USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 578 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 26 SER OG : rot 76:sc= 1.09 USER MOD Set 1.2: A 27 HIS : no HE2:sc= 1.1 K(o=2.2,f=-7.7!) USER MOD Single : A 28 MET CE :methyl 164:sc= -0.023 (180deg=-0.309) USER MOD Single : A 30 GLN : amide:sc= 0.349 X(o=0.35,f=-0.0052) USER MOD Single : A 36 LYS NZ :NH3+ -131:sc= 2.45 (180deg=-1.33) USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 1.16 (180deg=1.13) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 161:sc= -0.0634 (180deg=-0.373) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -106:sc= 2.26 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 153:sc= 1.3 (180deg=1.02) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 73 HIS : no HD1:sc= -3.61! C(o=-3.6!,f=-2.3!) USER MOD Single : A 78 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0058) USER MOD Single : A 79 HIS : no HE2:sc= -0.174! C(o=-0.17!,f=-6.6!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 86 ASN : amide:sc= 0.851 K(o=0.85,f=-2.3!) USER MOD Single : A 94 SER OG : rot -15:sc= 0.906 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 -20.936 5.367 2.389 1.00 0.00 N ATOM 2 CA GLY A 25 -20.137 6.317 1.581 1.00 0.00 C ATOM 3 C GLY A 25 -19.512 5.651 0.377 1.00 0.00 C ATOM 4 O GLY A 25 -19.432 4.422 0.316 1.00 0.00 O ATOM 0 HA2 GLY A 25 -20.774 7.137 1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -19.354 6.752 2.202 1.00 0.00 H new ATOM 10 N SER A 26 -19.062 6.453 -0.575 1.00 0.00 N ATOM 11 CA SER A 26 -18.525 5.930 -1.817 1.00 0.00 C ATOM 12 C SER A 26 -17.053 6.291 -1.993 1.00 0.00 C ATOM 13 O SER A 26 -16.663 7.450 -1.833 1.00 0.00 O ATOM 14 CB SER A 26 -19.338 6.464 -2.999 1.00 0.00 C ATOM 15 OG SER A 26 -18.798 6.033 -4.238 1.00 0.00 O ATOM 0 H SER A 26 -19.059 7.471 -0.509 1.00 0.00 H new ATOM 0 HA SER A 26 -18.598 4.843 -1.781 1.00 0.00 H new ATOM 0 HB2 SER A 26 -20.371 6.126 -2.914 1.00 0.00 H new ATOM 0 HB3 SER A 26 -19.355 7.553 -2.968 1.00 0.00 H new ATOM 0 HG SER A 26 -19.031 5.093 -4.387 1.00 0.00 H new ATOM 21 N HIS A 27 -16.251 5.270 -2.306 1.00 0.00 N ATOM 22 CA HIS A 27 -14.845 5.444 -2.696 1.00 0.00 C ATOM 23 C HIS A 27 -14.034 6.247 -1.679 1.00 0.00 C ATOM 24 O HIS A 27 -13.087 6.940 -2.050 1.00 0.00 O ATOM 25 CB HIS A 27 -14.755 6.119 -4.069 1.00 0.00 C ATOM 26 CG HIS A 27 -15.230 5.263 -5.203 1.00 0.00 C ATOM 27 ND1 HIS A 27 -16.560 5.063 -5.496 1.00 0.00 N ATOM 28 CD2 HIS A 27 -14.536 4.559 -6.125 1.00 0.00 C ATOM 29 CE1 HIS A 27 -16.663 4.274 -6.548 1.00 0.00 C ATOM 30 NE2 HIS A 27 -15.448 3.954 -6.952 1.00 0.00 N ATOM 0 H HIS A 27 -16.557 4.297 -2.297 1.00 0.00 H new ATOM 0 HA HIS A 27 -14.412 4.445 -2.737 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.342 7.037 -4.050 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -13.720 6.407 -4.254 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -17.344 5.463 -4.980 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.461 4.486 -6.197 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -17.586 3.945 -7.002 1.00 0.00 H new ATOM 39 N MET A 28 -14.386 6.155 -0.404 1.00 0.00 N ATOM 40 CA MET A 28 -13.633 6.866 0.624 1.00 0.00 C ATOM 41 C MET A 28 -13.205 5.929 1.761 1.00 0.00 C ATOM 42 O MET A 28 -12.010 5.700 1.939 1.00 0.00 O ATOM 43 CB MET A 28 -14.424 8.062 1.170 1.00 0.00 C ATOM 44 CG MET A 28 -13.611 8.957 2.093 1.00 0.00 C ATOM 45 SD MET A 28 -14.589 10.298 2.802 1.00 0.00 S ATOM 46 CE MET A 28 -15.646 9.397 3.935 1.00 0.00 C ATOM 0 H MET A 28 -15.173 5.606 -0.059 1.00 0.00 H new ATOM 0 HA MET A 28 -12.728 7.249 0.152 1.00 0.00 H new ATOM 0 HB2 MET A 28 -14.793 8.656 0.334 1.00 0.00 H new ATOM 0 HB3 MET A 28 -15.297 7.694 1.710 1.00 0.00 H new ATOM 0 HG2 MET A 28 -13.190 8.355 2.898 1.00 0.00 H new ATOM 0 HG3 MET A 28 -12.773 9.378 1.538 1.00 0.00 H new ATOM 0 HE1 MET A 28 -16.098 10.093 4.642 1.00 0.00 H new ATOM 0 HE2 MET A 28 -16.430 8.888 3.374 1.00 0.00 H new ATOM 0 HE3 MET A 28 -15.053 8.661 4.479 1.00 0.00 H new ATOM 56 N PRO A 29 -14.153 5.342 2.535 1.00 0.00 N ATOM 57 CA PRO A 29 -13.801 4.490 3.681 1.00 0.00 C ATOM 58 C PRO A 29 -13.102 3.213 3.238 1.00 0.00 C ATOM 59 O PRO A 29 -12.230 2.686 3.932 1.00 0.00 O ATOM 60 CB PRO A 29 -15.154 4.161 4.334 1.00 0.00 C ATOM 61 CG PRO A 29 -16.128 5.122 3.742 1.00 0.00 C ATOM 62 CD PRO A 29 -15.617 5.432 2.367 1.00 0.00 C ATOM 0 HA PRO A 29 -13.108 4.988 4.359 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -15.447 3.131 4.131 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -15.104 4.271 5.417 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -17.127 4.688 3.699 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -16.199 6.027 4.345 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.984 4.719 1.629 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -15.926 6.423 2.034 1.00 0.00 H new ATOM 70 N GLN A 30 -13.484 2.730 2.065 1.00 0.00 N ATOM 71 CA GLN A 30 -12.907 1.520 1.507 1.00 0.00 C ATOM 72 C GLN A 30 -11.446 1.735 1.137 1.00 0.00 C ATOM 73 O GLN A 30 -10.659 0.794 1.132 1.00 0.00 O ATOM 74 CB GLN A 30 -13.686 1.079 0.264 1.00 0.00 C ATOM 75 CG GLN A 30 -13.678 2.123 -0.845 1.00 0.00 C ATOM 76 CD GLN A 30 -14.389 1.667 -2.103 1.00 0.00 C ATOM 77 OE1 GLN A 30 -15.588 1.873 -2.257 1.00 0.00 O ATOM 78 NE2 GLN A 30 -13.648 1.064 -3.020 1.00 0.00 N ATOM 0 H GLN A 30 -14.197 3.163 1.478 1.00 0.00 H new ATOM 0 HA GLN A 30 -12.968 0.741 2.267 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -13.259 0.151 -0.115 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -14.717 0.864 0.545 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -14.150 3.035 -0.479 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -12.646 2.375 -1.090 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -12.653 0.912 -2.853 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -14.072 0.752 -3.894 1.00 0.00 H new ATOM 87 N ILE A 31 -11.089 2.974 0.824 1.00 0.00 N ATOM 88 CA ILE A 31 -9.721 3.295 0.455 1.00 0.00 C ATOM 89 C ILE A 31 -8.820 3.165 1.665 1.00 0.00 C ATOM 90 O ILE A 31 -7.824 2.445 1.635 1.00 0.00 O ATOM 91 CB ILE A 31 -9.614 4.723 -0.127 1.00 0.00 C ATOM 92 CG1 ILE A 31 -10.397 4.811 -1.438 1.00 0.00 C ATOM 93 CG2 ILE A 31 -8.157 5.116 -0.337 1.00 0.00 C ATOM 94 CD1 ILE A 31 -9.964 3.784 -2.460 1.00 0.00 C ATOM 0 H ILE A 31 -11.727 3.769 0.819 1.00 0.00 H new ATOM 0 HA ILE A 31 -9.405 2.592 -0.316 1.00 0.00 H new ATOM 0 HB ILE A 31 -10.047 5.425 0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -11.459 4.681 -1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -10.275 5.808 -1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.108 6.125 -0.747 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.631 5.086 0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -7.689 4.419 -1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -10.558 3.900 -3.367 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.910 3.928 -2.696 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.112 2.783 -2.055 1.00 0.00 H new ATOM 106 N GLU A 32 -9.226 3.820 2.742 1.00 0.00 N ATOM 107 CA GLU A 32 -8.489 3.788 3.994 1.00 0.00 C ATOM 108 C GLU A 32 -8.337 2.345 4.472 1.00 0.00 C ATOM 109 O GLU A 32 -7.247 1.915 4.861 1.00 0.00 O ATOM 110 CB GLU A 32 -9.228 4.654 5.030 1.00 0.00 C ATOM 111 CG GLU A 32 -8.497 4.856 6.352 1.00 0.00 C ATOM 112 CD GLU A 32 -8.791 3.775 7.372 1.00 0.00 C ATOM 113 OE1 GLU A 32 -9.946 3.692 7.843 1.00 0.00 O ATOM 114 OE2 GLU A 32 -7.865 3.017 7.730 1.00 0.00 O ATOM 0 H GLU A 32 -10.073 4.387 2.772 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.487 4.194 3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.423 5.631 4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.196 4.198 5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.424 4.886 6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.775 5.824 6.769 1.00 0.00 H new ATOM 121 N ARG A 33 -9.426 1.586 4.396 1.00 0.00 N ATOM 122 CA ARG A 33 -9.417 0.209 4.861 1.00 0.00 C ATOM 123 C ARG A 33 -8.555 -0.677 3.960 1.00 0.00 C ATOM 124 O ARG A 33 -7.852 -1.557 4.445 1.00 0.00 O ATOM 125 CB ARG A 33 -10.850 -0.339 4.991 1.00 0.00 C ATOM 126 CG ARG A 33 -11.486 -0.851 3.710 1.00 0.00 C ATOM 127 CD ARG A 33 -12.892 -1.362 3.995 1.00 0.00 C ATOM 128 NE ARG A 33 -13.675 -1.617 2.783 1.00 0.00 N ATOM 129 CZ ARG A 33 -14.829 -2.295 2.782 1.00 0.00 C ATOM 130 NH1 ARG A 33 -15.274 -2.856 3.903 1.00 0.00 N ATOM 131 NH2 ARG A 33 -15.547 -2.411 1.671 1.00 0.00 N ATOM 0 H ARG A 33 -10.320 1.902 4.019 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.967 0.194 5.854 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.843 -1.150 5.719 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.484 0.449 5.398 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.524 -0.053 2.969 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.878 -1.651 3.287 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.826 -2.282 4.576 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.418 -0.633 4.612 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.323 -1.260 1.895 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.736 -2.770 4.765 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.154 -3.372 3.901 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.221 -1.981 0.806 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.425 -2.930 1.683 1.00 0.00 H new ATOM 145 N ARG A 34 -8.582 -0.420 2.658 1.00 0.00 N ATOM 146 CA ARG A 34 -7.838 -1.240 1.709 1.00 0.00 C ATOM 147 C ARG A 34 -6.337 -1.069 1.895 1.00 0.00 C ATOM 148 O ARG A 34 -5.595 -2.046 1.841 1.00 0.00 O ATOM 149 CB ARG A 34 -8.240 -0.910 0.270 1.00 0.00 C ATOM 150 CG ARG A 34 -7.713 -1.899 -0.765 1.00 0.00 C ATOM 151 CD ARG A 34 -6.417 -1.429 -1.414 1.00 0.00 C ATOM 152 NE ARG A 34 -6.088 -2.213 -2.610 1.00 0.00 N ATOM 153 CZ ARG A 34 -5.036 -1.970 -3.398 1.00 0.00 C ATOM 154 NH1 ARG A 34 -4.186 -0.995 -3.092 1.00 0.00 N ATOM 155 NH2 ARG A 34 -4.834 -2.701 -4.492 1.00 0.00 N ATOM 0 H ARG A 34 -9.108 0.345 2.236 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.088 -2.283 1.905 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -9.328 -0.878 0.206 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.877 0.087 0.022 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.547 -2.865 -0.288 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.468 -2.050 -1.536 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.507 -0.377 -1.683 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.602 -1.506 -0.694 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.700 -2.991 -2.855 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.336 -0.431 -2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.384 -0.810 -3.694 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.483 -3.450 -4.732 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.030 -2.512 -5.090 1.00 0.00 H new ATOM 169 N ILE A 35 -5.888 0.168 2.112 1.00 0.00 N ATOM 170 CA ILE A 35 -4.466 0.426 2.312 1.00 0.00 C ATOM 171 C ILE A 35 -3.958 -0.350 3.525 1.00 0.00 C ATOM 172 O ILE A 35 -2.934 -1.031 3.463 1.00 0.00 O ATOM 173 CB ILE A 35 -4.172 1.930 2.530 1.00 0.00 C ATOM 174 CG1 ILE A 35 -4.922 2.795 1.516 1.00 0.00 C ATOM 175 CG2 ILE A 35 -2.677 2.197 2.431 1.00 0.00 C ATOM 176 CD1 ILE A 35 -4.578 2.497 0.078 1.00 0.00 C ATOM 0 H ILE A 35 -6.482 0.996 2.153 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.953 0.101 1.407 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.519 2.195 3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.994 2.656 1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.707 3.844 1.720 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.486 3.259 2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.153 1.619 3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.320 1.905 1.443 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.152 3.153 -0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.513 2.665 -0.084 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.820 1.458 -0.146 1.00 0.00 H new ATOM 188 N LYS A 36 -4.693 -0.253 4.625 1.00 0.00 N ATOM 189 CA LYS A 36 -4.334 -0.954 5.849 1.00 0.00 C ATOM 190 C LYS A 36 -4.465 -2.467 5.695 1.00 0.00 C ATOM 191 O LYS A 36 -3.673 -3.221 6.261 1.00 0.00 O ATOM 192 CB LYS A 36 -5.162 -0.432 7.024 1.00 0.00 C ATOM 193 CG LYS A 36 -4.377 0.516 7.921 1.00 0.00 C ATOM 194 CD LYS A 36 -3.583 1.533 7.111 1.00 0.00 C ATOM 195 CE LYS A 36 -4.168 2.934 7.198 1.00 0.00 C ATOM 196 NZ LYS A 36 -5.511 3.041 6.571 1.00 0.00 N ATOM 0 H LYS A 36 -5.543 0.306 4.694 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.283 -0.752 6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.044 0.083 6.642 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.517 -1.275 7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.064 1.038 8.587 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.697 -0.058 8.550 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.553 1.551 7.466 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.555 1.219 6.068 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.237 3.229 8.245 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.490 3.636 6.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.532 3.862 5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.711 2.176 6.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.231 3.160 7.312 1.00 0.00 H new ATOM 210 N LYS A 37 -5.455 -2.916 4.927 1.00 0.00 N ATOM 211 CA LYS A 37 -5.602 -4.342 4.645 1.00 0.00 C ATOM 212 C LYS A 37 -4.368 -4.885 3.937 1.00 0.00 C ATOM 213 O LYS A 37 -3.929 -6.000 4.214 1.00 0.00 O ATOM 214 CB LYS A 37 -6.849 -4.634 3.806 1.00 0.00 C ATOM 215 CG LYS A 37 -8.145 -4.604 4.601 1.00 0.00 C ATOM 216 CD LYS A 37 -9.292 -5.222 3.817 1.00 0.00 C ATOM 217 CE LYS A 37 -8.998 -6.671 3.466 1.00 0.00 C ATOM 218 NZ LYS A 37 -10.120 -7.311 2.736 1.00 0.00 N ATOM 0 H LYS A 37 -6.160 -2.321 4.493 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.715 -4.844 5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.912 -3.904 2.999 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.741 -5.614 3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.011 -5.144 5.539 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.392 -3.574 4.859 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.209 -5.166 4.403 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.462 -4.651 2.904 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.096 -6.719 2.856 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.795 -7.230 4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.848 -8.276 2.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.957 -7.351 3.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.342 -6.756 1.885 1.00 0.00 H new ATOM 232 N LEU A 38 -3.804 -4.090 3.033 1.00 0.00 N ATOM 233 CA LEU A 38 -2.583 -4.478 2.334 1.00 0.00 C ATOM 234 C LEU A 38 -1.463 -4.712 3.326 1.00 0.00 C ATOM 235 O LEU A 38 -0.726 -5.692 3.235 1.00 0.00 O ATOM 236 CB LEU A 38 -2.148 -3.401 1.344 1.00 0.00 C ATOM 237 CG LEU A 38 -3.186 -2.998 0.306 1.00 0.00 C ATOM 238 CD1 LEU A 38 -2.612 -1.936 -0.608 1.00 0.00 C ATOM 239 CD2 LEU A 38 -3.643 -4.208 -0.493 1.00 0.00 C ATOM 0 H LEU A 38 -4.171 -3.176 2.768 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.795 -5.397 1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.860 -2.513 1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.257 -3.752 0.823 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.056 -2.587 0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.359 -1.651 -1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.333 -1.062 -0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.730 -2.329 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.385 -3.899 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.788 -4.651 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.085 -4.943 0.180 1.00 0.00 H new ATOM 251 N ILE A 39 -1.361 -3.809 4.286 1.00 0.00 N ATOM 252 CA ILE A 39 -0.360 -3.908 5.326 1.00 0.00 C ATOM 253 C ILE A 39 -0.568 -5.176 6.138 1.00 0.00 C ATOM 254 O ILE A 39 0.386 -5.862 6.500 1.00 0.00 O ATOM 255 CB ILE A 39 -0.415 -2.653 6.230 1.00 0.00 C ATOM 256 CG1 ILE A 39 0.771 -1.750 5.934 1.00 0.00 C ATOM 257 CG2 ILE A 39 -0.469 -2.999 7.719 1.00 0.00 C ATOM 258 CD1 ILE A 39 2.096 -2.406 6.187 1.00 0.00 C ATOM 0 H ILE A 39 -1.967 -2.992 4.364 1.00 0.00 H new ATOM 0 HA ILE A 39 0.628 -3.960 4.869 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.342 -2.127 5.999 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.725 -1.431 4.893 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.696 -0.851 6.546 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.506 -2.081 8.305 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.359 -3.595 7.922 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.419 -3.568 7.993 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.899 -1.706 5.955 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.162 -2.700 7.234 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.191 -3.289 5.555 1.00 0.00 H new ATOM 270 N SER A 40 -1.827 -5.490 6.386 1.00 0.00 N ATOM 271 CA SER A 40 -2.177 -6.661 7.168 1.00 0.00 C ATOM 272 C SER A 40 -1.805 -7.925 6.407 1.00 0.00 C ATOM 273 O SER A 40 -1.112 -8.799 6.921 1.00 0.00 O ATOM 274 CB SER A 40 -3.675 -6.653 7.476 1.00 0.00 C ATOM 275 OG SER A 40 -4.028 -7.708 8.351 1.00 0.00 O ATOM 0 H SER A 40 -2.626 -4.948 6.056 1.00 0.00 H new ATOM 0 HA SER A 40 -1.624 -6.640 8.107 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.951 -5.699 7.925 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.239 -6.744 6.548 1.00 0.00 H new ATOM 0 HG SER A 40 -4.991 -7.676 8.531 1.00 0.00 H new ATOM 281 N LEU A 41 -2.223 -7.978 5.156 1.00 0.00 N ATOM 282 CA LEU A 41 -2.031 -9.152 4.331 1.00 0.00 C ATOM 283 C LEU A 41 -0.564 -9.351 4.003 1.00 0.00 C ATOM 284 O LEU A 41 -0.066 -10.464 4.076 1.00 0.00 O ATOM 285 CB LEU A 41 -2.851 -9.040 3.042 1.00 0.00 C ATOM 286 CG LEU A 41 -4.361 -8.898 3.238 1.00 0.00 C ATOM 287 CD1 LEU A 41 -5.066 -8.773 1.897 1.00 0.00 C ATOM 288 CD2 LEU A 41 -4.915 -10.073 4.028 1.00 0.00 C ATOM 0 H LEU A 41 -2.703 -7.211 4.686 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.376 -10.020 4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.492 -8.180 2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.662 -9.924 2.433 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.546 -7.988 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.139 -8.673 2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.694 -7.893 1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.870 -9.663 1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.991 -9.951 4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.716 -11.000 3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.436 -10.112 5.006 1.00 0.00 H new ATOM 300 N GLY A 42 0.134 -8.265 3.687 1.00 0.00 N ATOM 301 CA GLY A 42 1.523 -8.369 3.296 1.00 0.00 C ATOM 302 C GLY A 42 2.378 -8.780 4.463 1.00 0.00 C ATOM 303 O GLY A 42 3.294 -9.588 4.323 1.00 0.00 O ATOM 0 H GLY A 42 -0.240 -7.316 3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.625 -9.097 2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.868 -7.411 2.906 1.00 0.00 H new ATOM 307 N LYS A 43 2.047 -8.246 5.629 1.00 0.00 N ATOM 308 CA LYS A 43 2.749 -8.598 6.844 1.00 0.00 C ATOM 309 C LYS A 43 2.533 -10.080 7.141 1.00 0.00 C ATOM 310 O LYS A 43 3.466 -10.809 7.474 1.00 0.00 O ATOM 311 CB LYS A 43 2.259 -7.741 8.014 1.00 0.00 C ATOM 312 CG LYS A 43 2.899 -8.108 9.339 1.00 0.00 C ATOM 313 CD LYS A 43 4.401 -7.892 9.312 1.00 0.00 C ATOM 314 CE LYS A 43 5.079 -8.662 10.425 1.00 0.00 C ATOM 315 NZ LYS A 43 6.541 -8.392 10.476 1.00 0.00 N ATOM 0 H LYS A 43 1.296 -7.568 5.755 1.00 0.00 H new ATOM 0 HA LYS A 43 3.814 -8.410 6.710 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.464 -6.693 7.798 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.177 -7.842 8.101 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.459 -7.508 10.135 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.685 -9.151 9.571 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.801 -8.210 8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.621 -6.829 9.413 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.627 -8.394 11.380 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.912 -9.730 10.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.968 -8.938 11.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.977 -8.672 9.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.701 -7.377 10.638 1.00 0.00 H new ATOM 329 N LYS A 44 1.280 -10.502 7.006 1.00 0.00 N ATOM 330 CA LYS A 44 0.902 -11.911 7.120 1.00 0.00 C ATOM 331 C LYS A 44 1.655 -12.747 6.102 1.00 0.00 C ATOM 332 O LYS A 44 2.056 -13.876 6.372 1.00 0.00 O ATOM 333 CB LYS A 44 -0.595 -12.082 6.858 1.00 0.00 C ATOM 334 CG LYS A 44 -1.434 -12.426 8.082 1.00 0.00 C ATOM 335 CD LYS A 44 -1.994 -11.191 8.777 1.00 0.00 C ATOM 336 CE LYS A 44 -0.897 -10.321 9.365 1.00 0.00 C ATOM 337 NZ LYS A 44 -1.259 -9.800 10.710 1.00 0.00 N ATOM 0 H LYS A 44 0.496 -9.879 6.814 1.00 0.00 H new ATOM 0 HA LYS A 44 1.148 -12.240 8.130 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.979 -11.159 6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.730 -12.866 6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.258 -13.074 7.782 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.825 -12.990 8.788 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.577 -10.607 8.064 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.676 -11.499 9.570 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.025 -10.899 9.436 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.698 -9.485 8.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.483 -9.211 11.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.124 -9.227 10.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.423 -10.597 11.358 1.00 0.00 H new ATOM 351 N LYS A 45 1.818 -12.175 4.922 1.00 0.00 N ATOM 352 CA LYS A 45 2.480 -12.843 3.813 1.00 0.00 C ATOM 353 C LYS A 45 3.969 -13.009 4.078 1.00 0.00 C ATOM 354 O LYS A 45 4.621 -13.864 3.481 1.00 0.00 O ATOM 355 CB LYS A 45 2.265 -12.060 2.516 1.00 0.00 C ATOM 356 CG LYS A 45 0.850 -12.137 1.945 1.00 0.00 C ATOM 357 CD LYS A 45 0.511 -13.518 1.391 1.00 0.00 C ATOM 358 CE LYS A 45 0.170 -14.517 2.487 1.00 0.00 C ATOM 359 NZ LYS A 45 -1.057 -14.133 3.236 1.00 0.00 N ATOM 0 H LYS A 45 1.495 -11.232 4.704 1.00 0.00 H new ATOM 0 HA LYS A 45 2.039 -13.835 3.710 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.512 -11.014 2.695 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.964 -12.429 1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.134 -11.877 2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.742 -11.396 1.153 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.332 -13.434 0.705 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.356 -13.892 0.813 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.030 -15.504 2.046 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.008 -14.593 3.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.434 -14.964 3.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.824 -13.391 3.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.772 -13.775 2.571 1.00 0.00 H new ATOM 373 N GLY A 46 4.509 -12.186 4.965 1.00 0.00 N ATOM 374 CA GLY A 46 5.903 -12.323 5.324 1.00 0.00 C ATOM 375 C GLY A 46 6.579 -11.005 5.633 1.00 0.00 C ATOM 376 O GLY A 46 7.116 -10.822 6.726 1.00 0.00 O ATOM 0 H GLY A 46 4.011 -11.432 5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.984 -12.976 6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.434 -12.812 4.507 1.00 0.00 H new ATOM 380 N TYR A 47 6.559 -10.083 4.681 1.00 0.00 N ATOM 381 CA TYR A 47 7.270 -8.827 4.833 1.00 0.00 C ATOM 382 C TYR A 47 6.390 -7.664 4.417 1.00 0.00 C ATOM 383 O TYR A 47 5.376 -7.843 3.754 1.00 0.00 O ATOM 384 CB TYR A 47 8.549 -8.823 3.986 1.00 0.00 C ATOM 385 CG TYR A 47 9.566 -9.866 4.385 1.00 0.00 C ATOM 386 CD1 TYR A 47 10.439 -9.641 5.439 1.00 0.00 C ATOM 387 CD2 TYR A 47 9.658 -11.072 3.704 1.00 0.00 C ATOM 388 CE1 TYR A 47 11.375 -10.588 5.805 1.00 0.00 C ATOM 389 CE2 TYR A 47 10.590 -12.024 4.063 1.00 0.00 C ATOM 390 CZ TYR A 47 11.445 -11.777 5.114 1.00 0.00 C ATOM 391 OH TYR A 47 12.377 -12.722 5.475 1.00 0.00 O ATOM 0 H TYR A 47 6.059 -10.183 3.798 1.00 0.00 H new ATOM 0 HA TYR A 47 7.537 -8.719 5.884 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.279 -8.978 2.941 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.011 -7.838 4.053 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.386 -8.709 5.983 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.989 -11.268 2.879 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.048 -10.397 6.628 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.649 -12.957 3.523 1.00 0.00 H new ATOM 0 HH TYR A 47 12.294 -13.503 4.889 1.00 0.00 H new ATOM 401 N ILE A 48 6.774 -6.472 4.816 1.00 0.00 N ATOM 402 CA ILE A 48 6.084 -5.282 4.371 1.00 0.00 C ATOM 403 C ILE A 48 6.826 -4.675 3.189 1.00 0.00 C ATOM 404 O ILE A 48 7.655 -3.788 3.341 1.00 0.00 O ATOM 405 CB ILE A 48 5.889 -4.250 5.517 1.00 0.00 C ATOM 406 CG1 ILE A 48 6.982 -4.357 6.594 1.00 0.00 C ATOM 407 CG2 ILE A 48 4.536 -4.475 6.157 1.00 0.00 C ATOM 408 CD1 ILE A 48 8.381 -4.148 6.088 1.00 0.00 C ATOM 0 H ILE A 48 7.558 -6.301 5.446 1.00 0.00 H new ATOM 0 HA ILE A 48 5.082 -5.568 4.051 1.00 0.00 H new ATOM 0 HB ILE A 48 5.954 -3.253 5.081 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.778 -3.623 7.374 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.921 -5.341 7.059 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.390 -3.755 6.962 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.754 -4.346 5.409 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.488 -5.486 6.561 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.085 -4.241 6.915 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.610 -4.898 5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 48 8.465 -3.153 5.651 1.00 0.00 H new ATOM 420 N THR A 49 6.519 -5.164 2.002 1.00 0.00 N ATOM 421 CA THR A 49 7.211 -4.741 0.806 1.00 0.00 C ATOM 422 C THR A 49 6.223 -4.580 -0.321 1.00 0.00 C ATOM 423 O THR A 49 5.129 -5.139 -0.262 1.00 0.00 O ATOM 424 CB THR A 49 8.300 -5.736 0.346 1.00 0.00 C ATOM 425 OG1 THR A 49 7.695 -6.920 -0.181 1.00 0.00 O ATOM 426 CG2 THR A 49 9.224 -6.112 1.484 1.00 0.00 C ATOM 0 H THR A 49 5.789 -5.859 1.843 1.00 0.00 H new ATOM 0 HA THR A 49 7.699 -3.798 1.053 1.00 0.00 H new ATOM 0 HB THR A 49 8.888 -5.244 -0.429 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.796 -7.653 0.462 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.977 -6.813 1.125 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.714 -5.216 1.866 1.00 0.00 H new ATOM 0 HG23 THR A 49 8.647 -6.578 2.283 1.00 0.00 H new ATOM 434 N TYR A 50 6.595 -3.828 -1.338 1.00 0.00 N ATOM 435 CA TYR A 50 5.740 -3.669 -2.496 1.00 0.00 C ATOM 436 C TYR A 50 5.434 -5.032 -3.110 1.00 0.00 C ATOM 437 O TYR A 50 4.312 -5.295 -3.548 1.00 0.00 O ATOM 438 CB TYR A 50 6.388 -2.743 -3.531 1.00 0.00 C ATOM 439 CG TYR A 50 5.469 -2.374 -4.677 1.00 0.00 C ATOM 440 CD1 TYR A 50 4.528 -1.361 -4.535 1.00 0.00 C ATOM 441 CD2 TYR A 50 5.543 -3.033 -5.898 1.00 0.00 C ATOM 442 CE1 TYR A 50 3.685 -1.018 -5.575 1.00 0.00 C ATOM 443 CE2 TYR A 50 4.703 -2.695 -6.943 1.00 0.00 C ATOM 444 CZ TYR A 50 3.777 -1.686 -6.777 1.00 0.00 C ATOM 445 OH TYR A 50 2.937 -1.348 -7.814 1.00 0.00 O ATOM 0 H TYR A 50 7.478 -3.320 -1.386 1.00 0.00 H new ATOM 0 HA TYR A 50 4.805 -3.210 -2.176 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.718 -1.831 -3.033 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.278 -3.227 -3.932 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.454 -0.833 -3.596 1.00 0.00 H new ATOM 0 HD2 TYR A 50 6.268 -3.822 -6.033 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.958 -0.230 -5.446 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.772 -3.219 -7.885 1.00 0.00 H new ATOM 0 HH TYR A 50 3.132 -1.913 -8.591 1.00 0.00 H new ATOM 455 N GLU A 51 6.438 -5.901 -3.105 1.00 0.00 N ATOM 456 CA GLU A 51 6.282 -7.249 -3.617 1.00 0.00 C ATOM 457 C GLU A 51 5.315 -8.038 -2.748 1.00 0.00 C ATOM 458 O GLU A 51 4.414 -8.698 -3.258 1.00 0.00 O ATOM 459 CB GLU A 51 7.631 -7.964 -3.654 1.00 0.00 C ATOM 460 CG GLU A 51 8.691 -7.233 -4.456 1.00 0.00 C ATOM 461 CD GLU A 51 10.024 -7.951 -4.424 1.00 0.00 C ATOM 462 OE1 GLU A 51 10.744 -7.821 -3.414 1.00 0.00 O ATOM 463 OE2 GLU A 51 10.353 -8.659 -5.395 1.00 0.00 O ATOM 0 H GLU A 51 7.371 -5.691 -2.750 1.00 0.00 H new ATOM 0 HA GLU A 51 5.883 -7.184 -4.629 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.989 -8.097 -2.633 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.492 -8.960 -4.076 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.358 -7.132 -5.489 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.813 -6.225 -4.061 1.00 0.00 H new ATOM 470 N ASP A 52 5.492 -7.947 -1.433 1.00 0.00 N ATOM 471 CA ASP A 52 4.657 -8.688 -0.494 1.00 0.00 C ATOM 472 C ASP A 52 3.212 -8.205 -0.510 1.00 0.00 C ATOM 473 O ASP A 52 2.289 -8.981 -0.278 1.00 0.00 O ATOM 474 CB ASP A 52 5.231 -8.642 0.916 1.00 0.00 C ATOM 475 CG ASP A 52 6.364 -9.636 1.102 1.00 0.00 C ATOM 476 OD1 ASP A 52 6.083 -10.829 1.359 1.00 0.00 O ATOM 477 OD2 ASP A 52 7.539 -9.237 0.972 1.00 0.00 O ATOM 0 H ASP A 52 6.207 -7.367 -0.994 1.00 0.00 H new ATOM 0 HA ASP A 52 4.656 -9.727 -0.824 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.593 -7.636 1.127 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.441 -8.854 1.636 1.00 0.00 H new ATOM 482 N ILE A 53 3.018 -6.929 -0.779 1.00 0.00 N ATOM 483 CA ILE A 53 1.683 -6.387 -0.989 1.00 0.00 C ATOM 484 C ILE A 53 1.056 -7.014 -2.228 1.00 0.00 C ATOM 485 O ILE A 53 -0.083 -7.475 -2.205 1.00 0.00 O ATOM 486 CB ILE A 53 1.741 -4.876 -1.220 1.00 0.00 C ATOM 487 CG1 ILE A 53 2.362 -4.143 -0.019 1.00 0.00 C ATOM 488 CG2 ILE A 53 0.357 -4.318 -1.533 1.00 0.00 C ATOM 489 CD1 ILE A 53 1.616 -4.333 1.294 1.00 0.00 C ATOM 0 H ILE A 53 3.769 -6.243 -0.858 1.00 0.00 H new ATOM 0 HA ILE A 53 1.094 -6.608 -0.099 1.00 0.00 H new ATOM 0 HB ILE A 53 2.384 -4.704 -2.083 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.389 -4.487 0.108 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.408 -3.078 -0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.426 -3.242 -1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.032 -4.794 -2.433 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.314 -4.518 -0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.125 -3.781 2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.596 -3.962 1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.592 -5.393 1.549 1.00 0.00 H new ATOM 501 N ASP A 54 1.822 -7.021 -3.312 1.00 0.00 N ATOM 502 CA ASP A 54 1.360 -7.566 -4.583 1.00 0.00 C ATOM 503 C ASP A 54 1.047 -9.048 -4.447 1.00 0.00 C ATOM 504 O ASP A 54 0.087 -9.553 -5.034 1.00 0.00 O ATOM 505 CB ASP A 54 2.411 -7.342 -5.673 1.00 0.00 C ATOM 506 CG ASP A 54 2.026 -7.989 -6.989 1.00 0.00 C ATOM 507 OD1 ASP A 54 1.227 -7.391 -7.742 1.00 0.00 O ATOM 508 OD2 ASP A 54 2.517 -9.096 -7.276 1.00 0.00 O ATOM 0 H ASP A 54 2.773 -6.653 -3.336 1.00 0.00 H new ATOM 0 HA ASP A 54 0.446 -7.045 -4.868 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.551 -6.272 -5.825 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.368 -7.744 -5.340 1.00 0.00 H new ATOM 513 N LYS A 55 1.851 -9.741 -3.657 1.00 0.00 N ATOM 514 CA LYS A 55 1.619 -11.170 -3.428 1.00 0.00 C ATOM 515 C LYS A 55 0.475 -11.380 -2.440 1.00 0.00 C ATOM 516 O LYS A 55 -0.060 -12.482 -2.320 1.00 0.00 O ATOM 517 CB LYS A 55 2.894 -11.922 -2.997 1.00 0.00 C ATOM 518 CG LYS A 55 3.689 -11.245 -1.902 1.00 0.00 C ATOM 519 CD LYS A 55 3.552 -11.931 -0.551 1.00 0.00 C ATOM 520 CE LYS A 55 4.386 -13.199 -0.467 1.00 0.00 C ATOM 521 NZ LYS A 55 5.840 -12.895 -0.423 1.00 0.00 N ATOM 0 H LYS A 55 2.658 -9.352 -3.168 1.00 0.00 H new ATOM 0 HA LYS A 55 1.327 -11.604 -4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.614 -12.920 -2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.537 -12.049 -3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.741 -11.223 -2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.362 -10.209 -1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.858 -11.243 0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.504 -12.174 -0.373 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.104 -13.762 0.423 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.172 -13.834 -1.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.340 -13.660 0.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.207 -12.814 -1.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.992 -11.998 0.081 1.00 0.00 H new ATOM 535 N ALA A 56 0.107 -10.318 -1.732 1.00 0.00 N ATOM 536 CA ALA A 56 -1.015 -10.362 -0.803 1.00 0.00 C ATOM 537 C ALA A 56 -2.345 -10.312 -1.552 1.00 0.00 C ATOM 538 O ALA A 56 -3.391 -10.659 -1.000 1.00 0.00 O ATOM 539 CB ALA A 56 -0.921 -9.217 0.189 1.00 0.00 C ATOM 0 H ALA A 56 0.572 -9.412 -1.785 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.970 -11.304 -0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.765 -9.262 0.877 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.010 -9.298 0.751 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.940 -8.268 -0.347 1.00 0.00 H new ATOM 545 N PHE A 57 -2.301 -9.856 -2.802 1.00 0.00 N ATOM 546 CA PHE A 57 -3.486 -9.829 -3.656 1.00 0.00 C ATOM 547 C PHE A 57 -3.923 -11.255 -4.008 1.00 0.00 C ATOM 548 O PHE A 57 -3.157 -12.200 -3.827 1.00 0.00 O ATOM 549 CB PHE A 57 -3.205 -9.038 -4.940 1.00 0.00 C ATOM 550 CG PHE A 57 -2.867 -7.591 -4.713 1.00 0.00 C ATOM 551 CD1 PHE A 57 -3.563 -6.839 -3.782 1.00 0.00 C ATOM 552 CD2 PHE A 57 -1.851 -6.983 -5.434 1.00 0.00 C ATOM 553 CE1 PHE A 57 -3.254 -5.510 -3.577 1.00 0.00 C ATOM 554 CE2 PHE A 57 -1.539 -5.653 -5.232 1.00 0.00 C ATOM 555 CZ PHE A 57 -2.240 -4.916 -4.302 1.00 0.00 C ATOM 0 H PHE A 57 -1.455 -9.499 -3.247 1.00 0.00 H new ATOM 0 HA PHE A 57 -4.290 -9.337 -3.109 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.381 -9.513 -5.472 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -4.079 -9.098 -5.588 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.356 -7.297 -3.210 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.297 -7.556 -6.162 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.806 -4.934 -2.849 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.747 -5.191 -5.802 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.997 -3.876 -4.141 1.00 0.00 H new ATOM 565 N PRO A 58 -5.151 -11.442 -4.526 1.00 0.00 N ATOM 566 CA PRO A 58 -6.110 -10.361 -4.765 1.00 0.00 C ATOM 567 C PRO A 58 -6.892 -9.979 -3.509 1.00 0.00 C ATOM 568 O PRO A 58 -7.017 -10.772 -2.576 1.00 0.00 O ATOM 569 CB PRO A 58 -7.039 -10.964 -5.815 1.00 0.00 C ATOM 570 CG PRO A 58 -7.037 -12.426 -5.535 1.00 0.00 C ATOM 571 CD PRO A 58 -5.692 -12.751 -4.937 1.00 0.00 C ATOM 0 HA PRO A 58 -5.623 -9.437 -5.076 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.044 -10.549 -5.739 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.683 -10.755 -6.824 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.840 -12.689 -4.847 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.202 -12.995 -6.450 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.787 -13.427 -4.087 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.042 -13.240 -5.662 1.00 0.00 H new ATOM 579 N PRO A 59 -7.422 -8.748 -3.474 1.00 0.00 N ATOM 580 CA PRO A 59 -8.176 -8.217 -2.367 1.00 0.00 C ATOM 581 C PRO A 59 -9.668 -8.190 -2.674 1.00 0.00 C ATOM 582 O PRO A 59 -10.118 -8.693 -3.705 1.00 0.00 O ATOM 583 CB PRO A 59 -7.624 -6.786 -2.291 1.00 0.00 C ATOM 584 CG PRO A 59 -7.121 -6.482 -3.680 1.00 0.00 C ATOM 585 CD PRO A 59 -7.345 -7.727 -4.506 1.00 0.00 C ATOM 0 HA PRO A 59 -8.080 -8.797 -1.449 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.398 -6.081 -1.990 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.822 -6.712 -1.557 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -7.655 -5.633 -4.107 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.064 -6.217 -3.659 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.260 -7.669 -5.095 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.528 -7.909 -5.204 1.00 0.00 H new ATOM 593 N ASP A 60 -10.422 -7.608 -1.771 1.00 0.00 N ATOM 594 CA ASP A 60 -11.855 -7.466 -1.936 1.00 0.00 C ATOM 595 C ASP A 60 -12.204 -6.074 -2.446 1.00 0.00 C ATOM 596 O ASP A 60 -13.355 -5.641 -2.363 1.00 0.00 O ATOM 597 CB ASP A 60 -12.576 -7.758 -0.623 1.00 0.00 C ATOM 598 CG ASP A 60 -12.336 -6.696 0.438 1.00 0.00 C ATOM 599 OD1 ASP A 60 -11.177 -6.259 0.605 1.00 0.00 O ATOM 600 OD2 ASP A 60 -13.306 -6.321 1.135 1.00 0.00 O ATOM 0 H ASP A 60 -10.062 -7.218 -0.900 1.00 0.00 H new ATOM 0 HA ASP A 60 -12.188 -8.191 -2.678 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.646 -7.838 -0.813 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.247 -8.725 -0.242 1.00 0.00 H new ATOM 605 N PHE A 61 -11.194 -5.383 -2.965 1.00 0.00 N ATOM 606 CA PHE A 61 -11.302 -3.969 -3.297 1.00 0.00 C ATOM 607 C PHE A 61 -12.404 -3.732 -4.321 1.00 0.00 C ATOM 608 O PHE A 61 -12.408 -4.312 -5.405 1.00 0.00 O ATOM 609 CB PHE A 61 -9.962 -3.462 -3.831 1.00 0.00 C ATOM 610 CG PHE A 61 -9.784 -1.980 -3.705 1.00 0.00 C ATOM 611 CD1 PHE A 61 -10.532 -1.253 -2.794 1.00 0.00 C ATOM 612 CD2 PHE A 61 -8.860 -1.320 -4.491 1.00 0.00 C ATOM 613 CE1 PHE A 61 -10.359 0.108 -2.670 1.00 0.00 C ATOM 614 CE2 PHE A 61 -8.682 0.041 -4.370 1.00 0.00 C ATOM 615 CZ PHE A 61 -9.433 0.755 -3.460 1.00 0.00 C ATOM 0 H PHE A 61 -10.280 -5.788 -3.167 1.00 0.00 H new ATOM 0 HA PHE A 61 -11.561 -3.418 -2.393 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -9.155 -3.962 -3.296 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.870 -3.742 -4.880 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -11.258 -1.758 -2.175 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.272 -1.875 -5.207 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -10.947 0.666 -1.956 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.955 0.548 -4.987 1.00 0.00 H new ATOM 0 HZ PHE A 61 -9.295 1.822 -3.366 1.00 0.00 H new ATOM 625 N GLU A 62 -13.328 -2.863 -3.948 1.00 0.00 N ATOM 626 CA GLU A 62 -14.563 -2.656 -4.688 1.00 0.00 C ATOM 627 C GLU A 62 -14.363 -1.777 -5.915 1.00 0.00 C ATOM 628 O GLU A 62 -15.241 -1.691 -6.770 1.00 0.00 O ATOM 629 CB GLU A 62 -15.594 -2.034 -3.753 1.00 0.00 C ATOM 630 CG GLU A 62 -15.797 -2.839 -2.482 1.00 0.00 C ATOM 631 CD GLU A 62 -16.519 -2.063 -1.408 1.00 0.00 C ATOM 632 OE1 GLU A 62 -15.865 -1.254 -0.718 1.00 0.00 O ATOM 633 OE2 GLU A 62 -17.737 -2.268 -1.235 1.00 0.00 O ATOM 0 H GLU A 62 -13.243 -2.277 -3.118 1.00 0.00 H new ATOM 0 HA GLU A 62 -14.912 -3.623 -5.051 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.278 -1.024 -3.491 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.546 -1.945 -4.277 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.363 -3.741 -2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.827 -3.160 -2.102 1.00 0.00 H new ATOM 640 N GLY A 63 -13.220 -1.111 -5.997 1.00 0.00 N ATOM 641 CA GLY A 63 -12.944 -0.281 -7.140 1.00 0.00 C ATOM 642 C GLY A 63 -11.489 0.073 -7.192 1.00 0.00 C ATOM 643 O GLY A 63 -10.946 0.591 -6.224 1.00 0.00 O ATOM 0 H GLY A 63 -12.484 -1.134 -5.292 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -13.230 -0.803 -8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.544 0.628 -7.090 1.00 0.00 H new ATOM 647 N PHE A 64 -10.855 -0.208 -8.308 1.00 0.00 N ATOM 648 CA PHE A 64 -9.439 0.048 -8.441 1.00 0.00 C ATOM 649 C PHE A 64 -9.210 1.270 -9.335 1.00 0.00 C ATOM 650 O PHE A 64 -9.773 1.355 -10.427 1.00 0.00 O ATOM 651 CB PHE A 64 -8.728 -1.181 -9.019 1.00 0.00 C ATOM 652 CG PHE A 64 -7.231 -1.049 -9.067 1.00 0.00 C ATOM 653 CD1 PHE A 64 -6.463 -1.333 -7.950 1.00 0.00 C ATOM 654 CD2 PHE A 64 -6.594 -0.645 -10.229 1.00 0.00 C ATOM 655 CE1 PHE A 64 -5.087 -1.218 -7.992 1.00 0.00 C ATOM 656 CE2 PHE A 64 -5.217 -0.527 -10.277 1.00 0.00 C ATOM 657 CZ PHE A 64 -4.464 -0.814 -9.156 1.00 0.00 C ATOM 0 H PHE A 64 -11.296 -0.613 -9.134 1.00 0.00 H new ATOM 0 HA PHE A 64 -9.023 0.253 -7.455 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -8.987 -2.054 -8.420 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -9.100 -1.364 -10.027 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.945 -1.648 -7.036 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -7.180 -0.420 -11.108 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.499 -1.444 -7.115 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.732 -0.211 -11.189 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.388 -0.723 -9.190 1.00 0.00 H new ATOM 667 N ASP A 65 -8.387 2.208 -8.880 1.00 0.00 N ATOM 668 CA ASP A 65 -8.165 3.452 -9.615 1.00 0.00 C ATOM 669 C ASP A 65 -6.746 3.961 -9.373 1.00 0.00 C ATOM 670 O ASP A 65 -6.132 3.633 -8.360 1.00 0.00 O ATOM 671 CB ASP A 65 -9.187 4.504 -9.163 1.00 0.00 C ATOM 672 CG ASP A 65 -9.247 5.720 -10.072 1.00 0.00 C ATOM 673 OD1 ASP A 65 -8.326 6.560 -10.019 1.00 0.00 O ATOM 674 OD2 ASP A 65 -10.229 5.849 -10.833 1.00 0.00 O ATOM 0 H ASP A 65 -7.863 2.133 -8.008 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.290 3.265 -10.682 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.174 4.044 -9.119 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.940 4.828 -8.152 1.00 0.00 H new ATOM 679 N THR A 66 -6.224 4.742 -10.314 1.00 0.00 N ATOM 680 CA THR A 66 -4.908 5.359 -10.174 1.00 0.00 C ATOM 681 C THR A 66 -4.886 6.347 -8.999 1.00 0.00 C ATOM 682 O THR A 66 -3.837 6.609 -8.403 1.00 0.00 O ATOM 683 CB THR A 66 -4.477 6.068 -11.480 1.00 0.00 C ATOM 684 OG1 THR A 66 -3.112 6.500 -11.387 1.00 0.00 O ATOM 685 CG2 THR A 66 -5.371 7.261 -11.788 1.00 0.00 C ATOM 0 H THR A 66 -6.697 4.964 -11.190 1.00 0.00 H new ATOM 0 HA THR A 66 -4.194 4.562 -9.969 1.00 0.00 H new ATOM 0 HB THR A 66 -4.575 5.348 -12.292 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.852 6.945 -12.220 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.040 7.735 -12.712 1.00 0.00 H new ATOM 0 HG22 THR A 66 -6.401 6.924 -11.903 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.313 7.980 -10.970 1.00 0.00 H new ATOM 693 N ASN A 67 -6.056 6.889 -8.665 1.00 0.00 N ATOM 694 CA ASN A 67 -6.192 7.796 -7.529 1.00 0.00 C ATOM 695 C ASN A 67 -5.792 7.081 -6.245 1.00 0.00 C ATOM 696 O ASN A 67 -5.239 7.683 -5.330 1.00 0.00 O ATOM 697 CB ASN A 67 -7.628 8.323 -7.431 1.00 0.00 C ATOM 698 CG ASN A 67 -7.840 9.240 -6.238 1.00 0.00 C ATOM 699 OD1 ASN A 67 -8.282 8.802 -5.178 1.00 0.00 O ATOM 700 ND2 ASN A 67 -7.519 10.515 -6.400 1.00 0.00 N ATOM 0 H ASN A 67 -6.926 6.714 -9.168 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.529 8.648 -7.676 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.875 8.862 -8.346 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.315 7.480 -7.362 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.636 11.172 -5.629 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.155 10.839 -7.296 1.00 0.00 H new ATOM 707 N LEU A 68 -6.069 5.785 -6.202 1.00 0.00 N ATOM 708 CA LEU A 68 -5.639 4.926 -5.113 1.00 0.00 C ATOM 709 C LEU A 68 -4.131 5.021 -4.902 1.00 0.00 C ATOM 710 O LEU A 68 -3.666 5.003 -3.773 1.00 0.00 O ATOM 711 CB LEU A 68 -6.027 3.482 -5.416 1.00 0.00 C ATOM 712 CG LEU A 68 -5.413 2.430 -4.499 1.00 0.00 C ATOM 713 CD1 LEU A 68 -6.023 2.510 -3.110 1.00 0.00 C ATOM 714 CD2 LEU A 68 -5.595 1.049 -5.099 1.00 0.00 C ATOM 0 H LEU A 68 -6.600 5.300 -6.925 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.133 5.256 -4.199 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.112 3.397 -5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.740 3.255 -6.443 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.345 2.624 -4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.572 1.751 -2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.838 3.498 -2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.098 2.338 -3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.153 0.304 -4.437 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.658 0.842 -5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.104 1.007 -6.071 1.00 0.00 H new ATOM 726 N ILE A 69 -3.372 5.118 -5.991 1.00 0.00 N ATOM 727 CA ILE A 69 -1.921 5.229 -5.902 1.00 0.00 C ATOM 728 C ILE A 69 -1.536 6.506 -5.155 1.00 0.00 C ATOM 729 O ILE A 69 -0.601 6.518 -4.348 1.00 0.00 O ATOM 730 CB ILE A 69 -1.276 5.223 -7.307 1.00 0.00 C ATOM 731 CG1 ILE A 69 -1.665 3.951 -8.069 1.00 0.00 C ATOM 732 CG2 ILE A 69 0.239 5.346 -7.213 1.00 0.00 C ATOM 733 CD1 ILE A 69 -1.286 2.670 -7.357 1.00 0.00 C ATOM 0 H ILE A 69 -3.738 5.122 -6.943 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.548 4.365 -5.352 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.651 6.087 -7.856 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.742 3.956 -8.239 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.188 3.966 -9.049 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.667 5.339 -8.215 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.498 6.280 -6.714 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.637 4.507 -6.642 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.594 1.815 -7.958 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.206 2.641 -7.211 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.785 2.631 -6.388 1.00 0.00 H new ATOM 745 N GLU A 70 -2.294 7.569 -5.406 1.00 0.00 N ATOM 746 CA GLU A 70 -2.125 8.825 -4.683 1.00 0.00 C ATOM 747 C GLU A 70 -2.505 8.598 -3.236 1.00 0.00 C ATOM 748 O GLU A 70 -1.801 8.990 -2.306 1.00 0.00 O ATOM 749 CB GLU A 70 -3.039 9.902 -5.267 1.00 0.00 C ATOM 750 CG GLU A 70 -2.958 10.005 -6.772 1.00 0.00 C ATOM 751 CD GLU A 70 -1.881 10.966 -7.236 1.00 0.00 C ATOM 752 OE1 GLU A 70 -0.836 11.065 -6.565 1.00 0.00 O ATOM 753 OE2 GLU A 70 -2.072 11.625 -8.282 1.00 0.00 O ATOM 0 H GLU A 70 -3.034 7.585 -6.108 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.089 9.154 -4.767 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.069 9.689 -4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.778 10.866 -4.830 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.762 9.017 -7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.922 10.331 -7.162 1.00 0.00 H new ATOM 760 N ARG A 71 -3.622 7.914 -3.087 1.00 0.00 N ATOM 761 CA ARG A 71 -4.203 7.625 -1.795 1.00 0.00 C ATOM 762 C ARG A 71 -3.250 6.811 -0.926 1.00 0.00 C ATOM 763 O ARG A 71 -3.159 7.033 0.281 1.00 0.00 O ATOM 764 CB ARG A 71 -5.527 6.874 -1.972 1.00 0.00 C ATOM 765 CG ARG A 71 -6.640 7.714 -2.577 1.00 0.00 C ATOM 766 CD ARG A 71 -6.938 8.955 -1.755 1.00 0.00 C ATOM 767 NE ARG A 71 -8.100 9.672 -2.280 1.00 0.00 N ATOM 768 CZ ARG A 71 -8.245 10.996 -2.253 1.00 0.00 C ATOM 769 NH1 ARG A 71 -7.295 11.769 -1.742 1.00 0.00 N ATOM 770 NH2 ARG A 71 -9.354 11.543 -2.737 1.00 0.00 N ATOM 0 H ARG A 71 -4.157 7.540 -3.871 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.390 8.573 -1.290 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.357 6.004 -2.606 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.854 6.502 -1.001 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.360 8.009 -3.588 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.544 7.110 -2.660 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.120 8.672 -0.718 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.069 9.613 -1.758 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.851 9.120 -2.695 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.445 11.350 -1.365 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.415 12.782 -1.726 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.087 10.950 -3.126 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.473 12.556 -2.720 1.00 0.00 H new ATOM 784 N ILE A 72 -2.535 5.876 -1.548 1.00 0.00 N ATOM 785 CA ILE A 72 -1.604 5.021 -0.826 1.00 0.00 C ATOM 786 C ILE A 72 -0.507 5.849 -0.169 1.00 0.00 C ATOM 787 O ILE A 72 -0.260 5.718 1.030 1.00 0.00 O ATOM 788 CB ILE A 72 -0.954 3.965 -1.753 1.00 0.00 C ATOM 789 CG1 ILE A 72 -2.015 3.008 -2.303 1.00 0.00 C ATOM 790 CG2 ILE A 72 0.127 3.188 -1.011 1.00 0.00 C ATOM 791 CD1 ILE A 72 -1.470 1.989 -3.280 1.00 0.00 C ATOM 0 H ILE A 72 -2.585 5.694 -2.550 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.182 4.503 -0.060 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.489 4.487 -2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.485 2.484 -1.471 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.795 3.589 -2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.570 2.451 -1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.899 3.877 -0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.314 2.680 -0.154 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.280 1.347 -3.626 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.026 2.503 -4.132 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.711 1.382 -2.787 1.00 0.00 H new ATOM 803 N HIS A 73 0.141 6.715 -0.941 1.00 0.00 N ATOM 804 CA HIS A 73 1.201 7.541 -0.376 1.00 0.00 C ATOM 805 C HIS A 73 0.643 8.571 0.602 1.00 0.00 C ATOM 806 O HIS A 73 1.327 8.967 1.543 1.00 0.00 O ATOM 807 CB HIS A 73 2.145 8.167 -1.417 1.00 0.00 C ATOM 808 CG HIS A 73 1.527 9.095 -2.421 1.00 0.00 C ATOM 809 ND1 HIS A 73 1.537 8.835 -3.775 1.00 0.00 N ATOM 810 CD2 HIS A 73 0.950 10.310 -2.279 1.00 0.00 C ATOM 811 CE1 HIS A 73 0.996 9.847 -4.418 1.00 0.00 C ATOM 812 NE2 HIS A 73 0.631 10.753 -3.535 1.00 0.00 N ATOM 0 H HIS A 73 -0.042 6.861 -1.934 1.00 0.00 H new ATOM 0 HA HIS A 73 1.837 6.857 0.186 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.924 8.713 -0.884 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.636 7.359 -1.959 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.774 10.832 -1.350 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.872 9.922 -5.488 1.00 0.00 H new ATOM 0 HE2 HIS A 73 0.182 11.643 -3.752 1.00 0.00 H new ATOM 821 N GLU A 74 -0.587 9.033 0.373 1.00 0.00 N ATOM 822 CA GLU A 74 -1.242 9.903 1.344 1.00 0.00 C ATOM 823 C GLU A 74 -1.359 9.185 2.678 1.00 0.00 C ATOM 824 O GLU A 74 -0.964 9.717 3.705 1.00 0.00 O ATOM 825 CB GLU A 74 -2.636 10.318 0.888 1.00 0.00 C ATOM 826 CG GLU A 74 -2.659 11.215 -0.330 1.00 0.00 C ATOM 827 CD GLU A 74 -4.008 11.867 -0.507 1.00 0.00 C ATOM 828 OE1 GLU A 74 -5.019 11.140 -0.553 1.00 0.00 O ATOM 829 OE2 GLU A 74 -4.062 13.112 -0.578 1.00 0.00 O ATOM 0 H GLU A 74 -1.138 8.824 -0.459 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.631 10.800 1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.216 9.420 0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.135 10.831 1.710 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.892 11.983 -0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.416 10.632 -1.218 1.00 0.00 H new ATOM 836 N GLU A 75 -1.877 7.963 2.646 1.00 0.00 N ATOM 837 CA GLU A 75 -1.980 7.130 3.843 1.00 0.00 C ATOM 838 C GLU A 75 -0.609 6.868 4.432 1.00 0.00 C ATOM 839 O GLU A 75 -0.463 6.693 5.638 1.00 0.00 O ATOM 840 CB GLU A 75 -2.668 5.809 3.501 1.00 0.00 C ATOM 841 CG GLU A 75 -4.165 5.940 3.302 1.00 0.00 C ATOM 842 CD GLU A 75 -4.888 6.205 4.601 1.00 0.00 C ATOM 843 OE1 GLU A 75 -4.921 7.369 5.049 1.00 0.00 O ATOM 844 OE2 GLU A 75 -5.401 5.240 5.201 1.00 0.00 O ATOM 0 H GLU A 75 -2.235 7.522 1.799 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.576 7.661 4.585 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.223 5.401 2.593 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.477 5.092 4.299 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.368 6.751 2.602 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.552 5.026 2.852 1.00 0.00 H new ATOM 851 N LEU A 76 0.393 6.842 3.579 1.00 0.00 N ATOM 852 CA LEU A 76 1.763 6.714 4.026 1.00 0.00 C ATOM 853 C LEU A 76 2.162 7.898 4.915 1.00 0.00 C ATOM 854 O LEU A 76 2.774 7.710 5.965 1.00 0.00 O ATOM 855 CB LEU A 76 2.701 6.593 2.823 1.00 0.00 C ATOM 856 CG LEU A 76 4.182 6.758 3.141 1.00 0.00 C ATOM 857 CD1 LEU A 76 4.611 5.773 4.216 1.00 0.00 C ATOM 858 CD2 LEU A 76 5.022 6.588 1.885 1.00 0.00 C ATOM 0 H LEU A 76 0.283 6.908 2.567 1.00 0.00 H new ATOM 0 HA LEU A 76 1.849 5.807 4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.551 5.617 2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.418 7.343 2.084 1.00 0.00 H new ATOM 0 HG LEU A 76 4.342 7.767 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.672 5.906 4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.033 5.950 5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.436 4.755 3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.076 6.710 2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.859 5.593 1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.733 7.339 1.150 1.00 0.00 H new ATOM 870 N GLU A 77 1.821 9.112 4.499 1.00 0.00 N ATOM 871 CA GLU A 77 2.179 10.291 5.266 1.00 0.00 C ATOM 872 C GLU A 77 1.185 10.573 6.398 1.00 0.00 C ATOM 873 O GLU A 77 1.575 10.690 7.556 1.00 0.00 O ATOM 874 CB GLU A 77 2.240 11.503 4.337 1.00 0.00 C ATOM 875 CG GLU A 77 2.255 12.821 5.081 1.00 0.00 C ATOM 876 CD GLU A 77 2.061 14.019 4.177 1.00 0.00 C ATOM 877 OE1 GLU A 77 0.896 14.349 3.864 1.00 0.00 O ATOM 878 OE2 GLU A 77 3.066 14.651 3.796 1.00 0.00 O ATOM 0 H GLU A 77 1.302 9.301 3.642 1.00 0.00 H new ATOM 0 HA GLU A 77 3.153 10.104 5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.133 11.433 3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.382 11.482 3.665 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.469 12.813 5.836 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.203 12.922 5.609 1.00 0.00 H new ATOM 885 N LYS A 78 -0.100 10.649 6.062 1.00 0.00 N ATOM 886 CA LYS A 78 -1.113 11.053 7.031 1.00 0.00 C ATOM 887 C LYS A 78 -1.411 9.950 8.031 1.00 0.00 C ATOM 888 O LYS A 78 -1.624 10.215 9.211 1.00 0.00 O ATOM 889 CB LYS A 78 -2.389 11.543 6.328 1.00 0.00 C ATOM 890 CG LYS A 78 -3.159 10.494 5.536 1.00 0.00 C ATOM 891 CD LYS A 78 -4.116 11.161 4.556 1.00 0.00 C ATOM 892 CE LYS A 78 -4.957 10.156 3.786 1.00 0.00 C ATOM 893 NZ LYS A 78 -5.799 10.828 2.754 1.00 0.00 N ATOM 0 H LYS A 78 -0.462 10.438 5.132 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.707 11.891 7.598 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.056 11.964 7.080 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.119 12.354 5.652 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.462 9.855 4.994 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.717 9.852 6.218 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.774 11.839 5.100 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.546 11.767 3.852 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.305 9.425 3.307 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.596 9.608 4.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.309 10.110 2.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.483 11.457 3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.192 11.386 2.120 1.00 0.00 H new ATOM 907 N HIS A 79 -1.427 8.712 7.564 1.00 0.00 N ATOM 908 CA HIS A 79 -1.690 7.595 8.447 1.00 0.00 C ATOM 909 C HIS A 79 -0.393 6.991 8.957 1.00 0.00 C ATOM 910 O HIS A 79 -0.363 6.371 10.019 1.00 0.00 O ATOM 911 CB HIS A 79 -2.547 6.545 7.756 1.00 0.00 C ATOM 912 CG HIS A 79 -3.926 6.459 8.326 1.00 0.00 C ATOM 913 ND1 HIS A 79 -5.056 6.788 7.613 1.00 0.00 N ATOM 914 CD2 HIS A 79 -4.355 6.082 9.553 1.00 0.00 C ATOM 915 CE1 HIS A 79 -6.118 6.619 8.374 1.00 0.00 C ATOM 916 NE2 HIS A 79 -5.721 6.192 9.555 1.00 0.00 N ATOM 0 H HIS A 79 -1.263 8.460 6.589 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.247 7.968 9.306 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -2.612 6.777 6.693 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -2.062 5.573 7.841 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -5.069 7.112 6.646 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -3.737 5.756 10.376 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.141 6.800 8.079 1.00 0.00 H new ATOM 925 N GLY A 80 0.678 7.175 8.196 1.00 0.00 N ATOM 926 CA GLY A 80 1.974 6.722 8.653 1.00 0.00 C ATOM 927 C GLY A 80 2.239 5.268 8.316 1.00 0.00 C ATOM 928 O GLY A 80 3.043 4.617 8.980 1.00 0.00 O ATOM 0 H GLY A 80 0.672 7.625 7.281 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.750 7.342 8.204 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.042 6.859 9.732 1.00 0.00 H new ATOM 932 N ILE A 81 1.570 4.753 7.293 1.00 0.00 N ATOM 933 CA ILE A 81 1.575 3.326 7.029 1.00 0.00 C ATOM 934 C ILE A 81 2.936 2.873 6.472 1.00 0.00 C ATOM 935 O ILE A 81 3.413 3.377 5.460 1.00 0.00 O ATOM 936 CB ILE A 81 0.415 2.969 6.066 1.00 0.00 C ATOM 937 CG1 ILE A 81 0.194 1.464 6.020 1.00 0.00 C ATOM 938 CG2 ILE A 81 0.654 3.518 4.665 1.00 0.00 C ATOM 939 CD1 ILE A 81 -0.872 1.039 5.037 1.00 0.00 C ATOM 0 H ILE A 81 1.019 5.304 6.635 1.00 0.00 H new ATOM 0 HA ILE A 81 1.420 2.790 7.966 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.487 3.441 6.455 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.133 0.975 5.759 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.081 1.115 7.015 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.182 3.246 4.020 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.740 4.604 4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.575 3.097 4.262 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.975 -0.046 5.058 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.822 1.499 5.309 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.589 1.357 4.034 1.00 0.00 H new ATOM 951 N ASN A 82 3.573 1.934 7.163 1.00 0.00 N ATOM 952 CA ASN A 82 4.948 1.554 6.841 1.00 0.00 C ATOM 953 C ASN A 82 5.022 0.279 6.013 1.00 0.00 C ATOM 954 O ASN A 82 4.647 -0.798 6.468 1.00 0.00 O ATOM 955 CB ASN A 82 5.790 1.384 8.108 1.00 0.00 C ATOM 956 CG ASN A 82 6.120 2.702 8.785 1.00 0.00 C ATOM 957 OD1 ASN A 82 5.423 3.137 9.701 1.00 0.00 O ATOM 958 ND2 ASN A 82 7.189 3.347 8.342 1.00 0.00 N ATOM 0 H ASN A 82 3.164 1.423 7.946 1.00 0.00 H new ATOM 0 HA ASN A 82 5.353 2.371 6.244 1.00 0.00 H new ATOM 0 HB2 ASN A 82 5.254 0.746 8.810 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.717 0.870 7.855 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.459 4.236 8.763 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.742 2.954 7.580 1.00 0.00 H new ATOM 965 N ILE A 83 5.547 0.425 4.808 1.00 0.00 N ATOM 966 CA ILE A 83 5.745 -0.662 3.871 1.00 0.00 C ATOM 967 C ILE A 83 6.967 -0.299 3.043 1.00 0.00 C ATOM 968 O ILE A 83 7.089 0.836 2.575 1.00 0.00 O ATOM 969 CB ILE A 83 4.549 -0.882 2.901 1.00 0.00 C ATOM 970 CG1 ILE A 83 3.210 -0.528 3.564 1.00 0.00 C ATOM 971 CG2 ILE A 83 4.529 -2.325 2.422 1.00 0.00 C ATOM 972 CD1 ILE A 83 1.996 -0.790 2.690 1.00 0.00 C ATOM 0 H ILE A 83 5.855 1.328 4.447 1.00 0.00 H new ATOM 0 HA ILE A 83 5.856 -1.586 4.439 1.00 0.00 H new ATOM 0 HB ILE A 83 4.683 -0.217 2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.111 -1.101 4.486 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.223 0.526 3.843 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.689 -2.471 1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.460 -2.548 1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.424 -2.991 3.278 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.091 -0.514 3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.069 -0.196 1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.955 -1.848 2.431 1.00 0.00 H new ATOM 984 N VAL A 84 7.876 -1.228 2.890 1.00 0.00 N ATOM 985 CA VAL A 84 9.107 -0.977 2.170 1.00 0.00 C ATOM 986 C VAL A 84 8.913 -1.306 0.691 1.00 0.00 C ATOM 987 O VAL A 84 8.053 -2.103 0.336 1.00 0.00 O ATOM 988 CB VAL A 84 10.255 -1.804 2.794 1.00 0.00 C ATOM 989 CG1 VAL A 84 10.805 -2.846 1.833 1.00 0.00 C ATOM 990 CG2 VAL A 84 11.352 -0.879 3.283 1.00 0.00 C ATOM 0 H VAL A 84 7.789 -2.176 3.257 1.00 0.00 H new ATOM 0 HA VAL A 84 9.375 0.077 2.247 1.00 0.00 H new ATOM 0 HB VAL A 84 9.846 -2.352 3.643 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.609 -3.400 2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.009 -3.535 1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.192 -2.351 0.942 1.00 0.00 H new ATOM 0 HG21 VAL A 84 12.157 -1.469 3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.741 -0.301 2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 84 10.948 -0.201 4.035 1.00 0.00 H new ATOM 1000 N GLU A 85 9.688 -0.672 -0.172 1.00 0.00 N ATOM 1001 CA GLU A 85 9.550 -0.904 -1.601 1.00 0.00 C ATOM 1002 C GLU A 85 10.399 -2.081 -2.044 1.00 0.00 C ATOM 1003 O GLU A 85 10.051 -2.796 -2.980 1.00 0.00 O ATOM 1004 CB GLU A 85 9.956 0.333 -2.396 1.00 0.00 C ATOM 1005 CG GLU A 85 9.079 1.542 -2.140 1.00 0.00 C ATOM 1006 CD GLU A 85 9.524 2.752 -2.929 1.00 0.00 C ATOM 1007 OE1 GLU A 85 9.367 2.752 -4.170 1.00 0.00 O ATOM 1008 OE2 GLU A 85 10.042 3.710 -2.315 1.00 0.00 O ATOM 0 H GLU A 85 10.411 -0.000 0.086 1.00 0.00 H new ATOM 0 HA GLU A 85 8.500 -1.126 -1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.988 0.587 -2.153 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.928 0.095 -3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.048 1.301 -2.399 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.093 1.779 -1.076 1.00 0.00 H new ATOM 1015 N ASN A 86 11.526 -2.246 -1.353 1.00 0.00 N ATOM 1016 CA ASN A 86 12.518 -3.276 -1.654 1.00 0.00 C ATOM 1017 C ASN A 86 13.215 -2.935 -2.966 1.00 0.00 C ATOM 1018 O ASN A 86 13.880 -3.770 -3.579 1.00 0.00 O ATOM 1019 CB ASN A 86 11.897 -4.680 -1.702 1.00 0.00 C ATOM 1020 CG ASN A 86 12.922 -5.761 -1.398 1.00 0.00 C ATOM 1021 OD1 ASN A 86 13.893 -5.526 -0.672 1.00 0.00 O ATOM 1022 ND2 ASN A 86 12.720 -6.947 -1.938 1.00 0.00 N ATOM 0 H ASN A 86 11.779 -1.660 -0.558 1.00 0.00 H new ATOM 0 HA ASN A 86 13.253 -3.293 -0.849 1.00 0.00 H new ATOM 0 HB2 ASN A 86 11.080 -4.741 -0.983 1.00 0.00 H new ATOM 0 HB3 ASN A 86 11.467 -4.854 -2.688 1.00 0.00 H new ATOM 0 HD21 ASN A 86 13.377 -7.707 -1.761 1.00 0.00 H new ATOM 0 HD22 ASN A 86 11.907 -7.105 -2.533 1.00 0.00 H new ATOM 1029 N GLU A 87 13.053 -1.683 -3.377 1.00 0.00 N ATOM 1030 CA GLU A 87 13.683 -1.169 -4.583 1.00 0.00 C ATOM 1031 C GLU A 87 15.159 -0.894 -4.340 1.00 0.00 C ATOM 1032 O GLU A 87 15.535 -0.365 -3.291 1.00 0.00 O ATOM 1033 CB GLU A 87 12.981 0.111 -5.034 1.00 0.00 C ATOM 1034 CG GLU A 87 11.592 -0.128 -5.597 1.00 0.00 C ATOM 1035 CD GLU A 87 11.625 -0.719 -6.990 1.00 0.00 C ATOM 1036 OE1 GLU A 87 12.060 -1.878 -7.150 1.00 0.00 O ATOM 1037 OE2 GLU A 87 11.218 -0.018 -7.939 1.00 0.00 O ATOM 0 H GLU A 87 12.482 -0.998 -2.883 1.00 0.00 H new ATOM 0 HA GLU A 87 13.595 -1.921 -5.367 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.909 0.794 -4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 87 13.592 0.604 -5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.045 -0.799 -4.934 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.045 0.815 -5.619 1.00 0.00 H new ATOM 1044 N PRO A 88 16.016 -1.273 -5.297 1.00 0.00 N ATOM 1045 CA PRO A 88 17.457 -1.051 -5.203 1.00 0.00 C ATOM 1046 C PRO A 88 17.819 0.417 -5.395 1.00 0.00 C ATOM 1047 O PRO A 88 17.212 1.115 -6.213 1.00 0.00 O ATOM 1048 CB PRO A 88 18.040 -1.903 -6.346 1.00 0.00 C ATOM 1049 CG PRO A 88 16.904 -2.728 -6.855 1.00 0.00 C ATOM 1050 CD PRO A 88 15.658 -1.955 -6.543 1.00 0.00 C ATOM 0 HA PRO A 88 17.847 -1.323 -4.222 1.00 0.00 H new ATOM 0 HB2 PRO A 88 18.450 -1.272 -7.135 1.00 0.00 H new ATOM 0 HB3 PRO A 88 18.853 -2.535 -5.988 1.00 0.00 H new ATOM 0 HG2 PRO A 88 16.997 -2.901 -7.927 1.00 0.00 H new ATOM 0 HG3 PRO A 88 16.887 -3.706 -6.375 1.00 0.00 H new ATOM 0 HD2 PRO A 88 15.408 -1.249 -7.335 1.00 0.00 H new ATOM 0 HD3 PRO A 88 14.795 -2.609 -6.415 1.00 0.00 H new ATOM 1058 N GLU A 89 18.807 0.877 -4.645 1.00 0.00 N ATOM 1059 CA GLU A 89 19.265 2.253 -4.736 1.00 0.00 C ATOM 1060 C GLU A 89 20.225 2.393 -5.915 1.00 0.00 C ATOM 1061 O GLU A 89 21.438 2.535 -5.744 1.00 0.00 O ATOM 1062 CB GLU A 89 19.944 2.671 -3.430 1.00 0.00 C ATOM 1063 CG GLU A 89 20.263 4.153 -3.349 1.00 0.00 C ATOM 1064 CD GLU A 89 21.116 4.486 -2.147 1.00 0.00 C ATOM 1065 OE1 GLU A 89 22.345 4.285 -2.218 1.00 0.00 O ATOM 1066 OE2 GLU A 89 20.566 4.933 -1.121 1.00 0.00 O ATOM 0 H GLU A 89 19.311 0.312 -3.961 1.00 0.00 H new ATOM 0 HA GLU A 89 18.410 2.910 -4.898 1.00 0.00 H new ATOM 0 HB2 GLU A 89 19.298 2.402 -2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 89 20.868 2.104 -3.314 1.00 0.00 H new ATOM 0 HG2 GLU A 89 20.781 4.462 -4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 89 19.334 4.721 -3.302 1.00 0.00 H new ATOM 1073 N GLU A 90 19.667 2.316 -7.111 1.00 0.00 N ATOM 1074 CA GLU A 90 20.446 2.386 -8.332 1.00 0.00 C ATOM 1075 C GLU A 90 19.879 3.467 -9.239 1.00 0.00 C ATOM 1076 O GLU A 90 18.665 3.548 -9.446 1.00 0.00 O ATOM 1077 CB GLU A 90 20.435 1.023 -9.028 1.00 0.00 C ATOM 1078 CG GLU A 90 21.240 0.973 -10.318 1.00 0.00 C ATOM 1079 CD GLU A 90 22.658 1.479 -10.151 1.00 0.00 C ATOM 1080 OE1 GLU A 90 23.524 0.712 -9.681 1.00 0.00 O ATOM 1081 OE2 GLU A 90 22.913 2.651 -10.502 1.00 0.00 O ATOM 0 H GLU A 90 18.664 2.204 -7.261 1.00 0.00 H new ATOM 0 HA GLU A 90 21.479 2.643 -8.097 1.00 0.00 H new ATOM 0 HB2 GLU A 90 20.826 0.273 -8.340 1.00 0.00 H new ATOM 0 HB3 GLU A 90 19.403 0.748 -9.246 1.00 0.00 H new ATOM 0 HG2 GLU A 90 21.267 -0.054 -10.683 1.00 0.00 H new ATOM 0 HG3 GLU A 90 20.735 1.569 -11.078 1.00 0.00 H new ATOM 1088 N GLU A 91 20.762 4.299 -9.767 1.00 0.00 N ATOM 1089 CA GLU A 91 20.357 5.439 -10.569 1.00 0.00 C ATOM 1090 C GLU A 91 20.276 5.073 -12.042 1.00 0.00 C ATOM 1091 O GLU A 91 19.308 5.426 -12.716 1.00 0.00 O ATOM 1092 CB GLU A 91 21.334 6.598 -10.365 1.00 0.00 C ATOM 1093 CG GLU A 91 21.374 7.114 -8.934 1.00 0.00 C ATOM 1094 CD GLU A 91 20.098 7.825 -8.531 1.00 0.00 C ATOM 1095 OE1 GLU A 91 18.999 7.317 -8.834 1.00 0.00 O ATOM 1096 OE2 GLU A 91 20.184 8.905 -7.915 1.00 0.00 O ATOM 0 H GLU A 91 21.771 4.204 -9.653 1.00 0.00 H new ATOM 0 HA GLU A 91 19.364 5.747 -10.244 1.00 0.00 H new ATOM 0 HB2 GLU A 91 22.334 6.275 -10.654 1.00 0.00 H new ATOM 0 HB3 GLU A 91 21.058 7.416 -11.030 1.00 0.00 H new ATOM 0 HG2 GLU A 91 21.549 6.279 -8.256 1.00 0.00 H new ATOM 0 HG3 GLU A 91 22.216 7.797 -8.822 1.00 0.00 H new ATOM 1103 N GLU A 92 21.295 4.364 -12.528 1.00 0.00 N ATOM 1104 CA GLU A 92 21.349 3.943 -13.925 1.00 0.00 C ATOM 1105 C GLU A 92 22.628 3.156 -14.205 1.00 0.00 C ATOM 1106 O GLU A 92 23.639 3.727 -14.607 1.00 0.00 O ATOM 1107 CB GLU A 92 21.260 5.152 -14.868 1.00 0.00 C ATOM 1108 CG GLU A 92 21.284 4.784 -16.343 1.00 0.00 C ATOM 1109 CD GLU A 92 20.917 5.946 -17.239 1.00 0.00 C ATOM 1110 OE1 GLU A 92 21.655 6.954 -17.252 1.00 0.00 O ATOM 1111 OE2 GLU A 92 19.875 5.857 -17.925 1.00 0.00 O ATOM 0 H GLU A 92 22.097 4.069 -11.971 1.00 0.00 H new ATOM 0 HA GLU A 92 20.492 3.296 -14.109 1.00 0.00 H new ATOM 0 HB2 GLU A 92 20.342 5.700 -14.655 1.00 0.00 H new ATOM 0 HB3 GLU A 92 22.090 5.826 -14.658 1.00 0.00 H new ATOM 0 HG2 GLU A 92 22.279 4.426 -16.608 1.00 0.00 H new ATOM 0 HG3 GLU A 92 20.591 3.961 -16.520 1.00 0.00 H new ATOM 1118 N ILE A 93 22.577 1.849 -13.951 1.00 0.00 N ATOM 1119 CA ILE A 93 23.676 0.934 -14.281 1.00 0.00 C ATOM 1120 C ILE A 93 24.960 1.380 -13.583 1.00 0.00 C ATOM 1121 O ILE A 93 26.062 1.283 -14.127 1.00 0.00 O ATOM 1122 CB ILE A 93 23.901 0.836 -15.817 1.00 0.00 C ATOM 1123 CG1 ILE A 93 22.560 0.715 -16.554 1.00 0.00 C ATOM 1124 CG2 ILE A 93 24.793 -0.354 -16.166 1.00 0.00 C ATOM 1125 CD1 ILE A 93 21.754 -0.507 -16.169 1.00 0.00 C ATOM 0 H ILE A 93 21.777 1.393 -13.512 1.00 0.00 H new ATOM 0 HA ILE A 93 23.401 -0.059 -13.925 1.00 0.00 H new ATOM 0 HB ILE A 93 24.401 1.750 -16.138 1.00 0.00 H new ATOM 0 HG12 ILE A 93 21.966 1.607 -16.355 1.00 0.00 H new ATOM 0 HG13 ILE A 93 22.748 0.690 -17.627 1.00 0.00 H new ATOM 0 HG21 ILE A 93 24.934 -0.399 -17.246 1.00 0.00 H new ATOM 0 HG22 ILE A 93 25.761 -0.239 -15.678 1.00 0.00 H new ATOM 0 HG23 ILE A 93 24.322 -1.275 -15.823 1.00 0.00 H new ATOM 0 HD11 ILE A 93 20.821 -0.520 -16.733 1.00 0.00 H new ATOM 0 HD12 ILE A 93 22.327 -1.407 -16.394 1.00 0.00 H new ATOM 0 HD13 ILE A 93 21.533 -0.476 -15.102 1.00 0.00 H new ATOM 1137 N SER A 94 24.791 1.877 -12.365 1.00 0.00 N ATOM 1138 CA SER A 94 25.888 2.372 -11.553 1.00 0.00 C ATOM 1139 C SER A 94 26.623 3.513 -12.257 1.00 0.00 C ATOM 1140 O SER A 94 27.838 3.458 -12.467 1.00 0.00 O ATOM 1141 CB SER A 94 26.848 1.233 -11.208 1.00 0.00 C ATOM 1142 OG SER A 94 26.154 0.147 -10.611 1.00 0.00 O ATOM 0 H SER A 94 23.880 1.947 -11.911 1.00 0.00 H new ATOM 0 HA SER A 94 25.476 2.769 -10.625 1.00 0.00 H new ATOM 0 HB2 SER A 94 27.355 0.893 -12.111 1.00 0.00 H new ATOM 0 HB3 SER A 94 27.619 1.595 -10.527 1.00 0.00 H new ATOM 0 HG SER A 94 25.265 0.444 -10.325 1.00 0.00 H new ATOM 1148 N ALA A 95 25.869 4.547 -12.615 1.00 0.00 N ATOM 1149 CA ALA A 95 26.426 5.703 -13.300 1.00 0.00 C ATOM 1150 C ALA A 95 27.346 6.482 -12.375 1.00 0.00 C ATOM 1151 O ALA A 95 26.950 6.880 -11.279 1.00 0.00 O ATOM 1152 CB ALA A 95 25.312 6.599 -13.821 1.00 0.00 C ATOM 0 H ALA A 95 24.866 4.606 -12.440 1.00 0.00 H new ATOM 0 HA ALA A 95 27.012 5.350 -14.148 1.00 0.00 H new ATOM 0 HB1 ALA A 95 25.745 7.459 -14.331 1.00 0.00 H new ATOM 0 HB2 ALA A 95 24.691 6.038 -14.519 1.00 0.00 H new ATOM 0 HB3 ALA A 95 24.701 6.942 -12.986 1.00 0.00 H new ATOM 1158 N GLY A 96 28.576 6.683 -12.811 1.00 0.00 N ATOM 1159 CA GLY A 96 29.546 7.379 -11.999 1.00 0.00 C ATOM 1160 C GLY A 96 30.432 6.413 -11.245 1.00 0.00 C ATOM 1161 O GLY A 96 30.122 6.090 -10.079 1.00 0.00 O ATOM 1162 OXT GLY A 96 31.425 5.936 -11.829 1.00 0.00 O ATOM 0 H GLY A 96 28.922 6.374 -13.719 1.00 0.00 H new ATOM 0 HA2 GLY A 96 30.160 8.019 -12.632 1.00 0.00 H new ATOM 0 HA3 GLY A 96 29.031 8.030 -11.292 1.00 0.00 H new TER 1166 GLY A 96