2.692 5.518 1.00 0.00 N ATOM 298 CA MET A 21 1.473 -3.128 6.783 1.00 0.00 C ATOM 299 C MET A 21 1.806 -4.615 6.746 1.00 0.00 C ATOM 300 O MET A 21 1.569 -5.289 5.743 1.00 0.00 O ATOM 301 CB MET A 21 0.510 -2.838 7.936 1.00 0.00 C ATOM 302 CG MET A 21 -0.339 -1.595 7.722 1.00 0.00 C ATOM 303 SD MET A 21 -2.087 -1.979 7.498 1.00 0.00 S ATOM 304 CE MET A 21 -2.281 -1.667 5.745 1.00 0.00 C ATOM 0 H MET A 21 0.128 -3.275 5.182 1.00 0.00 H new ATOM 0 HA MET A 21 2.397 -2.571 6.941 1.00 0.00 H new ATOM 0 HB2 MET A 21 -0.147 -3.697 8.075 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.083 -2.723 8.856 1.00 0.00 H new ATOM 0 HG2 MET A 21 -0.224 -0.929 8.577 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.026 -1.056 6.847 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.012 -0.872 5.596 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.324 -1.364 5.321 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.625 -2.575 5.250 1.00 0.00 H new ATOM 314 N ASP A 22 2.355 -5.122 7.843 1.00 0.00 N ATOM 315 CA ASP A 22 2.720 -6.532 7.936 1.00 0.00 C ATOM 316 C ASP A 22 3.763 -6.892 6.883 1.00 0.00 C ATOM 317 O ASP A 22 3.997 -8.068 6.603 1.00 0.00 O ATOM 318 CB ASP A 22 1.482 -7.413 7.767 1.00 0.00 C ATOM 319 CG ASP A 22 0.885 -7.832 9.096 1.00 0.00 C ATOM 320 OD1 ASP A 22 1.584 -8.518 9.872 1.00 0.00 O ATOM 321 OD2 ASP A 22 -0.283 -7.475 9.361 1.00 0.00 O ATOM 0 H ASP A 22 2.558 -4.578 8.682 1.00 0.00 H new ATOM 0 HA ASP A 22 3.149 -6.708 8.923 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.732 -6.874 7.189 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.747 -8.302 7.195 1.00 0.00 H new ATOM 326 N PHE A 23 4.389 -5.873 6.303 1.00 0.00 N ATOM 327 CA PHE A 23 5.407 -6.083 5.280 1.00 0.00 C ATOM 328 C PHE A 23 6.807 -5.971 5.875 1.00 0.00 C ATOM 329 O PHE A 23 7.097 -5.047 6.635 1.00 0.00 O ATOM 330 CB PHE A 23 5.238 -5.069 4.148 1.00 0.00 C ATOM 331 CG PHE A 23 5.676 -3.680 4.517 1.00 0.00 C ATOM 332 CD1 PHE A 23 7.003 -3.302 4.394 1.00 0.00 C ATOM 333 CD2 PHE A 23 4.760 -2.752 4.987 1.00 0.00 C ATOM 334 CE1 PHE A 23 7.409 -2.025 4.733 1.00 0.00 C ATOM 335 CE2 PHE A 23 5.160 -1.474 5.326 1.00 0.00 C ATOM 336 CZ PHE A 23 6.486 -1.110 5.200 1.00 0.00 C ATOM 0 H PHE A 23 4.209 -4.894 6.524 1.00 0.00 H new ATOM 0 HA PHE A 23 5.282 -7.089 4.879 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.810 -5.404 3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.191 -5.043 3.847 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.729 -4.013 4.029 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.722 -3.031 5.089 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.447 -1.743 4.633 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.436 -0.760 5.689 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.801 -0.112 5.466 1.00 0.00 H new ATOM 346 N GLN A 24 7.671 -6.918 5.523 1.00 0.00 N ATOM 347 CA GLN A 24 9.041 -6.925 6.023 1.00 0.00 C ATOM 348 C GLN A 24 9.984 -6.243 5.038 1.00 0.00 C ATOM 349 O GLN A 24 9.547 -5.679 4.034 1.00 0.00 O ATOM 350 CB GLN A 24 9.504 -8.360 6.281 1.00 0.00 C ATOM 351 CG GLN A 24 8.653 -9.100 7.299 1.00 0.00 C ATOM 352 CD GLN A 24 9.204 -8.994 8.708 1.00 0.00 C ATOM 353 OE1 GLN A 24 10.154 -8.252 8.960 1.00 0.00 O ATOM 354 NE2 GLN A 24 8.609 -9.736 9.634 1.00 0.00 N ATOM 0 H GLN A 24 7.447 -7.689 4.894 1.00 0.00 H new ATOM 0 HA GLN A 24 9.062 -6.370 6.961 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.492 -8.911 5.341 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.537 -8.343 6.628 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.639 -8.700 7.278 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.587 -10.151 7.017 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.825 -10.337 9.380 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.936 -9.705 10.600 1.00 0.00 H new ATOM 363 N ARG A 25 11.279 -6.298 5.330 1.00 0.00 N ATOM 364 CA ARG A 25 12.284 -5.684 4.471 1.00 0.00 C ATOM 365 C ARG A 25 13.409 -6.667 4.163 1.00 0.00 C ATOM 366 O ARG A 25 13.547 -7.696 4.823 1.00 0.00 O ATOM 367 CB ARG A 25 12.855 -4.429 5.134 1.00 0.00 C ATOM 368 CG ARG A 25 11.790 -3.462 5.625 1.00 0.00 C ATOM 369 CD ARG A 25 12.187 -2.017 5.360 1.00 0.00 C ATOM 370 NE ARG A 25 11.962 -1.166 6.526 1.00 0.00 N ATOM 371 CZ ARG A 25 12.731 -1.186 7.609 1.00 0.00 C ATOM 372 NH1 ARG A 25 13.769 -2.009 7.675 1.00 0.00 N ATOM 373 NH2 ARG A 25 12.462 -0.382 8.630 1.00 0.00 N ATOM 0 H ARG A 25 11.657 -6.762 6.156 1.00 0.00 H new ATOM 0 HA ARG A 25 11.803 -5.404 3.534 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.480 -4.726 5.976 1.00 0.00 H new ATOM 0 HB3 ARG A 25 13.501 -3.914 4.423 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.844 -3.678 5.129 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.630 -3.607 6.693 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.239 -1.976 5.078 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.616 -1.633 4.515 1.00 0.00 H new ATOM 0 HE ARG A 25 11.172 -0.522 6.507 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.979 -2.629 6.893 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.357 -2.022 8.508 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.664 0.252 8.584 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.053 -0.398 9.461 1.00 0.00 H new ATOM 387 N GLY A 26 14.214 -6.341 3.154 1.00 0.00 N ATOM 388 CA GLY A 26 15.317 -7.205 2.777 1.00 0.00 C ATOM 389 C GLY A 26 15.974 -6.773 1.482 1.00 0.00 C ATOM 390 O GLY A 26 16.715 -5.789 1.451 1.00 0.00 O ATOM 0 H GLY A 26 14.121 -5.495 2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.060 -7.209 3.574 1.00 0.00 H new ATOM 0 HA3 GLY A 26 14.955 -8.228 2.674 1.00 0.00 H new ATOM 394 N LYS A 27 15.707 -7.509 0.409 1.00 0.00 N ATOM 395 CA LYS A 27 16.278 -7.197 -0.896 1.00 0.00 C ATOM 396 C LYS A 27 15.223 -6.606 -1.825 1.00 0.00 C ATOM 397 O LYS A 27 14.169 -7.202 -2.042 1.00 0.00 O ATOM 398 CB LYS A 27 16.880 -8.455 -1.526 1.00 0.00 C ATOM 399 CG LYS A 27 17.307 -8.268 -2.972 1.00 0.00 C ATOM 400 CD LYS A 27 17.220 -9.569 -3.752 1.00 0.00 C ATOM 401 CE LYS A 27 15.968 -9.619 -4.613 1.00 0.00 C ATOM 402 NZ LYS A 27 14.750 -9.904 -3.805 1.00 0.00 N ATOM 0 H LYS A 27 15.098 -8.327 0.417 1.00 0.00 H new ATOM 0 HA LYS A 27 17.065 -6.457 -0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 27 17.743 -8.767 -0.939 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.150 -9.262 -1.473 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.675 -7.516 -3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 27 18.329 -7.891 -3.005 1.00 0.00 H new ATOM 0 HD2 LYS A 27 18.102 -9.676 -4.384 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.221 -10.411 -3.059 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.846 -8.668 -5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.084 -10.387 -5.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.950 -10.098 -4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.921 -10.733 -3.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.528 -9.081 -3.209 1.00 0.00 H new ATOM 416 N ASN A 28 15.514 -5.430 -2.371 1.00 0.00 N ATOM 417 CA ASN A 28 14.590 -4.759 -3.278 1.00 0.00 C ATOM 418 C ASN A 28 13.196 -4.664 -2.664 1.00 0.00 C ATOM 419 O ASN A 28 12.189 -4.782 -3.362 1.00 0.00 O ATOM 420 CB ASN A 28 14.521 -5.503 -4.613 1.00 0.00 C ATOM 421 CG ASN A 28 15.466 -4.923 -5.648 1.00 0.00 C ATOM 422 OD1 ASN A 28 16.452 -5.555 -6.027 1.00 0.00 O ATOM 423 ND2 ASN A 28 15.168 -3.715 -6.109 1.00 0.00 N ATOM 0 H ASN A 28 16.382 -4.922 -2.201 1.00 0.00 H new ATOM 0 HA ASN A 28 14.961 -3.749 -3.451 1.00 0.00 H new ATOM 0 HB2 ASN A 28 14.762 -6.554 -4.453 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.501 -5.465 -4.995 1.00 0.00 H new ATOM 0 HD21 ASN A 28 15.767 -3.273 -6.807 1.00 0.00 H new ATOM 0 HD22 ASN A 28 14.340 -3.228 -5.766 1.00 0.00 H new ATOM 430 N LEU A 29 13.147 -4.451 -1.353 1.00 0.00 N ATOM 431 CA LEU A 29 11.878 -4.340 -0.643 1.00 0.00 C ATOM 432 C LEU A 29 10.997 -3.263 -1.268 1.00 0.00 C ATOM 433 O LEU A 29 9.884 -3.539 -1.714 1.00 0.00 O ATOM 434 CB LEU A 29 12.123 -4.021 0.832 1.00 0.00 C ATOM 435 CG LEU A 29 10.893 -3.614 1.644 1.00 0.00 C ATOM 436 CD1 LEU A 29 10.548 -2.155 1.395 1.00 0.00 C ATOM 437 CD2 LEU A 29 9.710 -4.509 1.305 1.00 0.00 C ATOM 0 H LEU A 29 13.972 -4.352 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 29 11.361 -5.297 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.571 -4.896 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.856 -3.216 0.892 1.00 0.00 H new ATOM 0 HG LEU A 29 11.124 -3.736 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.670 -1.884 1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.389 -1.527 1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.337 -2.007 0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.844 -4.205 1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.479 -4.420 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.959 -5.545 1.536 1.00 0.00 H new ATOM 449 N ARG A 30 11.504 -2.035 -1.298 1.00 0.00 N ATOM 450 CA ARG A 30 10.764 -0.917 -1.870 1.00 0.00 C ATOM 451 C ARG A 30 10.013 -1.347 -3.127 1.00 0.00 C ATOM 452 O ARG A 30 8.894 -0.898 -3.378 1.00 0.00 O ATOM 453 CB ARG A 30 11.713 0.236 -2.199 1.00 0.00 C ATOM 454 CG ARG A 30 11.011 1.463 -2.758 1.00 0.00 C ATOM 455 CD ARG A 30 11.815 2.102 -3.880 1.00 0.00 C ATOM 456 NE ARG A 30 11.974 1.205 -5.021 1.00 0.00 N ATOM 457 CZ ARG A 30 12.361 1.609 -6.225 1.00 0.00 C ATOM 458 NH1 ARG A 30 12.628 2.889 -6.445 1.00 0.00 N ATOM 459 NH2 ARG A 30 12.482 0.732 -7.214 1.00 0.00 N ATOM 0 H ARG A 30 12.424 -1.789 -0.933 1.00 0.00 H new ATOM 0 HA ARG A 30 10.037 -0.580 -1.131 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.255 0.518 -1.296 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.453 -0.109 -2.921 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.026 1.182 -3.129 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.856 2.190 -1.961 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.320 3.017 -4.205 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.797 2.388 -3.504 1.00 0.00 H new ATOM 0 HE ARG A 30 11.777 0.213 -4.886 1.00 0.00 H new ATOM 0 HH11 ARG A 30 12.536 3.567 -5.688 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.925 3.196 -7.371 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.278 -0.254 -7.049 1.00 0.00 H new ATOM 0 HH22 ARG A 30 12.779 1.044 -8.139 1.00 0.00 H new ATOM 473 N TYR A 31 10.636 -2.218 -3.912 1.00 0.00 N ATOM 474 CA TYR A 31 10.028 -2.707 -5.144 1.00 0.00 C ATOM 475 C TYR A 31 8.884 -3.670 -4.843 1.00 0.00 C ATOM 476 O TYR A 31 7.846 -3.641 -5.503 1.00 0.00 O ATOM 477 CB TYR A 31 11.077 -3.402 -6.014 1.00 0.00 C ATOM 478 CG TYR A 31 10.485 -4.318 -7.061 1.00 0.00 C ATOM 479 CD1 TYR A 31 10.188 -5.642 -6.764 1.00 0.00 C ATOM 480 CD2 TYR A 31 10.225 -3.861 -8.346 1.00 0.00 C ATOM 481 CE1 TYR A 31 9.648 -6.484 -7.717 1.00 0.00 C ATOM 482 CE2 TYR A 31 9.683 -4.695 -9.305 1.00 0.00 C ATOM 483 CZ TYR A 31 9.397 -6.006 -8.986 1.00 0.00 C ATOM 484 OH TYR A 31 8.859 -6.840 -9.939 1.00 0.00 O ATOM 0 H TYR A 31 11.562 -2.600 -3.718 1.00 0.00 H new ATOM 0 HA TYR A 31 9.625 -1.850 -5.685 1.00 0.00 H new ATOM 0 HB2 TYR A 31 11.686 -2.645 -6.508 1.00 0.00 H new ATOM 0 HB3 TYR A 31 11.744 -3.979 -5.373 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.383 -6.020 -5.771 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.450 -2.836 -8.600 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.424 -7.511 -7.469 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.484 -4.322 -10.299 1.00 0.00 H new ATOM 0 HH TYR A 31 8.744 -6.347 -10.778 1.00 0.00 H new ATOM 494 N GLN A 32 9.082 -4.519 -3.840 1.00 0.00 N ATOM 495 CA GLN A 32 8.067 -5.490 -3.451 1.00 0.00 C ATOM 496 C GLN A 32 6.748 -4.798 -3.124 1.00 0.00 C ATOM 497 O GLN A 32 5.672 -5.305 -3.445 1.00 0.00 O ATOM 498 CB GLN A 32 8.543 -6.301 -2.244 1.00 0.00 C ATOM 499 CG GLN A 32 9.843 -7.051 -2.490 1.00 0.00 C ATOM 500 CD GLN A 32 9.622 -8.525 -2.770 1.00 0.00 C ATOM 501 OE1 GLN A 32 8.617 -9.103 -2.358 1.00 0.00 O ATOM 502 NE2 GLN A 32 10.563 -9.141 -3.475 1.00 0.00 N ATOM 0 H GLN A 32 9.935 -4.554 -3.282 1.00 0.00 H new ATOM 0 HA GLN A 32 7.904 -6.164 -4.292 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.675 -5.630 -1.395 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.767 -7.015 -1.968 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.365 -6.599 -3.333 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.491 -6.943 -1.620 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.380 -8.623 -3.797 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.469 -10.133 -3.695 1.00 0.00 H new ATOM 511 N LEU A 33 6.837 -3.637 -2.484 1.00 0.00 N ATOM 512 CA LEU A 33 5.650 -2.874 -2.114 1.00 0.00 C ATOM 513 C LEU A 33 5.125 -2.073 -3.300 1.00 0.00 C ATOM 514 O LEU A 33 3.918 -2.003 -3.530 1.00 0.00 O ATOM 515 CB LEU A 33 5.967 -1.935 -0.949 1.00 0.00 C ATOM 516 CG LEU A 33 6.494 -2.599 0.325 1.00 0.00 C ATOM 517 CD1 LEU A 33 6.976 -1.549 1.313 1.00 0.00 C ATOM 518 CD2 LEU A 33 5.420 -3.473 0.954 1.00 0.00 C ATOM 0 H LEU A 33 7.719 -3.204 -2.211 1.00 0.00 H new ATOM 0 HA LEU A 33 4.877 -3.578 -1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.704 -1.206 -1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.062 -1.381 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 33 7.340 -3.233 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.347 -2.039 2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.778 -0.965 0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.149 -0.889 1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.812 -3.937 1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.554 -2.861 1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.122 -4.248 0.248 1.00 0.00 H new ATOM 530 N LEU A 34 6.041 -1.471 -4.052 1.00 0.00 N ATOM 531 CA LEU A 34 5.671 -0.676 -5.218 1.00 0.00 C ATOM 532 C LEU A 34 5.111 -1.562 -6.327 1.00 0.00 C ATOM 533 O LEU A 34 4.363 -1.098 -7.186 1.00 0.00 O ATOM 534 CB LEU A 34 6.882 0.102 -5.734 1.00 0.00 C ATOM 535 CG LEU A 34 7.350 1.270 -4.865 1.00 0.00 C ATOM 536 CD1 LEU A 34 8.745 1.716 -5.275 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.368 2.429 -4.956 1.00 0.00 C ATOM 0 H LEU A 34 7.044 -1.518 -3.875 1.00 0.00 H new ATOM 0 HA LEU A 34 4.896 0.028 -4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.713 -0.594 -5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.646 0.486 -6.727 1.00 0.00 H new ATOM 0 HG LEU A 34 7.389 0.934 -3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.061 2.548 -4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.442 0.886 -5.156 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.734 2.034 -6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.717 3.251 -4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.296 2.764 -5.991 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.387 2.102 -4.611 1.00 0.00 H new ATOM 549 N GLN A 35 5.478 -2.839 -6.299 1.00 0.00 N ATOM 550 CA GLN A 35 5.012 -3.790 -7.300 1.00 0.00 C ATOM 551 C GLN A 35 3.537 -4.120 -7.092 1.00 0.00 C ATOM 552 O GLN A 35 2.898 -4.728 -7.952 1.00 0.00 O ATOM 553 CB GLN A 35 5.846 -5.071 -7.246 1.00 0.00 C ATOM 554 CG GLN A 35 5.460 -6.001 -6.107 1.00 0.00 C ATOM 555 CD GLN A 35 4.790 -7.271 -6.593 1.00 0.00 C ATOM 556 OE1 GLN A 35 3.763 -7.690 -6.056 1.00 0.00 O ATOM 557 NE2 GLN A 35 5.367 -7.893 -7.614 1.00 0.00 N ATOM 0 H GLN A 35 6.097 -3.239 -5.594 1.00 0.00 H new ATOM 0 HA GLN A 35 5.128 -3.331 -8.282 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.740 -5.604 -8.191 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.898 -4.805 -7.146 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.352 -6.261 -5.537 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.788 -5.477 -5.427 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.217 -7.511 -8.029 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.960 -8.752 -7.983 1.00 0.00 H new ATOM 566 N LEU A 36 3.002 -3.717 -5.945 1.00 0.00 N ATOM 567 CA LEU A 36 1.602 -3.971 -5.622 1.00 0.00 C ATOM 568 C LEU A 36 0.697 -2.926 -6.269 1.00 0.00 C ATOM 569 O LEU A 36 -0.515 -3.118 -6.371 1.00 0.00 O ATOM 570 CB LEU A 36 1.399 -3.971 -4.106 1.00 0.00 C ATOM 571 CG LEU A 36 2.292 -4.923 -3.310 1.00 0.00 C ATOM 572 CD1 LEU A 36 2.152 -4.663 -1.818 1.00 0.00 C ATOM 573 CD2 LEU A 36 1.951 -6.370 -3.634 1.00 0.00 C ATOM 0 H LEU A 36 3.516 -3.213 -5.223 1.00 0.00 H new ATOM 0 HA LEU A 36 1.335 -4.951 -6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.562 -2.958 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.359 -4.222 -3.899 1.00 0.00 H new ATOM 0 HG LEU A 36 3.328 -4.742 -3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.795 -5.350 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.445 -3.636 -1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.115 -4.816 -1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.596 -7.034 -3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.910 -6.565 -3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.102 -6.550 -4.698 1.00 0.00 H new ATOM 585 N VAL A 37 1.295 -1.822 -6.706 1.00 0.00 N ATOM 586 CA VAL A 37 0.544 -0.749 -7.345 1.00 0.00 C ATOM 587 C VAL A 37 1.104 -0.434 -8.727 1.00 0.00 C ATOM 588 O VAL A 37 0.399 0.095 -9.588 1.00 0.00 O ATOM 589 CB VAL A 37 0.560 0.533 -6.491 1.00 0.00 C ATOM 590 CG1 VAL A 37 0.116 0.233 -5.069 1.00 0.00 C ATOM 591 CG2 VAL A 37 1.944 1.164 -6.506 1.00 0.00 C ATOM 0 H VAL A 37 2.297 -1.648 -6.629 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.484 -1.097 -7.444 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.144 1.245 -6.922 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.134 1.151 -4.481 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.897 -0.170 -5.081 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.792 -0.497 -4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.938 2.069 -5.898 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.670 0.459 -6.101 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.217 1.417 -7.530 1.00 0.00 H new ATOM 601 N GLU A 38 2.376 -0.761 -8.933 1.00 0.00 N ATOM 602 CA GLU A 38 3.031 -0.512 -10.211 1.00 0.00 C ATOM 603 C GLU A 38 2.163 -0.993 -11.370 1.00 0.00 C ATOM 604 O GLU A 38 1.764 -0.222 -12.243 1.00 0.00 O ATOM 605 CB GLU A 38 4.393 -1.208 -10.256 1.00 0.00 C ATOM 606 CG GLU A 38 5.560 -0.251 -10.432 1.00 0.00 C ATOM 607 CD GLU A 38 6.215 -0.375 -11.794 1.00 0.00 C ATOM 608 OE1 GLU A 38 5.630 0.116 -12.782 1.00 0.00 O ATOM 609 OE2 GLU A 38 7.314 -0.963 -11.871 1.00 0.00 O ATOM 0 H GLU A 38 2.973 -1.199 -8.231 1.00 0.00 H new ATOM 0 HA GLU A 38 3.178 0.563 -10.311 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.533 -1.773 -9.335 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.397 -1.927 -11.075 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.210 0.772 -10.293 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.302 -0.442 -9.657 1.00 0.00 H new ATOM 616 N PRO A 39 1.863 -2.302 -11.381 1.00 0.00 N ATOM 617 CA PRO A 39 1.040 -2.916 -12.427 1.00 0.00 C ATOM 618 C PRO A 39 -0.419 -2.482 -12.345 1.00 0.00 C ATOM 619 O PRO A 39 -1.257 -2.934 -13.128 1.00 0.00 O ATOM 620 CB PRO A 39 1.168 -4.415 -12.143 1.00 0.00 C ATOM 621 CG PRO A 39 1.485 -4.500 -10.690 1.00 0.00 C ATOM 622 CD PRO A 39 2.305 -3.279 -10.373 1.00 0.00 C ATOM 0 HA PRO A 39 1.367 -2.627 -13.426 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.244 -4.943 -12.378 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.955 -4.866 -12.747 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.574 -4.524 -10.092 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.039 -5.411 -10.464 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.120 -2.923 -9.360 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.373 -3.481 -10.450 1.00 0.00 H new ATOM 630 N PHE A 40 -0.718 -1.602 -11.395 1.00 0.00 N ATOM 631 CA PHE A 40 -2.077 -1.106 -11.213 1.00 0.00 C ATOM 632 C PHE A 40 -2.196 0.342 -11.678 1.00 0.00 C ATOM 633 O PHE A 40 -3.292 0.830 -11.953 1.00 0.00 O ATOM 634 CB PHE A 40 -2.490 -1.216 -9.743 1.00 0.00 C ATOM 635 CG PHE A 40 -2.636 -2.633 -9.266 1.00 0.00 C ATOM 636 CD1 PHE A 40 -1.548 -3.322 -8.755 1.00 0.00 C ATOM 637 CD2 PHE A 40 -3.862 -3.275 -9.328 1.00 0.00 C ATOM 638 CE1 PHE A 40 -1.680 -4.626 -8.315 1.00 0.00 C ATOM 639 CE2 PHE A 40 -4.000 -4.578 -8.889 1.00 0.00 C ATOM 640 CZ PHE A 40 -2.907 -5.255 -8.383 1.00 0.00 C ATOM 0 H PHE A 40 -0.037 -1.218 -10.739 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.744 -1.719 -11.819 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.748 -0.708 -9.126 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.436 -0.693 -9.599 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.586 -2.835 -8.700 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.720 -2.751 -9.724 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.824 -5.152 -7.919 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -4.962 -5.067 -8.941 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.012 -6.274 -8.041 1.00 0.00 H new ATOM 650 N GLY A 41 -1.058 1.025 -11.766 1.00 0.00 N ATOM 651 CA GLY A 41 -1.056 2.410 -12.198 1.00 0.00 C ATOM 652 C GLY A 41 0.341 2.998 -12.251 1.00 0.00 C ATOM 653 O GLY A 41 1.319 2.278 -12.453 1.00 0.00 O ATOM 0 H GLY A 41 -0.138 0.643 -11.546 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.514 2.481 -13.184 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.670 3.001 -11.518 1.00 0.00 H new ATOM 657 N VAL A 42 0.435 4.312 -12.070 1.00 0.00 N ATOM 658 CA VAL A 42 1.721 4.997 -12.097 1.00 0.00 C ATOM 659 C VAL A 42 2.174 5.373 -10.691 1.00 0.00 C ATOM 660 O VAL A 42 1.352 5.562 -9.793 1.00 0.00 O ATOM 661 CB VAL A 42 1.660 6.270 -12.963 1.00 0.00 C ATOM 662 CG1 VAL A 42 0.337 6.992 -12.758 1.00 0.00 C ATOM 663 CG2 VAL A 42 2.831 7.187 -12.644 1.00 0.00 C ATOM 0 H VAL A 42 -0.365 4.923 -11.903 1.00 0.00 H new ATOM 0 HA VAL A 42 2.440 4.303 -12.533 1.00 0.00 H new ATOM 0 HB VAL A 42 1.730 5.979 -14.011 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.312 7.888 -13.377 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.484 6.333 -13.040 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.234 7.272 -11.710 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.772 8.081 -13.265 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.794 7.472 -11.593 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.767 6.666 -12.846 1.00 0.00 H new ATOM 673 N ILE A 43 3.485 5.480 -10.507 1.00 0.00 N ATOM 674 CA ILE A 43 4.048 5.835 -9.210 1.00 0.00 C ATOM 675 C ILE A 43 4.289 7.337 -9.107 1.00 0.00 C ATOM 676 O ILE A 43 5.160 7.883 -9.784 1.00 0.00 O ATOM 677 CB ILE A 43 5.372 5.094 -8.948 1.00 0.00 C ATOM 678 CG1 ILE A 43 5.189 3.589 -9.152 1.00 0.00 C ATOM 679 CG2 ILE A 43 5.874 5.386 -7.542 1.00 0.00 C ATOM 680 CD1 ILE A 43 4.239 2.955 -8.160 1.00 0.00 C ATOM 0 H ILE A 43 4.178 5.326 -11.240 1.00 0.00 H new ATOM 0 HA ILE A 43 3.319 5.535 -8.458 1.00 0.00 H new ATOM 0 HB ILE A 43 6.117 5.450 -9.660 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.820 3.410 -10.162 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.160 3.100 -9.076 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.811 4.855 -7.372 1.00 0.00 H new ATOM 0 HG22 ILE A 43 6.039 6.458 -7.430 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.132 5.055 -6.815 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.158 1.888 -8.365 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.617 3.103 -7.148 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.256 3.417 -8.251 1.00 0.00 H new ATOM 692 N SER A 44 3.513 7.999 -8.256 1.00 0.00 N ATOM 693 CA SER A 44 3.640 9.439 -8.067 1.00 0.00 C ATOM 694 C SER A 44 4.617 9.753 -6.937 1.00 0.00 C ATOM 695 O SER A 44 5.519 10.576 -7.094 1.00 0.00 O ATOM 696 CB SER A 44 2.275 10.058 -7.761 1.00 0.00 C ATOM 697 OG SER A 44 1.762 10.743 -8.890 1.00 0.00 O ATOM 0 H SER A 44 2.789 7.561 -7.686 1.00 0.00 H new ATOM 0 HA SER A 44 4.027 9.869 -8.991 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.578 9.277 -7.458 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.365 10.749 -6.922 1.00 0.00 H new ATOM 0 HG SER A 44 1.075 11.380 -8.602 1.00 0.00 H new ATOM 703 N ASN A 45 4.432 9.091 -5.800 1.00 0.00 N ATOM 704 CA ASN A 45 5.296 9.300 -4.644 1.00 0.00 C ATOM 705 C ASN A 45 5.031 8.250 -3.571 1.00 0.00 C ATOM 706 O ASN A 45 3.888 8.040 -3.161 1.00 0.00 O ATOM 707 CB ASN A 45 5.082 10.700 -4.067 1.00 0.00 C ATOM 708 CG ASN A 45 6.081 11.707 -4.605 1.00 0.00 C ATOM 709 OD1 ASN A 45 7.273 11.418 -4.709 1.00 0.00 O ATOM 710 ND2 ASN A 45 5.597 12.895 -4.949 1.00 0.00 N ATOM 0 H ASN A 45 3.691 8.405 -5.654 1.00 0.00 H new ATOM 0 HA ASN A 45 6.331 9.205 -4.973 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.071 11.035 -4.300 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.162 10.658 -2.981 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.221 13.613 -5.317 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.601 13.089 -4.845 1.00 0.00 H new ATOM 717 N HIS A 46 6.094 7.592 -3.117 1.00 0.00 N ATOM 718 CA HIS A 46 5.976 6.563 -2.090 1.00 0.00 C ATOM 719 C HIS A 46 6.718 6.975 -0.822 1.00 0.00 C ATOM 720 O HIS A 46 7.535 7.897 -0.839 1.00 0.00 O ATOM 721 CB HIS A 46 6.523 5.233 -2.606 1.00 0.00 C ATOM 722 CG HIS A 46 8.013 5.117 -2.503 1.00 0.00 C ATOM 723 ND1 HIS A 46 8.877 6.070 -2.999 1.00 0.00 N ATOM 724 CD2 HIS A 46 8.791 4.153 -1.958 1.00 0.00 C ATOM 725 CE1 HIS A 46 10.123 5.697 -2.763 1.00 0.00 C ATOM 726 NE2 HIS A 46 10.098 4.537 -2.132 1.00 0.00 N ATOM 0 H HIS A 46 7.046 7.753 -3.444 1.00 0.00 H new ATOM 0 HA HIS A 46 4.920 6.443 -1.849 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.064 4.419 -2.045 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.228 5.108 -3.648 1.00 0.00 H new ATOM 0 HD1 HIS A 46 8.598 6.929 -3.474 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.448 3.250 -1.476 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.010 6.247 -3.039 1.00 0.00 H new ATOM 734 N LEU A 47 6.430 6.286 0.276 1.00 0.00 N ATOM 735 CA LEU A 47 7.070 6.580 1.554 1.00 0.00 C ATOM 736 C LEU A 47 7.204 5.318 2.400 1.00 0.00 C ATOM 737 O LEU A 47 6.230 4.595 2.612 1.00 0.00 O ATOM 738 CB LEU A 47 6.268 7.636 2.318 1.00 0.00 C ATOM 739 CG LEU A 47 6.692 7.882 3.766 1.00 0.00 C ATOM 740 CD1 LEU A 47 6.046 9.151 4.302 1.00 0.00 C ATOM 741 CD2 LEU A 47 6.331 6.689 4.638 1.00 0.00 C ATOM 0 H LEU A 47 5.758 5.520 0.308 1.00 0.00 H new ATOM 0 HA LEU A 47 8.069 6.967 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.337 8.579 1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.219 7.341 2.313 1.00 0.00 H new ATOM 0 HG LEU A 47 7.774 8.010 3.791 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.359 9.311 5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.354 10.001 3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.961 9.052 4.263 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.640 6.882 5.665 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.253 6.529 4.608 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.840 5.800 4.267 1.00 0.00 H new ATOM 753 N ILE A 48 8.416 5.059 2.880 1.00 0.00 N ATOM 754 CA ILE A 48 8.676 3.886 3.705 1.00 0.00 C ATOM 755 C ILE A 48 9.406 4.267 4.988 1.00 0.00 C ATOM 756 O ILE A 48 10.627 4.432 4.995 1.00 0.00 O ATOM 757 CB ILE A 48 9.508 2.837 2.945 1.00 0.00 C ATOM 758 CG1 ILE A 48 9.172 2.870 1.454 1.00 0.00 C ATOM 759 CG2 ILE A 48 9.264 1.450 3.520 1.00 0.00 C ATOM 760 CD1 ILE A 48 9.811 1.748 0.665 1.00 0.00 C ATOM 0 H ILE A 48 9.233 5.646 2.712 1.00 0.00 H new ATOM 0 HA ILE A 48 7.707 3.456 3.956 1.00 0.00 H new ATOM 0 HB ILE A 48 10.565 3.077 3.064 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.090 2.818 1.333 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.494 3.825 1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.859 0.719 2.972 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.551 1.436 4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.207 1.199 3.429 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.529 1.835 -0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.895 1.811 0.756 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.469 0.789 1.054 1.00 0.00 H new ATOM 772 N LEU A 49 8.652 4.403 6.073 1.00 0.00 N ATOM 773 CA LEU A 49 9.228 4.763 7.365 1.00 0.00 C ATOM 774 C LEU A 49 10.316 3.774 7.771 1.00 0.00 C ATOM 775 O LEU A 49 10.155 2.563 7.621 1.00 0.00 O ATOM 776 CB LEU A 49 8.138 4.808 8.436 1.00 0.00 C ATOM 777 CG LEU A 49 6.897 5.633 8.097 1.00 0.00 C ATOM 778 CD1 LEU A 49 5.732 5.241 8.995 1.00 0.00 C ATOM 779 CD2 LEU A 49 7.193 7.120 8.226 1.00 0.00 C ATOM 0 H LEU A 49 7.641 4.270 6.085 1.00 0.00 H new ATOM 0 HA LEU A 49 9.678 5.751 7.272 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.823 3.786 8.649 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.574 5.205 9.353 1.00 0.00 H new ATOM 0 HG LEU A 49 6.619 5.426 7.064 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.858 5.839 8.739 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.503 4.185 8.854 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.000 5.418 10.037 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.298 7.692 7.981 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.497 7.343 9.249 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.996 7.392 7.541 1.00 0.00 H new ATOM 791 N ASN A 50 11.423 4.298 8.287 1.00 0.00 N ATOM 792 CA ASN A 50 12.537 3.461 8.716 1.00 0.00 C ATOM 793 C ASN A 50 12.476 3.202 10.218 1.00 0.00 C ATOM 794 O ASN A 50 13.495 3.240 10.908 1.00 0.00 O ATOM 795 CB ASN A 50 13.868 4.122 8.354 1.00 0.00 C ATOM 796 CG ASN A 50 13.802 4.874 7.039 1.00 0.00 C ATOM 797 OD1 ASN A 50 13.067 4.491 6.129 1.00 0.00 O ATOM 798 ND2 ASN A 50 14.572 5.950 6.934 1.00 0.00 N ATOM 0 H ASN A 50 11.572 5.298 8.418 1.00 0.00 H new ATOM 0 HA ASN A 50 12.461 2.505 8.198 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.157 4.810 9.149 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.645 3.360 8.295 1.00 0.00 H new ATOM 0 HD21 ASN A 50 14.570 6.496 6.073 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.166 6.230 7.715 1.00 0.00 H new ATOM 805 N LYS A 51 11.274 2.939 10.720 1.00 0.00 N ATOM 806 CA LYS A 51 11.079 2.672 12.140 1.00 0.00 C ATOM 807 C LYS A 51 10.246 1.410 12.346 1.00 0.00 C ATOM 808 O LYS A 51 10.579 0.567 13.180 1.00 0.00 O ATOM 809 CB LYS A 51 10.394 3.863 12.814 1.00 0.00 C ATOM 810 CG LYS A 51 11.335 5.019 13.109 1.00 0.00 C ATOM 811 CD LYS A 51 11.144 5.548 14.520 1.00 0.00 C ATOM 812 CE LYS A 51 12.144 6.648 14.844 1.00 0.00 C ATOM 813 NZ LYS A 51 13.461 6.094 15.262 1.00 0.00 N ATOM 0 H LYS A 51 10.420 2.905 10.164 1.00 0.00 H new ATOM 0 HA LYS A 51 12.058 2.519 12.594 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.586 4.217 12.173 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.938 3.529 13.746 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.367 4.692 12.979 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.162 5.822 12.392 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.130 5.932 14.631 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.256 4.732 15.234 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.279 7.285 13.970 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.746 7.278 15.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.115 6.875 15.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.337 5.506 16.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.853 5.513 14.493 1.00 0.00 H new ATOM 827 N ILE A 52 9.166 1.288 11.583 1.00 0.00 N ATOM 828 CA ILE A 52 8.289 0.128 11.682 1.00 0.00 C ATOM 829 C ILE A 52 7.970 -0.439 10.302 1.00 0.00 C ATOM 830 O ILE A 52 8.484 0.036 9.291 1.00 0.00 O ATOM 831 CB ILE A 52 6.971 0.477 12.398 1.00 0.00 C ATOM 832 CG1 ILE A 52 6.027 1.211 11.444 1.00 0.00 C ATOM 833 CG2 ILE A 52 7.248 1.323 13.633 1.00 0.00 C ATOM 834 CD1 ILE A 52 6.536 2.569 11.013 1.00 0.00 C ATOM 0 H ILE A 52 8.877 1.978 10.889 1.00 0.00 H new ATOM 0 HA ILE A 52 8.823 -0.622 12.266 1.00 0.00 H new ATOM 0 HB ILE A 52 6.490 -0.448 12.715 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.867 0.595 10.559 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.058 1.332 11.927 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.307 1.562 14.129 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.888 0.768 14.318 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.747 2.246 13.337 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.815 3.030 10.338 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.669 3.203 11.890 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.491 2.454 10.500 1.00 0.00 H new ATOM 846 N ASN A 53 7.117 -1.458 10.270 1.00 0.00 N ATOM 847 CA ASN A 53 6.728 -2.089 9.015 1.00 0.00 C ATOM 848 C ASN A 53 5.521 -1.386 8.403 1.00 0.00 C ATOM 849 O ASN A 53 4.540 -2.027 8.029 1.00 0.00 O ATOM 850 CB ASN A 53 6.410 -3.569 9.241 1.00 0.00 C ATOM 851 CG ASN A 53 7.636 -4.372 9.628 1.00 0.00 C ATOM 852 OD1 ASN A 53 8.676 -4.292 8.974 1.00 0.00 O ATOM 853 ND2 ASN A 53 7.520 -5.153 10.696 1.00 0.00 N ATOM 0 H ASN A 53 6.682 -1.864 11.099 1.00 0.00 H new ATOM 0 HA ASN A 53 7.565 -2.006 8.321 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.657 -3.660 10.024 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.977 -3.987 8.332 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.312 -5.717 11.004 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.639 -5.189 11.209 1.00 0.00 H new ATOM 860 N GLU A 54 5.602 -0.062 8.304 1.00 0.00 N ATOM 861 CA GLU A 54 4.516 0.728 7.737 1.00 0.00 C ATOM 862 C GLU A 54 4.997 1.528 6.529 1.00 0.00 C ATOM 863 O GLU A 54 6.066 2.136 6.560 1.00 0.00 O ATOM 864 CB GLU A 54 3.941 1.676 8.793 1.00 0.00 C ATOM 865 CG GLU A 54 3.039 0.985 9.803 1.00 0.00 C ATOM 866 CD GLU A 54 2.148 1.958 10.550 1.00 0.00 C ATOM 867 OE1 GLU A 54 2.495 3.157 10.606 1.00 0.00 O ATOM 868 OE2 GLU A 54 1.103 1.522 11.078 1.00 0.00 O ATOM 0 H GLU A 54 6.407 0.485 8.609 1.00 0.00 H new ATOM 0 HA GLU A 54 3.735 0.042 7.409 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.763 2.159 9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.377 2.464 8.294 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.418 0.251 9.288 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.653 0.438 10.518 1.00 0.00 H new ATOM 875 N ALA A 55 4.200 1.521 5.467 1.00 0.00 N ATOM 876 CA ALA A 55 4.542 2.246 4.250 1.00 0.00 C ATOM 877 C ALA A 55 3.292 2.781 3.559 1.00 0.00 C ATOM 878 O ALA A 55 2.192 2.263 3.753 1.00 0.00 O ATOM 879 CB ALA A 55 5.325 1.347 3.304 1.00 0.00 C ATOM 0 H ALA A 55 3.312 1.021 5.424 1.00 0.00 H new ATOM 0 HA ALA A 55 5.165 3.097 4.526 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.574 1.901 2.399 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.242 1.017 3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.720 0.479 3.043 1.00 0.00 H new ATOM 885 N PHE A 56 3.467 3.823 2.752 1.00 0.00 N ATOM 886 CA PHE A 56 2.354 4.430 2.035 1.00 0.00 C ATOM 887 C PHE A 56 2.777 4.854 0.632 1.00 0.00 C ATOM 888 O PHE A 56 3.759 5.576 0.459 1.00 0.00 O ATOM 889 CB PHE A 56 1.821 5.639 2.806 1.00 0.00 C ATOM 890 CG PHE A 56 1.744 5.418 4.289 1.00 0.00 C ATOM 891 CD1 PHE A 56 0.698 4.700 4.843 1.00 0.00 C ATOM 892 CD2 PHE A 56 2.720 5.930 5.131 1.00 0.00 C ATOM 893 CE1 PHE A 56 0.624 4.494 6.208 1.00 0.00 C ATOM 894 CE2 PHE A 56 2.652 5.727 6.496 1.00 0.00 C ATOM 895 CZ PHE A 56 1.603 5.010 7.036 1.00 0.00 C ATOM 0 H PHE A 56 4.370 4.264 2.579 1.00 0.00 H new ATOM 0 HA PHE A 56 1.562 3.686 1.948 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.462 6.498 2.608 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.828 5.889 2.432 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.070 4.296 4.200 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.542 6.494 4.715 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.197 3.931 6.627 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.420 6.129 7.141 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.548 4.853 8.103 1.00 0.00 H new ATOM 905 N ILE A 57 2.028 4.400 -0.368 1.00 0.00 N ATOM 906 CA ILE A 57 2.326 4.731 -1.756 1.00 0.00 C ATOM 907 C ILE A 57 1.250 5.636 -2.348 1.00 0.00 C ATOM 908 O ILE A 57 0.059 5.431 -2.119 1.00 0.00 O ATOM 909 CB ILE A 57 2.450 3.465 -2.624 1.00 0.00 C ATOM 910 CG1 ILE A 57 3.702 2.675 -2.236 1.00 0.00 C ATOM 911 CG2 ILE A 57 2.487 3.835 -4.099 1.00 0.00 C ATOM 912 CD1 ILE A 57 3.643 1.217 -2.636 1.00 0.00 C ATOM 0 H ILE A 57 1.211 3.802 -0.243 1.00 0.00 H new ATOM 0 HA ILE A 57 3.281 5.256 -1.757 1.00 0.00 H new ATOM 0 HB ILE A 57 1.577 2.836 -2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.572 3.137 -2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.845 2.742 -1.158 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.575 2.929 -4.699 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.569 4.359 -4.366 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.343 4.482 -4.291 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.563 0.718 -2.330 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.792 0.740 -2.149 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.531 1.141 -3.718 1.00 0.00 H new ATOM 924 N GLU A 58 1.680 6.637 -3.110 1.00 0.00 N ATOM 925 CA GLU A 58 0.753 7.573 -3.736 1.00 0.00 C ATOM 926 C GLU A 58 0.714 7.371 -5.248 1.00 0.00 C ATOM 927 O GLU A 58 1.746 7.399 -5.915 1.00 0.00 O ATOM 928 CB GLU A 58 1.152 9.014 -3.412 1.00 0.00 C ATOM 929 CG GLU A 58 0.099 10.039 -3.801 1.00 0.00 C ATOM 930 CD GLU A 58 0.632 11.458 -3.781 1.00 0.00 C ATOM 931 OE1 GLU A 58 1.550 11.759 -4.572 1.00 0.00 O ATOM 932 OE2 GLU A 58 0.131 12.269 -2.974 1.00 0.00 O ATOM 0 H GLU A 58 2.663 6.821 -3.309 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.243 7.381 -3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.349 9.096 -2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.083 9.249 -3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.275 9.809 -4.799 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.747 9.963 -3.118 1.00 0.00 H new ATOM 939 N MET A 59 -0.487 7.167 -5.780 1.00 0.00 N ATOM 940 CA MET A 59 -0.662 6.961 -7.214 1.00 0.00 C ATOM 941 C MET A 59 -1.102 8.251 -7.899 1.00 0.00 C ATOM 942 O MET A 59 -1.719 9.116 -7.276 1.00 0.00 O ATOM 943 CB MET A 59 -1.688 5.858 -7.471 1.00 0.00 C ATOM 944 CG MET A 59 -1.365 4.550 -6.767 1.00 0.00 C ATOM 945 SD MET A 59 0.148 3.786 -7.383 1.00 0.00 S ATOM 946 CE MET A 59 -0.442 3.043 -8.901 1.00 0.00 C ATOM 0 H MET A 59 -1.352 7.140 -5.241 1.00 0.00 H new ATOM 0 HA MET A 59 0.298 6.658 -7.632 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.669 6.203 -7.146 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.753 5.677 -8.544 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.266 4.732 -5.697 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.196 3.857 -6.897 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.397 2.607 -9.443 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.167 2.263 -8.667 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.916 3.805 -9.519 1.00 0.00 H new ATOM 956 N ALA A 60 -0.779 8.375 -9.182 1.00 0.00 N ATOM 957 CA ALA A 60 -1.144 9.559 -9.950 1.00 0.00 C ATOM 958 C ALA A 60 -2.657 9.736 -10.002 1.00 0.00 C ATOM 959 O ALA A 60 -3.158 10.853 -10.125 1.00 0.00 O ATOM 960 CB ALA A 60 -0.572 9.471 -11.358 1.00 0.00 C ATOM 0 H ALA A 60 -0.265 7.670 -9.711 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.720 10.430 -9.451 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.852 10.361 -11.921 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.515 9.402 -11.306 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.968 8.587 -11.857 1.00 0.00 H new ATOM 966 N THR A 61 -3.382 8.625 -9.908 1.00 0.00 N ATOM 967 CA THR A 61 -4.839 8.658 -9.945 1.00 0.00 C ATOM 968 C THR A 61 -5.437 7.725 -8.897 1.00 0.00 C ATOM 969 O THR A 61 -5.020 6.575 -8.764 1.00 0.00 O ATOM 970 CB THR A 61 -5.374 8.261 -11.334 1.00 0.00 C ATOM 971 OG1 THR A 61 -5.044 6.895 -11.614 1.00 0.00 O ATOM 972 CG2 THR A 61 -4.793 9.160 -12.415 1.00 0.00 C ATOM 0 H THR A 61 -2.984 7.692 -9.806 1.00 0.00 H new ATOM 0 HA THR A 61 -5.138 9.683 -9.728 1.00 0.00 H new ATOM 0 HB THR A 61 -6.458 8.379 -11.329 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.098 6.739 -11.411 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.185 8.861 -13.387 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.070 10.195 -12.215 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.707 9.069 -12.419 1.00 0.00 H new ATOM 980 N THR A 62 -6.417 8.230 -8.155 1.00 0.00 N ATOM 981 CA THR A 62 -7.073 7.442 -7.118 1.00 0.00 C ATOM 982 C THR A 62 -7.629 6.141 -7.685 1.00 0.00 C ATOM 983 O THR A 62 -7.870 5.186 -6.947 1.00 0.00 O ATOM 984 CB THR A 62 -8.218 8.230 -6.454 1.00 0.00 C ATOM 985 OG1 THR A 62 -8.848 7.426 -5.451 1.00 0.00 O ATOM 986 CG2 THR A 62 -9.248 8.663 -7.486 1.00 0.00 C ATOM 0 H THR A 62 -6.774 9.180 -8.252 1.00 0.00 H new ATOM 0 HA THR A 62 -6.316 7.214 -6.368 1.00 0.00 H new ATOM 0 HB THR A 62 -7.795 9.122 -5.992 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.913 7.936 -4.617 1.00 0.00 H new ATOM 0 HG21 THR A 62 -10.046 9.218 -6.993 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.771 9.299 -8.231 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.666 7.783 -7.975 1.00 0.00 H new ATOM 994 N GLU A 63 -7.830 6.112 -8.999 1.00 0.00 N ATOM 995 CA GLU A 63 -8.359 4.925 -9.664 1.00 0.00 C ATOM 996 C GLU A 63 -7.381 3.760 -9.554 1.00 0.00 C ATOM 997 O GLU A 63 -7.786 2.598 -9.514 1.00 0.00 O ATOM 998 CB GLU A 63 -8.649 5.226 -11.135 1.00 0.00 C ATOM 999 CG GLU A 63 -10.118 5.483 -11.426 1.00 0.00 C ATOM 1000 CD GLU A 63 -10.951 4.216 -11.384 1.00 0.00 C ATOM 1001 OE1 GLU A 63 -10.670 3.350 -10.530 1.00 0.00 O ATOM 1002 OE2 GLU A 63 -11.884 4.091 -12.205 1.00 0.00 O ATOM 0 H GLU A 63 -7.635 6.895 -9.623 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.288 4.644 -9.168 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.069 6.097 -11.440 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.308 4.388 -11.743 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.509 6.195 -10.699 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.215 5.945 -12.409 1.00 0.00 H new ATOM 1009 N ASP A 64 -6.092 4.079 -9.506 1.00 0.00 N ATOM 1010 CA ASP A 64 -5.055 3.058 -9.402 1.00 0.00 C ATOM 1011 C ASP A 64 -4.927 2.559 -7.965 1.00 0.00 C ATOM 1012 O ASP A 64 -5.197 1.395 -7.675 1.00 0.00 O ATOM 1013 CB ASP A 64 -3.714 3.612 -9.884 1.00 0.00 C ATOM 1014 CG ASP A 64 -3.807 4.233 -11.264 1.00 0.00 C ATOM 1015 OD1 ASP A 64 -4.552 3.694 -12.109 1.00 0.00 O ATOM 1016 OD2 ASP A 64 -3.136 5.260 -11.498 1.00 0.00 O ATOM 0 H ASP A 64 -5.740 5.036 -9.537 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.341 2.218 -10.036 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.357 4.360 -9.176 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.977 2.809 -9.899 1.00 0.00 H new ATOM 1021 N ALA A 65 -4.512 3.450 -7.071 1.00 0.00 N ATOM 1022 CA ALA A 65 -4.349 3.101 -5.664 1.00 0.00 C ATOM 1023 C ALA A 65 -5.545 2.305 -5.154 1.00 0.00 C ATOM 1024 O ALA A 65 -5.383 1.251 -4.539 1.00 0.00 O ATOM 1025 CB ALA A 65 -4.152 4.357 -4.828 1.00 0.00 C ATOM 0 H ALA A 65 -4.283 4.418 -7.295 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.462 2.474 -5.571 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.032 4.082 -3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.261 4.885 -5.169 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.022 5.005 -4.935 1.00 0.00 H new ATOM 1031 N GLN A 66 -6.744 2.817 -5.411 1.00 0.00 N ATOM 1032 CA GLN A 66 -7.967 2.153 -4.976 1.00 0.00 C ATOM 1033 C GLN A 66 -8.053 0.741 -5.545 1.00 0.00 C ATOM 1034 O GLN A 66 -8.463 -0.192 -4.857 1.00 0.00 O ATOM 1035 CB GLN A 66 -9.192 2.963 -5.404 1.00 0.00 C ATOM 1036 CG GLN A 66 -9.421 4.209 -4.563 1.00 0.00 C ATOM 1037 CD GLN A 66 -10.863 4.675 -4.592 1.00 0.00 C ATOM 1038 OE1 GLN A 66 -11.791 3.865 -4.567 1.00 0.00 O ATOM 1039 NE2 GLN A 66 -11.061 5.987 -4.644 1.00 0.00 N ATOM 0 H GLN A 66 -6.895 3.689 -5.918 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.946 2.086 -3.888 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.078 3.255 -6.448 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.076 2.328 -5.346 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.129 4.006 -3.533 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -8.777 5.010 -4.925 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.264 6.623 -4.663 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.010 6.359 -4.665 1.00 0.00 H new ATOM 1048 N ALA A 67 -7.663 0.592 -6.807 1.00 0.00 N ATOM 1049 CA ALA A 67 -7.694 -0.707 -7.469 1.00 0.00 C ATOM 1050 C ALA A 67 -6.754 -1.693 -6.785 1.00 0.00 C ATOM 1051 O ALA A 67 -7.150 -2.806 -6.441 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.330 -0.559 -8.938 1.00 0.00 C ATOM 0 H ALA A 67 -7.322 1.355 -7.392 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.708 -1.101 -7.396 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.357 -1.536 -9.420 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.044 0.105 -9.425 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.328 -0.140 -9.024 1.00 0.00 H new ATOM 1058 N ALA A 68 -5.506 -1.278 -6.592 1.00 0.00 N ATOM 1059 CA ALA A 68 -4.510 -2.125 -5.950 1.00 0.00 C ATOM 1060 C ALA A 68 -5.071 -2.770 -4.686 1.00 0.00 C ATOM 1061 O ALA A 68 -4.716 -3.898 -4.343 1.00 0.00 O ATOM 1062 CB ALA A 68 -3.262 -1.318 -5.623 1.00 0.00 C ATOM 0 H ALA A 68 -5.161 -0.360 -6.872 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.243 -2.921 -6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.526 -1.964 -5.144 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.842 -0.909 -6.542 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.523 -0.502 -4.949 1.00 0.00 H new ATOM 1068 N VAL A 69 -5.946 -2.045 -3.997 1.00 0.00 N ATOM 1069 CA VAL A 69 -6.557 -2.547 -2.771 1.00 0.00 C ATOM 1070 C VAL A 69 -7.613 -3.604 -3.075 1.00 0.00 C ATOM 1071 O VAL A 69 -7.776 -4.565 -2.324 1.00 0.00 O ATOM 1072 CB VAL A 69 -7.204 -1.408 -1.960 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -8.105 -1.973 -0.872 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -6.135 -0.506 -1.363 1.00 0.00 C ATOM 0 H VAL A 69 -6.248 -1.109 -4.266 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.759 -2.996 -2.180 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.818 -0.809 -2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.553 -1.154 -0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.892 -2.574 -1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.516 -2.596 -0.199 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.610 0.293 -0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.493 -1.090 -0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.535 -0.074 -2.164 1.00 0.00 H new ATOM 1084 N ASP A 70 -8.325 -3.418 -4.181 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.365 -4.357 -4.586 1.00 0.00 C ATOM 1086 C ASP A 70 -8.759 -5.694 -5.001 1.00 0.00 C ATOM 1087 O ASP A 70 -9.459 -6.702 -5.094 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.187 -3.776 -5.737 1.00 0.00 C ATOM 1089 CG ASP A 70 -11.680 -3.909 -5.509 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -12.157 -5.053 -5.362 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -12.371 -2.869 -5.478 1.00 0.00 O ATOM 0 H ASP A 70 -8.201 -2.627 -4.813 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.020 -4.526 -3.731 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.935 -2.723 -5.864 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.918 -4.283 -6.664 1.00 0.00 H new ATOM 1096 N TYR A 71 -7.455 -5.694 -5.250 1.00 0.00 N ATOM 1097 CA TYR A 71 -6.754 -6.905 -5.659 1.00 0.00 C ATOM 1098 C TYR A 71 -6.379 -7.753 -4.448 1.00 0.00 C ATOM 1099 O TYR A 71 -6.253 -8.974 -4.545 1.00 0.00 O ATOM 1100 CB TYR A 71 -5.498 -6.549 -6.456 1.00 0.00 C ATOM 1101 CG TYR A 71 -4.915 -7.716 -7.220 1.00 0.00 C ATOM 1102 CD1 TYR A 71 -5.598 -8.283 -8.290 1.00 0.00 C ATOM 1103 CD2 TYR A 71 -3.681 -8.253 -6.873 1.00 0.00 C ATOM 1104 CE1 TYR A 71 -5.070 -9.350 -8.990 1.00 0.00 C ATOM 1105 CE2 TYR A 71 -3.145 -9.319 -7.569 1.00 0.00 C ATOM 1106 CZ TYR A 71 -3.843 -9.864 -8.627 1.00 0.00 C ATOM 1107 OH TYR A 71 -3.311 -10.927 -9.322 1.00 0.00 O ATOM 0 H TYR A 71 -6.861 -4.868 -5.176 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.425 -7.486 -6.292 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.737 -5.750 -7.157 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.743 -6.159 -5.773 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.558 -7.882 -8.579 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.132 -7.830 -6.045 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.615 -9.780 -9.817 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.184 -9.724 -7.286 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.441 -11.166 -8.939 1.00 0.00 H new ATOM 1117 N TYR A 72 -6.200 -7.096 -3.307 1.00 0.00 N ATOM 1118 CA TYR A 72 -5.836 -7.787 -2.076 1.00 0.00 C ATOM 1119 C TYR A 72 -7.036 -8.528 -1.493 1.00 0.00 C ATOM 1120 O TYR A 72 -6.881 -9.483 -0.731 1.00 0.00 O ATOM 1121 CB TYR A 72 -5.289 -6.793 -1.051 1.00 0.00 C ATOM 1122 CG TYR A 72 -6.048 -6.791 0.258 1.00 0.00 C ATOM 1123 CD1 TYR A 72 -7.402 -6.477 0.297 1.00 0.00 C ATOM 1124 CD2 TYR A 72 -5.413 -7.103 1.452 1.00 0.00 C ATOM 1125 CE1 TYR A 72 -8.100 -6.474 1.489 1.00 0.00 C ATOM 1126 CE2 TYR A 72 -6.104 -7.104 2.648 1.00 0.00 C ATOM 1127 CZ TYR A 72 -7.446 -6.789 2.662 1.00 0.00 C ATOM 1128 OH TYR A 72 -8.137 -6.787 3.852 1.00 0.00 O ATOM 0 H TYR A 72 -6.301 -6.086 -3.209 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.061 -8.516 -2.314 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.243 -7.026 -0.854 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.317 -5.791 -1.479 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -7.917 -6.231 -0.620 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.361 -7.349 1.446 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -9.151 -6.227 1.503 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.595 -7.350 3.568 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.531 -7.031 4.583 1.00 0.00 H new ATOM 1138 N THR A 73 -8.233 -8.081 -1.858 1.00 0.00 N ATOM 1139 CA THR A 73 -9.460 -8.700 -1.371 1.00 0.00 C ATOM 1140 C THR A 73 -9.834 -9.914 -2.212 1.00 0.00 C ATOM 1141 O THR A 73 -10.526 -10.819 -1.743 1.00 0.00 O ATOM 1142 CB THR A 73 -10.634 -7.702 -1.379 1.00 0.00 C ATOM 1143 OG1 THR A 73 -11.781 -8.289 -0.755 1.00 0.00 O ATOM 1144 CG2 THR A 73 -10.981 -7.288 -2.802 1.00 0.00 C ATOM 0 H THR A 73 -8.379 -7.293 -2.489 1.00 0.00 H new ATOM 0 HA THR A 73 -9.269 -9.017 -0.346 1.00 0.00 H new ATOM 0 HB THR A 73 -10.332 -6.815 -0.822 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.522 -7.648 -0.763 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.812 -6.583 -2.783 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.115 -6.815 -3.265 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.265 -8.169 -3.378 1.00 0.00 H new ATOM 1152 N THR A 74 -9.373 -9.930 -3.459 1.00 0.00 N ATOM 1153 CA THR A 74 -9.659 -11.033 -4.367 1.00 0.00 C ATOM 1154 C THR A 74 -8.442 -11.935 -4.538 1.00 0.00 C ATOM 1155 O THR A 74 -8.530 -13.011 -5.129 1.00 0.00 O ATOM 1156 CB THR A 74 -10.104 -10.523 -5.750 1.00 0.00 C ATOM 1157 OG1 THR A 74 -9.145 -9.590 -6.260 1.00 0.00 O ATOM 1158 CG2 THR A 74 -11.471 -9.859 -5.668 1.00 0.00 C ATOM 0 H THR A 74 -8.799 -9.190 -3.863 1.00 0.00 H new ATOM 0 HA THR A 74 -10.472 -11.605 -3.921 1.00 0.00 H new ATOM 0 HB THR A 74 -10.172 -11.378 -6.423 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.299 -8.710 -5.858 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.764 -9.507 -6.657 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.205 -10.580 -5.307 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.424 -9.014 -4.981 1.00 0.00 H new ATOM 1166 N THR A 75 -7.303 -11.489 -4.016 1.00 0.00 N ATOM 1167 CA THR A 75 -6.067 -12.255 -4.112 1.00 0.00 C ATOM 1168 C THR A 75 -5.134 -11.939 -2.949 1.00 0.00 C ATOM 1169 O THR A 75 -4.985 -10.789 -2.535 1.00 0.00 O ATOM 1170 CB THR A 75 -5.332 -11.974 -5.436 1.00 0.00 C ATOM 1171 OG1 THR A 75 -6.149 -12.373 -6.543 1.00 0.00 O ATOM 1172 CG2 THR A 75 -4.005 -12.714 -5.486 1.00 0.00 C ATOM 0 H THR A 75 -7.212 -10.601 -3.522 1.00 0.00 H new ATOM 0 HA THR A 75 -6.345 -13.308 -4.077 1.00 0.00 H new ATOM 0 HB THR A 75 -5.135 -10.904 -5.497 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.676 -12.190 -7.381 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.504 -12.500 -6.430 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.375 -12.387 -4.659 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.183 -13.786 -5.405 1.00 0.00 H new ATOM 1180 N PRO A 76 -4.486 -12.982 -2.407 1.00 0.00 N ATOM 1181 CA PRO A 76 -3.554 -12.840 -1.285 1.00 0.00 C ATOM 1182 C PRO A 76 -2.268 -12.125 -1.688 1.00 0.00 C ATOM 1183 O PRO A 76 -1.550 -12.575 -2.581 1.00 0.00 O ATOM 1184 CB PRO A 76 -3.258 -14.287 -0.884 1.00 0.00 C ATOM 1185 CG PRO A 76 -3.500 -15.080 -2.122 1.00 0.00 C ATOM 1186 CD PRO A 76 -4.615 -14.381 -2.851 1.00 0.00 C ATOM 0 HA PRO A 76 -3.974 -12.238 -0.479 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.231 -14.399 -0.536 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.907 -14.613 -0.071 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.601 -15.127 -2.737 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.775 -16.107 -1.880 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.508 -14.471 -3.932 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.588 -14.797 -2.591 1.00 0.00 H new ATOM 1194 N ALA A 77 -1.983 -11.011 -1.022 1.00 0.00 N ATOM 1195 CA ALA A 77 -0.782 -10.235 -1.308 1.00 0.00 C ATOM 1196 C ALA A 77 0.393 -10.712 -0.462 1.00 0.00 C ATOM 1197 O ALA A 77 0.651 -10.177 0.618 1.00 0.00 O ATOM 1198 CB ALA A 77 -1.041 -8.755 -1.070 1.00 0.00 C ATOM 0 H ALA A 77 -2.567 -10.625 -0.280 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.524 -10.383 -2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.136 -8.188 -1.287 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.846 -8.417 -1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.326 -8.598 -0.030 1.00 0.00 H new ATOM 1204 N LEU A 78 1.103 -11.719 -0.958 1.00 0.00 N ATOM 1205 CA LEU A 78 2.253 -12.268 -0.247 1.00 0.00 C ATOM 1206 C LEU A 78 3.518 -11.479 -0.566 1.00 0.00 C ATOM 1207 O LEU A 78 4.052 -11.562 -1.673 1.00 0.00 O ATOM 1208 CB LEU A 78 2.448 -13.740 -0.614 1.00 0.00 C ATOM 1209 CG LEU A 78 1.319 -14.689 -0.212 1.00 0.00 C ATOM 1210 CD1 LEU A 78 1.670 -16.122 -0.579 1.00 0.00 C ATOM 1211 CD2 LEU A 78 1.031 -14.573 1.278 1.00 0.00 C ATOM 0 H LEU A 78 0.903 -12.172 -1.850 1.00 0.00 H new ATOM 0 HA LEU A 78 2.060 -12.190 0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.586 -13.809 -1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.371 -14.090 -0.151 1.00 0.00 H new ATOM 0 HG LEU A 78 0.420 -14.406 -0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.855 -16.783 -0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.826 -16.194 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.582 -16.418 -0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.225 -15.255 1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.927 -14.830 1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.735 -13.551 1.513 1.00 0.00 H new ATOM 1223 N VAL A 79 3.996 -10.715 0.412 1.00 0.00 N ATOM 1224 CA VAL A 79 5.201 -9.914 0.236 1.00 0.00 C ATOM 1225 C VAL A 79 6.434 -10.661 0.733 1.00 0.00 C ATOM 1226 O VAL A 79 6.510 -11.050 1.899 1.00 0.00 O ATOM 1227 CB VAL A 79 5.094 -8.570 0.979 1.00 0.00 C ATOM 1228 CG1 VAL A 79 6.342 -7.730 0.748 1.00 0.00 C ATOM 1229 CG2 VAL A 79 3.847 -7.817 0.540 1.00 0.00 C ATOM 0 H VAL A 79 3.567 -10.634 1.334 1.00 0.00 H new ATOM 0 HA VAL A 79 5.302 -9.723 -0.832 1.00 0.00 H new ATOM 0 HB VAL A 79 5.013 -8.771 2.047 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.248 -6.784 1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.216 -8.268 1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.458 -7.536 -0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.787 -6.869 1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.896 -7.626 -0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.964 -8.416 0.762 1.00 0.00 H new ATOM 1239 N PHE A 80 7.400 -10.856 -0.158 1.00 0.00 N ATOM 1240 CA PHE A 80 8.631 -11.557 0.189 1.00 0.00 C ATOM 1241 C PHE A 80 8.349 -13.019 0.526 1.00 0.00 C ATOM 1242 O PHE A 80 9.244 -13.756 0.934 1.00 0.00 O ATOM 1243 CB PHE A 80 9.315 -10.872 1.374 1.00 0.00 C ATOM 1244 CG PHE A 80 10.410 -9.927 0.968 1.00 0.00 C ATOM 1245 CD1 PHE A 80 11.362 -10.307 0.036 1.00 0.00 C ATOM 1246 CD2 PHE A 80 10.489 -8.658 1.521 1.00 0.00 C ATOM 1247 CE1 PHE A 80 12.370 -9.439 -0.340 1.00 0.00 C ATOM 1248 CE2 PHE A 80 11.496 -7.787 1.150 1.00 0.00 C ATOM 1249 CZ PHE A 80 12.438 -8.179 0.219 1.00 0.00 C ATOM 0 H PHE A 80 7.354 -10.538 -1.126 1.00 0.00 H new ATOM 0 HA PHE A 80 9.295 -11.523 -0.675 1.00 0.00 H new ATOM 0 HB2 PHE A 80 8.568 -10.325 1.948 1.00 0.00 H new ATOM 0 HB3 PHE A 80 9.729 -11.634 2.034 1.00 0.00 H new ATOM 0 HD1 PHE A 80 11.316 -11.293 -0.402 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.755 -8.347 2.250 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.104 -9.747 -1.070 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.546 -6.801 1.588 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.227 -7.501 -0.071 1.00 0.00 H new ATOM 1259 N GLY A 81 7.096 -13.428 0.352 1.00 0.00 N ATOM 1260 CA GLY A 81 6.716 -14.799 0.643 1.00 0.00 C ATOM 1261 C GLY A 81 5.704 -14.894 1.767 1.00 0.00 C ATOM 1262 O GLY A 81 5.040 -15.919 1.928 1.00 0.00 O ATOM 0 H GLY A 81 6.337 -12.835 0.015 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.301 -15.256 -0.255 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.605 -15.370 0.910 1.00 0.00 H new ATOM 1266 N LYS A 82 5.584 -13.824 2.546 1.00 0.00 N ATOM 1267 CA LYS A 82 4.645 -13.791 3.660 1.00 0.00 C ATOM 1268 C LYS A 82 3.481 -12.850 3.364 1.00 0.00 C ATOM 1269 O LYS A 82 3.615 -11.872 2.628 1.00 0.00 O ATOM 1270 CB LYS A 82 5.357 -13.350 4.941 1.00 0.00 C ATOM 1271 CG LYS A 82 6.279 -12.159 4.744 1.00 0.00 C ATOM 1272 CD LYS A 82 7.687 -12.597 4.376 1.00 0.00 C ATOM 1273 CE LYS A 82 8.727 -11.600 4.861 1.00 0.00 C ATOM 1274 NZ LYS A 82 9.465 -12.104 6.053 1.00 0.00 N ATOM 0 H LYS A 82 6.126 -12.968 2.426 1.00 0.00 H new ATOM 0 HA LYS A 82 4.250 -14.797 3.798 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.610 -13.100 5.694 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.936 -14.187 5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.881 -11.516 3.960 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.309 -11.566 5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.890 -13.576 4.811 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.764 -12.707 3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.434 -11.392 4.057 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.239 -10.657 5.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.199 -11.418 6.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.802 -12.230 6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.910 -13.016 5.826 1.00 0.00 H new ATOM 1288 N PRO A 83 2.313 -13.151 3.949 1.00 0.00 N ATOM 1289 CA PRO A 83 1.104 -12.342 3.763 1.00 0.00 C ATOM 1290 C PRO A 83 1.206 -10.981 4.441 1.00 0.00 C ATOM 1291 O PRO A 83 1.826 -10.848 5.497 1.00 0.00 O ATOM 1292 CB PRO A 83 0.008 -13.187 4.420 1.00 0.00 C ATOM 1293 CG PRO A 83 0.725 -14.022 5.424 1.00 0.00 C ATOM 1294 CD PRO A 83 2.081 -14.302 4.838 1.00 0.00 C ATOM 0 HA PRO A 83 0.919 -12.121 2.712 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.746 -12.558 4.894 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.508 -13.806 3.686 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.812 -13.499 6.376 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.185 -14.949 5.618 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.846 -14.373 5.611 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.095 -15.243 4.289 1.00 0.00 H new ATOM 1302 N VAL A 84 0.594 -9.972 3.830 1.00 0.00 N ATOM 1303 CA VAL A 84 0.615 -8.620 4.377 1.00 0.00 C ATOM 1304 C VAL A 84 -0.779 -8.004 4.370 1.00 0.00 C ATOM 1305 O VAL A 84 -1.769 -8.685 4.105 1.00 0.00 O ATOM 1306 CB VAL A 84 1.571 -7.710 3.584 1.00 0.00 C ATOM 1307 CG1 VAL A 84 2.970 -8.306 3.549 1.00 0.00 C ATOM 1308 CG2 VAL A 84 1.045 -7.482 2.175 1.00 0.00 C ATOM 0 H VAL A 84 0.077 -10.065 2.956 1.00 0.00 H new ATOM 0 HA VAL A 84 0.969 -8.698 5.405 1.00 0.00 H new ATOM 0 HB VAL A 84 1.625 -6.745 4.087 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.631 -7.649 2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.346 -8.412 4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.937 -9.285 3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.734 -6.837 1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.959 -8.439 1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.065 -7.007 2.225 1.00 0.00 H new ATOM 1318 N ARG A 85 -0.848 -6.709 4.662 1.00 0.00 N ATOM 1319 CA ARG A 85 -2.122 -6.000 4.692 1.00 0.00 C ATOM 1320 C ARG A 85 -2.087 -4.783 3.770 1.00 0.00 C ATOM 1321 O ARG A 85 -1.167 -3.968 3.835 1.00 0.00 O ATOM 1322 CB ARG A 85 -2.454 -5.561 6.120 1.00 0.00 C ATOM 1323 CG ARG A 85 -2.965 -6.691 6.999 1.00 0.00 C ATOM 1324 CD ARG A 85 -3.511 -6.166 8.317 1.00 0.00 C ATOM 1325 NE ARG A 85 -3.633 -7.222 9.319 1.00 0.00 N ATOM 1326 CZ ARG A 85 -4.034 -7.008 10.567 1.00 0.00 C ATOM 1327 NH1 ARG A 85 -4.352 -5.784 10.964 1.00 0.00 N ATOM 1328 NH2 ARG A 85 -4.119 -8.021 11.420 1.00 0.00 N ATOM 0 H ARG A 85 -0.037 -6.130 4.881 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.897 -6.681 4.340 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.562 -5.132 6.576 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.205 -4.772 6.084 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.746 -7.239 6.472 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.157 -7.396 7.193 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -2.855 -5.382 8.695 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.487 -5.711 8.149 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.397 -8.176 9.045 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.289 -5.003 10.310 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.660 -5.623 11.923 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.876 -8.964 11.117 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.427 -7.856 12.378 1.00 0.00 H new ATOM 1342 N VAL A 86 -3.095 -4.669 2.912 1.00 0.00 N ATOM 1343 CA VAL A 86 -3.181 -3.552 1.978 1.00 0.00 C ATOM 1344 C VAL A 86 -4.501 -2.805 2.134 1.00 0.00 C ATOM 1345 O VAL A 86 -5.574 -3.361 1.898 1.00 0.00 O ATOM 1346 CB VAL A 86 -3.043 -4.029 0.520 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -3.330 -2.888 -0.445 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -1.657 -4.607 0.277 1.00 0.00 C ATOM 0 H VAL A 86 -3.864 -5.336 2.844 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.356 -2.879 2.212 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.776 -4.816 0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.228 -3.244 -1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.345 -2.524 -0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.623 -2.077 -0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.578 -4.939 -0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.905 -3.843 0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.494 -5.454 0.943 1.00 0.00 H new ATOM 1358 N HIS A 87 -4.415 -1.540 2.532 1.00 0.00 N ATOM 1359 CA HIS A 87 -5.603 -0.714 2.718 1.00 0.00 C ATOM 1360 C HIS A 87 -5.395 0.678 2.131 1.00 0.00 C ATOM 1361 O HIS A 87 -4.261 1.122 1.945 1.00 0.00 O ATOM 1362 CB HIS A 87 -5.947 -0.607 4.204 1.00 0.00 C ATOM 1363 CG HIS A 87 -6.165 -1.933 4.866 1.00 0.00 C ATOM 1364 ND1 HIS A 87 -6.742 -3.067 4.406 1.00 0.00 N flip ATOM 1365 CD2 HIS A 87 -5.771 -2.203 6.160 1.00 0.00 C flip ATOM 1366 CE1 HIS A 87 -6.686 -3.993 5.418 1.00 0.00 C flip ATOM 1367 NE2 HIS A 87 -6.095 -3.447 6.466 1.00 0.00 N flip ATOM 0 H HIS A 87 -3.535 -1.064 2.732 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.432 -1.190 2.193 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.142 -0.082 4.718 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.846 -0.001 4.318 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -7.144 -3.208 3.479 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.275 -1.507 6.820 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -7.064 -5.003 5.366 1.00 0.00 H new ATOM 1375 N LEU A 88 -6.495 1.362 1.838 1.00 0.00 N ATOM 1376 CA LEU A 88 -6.434 2.705 1.271 1.00 0.00 C ATOM 1377 C LEU A 88 -6.577 3.763 2.359 1.00 0.00 C ATOM 1378 O LEU A 88 -7.689 4.146 2.725 1.00 0.00 O ATOM 1379 CB LEU A 88 -7.530 2.886 0.220 1.00 0.00 C ATOM 1380 CG LEU A 88 -7.079 3.438 -1.133 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -6.579 4.867 -0.985 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -5.999 2.552 -1.736 1.00 0.00 C ATOM 0 H LEU A 88 -7.441 1.009 1.984 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.460 2.828 0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.010 1.921 0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.289 3.554 0.627 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.935 3.442 -1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.262 5.244 -1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.381 5.495 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.735 4.888 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.690 2.959 -2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.141 2.516 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.392 1.545 -1.878 1.00 0.00 H new ATOM 1394 N SER A 89 -5.445 4.234 2.872 1.00 0.00 N ATOM 1395 CA SER A 89 -5.444 5.249 3.921 1.00 0.00 C ATOM 1396 C SER A 89 -6.465 6.342 3.620 1.00 0.00 C ATOM 1397 O SER A 89 -6.989 6.984 4.529 1.00 0.00 O ATOM 1398 CB SER A 89 -4.050 5.862 4.066 1.00 0.00 C ATOM 1399 OG SER A 89 -3.576 5.742 5.396 1.00 0.00 O ATOM 0 H SER A 89 -4.517 3.930 2.579 1.00 0.00 H new ATOM 0 HA SER A 89 -5.720 4.767 4.859 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.359 5.367 3.384 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.080 6.914 3.781 1.00 0.00 H new ATOM 0 HG SER A 89 -2.683 6.140 5.462 1.00 0.00 H new ATOM 1405 N GLN A 90 -6.741 6.547 2.336 1.00 0.00 N ATOM 1406 CA GLN A 90 -7.697 7.564 1.914 1.00 0.00 C ATOM 1407 C GLN A 90 -7.329 8.930 2.485 1.00 0.00 C ATOM 1408 O GLN A 90 -8.159 9.838 2.535 1.00 0.00 O ATOM 1409 CB GLN A 90 -9.110 7.178 2.354 1.00 0.00 C ATOM 1410 CG GLN A 90 -9.981 6.663 1.219 1.00 0.00 C ATOM 1411 CD GLN A 90 -11.143 5.823 1.710 1.00 0.00 C ATOM 1412 OE1 GLN A 90 -11.556 5.928 2.866 1.00 0.00 O ATOM 1413 NE2 GLN A 90 -11.679 4.982 0.834 1.00 0.00 N ATOM 0 H GLN A 90 -6.317 6.023 1.571 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.666 7.626 0.826 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -9.044 6.412 3.127 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.591 8.046 2.805 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.365 7.509 0.648 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.371 6.069 0.538 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.306 4.927 -0.114 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.464 4.391 1.109 1.00 0.00 H new ATOM 1422 N LYS A 91 -6.080 9.067 2.916 1.00 0.00 N ATOM 1423 CA LYS A 91 -5.600 10.321 3.485 1.00 0.00 C ATOM 1424 C LYS A 91 -4.076 10.381 3.462 1.00 0.00 C ATOM 1425 O LYS A 91 -3.419 9.506 2.897 1.00 0.00 O ATOM 1426 CB LYS A 91 -6.106 10.482 4.920 1.00 0.00 C ATOM 1427 CG LYS A 91 -5.482 9.501 5.898 1.00 0.00 C ATOM 1428 CD LYS A 91 -4.395 10.159 6.731 1.00 0.00 C ATOM 1429 CE LYS A 91 -4.889 10.489 8.131 1.00 0.00 C ATOM 1430 NZ LYS A 91 -4.902 9.288 9.012 1.00 0.00 N ATOM 0 H LYS A 91 -5.381 8.325 2.882 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.988 11.138 2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.901 11.498 5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.188 10.355 4.931 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.254 9.101 6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.062 8.658 5.350 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.533 9.496 6.795 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.059 11.071 6.238 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.250 11.255 8.570 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.894 10.907 8.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.245 9.554 9.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.532 8.567 8.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.939 8.903 9.089 1.00 0.00 H new ATOM 1444 N TYR A 92 -3.520 11.416 4.081 1.00 0.00 N ATOM 1445 CA TYR A 92 -2.073 11.590 4.130 1.00 0.00 C ATOM 1446 C TYR A 92 -1.553 12.205 2.835 1.00 0.00 C ATOM 1447 O TYR A 92 -2.146 12.034 1.770 1.00 0.00 O ATOM 1448 CB TYR A 92 -1.385 10.247 4.381 1.00 0.00 C ATOM 1449 CG TYR A 92 -0.216 10.334 5.336 1.00 0.00 C ATOM 1450 CD1 TYR A 92 -0.318 11.040 6.528 1.00 0.00 C ATOM 1451 CD2 TYR A 92 0.992 9.712 5.045 1.00 0.00 C ATOM 1452 CE1 TYR A 92 0.749 11.124 7.402 1.00 0.00 C ATOM 1453 CE2 TYR A 92 2.063 9.788 5.913 1.00 0.00 C ATOM 1454 CZ TYR A 92 1.937 10.497 7.091 1.00 0.00 C ATOM 1455 OH TYR A 92 3.002 10.576 7.958 1.00 0.00 O ATOM 0 H TYR A 92 -4.049 12.147 4.556 1.00 0.00 H new ATOM 0 HA TYR A 92 -1.843 12.269 4.951 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -2.116 9.543 4.778 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.037 9.843 3.430 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -1.247 11.532 6.776 1.00 0.00 H new ATOM 0 HD2 TYR A 92 1.095 9.159 4.123 1.00 0.00 H new ATOM 0 HE1 TYR A 92 0.653 11.678 8.324 1.00 0.00 H new ATOM 0 HE2 TYR A 92 2.994 9.296 5.672 1.00 0.00 H new ATOM 0 HH TYR A 92 3.762 10.079 7.589 1.00 0.00 H new ATOM 1465 N LYS A 93 -0.439 12.923 2.935 1.00 0.00 N ATOM 1466 CA LYS A 93 0.165 13.564 1.773 1.00 0.00 C ATOM 1467 C LYS A 93 1.670 13.723 1.959 1.00 0.00 C ATOM 1468 O LYS A 93 2.445 13.540 1.020 1.00 0.00 O ATOM 1469 CB LYS A 93 -0.477 14.932 1.528 1.00 0.00 C ATOM 1470 CG LYS A 93 -0.272 15.457 0.118 1.00 0.00 C ATOM 1471 CD LYS A 93 0.849 16.482 0.061 1.00 0.00 C ATOM 1472 CE LYS A 93 0.354 17.821 -0.463 1.00 0.00 C ATOM 1473 NZ LYS A 93 1.475 18.679 -0.937 1.00 0.00 N ATOM 0 H LYS A 93 0.064 13.075 3.809 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.010 12.927 0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.546 14.863 1.729 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.065 15.650 2.237 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.042 14.627 -0.550 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.197 15.908 -0.241 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.274 16.614 1.056 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.649 16.112 -0.580 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.347 17.654 -1.281 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.193 18.340 0.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.097 19.583 -1.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.131 18.859 -0.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.981 18.195 -1.706 1.00 0.00 H new ATOM 1487 N ARG A 94 2.078 14.062 3.178 1.00 0.00 N ATOM 1488 CA ARG A 94 3.492 14.245 3.487 1.00 0.00 C ATOM 1489 C ARG A 94 4.320 13.084 2.946 1.00 0.00 C ATOM 1490 O ARG A 94 4.539 12.089 3.637 1.00 0.00 O ATOM 1491 CB ARG A 94 3.692 14.368 4.998 1.00 0.00 C ATOM 1492 CG ARG A 94 3.254 15.709 5.564 1.00 0.00 C ATOM 1493 CD ARG A 94 4.445 16.534 6.028 1.00 0.00 C ATOM 1494 NE ARG A 94 4.696 16.377 7.458 1.00 0.00 N ATOM 1495 CZ ARG A 94 5.674 17.000 8.105 1.00 0.00 C ATOM 1496 NH1 ARG A 94 6.489 17.818 7.454 1.00 0.00 N ATOM 1497 NH2 ARG A 94 5.839 16.805 9.408 1.00 0.00 N ATOM 0 H ARG A 94 1.450 14.215 3.967 1.00 0.00 H new ATOM 0 HA ARG A 94 3.829 15.164 3.007 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.135 13.574 5.495 1.00 0.00 H new ATOM 0 HB3 ARG A 94 4.745 14.212 5.230 1.00 0.00 H new ATOM 0 HG2 ARG A 94 2.700 16.262 4.805 1.00 0.00 H new ATOM 0 HG3 ARG A 94 2.574 15.548 6.400 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.332 16.236 5.469 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.266 17.586 5.805 1.00 0.00 H new ATOM 0 HE ARG A 94 4.087 15.755 7.989 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.366 17.970 6.453 1.00 0.00 H new ATOM 0 HH12 ARG A 94 7.239 18.295 7.954 1.00 0.00 H new ATOM 0 HH21 ARG A 94 5.214 16.176 9.913 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.591 17.284 9.904 1.00 0.00 H new ATOM 1511 N ILE A 95 4.779 13.220 1.706 1.00 0.00 N ATOM 1512 CA ILE A 95 5.585 12.183 1.073 1.00 0.00 C ATOM 1513 C ILE A 95 6.705 12.790 0.237 1.00 0.00 C ATOM 1514 O ILE A 95 6.495 13.759 -0.495 1.00 0.00 O ATOM 1515 CB ILE A 95 4.726 11.273 0.175 1.00 0.00 C ATOM 1516 CG1 ILE A 95 3.685 10.527 1.013 1.00 0.00 C ATOM 1517 CG2 ILE A 95 5.608 10.290 -0.581 1.00 0.00 C ATOM 1518 CD1 ILE A 95 2.731 9.692 0.190 1.00 0.00 C ATOM 0 H ILE A 95 4.607 14.037 1.120 1.00 0.00 H new ATOM 0 HA ILE A 95 6.017 11.586 1.876 1.00 0.00 H new ATOM 0 HB ILE A 95 4.202 11.895 -0.551 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.199 9.881 1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.113 11.250 1.594 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.987 9.654 -1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.314 10.839 -1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.156 9.672 0.130 1.00 0.00 H new ATOM 0 HD11 ILE A 95 2.022 9.192 0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.190 10.335 -0.503 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.292 8.945 -0.371 1.00 0.00 H new ATOM 1530 N LYS A 96 7.898 12.216 0.349 1.00 0.00 N ATOM 1531 CA LYS A 96 9.053 12.698 -0.399 1.00 0.00 C ATOM 1532 C LYS A 96 9.252 14.196 -0.188 1.00 0.00 C ATOM 1533 O LYS A 96 8.611 15.015 -0.847 1.00 0.00 O ATOM 1534 CB LYS A 96 8.882 12.401 -1.890 1.00 0.00 C ATOM 1535 CG LYS A 96 10.167 11.965 -2.575 1.00 0.00 C ATOM 1536 CD LYS A 96 10.999 13.159 -3.011 1.00 0.00 C ATOM 1537 CE LYS A 96 11.968 13.591 -1.921 1.00 0.00 C ATOM 1538 NZ LYS A 96 12.002 15.070 -1.762 1.00 0.00 N ATOM 0 H LYS A 96 8.090 11.416 0.951 1.00 0.00 H new ATOM 0 HA LYS A 96 9.936 12.176 -0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.132 11.620 -2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.499 13.292 -2.388 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.750 11.343 -1.895 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.927 11.351 -3.443 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.555 12.906 -3.914 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.340 13.990 -3.264 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.680 13.131 -0.976 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.968 13.229 -2.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.450 15.311 -0.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.548 15.490 -2.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.031 15.443 -1.779 1.00 0.00 H new ATOM 1552 N SER A 97 10.143 14.547 0.734 1.00 0.00 N ATOM 1553 CA SER A 97 10.423 15.947 1.032 1.00 0.00 C ATOM 1554 C SER A 97 11.687 16.079 1.876 1.00 0.00 C ATOM 1555 O SER A 97 11.716 15.681 3.039 1.00 0.00 O ATOM 1556 CB SER A 97 9.240 16.581 1.764 1.00 0.00 C ATOM 1557 OG SER A 97 9.445 17.970 1.959 1.00 0.00 O ATOM 0 H SER A 97 10.683 13.882 1.287 1.00 0.00 H new ATOM 0 HA SER A 97 10.579 16.470 0.088 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.326 16.422 1.191 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.101 16.092 2.728 1.00 0.00 H new ATOM 0 HG SER A 97 8.674 18.352 2.428 1.00 0.00 H new ATOM 1563 N GLY A 98 12.733 16.643 1.279 1.00 0.00 N ATOM 1564 CA GLY A 98 13.987 16.818 1.989 1.00 0.00 C ATOM 1565 C GLY A 98 14.505 18.240 1.908 1.00 0.00 C ATOM 1566 O GLY A 98 13.768 19.175 1.594 1.00 0.00 O ATOM 0 H GLY A 98 12.734 16.982 0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.850 16.543 3.035 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.733 16.139 1.576 1.00 0.00 H new ATOM 1570 N PRO A 99 15.802 18.419 2.198 1.00 0.00 N ATOM 1571 CA PRO A 99 16.446 19.735 2.165 1.00 0.00 C ATOM 1572 C PRO A 99 16.589 20.276 0.746 1.00 0.00 C ATOM 1573 O PRO A 99 17.051 19.572 -0.153 1.00 0.00 O ATOM 1574 CB PRO A 99 17.825 19.471 2.777 1.00 0.00 C ATOM 1575 CG PRO A 99 18.082 18.026 2.522 1.00 0.00 C ATOM 1576 CD PRO A 99 16.740 17.350 2.581 1.00 0.00 C ATOM 0 HA PRO A 99 15.864 20.486 2.698 1.00 0.00 H new ATOM 0 HB2 PRO A 99 18.589 20.096 2.316 1.00 0.00 H new ATOM 0 HB3 PRO A 99 17.833 19.692 3.844 1.00 0.00 H new ATOM 0 HG2 PRO A 99 18.551 17.879 1.549 1.00 0.00 H new ATOM 0 HG3 PRO A 99 18.760 17.613 3.268 1.00 0.00 H new ATOM 0 HD2 PRO A 99 16.686 16.504 1.896 1.00 0.00 H new ATOM 0 HD3 PRO A 99 16.527 16.967 3.579 1.00 0.00 H new ATOM 1584 N SER A 100 16.189 21.528 0.552 1.00 0.00 N ATOM 1585 CA SER A 100 16.269 22.161 -0.760 1.00 0.00 C ATOM 1586 C SER A 100 17.210 23.362 -0.727 1.00 0.00 C ATOM 1587 O SER A 100 16.944 24.355 -0.050 1.00 0.00 O ATOM 1588 CB SER A 100 14.879 22.602 -1.222 1.00 0.00 C ATOM 1589 OG SER A 100 14.965 23.480 -2.331 1.00 0.00 O ATOM 0 H SER A 100 15.806 22.124 1.286 1.00 0.00 H new ATOM 0 HA SER A 100 16.664 21.430 -1.465 1.00 0.00 H new ATOM 0 HB2 SER A 100 14.287 21.727 -1.492 1.00 0.00 H new ATOM 0 HB3 SER A 100 14.360 23.097 -0.401 1.00 0.00 H new ATOM 0 HG SER A 100 14.063 23.746 -2.608 1.00 0.00 H new ATOM 1595 N SER A 101 18.313 23.262 -1.463 1.00 0.00 N ATOM 1596 CA SER A 101 19.296 24.338 -1.516 1.00 0.00 C ATOM 1597 C SER A 101 19.917 24.575 -0.143 1.00 0.00 C ATOM 1598 O SER A 101 19.222 24.910 0.815 1.00 0.00 O ATOM 1599 CB SER A 101 18.647 25.626 -2.025 1.00 0.00 C ATOM 1600 OG SER A 101 19.583 26.689 -2.058 1.00 0.00 O ATOM 0 H SER A 101 18.548 22.447 -2.030 1.00 0.00 H new ATOM 0 HA SER A 101 20.086 24.041 -2.206 1.00 0.00 H new ATOM 0 HB2 SER A 101 18.242 25.463 -3.024 1.00 0.00 H new ATOM 0 HB3 SER A 101 17.810 25.894 -1.381 1.00 0.00 H new ATOM 0 HG SER A 101 19.145 27.501 -2.388 1.00 0.00 H new ATOM 1606 N GLY A 102 21.231 24.396 -0.056 1.00 0.00 N ATOM 1607 CA GLY A 102 21.925 24.594 1.204 1.00 0.00 C ATOM 1608 C GLY A 102 22.166 26.059 1.508 1.00 0.00 C ATOM 1609 O GLY A 102 21.926 26.923 0.665 1.00 0.00 O ATOM 0 H GLY A 102 21.828 24.117 -0.835 1.00 0.00 H new ATOM 0 HA2 GLY A 102 21.342 24.150 2.010 1.00 0.00 H new ATOM 0 HA3 GLY A 102 22.880 24.070 1.176 1.00 0.00 H new TER 1613 GLY A 102