USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 707 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 NoAdj-H: A 54 HIS HE2 : A 54 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 86 HIS HE2 : A 86 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 62 MET CE :methyl -166:sc= -0.204 (180deg=-0.734) USER MOD Set 1.2: A 64 THR OG1 : rot -26:sc= 0.342! USER MOD Set 1.3: A 71 GLN : amide:sc= 0.47 K(o=0.61,f=-0.83) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0914 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0719 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 149:sc= 0.0345 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.27) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -129:sc= 0.147 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 173:sc= -1.14 (180deg=-1.28) USER MOD Single : A 57 ASN : amide:sc= -3.46! K(o=-3.5!,f=-1.3) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.0052 X(o=-0.0052,f=-0.38) USER MOD Single : A 66 HIS : no HD1:sc=-0.00891 X(o=-0.0089,f=-0.12) USER MOD Single : A 67 HIS : no HD1:sc= -1.06 K(o=-1.1,f=0.13) USER MOD Single : A 70 LYS NZ :NH3+ 159:sc= -0.267 (180deg=-0.665) USER MOD Single : A 74 SER OG : rot 42:sc= 0.367 USER MOD Single : A 78 MET CE :methyl -154:sc= -0.623 (180deg=-1.4) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -8.39! C(o=-8.4!,f=-6.5!) USER MOD Single : A 83 MET CE :methyl 178:sc= -0.0866 (180deg=-0.0945) USER MOD Single : A 85 ASN : amide:sc= 0.0381 X(o=0.038,f=0) USER MOD Single : A 87 ASN : amide:sc= -0.0531 K(o=-0.053,f=-1.3!) USER MOD Single : A 88 SER OG : rot 113:sc= 0.386 USER MOD Single : A 91 SER OG : rot 22:sc= 0.554! USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 8:sc= 0.886 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.255 57.627 6.750 1.00 0.00 N ATOM 2 CA GLY A 1 -5.243 56.594 6.628 1.00 0.00 C ATOM 3 C GLY A 1 -5.836 55.199 6.624 1.00 0.00 C ATOM 4 O GLY A 1 -7.033 55.026 6.852 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.252 58.219 5.895 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.190 57.186 6.862 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.050 58.218 7.581 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.680 56.749 5.708 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.536 56.683 7.453 1.00 0.00 H new ATOM 8 N SER A 2 -4.997 54.202 6.362 1.00 0.00 N ATOM 9 CA SER A 2 -5.447 52.815 6.324 1.00 0.00 C ATOM 10 C SER A 2 -4.264 51.865 6.170 1.00 0.00 C ATOM 11 O SER A 2 -3.270 52.192 5.521 1.00 0.00 O ATOM 12 CB SER A 2 -6.434 52.609 5.173 1.00 0.00 C ATOM 13 OG SER A 2 -5.868 53.009 3.937 1.00 0.00 O ATOM 0 H SER A 2 -4.003 54.328 6.173 1.00 0.00 H new ATOM 0 HA SER A 2 -5.948 52.595 7.267 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.723 51.559 5.121 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.343 53.181 5.362 1.00 0.00 H new ATOM 0 HG SER A 2 -6.518 52.866 3.218 1.00 0.00 H new ATOM 19 N SER A 3 -4.378 50.685 6.773 1.00 0.00 N ATOM 20 CA SER A 3 -3.317 49.687 6.707 1.00 0.00 C ATOM 21 C SER A 3 -3.573 48.696 5.576 1.00 0.00 C ATOM 22 O SER A 3 -4.676 48.623 5.037 1.00 0.00 O ATOM 23 CB SER A 3 -3.206 48.942 8.038 1.00 0.00 C ATOM 24 OG SER A 3 -1.876 48.513 8.273 1.00 0.00 O ATOM 0 H SER A 3 -5.194 50.397 7.312 1.00 0.00 H new ATOM 0 HA SER A 3 -2.378 50.203 6.508 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.531 49.592 8.850 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.874 48.081 8.033 1.00 0.00 H new ATOM 0 HG SER A 3 -1.831 48.041 9.131 1.00 0.00 H new ATOM 30 N GLY A 4 -2.542 47.934 5.221 1.00 0.00 N ATOM 31 CA GLY A 4 -2.675 46.957 4.156 1.00 0.00 C ATOM 32 C GLY A 4 -1.658 45.838 4.267 1.00 0.00 C ATOM 33 O GLY A 4 -0.527 45.969 3.801 1.00 0.00 O ATOM 0 H GLY A 4 -1.618 47.976 5.652 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.680 46.535 4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.559 47.455 3.193 1.00 0.00 H new ATOM 37 N SER A 5 -2.062 44.733 4.887 1.00 0.00 N ATOM 38 CA SER A 5 -1.176 43.588 5.062 1.00 0.00 C ATOM 39 C SER A 5 -1.964 42.352 5.484 1.00 0.00 C ATOM 40 O SER A 5 -2.812 42.416 6.373 1.00 0.00 O ATOM 41 CB SER A 5 -0.101 43.903 6.105 1.00 0.00 C ATOM 42 OG SER A 5 -0.682 44.360 7.314 1.00 0.00 O ATOM 0 H SER A 5 -2.996 44.607 5.276 1.00 0.00 H new ATOM 0 HA SER A 5 -0.695 43.382 4.106 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.495 43.011 6.299 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.578 44.661 5.715 1.00 0.00 H new ATOM 0 HG SER A 5 0.025 44.553 7.964 1.00 0.00 H new ATOM 48 N SER A 6 -1.676 41.226 4.839 1.00 0.00 N ATOM 49 CA SER A 6 -2.359 39.974 5.144 1.00 0.00 C ATOM 50 C SER A 6 -1.356 38.876 5.484 1.00 0.00 C ATOM 51 O SER A 6 -1.428 38.260 6.546 1.00 0.00 O ATOM 52 CB SER A 6 -3.226 39.540 3.960 1.00 0.00 C ATOM 53 OG SER A 6 -2.462 39.464 2.770 1.00 0.00 O ATOM 0 H SER A 6 -0.974 41.155 4.102 1.00 0.00 H new ATOM 0 HA SER A 6 -2.998 40.139 6.012 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.675 38.569 4.170 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.044 40.247 3.826 1.00 0.00 H new ATOM 0 HG SER A 6 -3.038 39.183 2.029 1.00 0.00 H new ATOM 59 N GLY A 7 -0.419 38.636 4.571 1.00 0.00 N ATOM 60 CA GLY A 7 0.586 37.613 4.791 1.00 0.00 C ATOM 61 C GLY A 7 0.508 36.495 3.770 1.00 0.00 C ATOM 62 O GLY A 7 -0.498 36.347 3.077 1.00 0.00 O ATOM 0 H GLY A 7 -0.338 39.132 3.683 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.576 38.067 4.753 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.464 37.197 5.791 1.00 0.00 H new ATOM 66 N ARG A 8 1.574 35.707 3.675 1.00 0.00 N ATOM 67 CA ARG A 8 1.624 34.598 2.729 1.00 0.00 C ATOM 68 C ARG A 8 2.590 33.519 3.207 1.00 0.00 C ATOM 69 O ARG A 8 3.511 33.793 3.976 1.00 0.00 O ATOM 70 CB ARG A 8 2.044 35.099 1.346 1.00 0.00 C ATOM 71 CG ARG A 8 3.414 35.756 1.326 1.00 0.00 C ATOM 72 CD ARG A 8 3.529 36.772 0.201 1.00 0.00 C ATOM 73 NE ARG A 8 3.548 36.134 -1.113 1.00 0.00 N ATOM 74 CZ ARG A 8 3.772 36.790 -2.245 1.00 0.00 C ATOM 75 NH1 ARG A 8 3.997 38.097 -2.225 1.00 0.00 N ATOM 76 NH2 ARG A 8 3.774 36.140 -3.402 1.00 0.00 N ATOM 0 H ARG A 8 2.415 35.816 4.242 1.00 0.00 H new ATOM 0 HA ARG A 8 0.626 34.164 2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.042 34.261 0.649 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.303 35.813 0.987 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.597 36.248 2.282 1.00 0.00 H new ATOM 0 HG3 ARG A 8 4.183 34.993 1.208 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.692 37.468 0.254 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.439 37.357 0.333 1.00 0.00 H new ATOM 0 HE ARG A 8 3.380 35.129 -1.163 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.998 38.601 -1.338 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.169 38.598 -3.097 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.603 35.135 -3.422 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.946 36.646 -4.271 1.00 0.00 H new ATOM 90 N ILE A 9 2.374 32.292 2.745 1.00 0.00 N ATOM 91 CA ILE A 9 3.226 31.172 3.124 1.00 0.00 C ATOM 92 C ILE A 9 3.707 30.406 1.896 1.00 0.00 C ATOM 93 O ILE A 9 2.933 30.138 0.977 1.00 0.00 O ATOM 94 CB ILE A 9 2.492 30.199 4.066 1.00 0.00 C ATOM 95 CG1 ILE A 9 1.968 30.944 5.296 1.00 0.00 C ATOM 96 CG2 ILE A 9 3.416 29.065 4.481 1.00 0.00 C ATOM 97 CD1 ILE A 9 0.627 31.609 5.075 1.00 0.00 C ATOM 0 H ILE A 9 1.616 32.048 2.107 1.00 0.00 H new ATOM 0 HA ILE A 9 4.085 31.593 3.647 1.00 0.00 H new ATOM 0 HB ILE A 9 1.642 29.772 3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.884 30.243 6.127 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.696 31.701 5.590 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.883 28.386 5.146 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.745 28.521 3.596 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.284 29.474 4.999 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.318 32.118 5.988 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.710 32.335 4.266 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.114 30.855 4.811 1.00 0.00 H new ATOM 109 N ARG A 10 4.989 30.056 1.889 1.00 0.00 N ATOM 110 CA ARG A 10 5.573 29.321 0.774 1.00 0.00 C ATOM 111 C ARG A 10 5.876 27.879 1.173 1.00 0.00 C ATOM 112 O ARG A 10 6.944 27.583 1.710 1.00 0.00 O ATOM 113 CB ARG A 10 6.854 30.009 0.296 1.00 0.00 C ATOM 114 CG ARG A 10 7.914 30.139 1.377 1.00 0.00 C ATOM 115 CD ARG A 10 8.809 31.345 1.138 1.00 0.00 C ATOM 116 NE ARG A 10 9.756 31.117 0.050 1.00 0.00 N ATOM 117 CZ ARG A 10 10.483 32.080 -0.505 1.00 0.00 C ATOM 118 NH1 ARG A 10 10.372 33.330 -0.078 1.00 0.00 N ATOM 119 NH2 ARG A 10 11.324 31.793 -1.491 1.00 0.00 N ATOM 0 H ARG A 10 5.643 30.269 2.642 1.00 0.00 H new ATOM 0 HA ARG A 10 4.849 29.311 -0.041 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.268 29.447 -0.541 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.605 31.002 -0.079 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.433 30.229 2.351 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.521 29.234 1.404 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.193 32.213 0.906 1.00 0.00 H new ATOM 0 HD3 ARG A 10 9.356 31.577 2.052 1.00 0.00 H new ATOM 0 HE ARG A 10 9.865 30.166 -0.303 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.727 33.555 0.679 1.00 0.00 H new ATOM 0 HH12 ARG A 10 10.932 34.067 -0.507 1.00 0.00 H new ATOM 0 HH21 ARG A 10 11.412 30.833 -1.823 1.00 0.00 H new ATOM 0 HH22 ARG A 10 11.882 32.533 -1.917 1.00 0.00 H new ATOM 133 N LYS A 11 4.929 26.986 0.906 1.00 0.00 N ATOM 134 CA LYS A 11 5.093 25.575 1.236 1.00 0.00 C ATOM 135 C LYS A 11 4.206 24.704 0.353 1.00 0.00 C ATOM 136 O LYS A 11 3.103 25.103 -0.020 1.00 0.00 O ATOM 137 CB LYS A 11 4.760 25.333 2.710 1.00 0.00 C ATOM 138 CG LYS A 11 5.394 24.075 3.278 1.00 0.00 C ATOM 139 CD LYS A 11 5.179 23.970 4.778 1.00 0.00 C ATOM 140 CE LYS A 11 6.173 24.830 5.544 1.00 0.00 C ATOM 141 NZ LYS A 11 5.749 25.044 6.956 1.00 0.00 N ATOM 0 H LYS A 11 4.040 27.214 0.462 1.00 0.00 H new ATOM 0 HA LYS A 11 6.133 25.303 1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.090 26.192 3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.678 25.268 2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.970 23.199 2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.462 24.076 3.062 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.163 24.279 5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.280 22.930 5.089 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.153 24.354 5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.278 25.794 5.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.452 25.635 7.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.825 25.521 6.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.673 24.126 7.439 1.00 0.00 H new ATOM 155 N GLU A 12 4.694 23.512 0.024 1.00 0.00 N ATOM 156 CA GLU A 12 3.944 22.584 -0.814 1.00 0.00 C ATOM 157 C GLU A 12 4.461 21.159 -0.646 1.00 0.00 C ATOM 158 O GLU A 12 5.662 20.916 -0.530 1.00 0.00 O ATOM 159 CB GLU A 12 4.036 23.002 -2.283 1.00 0.00 C ATOM 160 CG GLU A 12 2.796 22.659 -3.092 1.00 0.00 C ATOM 161 CD GLU A 12 2.713 23.437 -4.391 1.00 0.00 C ATOM 162 OE1 GLU A 12 3.770 23.658 -5.018 1.00 0.00 O ATOM 163 OE2 GLU A 12 1.591 23.826 -4.779 1.00 0.00 O ATOM 0 H GLU A 12 5.605 23.166 0.325 1.00 0.00 H new ATOM 0 HA GLU A 12 2.901 22.612 -0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.208 24.077 -2.336 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.901 22.518 -2.736 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.794 21.591 -3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.908 22.863 -2.493 1.00 0.00 H new ATOM 170 N PRO A 13 3.532 20.191 -0.632 1.00 0.00 N ATOM 171 CA PRO A 13 3.869 18.772 -0.478 1.00 0.00 C ATOM 172 C PRO A 13 4.578 18.209 -1.705 1.00 0.00 C ATOM 173 O PRO A 13 4.622 18.831 -2.766 1.00 0.00 O ATOM 174 CB PRO A 13 2.506 18.102 -0.293 1.00 0.00 C ATOM 175 CG PRO A 13 1.539 19.018 -0.961 1.00 0.00 C ATOM 176 CD PRO A 13 2.082 20.407 -0.764 1.00 0.00 C ATOM 0 HA PRO A 13 4.557 18.604 0.350 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.488 17.110 -0.744 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.267 17.976 0.763 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.446 18.782 -2.021 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.545 18.922 -0.525 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.847 21.054 -1.609 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.664 20.880 0.125 1.00 0.00 H new ATOM 184 N PRO A 14 5.147 17.003 -1.559 1.00 0.00 N ATOM 185 CA PRO A 14 5.864 16.329 -2.645 1.00 0.00 C ATOM 186 C PRO A 14 4.928 15.862 -3.755 1.00 0.00 C ATOM 187 O PRO A 14 3.746 16.208 -3.771 1.00 0.00 O ATOM 188 CB PRO A 14 6.512 15.128 -1.951 1.00 0.00 C ATOM 189 CG PRO A 14 5.648 14.864 -0.767 1.00 0.00 C ATOM 190 CD PRO A 14 5.134 16.204 -0.321 1.00 0.00 C ATOM 0 HA PRO A 14 6.578 16.991 -3.135 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.552 14.263 -2.613 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.537 15.349 -1.652 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.825 14.197 -1.025 1.00 0.00 H new ATOM 0 HG3 PRO A 14 6.214 14.379 0.028 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.131 16.130 0.099 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.770 16.643 0.448 1.00 0.00 H new ATOM 198 N VAL A 15 5.463 15.073 -4.681 1.00 0.00 N ATOM 199 CA VAL A 15 4.674 14.556 -5.794 1.00 0.00 C ATOM 200 C VAL A 15 3.329 14.023 -5.313 1.00 0.00 C ATOM 201 O VAL A 15 2.349 14.020 -6.059 1.00 0.00 O ATOM 202 CB VAL A 15 5.422 13.435 -6.539 1.00 0.00 C ATOM 203 CG1 VAL A 15 5.830 12.332 -5.574 1.00 0.00 C ATOM 204 CG2 VAL A 15 4.564 12.879 -7.664 1.00 0.00 C ATOM 0 H VAL A 15 6.439 14.778 -4.683 1.00 0.00 H new ATOM 0 HA VAL A 15 4.508 15.388 -6.478 1.00 0.00 H new ATOM 0 HB VAL A 15 6.327 13.855 -6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.357 11.549 -6.119 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.485 12.744 -4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.940 11.912 -5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.108 12.088 -8.180 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.640 12.474 -7.251 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.328 13.676 -8.369 1.00 0.00 H new ATOM 214 N TYR A 16 3.289 13.574 -4.064 1.00 0.00 N ATOM 215 CA TYR A 16 2.064 13.037 -3.484 1.00 0.00 C ATOM 216 C TYR A 16 1.703 13.771 -2.196 1.00 0.00 C ATOM 217 O TYR A 16 2.515 14.512 -1.643 1.00 0.00 O ATOM 218 CB TYR A 16 2.221 11.541 -3.205 1.00 0.00 C ATOM 219 CG TYR A 16 3.614 11.150 -2.766 1.00 0.00 C ATOM 220 CD1 TYR A 16 4.207 11.743 -1.658 1.00 0.00 C ATOM 221 CD2 TYR A 16 4.338 10.188 -3.460 1.00 0.00 C ATOM 222 CE1 TYR A 16 5.480 11.389 -1.254 1.00 0.00 C ATOM 223 CE2 TYR A 16 5.611 9.827 -3.062 1.00 0.00 C ATOM 224 CZ TYR A 16 6.178 10.431 -1.959 1.00 0.00 C ATOM 225 OH TYR A 16 7.446 10.075 -1.560 1.00 0.00 O ATOM 0 H TYR A 16 4.091 13.571 -3.433 1.00 0.00 H new ATOM 0 HA TYR A 16 1.257 13.184 -4.202 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.510 11.247 -2.433 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.963 10.983 -4.105 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.664 12.493 -1.103 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.898 9.714 -4.325 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.926 11.860 -0.391 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.159 9.076 -3.612 1.00 0.00 H new ATOM 0 HH TYR A 16 7.607 9.135 -1.783 1.00 0.00 H new ATOM 235 N ALA A 17 0.479 13.558 -1.725 1.00 0.00 N ATOM 236 CA ALA A 17 0.010 14.197 -0.502 1.00 0.00 C ATOM 237 C ALA A 17 0.051 13.227 0.674 1.00 0.00 C ATOM 238 O ALA A 17 0.209 12.021 0.491 1.00 0.00 O ATOM 239 CB ALA A 17 -1.400 14.736 -0.695 1.00 0.00 C ATOM 0 H ALA A 17 -0.206 12.948 -2.172 1.00 0.00 H new ATOM 0 HA ALA A 17 0.677 15.029 -0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.737 15.211 0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.402 15.468 -1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.072 13.916 -0.948 1.00 0.00 H new ATOM 245 N ALA A 18 -0.092 13.762 1.882 1.00 0.00 N ATOM 246 CA ALA A 18 -0.072 12.944 3.088 1.00 0.00 C ATOM 247 C ALA A 18 -1.421 12.269 3.316 1.00 0.00 C ATOM 248 O ALA A 18 -1.916 12.213 4.440 1.00 0.00 O ATOM 249 CB ALA A 18 0.307 13.790 4.294 1.00 0.00 C ATOM 0 H ALA A 18 -0.223 14.759 2.051 1.00 0.00 H new ATOM 0 HA ALA A 18 0.678 12.164 2.955 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.318 13.166 5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.297 14.220 4.140 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.421 14.591 4.420 1.00 0.00 H new ATOM 255 N GLY A 19 -2.011 11.758 2.239 1.00 0.00 N ATOM 256 CA GLY A 19 -3.297 11.095 2.343 1.00 0.00 C ATOM 257 C GLY A 19 -4.018 11.015 1.012 1.00 0.00 C ATOM 258 O GLY A 19 -5.193 11.368 0.913 1.00 0.00 O ATOM 0 H GLY A 19 -1.621 11.792 1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.153 10.088 2.735 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.921 11.630 3.059 1.00 0.00 H new ATOM 262 N SER A 20 -3.312 10.552 -0.015 1.00 0.00 N ATOM 263 CA SER A 20 -3.890 10.433 -1.348 1.00 0.00 C ATOM 264 C SER A 20 -3.454 9.132 -2.015 1.00 0.00 C ATOM 265 O SER A 20 -2.540 8.454 -1.543 1.00 0.00 O ATOM 266 CB SER A 20 -3.479 11.625 -2.214 1.00 0.00 C ATOM 267 OG SER A 20 -4.382 12.706 -2.056 1.00 0.00 O ATOM 0 H SER A 20 -2.339 10.253 0.051 1.00 0.00 H new ATOM 0 HA SER A 20 -4.975 10.424 -1.246 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.473 11.945 -1.944 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.447 11.324 -3.261 1.00 0.00 H new ATOM 0 HG SER A 20 -4.096 13.456 -2.619 1.00 0.00 H new ATOM 273 N LEU A 21 -4.115 8.788 -3.114 1.00 0.00 N ATOM 274 CA LEU A 21 -3.798 7.567 -3.848 1.00 0.00 C ATOM 275 C LEU A 21 -2.314 7.512 -4.196 1.00 0.00 C ATOM 276 O LEU A 21 -1.653 6.497 -3.979 1.00 0.00 O ATOM 277 CB LEU A 21 -4.637 7.482 -5.124 1.00 0.00 C ATOM 278 CG LEU A 21 -5.980 6.763 -4.997 1.00 0.00 C ATOM 279 CD1 LEU A 21 -6.753 6.842 -6.304 1.00 0.00 C ATOM 280 CD2 LEU A 21 -5.772 5.313 -4.586 1.00 0.00 C ATOM 0 H LEU A 21 -4.874 9.337 -3.517 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.035 6.716 -3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.822 8.495 -5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.048 6.977 -5.889 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.564 7.259 -4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.706 6.325 -6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.934 7.887 -6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.174 6.371 -7.098 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.739 4.817 -4.500 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.168 4.805 -5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.260 5.277 -3.625 1.00 0.00 H new ATOM 292 N GLU A 22 -1.797 8.611 -4.737 1.00 0.00 N ATOM 293 CA GLU A 22 -0.391 8.687 -5.114 1.00 0.00 C ATOM 294 C GLU A 22 0.495 8.056 -4.044 1.00 0.00 C ATOM 295 O GLU A 22 1.429 7.317 -4.353 1.00 0.00 O ATOM 296 CB GLU A 22 0.022 10.144 -5.340 1.00 0.00 C ATOM 297 CG GLU A 22 -0.853 10.876 -6.343 1.00 0.00 C ATOM 298 CD GLU A 22 -2.062 11.525 -5.699 1.00 0.00 C ATOM 299 OE1 GLU A 22 -1.885 12.246 -4.695 1.00 0.00 O ATOM 300 OE2 GLU A 22 -3.187 11.311 -6.200 1.00 0.00 O ATOM 0 H GLU A 22 -2.331 9.460 -4.924 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.260 8.132 -6.043 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.010 10.674 -4.388 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.056 10.171 -5.685 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.261 11.640 -6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.186 10.175 -7.108 1.00 0.00 H new ATOM 307 N GLU A 23 0.194 8.355 -2.784 1.00 0.00 N ATOM 308 CA GLU A 23 0.963 7.818 -1.667 1.00 0.00 C ATOM 309 C GLU A 23 0.960 6.292 -1.688 1.00 0.00 C ATOM 310 O GLU A 23 2.009 5.658 -1.575 1.00 0.00 O ATOM 311 CB GLU A 23 0.396 8.322 -0.339 1.00 0.00 C ATOM 312 CG GLU A 23 1.113 7.764 0.880 1.00 0.00 C ATOM 313 CD GLU A 23 2.387 8.520 1.203 1.00 0.00 C ATOM 314 OE1 GLU A 23 3.439 8.187 0.620 1.00 0.00 O ATOM 315 OE2 GLU A 23 2.331 9.446 2.040 1.00 0.00 O ATOM 0 H GLU A 23 -0.576 8.966 -2.511 1.00 0.00 H new ATOM 0 HA GLU A 23 1.992 8.163 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.455 9.410 -0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.660 8.059 -0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.444 7.802 1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.351 6.714 0.708 1.00 0.00 H new ATOM 322 N GLN A 24 -0.226 5.710 -1.834 1.00 0.00 N ATOM 323 CA GLN A 24 -0.366 4.260 -1.868 1.00 0.00 C ATOM 324 C GLN A 24 0.481 3.657 -2.985 1.00 0.00 C ATOM 325 O GLN A 24 1.372 2.846 -2.733 1.00 0.00 O ATOM 326 CB GLN A 24 -1.833 3.872 -2.059 1.00 0.00 C ATOM 327 CG GLN A 24 -2.750 4.408 -0.972 1.00 0.00 C ATOM 328 CD GLN A 24 -4.095 3.709 -0.945 1.00 0.00 C ATOM 329 OE1 GLN A 24 -4.200 2.556 -0.526 1.00 0.00 O ATOM 330 NE2 GLN A 24 -5.133 4.404 -1.394 1.00 0.00 N ATOM 0 H GLN A 24 -1.104 6.221 -1.931 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.014 3.864 -0.915 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.175 4.241 -3.026 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.912 2.785 -2.086 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.265 4.291 -0.003 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.903 5.476 -1.125 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.001 5.357 -1.732 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.063 3.985 -1.401 1.00 0.00 H new ATOM 339 N TRP A 25 0.196 4.060 -4.218 1.00 0.00 N ATOM 340 CA TRP A 25 0.932 3.559 -5.374 1.00 0.00 C ATOM 341 C TRP A 25 2.435 3.614 -5.128 1.00 0.00 C ATOM 342 O TRP A 25 3.155 2.654 -5.404 1.00 0.00 O ATOM 343 CB TRP A 25 0.576 4.370 -6.621 1.00 0.00 C ATOM 344 CG TRP A 25 -0.877 4.300 -6.980 1.00 0.00 C ATOM 345 CD1 TRP A 25 -1.742 3.279 -6.705 1.00 0.00 C ATOM 346 CD2 TRP A 25 -1.635 5.292 -7.683 1.00 0.00 C ATOM 347 NE1 TRP A 25 -2.991 3.577 -7.194 1.00 0.00 N ATOM 348 CE2 TRP A 25 -2.952 4.806 -7.797 1.00 0.00 C ATOM 349 CE3 TRP A 25 -1.329 6.544 -8.224 1.00 0.00 C ATOM 350 CZ2 TRP A 25 -3.959 5.528 -8.432 1.00 0.00 C ATOM 351 CZ3 TRP A 25 -2.330 7.259 -8.853 1.00 0.00 C ATOM 352 CH2 TRP A 25 -3.632 6.751 -8.953 1.00 0.00 C ATOM 0 H TRP A 25 -0.538 4.731 -4.443 1.00 0.00 H new ATOM 0 HA TRP A 25 0.647 2.519 -5.532 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.853 5.412 -6.460 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.168 4.009 -7.462 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.482 2.371 -6.181 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.814 2.979 -7.120 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -0.329 6.945 -8.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -4.963 5.137 -8.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -2.105 8.227 -9.275 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -4.392 7.335 -9.450 1.00 0.00 H new ATOM 363 N TYR A 26 2.904 4.743 -4.607 1.00 0.00 N ATOM 364 CA TYR A 26 4.323 4.924 -4.326 1.00 0.00 C ATOM 365 C TYR A 26 4.881 3.734 -3.550 1.00 0.00 C ATOM 366 O TYR A 26 5.958 3.224 -3.862 1.00 0.00 O ATOM 367 CB TYR A 26 4.548 6.213 -3.535 1.00 0.00 C ATOM 368 CG TYR A 26 5.966 6.380 -3.038 1.00 0.00 C ATOM 369 CD1 TYR A 26 6.985 6.763 -3.902 1.00 0.00 C ATOM 370 CD2 TYR A 26 6.288 6.152 -1.706 1.00 0.00 C ATOM 371 CE1 TYR A 26 8.282 6.916 -3.453 1.00 0.00 C ATOM 372 CE2 TYR A 26 7.582 6.304 -1.248 1.00 0.00 C ATOM 373 CZ TYR A 26 8.576 6.686 -2.125 1.00 0.00 C ATOM 374 OH TYR A 26 9.867 6.836 -1.673 1.00 0.00 O ATOM 0 H TYR A 26 2.322 5.546 -4.371 1.00 0.00 H new ATOM 0 HA TYR A 26 4.849 4.993 -5.278 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.290 7.065 -4.164 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.869 6.229 -2.682 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.759 6.944 -4.942 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.513 5.851 -1.017 1.00 0.00 H new ATOM 0 HE1 TYR A 26 9.062 7.214 -4.138 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.815 6.125 -0.209 1.00 0.00 H new ATOM 0 HH TYR A 26 9.903 6.637 -0.714 1.00 0.00 H new ATOM 384 N LEU A 27 4.140 3.297 -2.538 1.00 0.00 N ATOM 385 CA LEU A 27 4.558 2.166 -1.716 1.00 0.00 C ATOM 386 C LEU A 27 4.876 0.952 -2.582 1.00 0.00 C ATOM 387 O LEU A 27 5.994 0.437 -2.558 1.00 0.00 O ATOM 388 CB LEU A 27 3.465 1.814 -0.705 1.00 0.00 C ATOM 389 CG LEU A 27 3.015 2.946 0.218 1.00 0.00 C ATOM 390 CD1 LEU A 27 1.728 2.570 0.936 1.00 0.00 C ATOM 391 CD2 LEU A 27 4.108 3.283 1.222 1.00 0.00 C ATOM 0 H LEU A 27 3.247 3.708 -2.267 1.00 0.00 H new ATOM 0 HA LEU A 27 5.462 2.453 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.595 1.451 -1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.821 0.989 -0.088 1.00 0.00 H new ATOM 0 HG LEU A 27 2.823 3.830 -0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.423 3.388 1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.944 2.380 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.893 1.672 1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.770 4.091 1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.332 2.403 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.006 3.597 0.690 1.00 0.00 H new ATOM 403 N GLU A 28 3.887 0.501 -3.347 1.00 0.00 N ATOM 404 CA GLU A 28 4.063 -0.652 -4.222 1.00 0.00 C ATOM 405 C GLU A 28 5.430 -0.616 -4.901 1.00 0.00 C ATOM 406 O GLU A 28 5.997 -1.657 -5.233 1.00 0.00 O ATOM 407 CB GLU A 28 2.958 -0.693 -5.279 1.00 0.00 C ATOM 408 CG GLU A 28 2.861 -2.022 -6.008 1.00 0.00 C ATOM 409 CD GLU A 28 1.450 -2.337 -6.464 1.00 0.00 C ATOM 410 OE1 GLU A 28 0.497 -1.885 -5.795 1.00 0.00 O ATOM 411 OE2 GLU A 28 1.298 -3.034 -7.489 1.00 0.00 O ATOM 0 H GLU A 28 2.956 0.916 -3.379 1.00 0.00 H new ATOM 0 HA GLU A 28 4.003 -1.552 -3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.002 -0.480 -4.801 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.134 0.099 -6.007 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.523 -2.006 -6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.213 -2.818 -5.352 1.00 0.00 H new ATOM 418 N ILE A 29 5.951 0.589 -5.105 1.00 0.00 N ATOM 419 CA ILE A 29 7.250 0.761 -5.744 1.00 0.00 C ATOM 420 C ILE A 29 8.384 0.575 -4.742 1.00 0.00 C ATOM 421 O ILE A 29 9.292 -0.228 -4.957 1.00 0.00 O ATOM 422 CB ILE A 29 7.377 2.151 -6.395 1.00 0.00 C ATOM 423 CG1 ILE A 29 6.315 2.329 -7.481 1.00 0.00 C ATOM 424 CG2 ILE A 29 8.772 2.339 -6.973 1.00 0.00 C ATOM 425 CD1 ILE A 29 5.854 3.760 -7.647 1.00 0.00 C ATOM 0 H ILE A 29 5.494 1.461 -4.837 1.00 0.00 H new ATOM 0 HA ILE A 29 7.325 -0.002 -6.519 1.00 0.00 H new ATOM 0 HB ILE A 29 7.217 2.911 -5.630 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.714 1.972 -8.430 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.454 1.704 -7.242 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.847 3.326 -7.430 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.511 2.251 -6.176 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.959 1.575 -7.728 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.101 3.811 -8.434 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.424 4.115 -6.710 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.704 4.387 -7.917 1.00 0.00 H new ATOM 437 N VAL A 30 8.324 1.322 -3.644 1.00 0.00 N ATOM 438 CA VAL A 30 9.345 1.238 -2.606 1.00 0.00 C ATOM 439 C VAL A 30 9.378 -0.152 -1.979 1.00 0.00 C ATOM 440 O VAL A 30 10.310 -0.493 -1.250 1.00 0.00 O ATOM 441 CB VAL A 30 9.107 2.283 -1.499 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.649 3.603 -2.100 1.00 0.00 C ATOM 443 CG2 VAL A 30 8.094 1.767 -0.489 1.00 0.00 C ATOM 0 H VAL A 30 7.580 1.992 -3.450 1.00 0.00 H new ATOM 0 HA VAL A 30 10.302 1.440 -3.086 1.00 0.00 H new ATOM 0 HB VAL A 30 10.049 2.456 -0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.486 4.329 -1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.413 3.977 -2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.719 3.450 -2.647 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.938 2.518 0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.149 1.564 -0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.468 0.849 -0.035 1.00 0.00 H new ATOM 453 N ASP A 31 8.356 -0.949 -2.268 1.00 0.00 N ATOM 454 CA ASP A 31 8.268 -2.303 -1.734 1.00 0.00 C ATOM 455 C ASP A 31 8.678 -3.330 -2.785 1.00 0.00 C ATOM 456 O ASP A 31 9.419 -4.270 -2.495 1.00 0.00 O ATOM 457 CB ASP A 31 6.846 -2.592 -1.249 1.00 0.00 C ATOM 458 CG ASP A 31 6.816 -3.581 -0.100 1.00 0.00 C ATOM 459 OD1 ASP A 31 7.063 -4.781 -0.344 1.00 0.00 O ATOM 460 OD2 ASP A 31 6.545 -3.156 1.042 1.00 0.00 O ATOM 0 H ASP A 31 7.577 -0.681 -2.869 1.00 0.00 H new ATOM 0 HA ASP A 31 8.954 -2.379 -0.890 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.376 -1.660 -0.935 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.255 -2.984 -2.077 1.00 0.00 H new ATOM 465 N LYS A 32 8.192 -3.144 -4.007 1.00 0.00 N ATOM 466 CA LYS A 32 8.508 -4.053 -5.103 1.00 0.00 C ATOM 467 C LYS A 32 9.461 -3.397 -6.097 1.00 0.00 C ATOM 468 O LYS A 32 10.511 -3.950 -6.423 1.00 0.00 O ATOM 469 CB LYS A 32 7.226 -4.485 -5.820 1.00 0.00 C ATOM 470 CG LYS A 32 6.100 -4.866 -4.875 1.00 0.00 C ATOM 471 CD LYS A 32 6.448 -6.102 -4.062 1.00 0.00 C ATOM 472 CE LYS A 32 5.684 -6.138 -2.747 1.00 0.00 C ATOM 473 NZ LYS A 32 6.164 -7.230 -1.856 1.00 0.00 N ATOM 0 H LYS A 32 7.577 -2.372 -4.264 1.00 0.00 H new ATOM 0 HA LYS A 32 8.997 -4.932 -4.683 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.889 -3.673 -6.465 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.449 -5.334 -6.466 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.891 -4.034 -4.202 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.190 -5.050 -5.447 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.219 -6.996 -4.642 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.519 -6.117 -3.862 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.792 -5.180 -2.238 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.621 -6.274 -2.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.353 -7.794 -1.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.823 -7.841 -2.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.652 -6.819 -1.035 1.00 0.00 H new ATOM 487 N GLY A 33 9.090 -2.212 -6.573 1.00 0.00 N ATOM 488 CA GLY A 33 9.924 -1.500 -7.523 1.00 0.00 C ATOM 489 C GLY A 33 9.114 -0.808 -8.601 1.00 0.00 C ATOM 490 O GLY A 33 9.593 0.127 -9.243 1.00 0.00 O ATOM 0 H GLY A 33 8.227 -1.733 -6.317 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.524 -0.760 -6.992 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.619 -2.200 -7.988 1.00 0.00 H new ATOM 494 N SER A 34 7.884 -1.268 -8.802 1.00 0.00 N ATOM 495 CA SER A 34 7.007 -0.690 -9.814 1.00 0.00 C ATOM 496 C SER A 34 5.541 -0.887 -9.440 1.00 0.00 C ATOM 497 O SER A 34 5.159 -1.929 -8.906 1.00 0.00 O ATOM 498 CB SER A 34 7.286 -1.320 -11.180 1.00 0.00 C ATOM 499 OG SER A 34 6.911 -2.686 -11.197 1.00 0.00 O ATOM 0 H SER A 34 7.472 -2.040 -8.278 1.00 0.00 H new ATOM 0 HA SER A 34 7.209 0.380 -9.867 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.738 -0.780 -11.952 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.346 -1.228 -11.417 1.00 0.00 H new ATOM 0 HG SER A 34 7.098 -3.065 -12.081 1.00 0.00 H new ATOM 505 N VAL A 35 4.724 0.122 -9.724 1.00 0.00 N ATOM 506 CA VAL A 35 3.299 0.060 -9.419 1.00 0.00 C ATOM 507 C VAL A 35 2.512 -0.523 -10.586 1.00 0.00 C ATOM 508 O VAL A 35 2.666 -0.093 -11.729 1.00 0.00 O ATOM 509 CB VAL A 35 2.737 1.454 -9.080 1.00 0.00 C ATOM 510 CG1 VAL A 35 2.827 2.374 -10.288 1.00 0.00 C ATOM 511 CG2 VAL A 35 1.302 1.344 -8.588 1.00 0.00 C ATOM 0 H VAL A 35 5.024 0.992 -10.165 1.00 0.00 H new ATOM 0 HA VAL A 35 3.189 -0.589 -8.551 1.00 0.00 H new ATOM 0 HB VAL A 35 3.339 1.885 -8.280 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.426 3.354 -10.030 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.869 2.477 -10.590 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.251 1.951 -11.111 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.921 2.338 -8.353 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.685 0.893 -9.365 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.271 0.723 -7.693 1.00 0.00 H new ATOM 521 N SER A 36 1.666 -1.505 -10.291 1.00 0.00 N ATOM 522 CA SER A 36 0.855 -2.150 -11.317 1.00 0.00 C ATOM 523 C SER A 36 -0.403 -1.338 -11.606 1.00 0.00 C ATOM 524 O SER A 36 -0.917 -0.636 -10.735 1.00 0.00 O ATOM 525 CB SER A 36 0.473 -3.565 -10.879 1.00 0.00 C ATOM 526 OG SER A 36 -0.242 -4.239 -11.900 1.00 0.00 O ATOM 0 H SER A 36 1.524 -1.871 -9.350 1.00 0.00 H new ATOM 0 HA SER A 36 1.447 -2.207 -12.231 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.373 -4.127 -10.629 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.135 -3.518 -9.975 1.00 0.00 H new ATOM 0 HG SER A 36 -0.473 -5.142 -11.596 1.00 0.00 H new ATOM 532 N CYS A 37 -0.894 -1.438 -12.837 1.00 0.00 N ATOM 533 CA CYS A 37 -2.092 -0.713 -13.244 1.00 0.00 C ATOM 534 C CYS A 37 -3.306 -1.174 -12.442 1.00 0.00 C ATOM 535 O CYS A 37 -3.789 -2.296 -12.591 1.00 0.00 O ATOM 536 CB CYS A 37 -2.349 -0.910 -14.739 1.00 0.00 C ATOM 537 SG CYS A 37 -3.806 -0.014 -15.368 1.00 0.00 S ATOM 0 H CYS A 37 -0.481 -2.014 -13.570 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.930 0.347 -13.047 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.469 -0.585 -15.294 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.477 -1.974 -14.938 1.00 0.00 H new ATOM 542 N PRO A 38 -3.811 -0.288 -11.571 1.00 0.00 N ATOM 543 CA PRO A 38 -4.974 -0.581 -10.729 1.00 0.00 C ATOM 544 C PRO A 38 -6.265 -0.671 -11.536 1.00 0.00 C ATOM 545 O PRO A 38 -7.348 -0.853 -10.977 1.00 0.00 O ATOM 546 CB PRO A 38 -5.026 0.610 -9.769 1.00 0.00 C ATOM 547 CG PRO A 38 -4.350 1.717 -10.502 1.00 0.00 C ATOM 548 CD PRO A 38 -3.285 1.068 -11.341 1.00 0.00 C ATOM 0 HA PRO A 38 -4.883 -1.545 -10.229 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.054 0.871 -9.518 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.516 0.386 -8.832 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.059 2.263 -11.125 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.916 2.437 -9.808 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.130 1.603 -12.278 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.325 1.045 -10.825 1.00 0.00 H new ATOM 556 N THR A 39 -6.145 -0.543 -12.854 1.00 0.00 N ATOM 557 CA THR A 39 -7.302 -0.610 -13.737 1.00 0.00 C ATOM 558 C THR A 39 -7.404 -1.975 -14.407 1.00 0.00 C ATOM 559 O THR A 39 -8.421 -2.660 -14.294 1.00 0.00 O ATOM 560 CB THR A 39 -7.242 0.480 -14.824 1.00 0.00 C ATOM 561 OG1 THR A 39 -7.060 1.765 -14.220 1.00 0.00 O ATOM 562 CG2 THR A 39 -8.514 0.482 -15.659 1.00 0.00 C ATOM 0 H THR A 39 -5.257 -0.392 -13.333 1.00 0.00 H new ATOM 0 HA THR A 39 -8.183 -0.446 -13.117 1.00 0.00 H new ATOM 0 HB THR A 39 -6.397 0.264 -15.478 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.021 2.452 -14.918 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.449 1.260 -16.420 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.634 -0.488 -16.141 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.372 0.676 -15.015 1.00 0.00 H new ATOM 570 N CYS A 40 -6.344 -2.367 -15.106 1.00 0.00 N ATOM 571 CA CYS A 40 -6.313 -3.651 -15.795 1.00 0.00 C ATOM 572 C CYS A 40 -5.450 -4.655 -15.037 1.00 0.00 C ATOM 573 O CYS A 40 -5.698 -5.860 -15.081 1.00 0.00 O ATOM 574 CB CYS A 40 -5.781 -3.477 -17.219 1.00 0.00 C ATOM 575 SG CYS A 40 -4.017 -3.029 -17.304 1.00 0.00 S ATOM 0 H CYS A 40 -5.494 -1.813 -15.210 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.332 -4.035 -15.839 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -5.936 -4.405 -17.769 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -6.365 -2.707 -17.722 1.00 0.00 H new ATOM 580 N GLN A 41 -4.436 -4.149 -14.342 1.00 0.00 N ATOM 581 CA GLN A 41 -3.536 -5.002 -13.574 1.00 0.00 C ATOM 582 C GLN A 41 -2.770 -5.950 -14.491 1.00 0.00 C ATOM 583 O GLN A 41 -2.592 -7.126 -14.175 1.00 0.00 O ATOM 584 CB GLN A 41 -4.322 -5.802 -12.534 1.00 0.00 C ATOM 585 CG GLN A 41 -5.075 -4.934 -11.540 1.00 0.00 C ATOM 586 CD GLN A 41 -5.483 -5.694 -10.293 1.00 0.00 C ATOM 587 OE1 GLN A 41 -5.638 -6.915 -10.319 1.00 0.00 O ATOM 588 NE2 GLN A 41 -5.660 -4.973 -9.192 1.00 0.00 N ATOM 0 H GLN A 41 -4.217 -3.154 -14.295 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.817 -4.362 -13.062 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.032 -6.451 -13.047 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.634 -6.449 -11.990 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.450 -4.087 -11.257 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.965 -4.527 -12.020 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.520 -3.963 -9.216 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.935 -5.429 -8.322 1.00 0.00 H new ATOM 597 N ALA A 42 -2.319 -5.430 -15.628 1.00 0.00 N ATOM 598 CA ALA A 42 -1.571 -6.230 -16.590 1.00 0.00 C ATOM 599 C ALA A 42 -0.100 -5.831 -16.609 1.00 0.00 C ATOM 600 O ALA A 42 0.786 -6.686 -16.614 1.00 0.00 O ATOM 601 CB ALA A 42 -2.177 -6.088 -17.978 1.00 0.00 C ATOM 0 H ALA A 42 -2.459 -4.458 -15.905 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.633 -7.274 -16.284 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.609 -6.691 -18.687 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.212 -6.429 -17.960 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.145 -5.042 -18.284 1.00 0.00 H new ATOM 607 N VAL A 43 0.155 -4.526 -16.620 1.00 0.00 N ATOM 608 CA VAL A 43 1.520 -4.014 -16.638 1.00 0.00 C ATOM 609 C VAL A 43 1.697 -2.885 -15.629 1.00 0.00 C ATOM 610 O VAL A 43 0.795 -2.073 -15.426 1.00 0.00 O ATOM 611 CB VAL A 43 1.909 -3.503 -18.038 1.00 0.00 C ATOM 612 CG1 VAL A 43 1.860 -4.634 -19.053 1.00 0.00 C ATOM 613 CG2 VAL A 43 0.999 -2.359 -18.458 1.00 0.00 C ATOM 0 H VAL A 43 -0.566 -3.805 -16.617 1.00 0.00 H new ATOM 0 HA VAL A 43 2.173 -4.844 -16.368 1.00 0.00 H new ATOM 0 HB VAL A 43 2.932 -3.128 -17.998 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.138 -4.253 -20.036 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.557 -5.419 -18.758 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.850 -5.042 -19.094 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.288 -2.010 -19.449 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.034 -2.706 -18.482 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.090 -1.540 -17.744 1.00 0.00 H new ATOM 623 N GLY A 44 2.866 -2.840 -14.999 1.00 0.00 N ATOM 624 CA GLY A 44 3.141 -1.806 -14.018 1.00 0.00 C ATOM 625 C GLY A 44 4.208 -0.835 -14.482 1.00 0.00 C ATOM 626 O GLY A 44 4.710 -0.943 -15.601 1.00 0.00 O ATOM 0 H GLY A 44 3.628 -3.501 -15.150 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.223 -1.258 -13.806 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.458 -2.271 -13.084 1.00 0.00 H new ATOM 630 N ARG A 45 4.555 0.117 -13.622 1.00 0.00 N ATOM 631 CA ARG A 45 5.567 1.113 -13.952 1.00 0.00 C ATOM 632 C ARG A 45 6.476 1.380 -12.756 1.00 0.00 C ATOM 633 O ARG A 45 6.005 1.630 -11.646 1.00 0.00 O ATOM 634 CB ARG A 45 4.904 2.416 -14.403 1.00 0.00 C ATOM 635 CG ARG A 45 5.863 3.388 -15.069 1.00 0.00 C ATOM 636 CD ARG A 45 5.937 3.156 -16.570 1.00 0.00 C ATOM 637 NE ARG A 45 6.950 2.164 -16.921 1.00 0.00 N ATOM 638 CZ ARG A 45 7.484 2.056 -18.132 1.00 0.00 C ATOM 639 NH1 ARG A 45 7.105 2.875 -19.104 1.00 0.00 N ATOM 640 NH2 ARG A 45 8.401 1.127 -18.374 1.00 0.00 N ATOM 0 H ARG A 45 4.150 0.219 -12.691 1.00 0.00 H new ATOM 0 HA ARG A 45 6.174 0.721 -14.768 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.097 2.182 -15.097 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.450 2.901 -13.539 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.541 4.411 -14.873 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.856 3.278 -14.633 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.964 2.825 -16.934 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.162 4.097 -17.072 1.00 0.00 H new ATOM 0 HE ARG A 45 7.264 1.519 -16.196 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.401 3.591 -18.922 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.517 2.789 -20.033 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.696 0.495 -17.629 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.811 1.045 -19.305 1.00 0.00 H new ATOM 654 N LYS A 46 7.783 1.326 -12.989 1.00 0.00 N ATOM 655 CA LYS A 46 8.760 1.562 -11.933 1.00 0.00 C ATOM 656 C LYS A 46 8.401 2.808 -11.129 1.00 0.00 C ATOM 657 O LYS A 46 8.862 2.985 -10.000 1.00 0.00 O ATOM 658 CB LYS A 46 10.161 1.715 -12.530 1.00 0.00 C ATOM 659 CG LYS A 46 10.197 2.568 -13.786 1.00 0.00 C ATOM 660 CD LYS A 46 10.583 4.004 -13.474 1.00 0.00 C ATOM 661 CE LYS A 46 12.081 4.143 -13.254 1.00 0.00 C ATOM 662 NZ LYS A 46 12.811 4.372 -14.532 1.00 0.00 N ATOM 0 H LYS A 46 8.190 1.121 -13.901 1.00 0.00 H new ATOM 0 HA LYS A 46 8.749 0.702 -11.264 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.819 2.157 -11.782 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.558 0.727 -12.761 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.909 2.145 -14.494 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.219 2.550 -14.268 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.273 4.652 -14.294 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.051 4.340 -12.584 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.273 4.972 -12.573 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.463 3.242 -12.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.829 4.461 -14.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.649 3.569 -15.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.465 5.246 -14.978 1.00 0.00 H new ATOM 676 N THR A 47 7.574 3.668 -11.715 1.00 0.00 N ATOM 677 CA THR A 47 7.153 4.896 -11.053 1.00 0.00 C ATOM 678 C THR A 47 5.690 5.205 -11.348 1.00 0.00 C ATOM 679 O THR A 47 5.048 4.518 -12.143 1.00 0.00 O ATOM 680 CB THR A 47 8.017 6.094 -11.489 1.00 0.00 C ATOM 681 OG1 THR A 47 8.177 6.091 -12.912 1.00 0.00 O ATOM 682 CG2 THR A 47 9.383 6.048 -10.820 1.00 0.00 C ATOM 0 H THR A 47 7.182 3.536 -12.648 1.00 0.00 H new ATOM 0 HA THR A 47 7.280 4.737 -9.982 1.00 0.00 H new ATOM 0 HB THR A 47 7.510 7.009 -11.183 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.726 6.857 -13.181 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.975 6.904 -11.143 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.259 6.080 -9.738 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.894 5.127 -11.099 1.00 0.00 H new ATOM 690 N ILE A 48 5.168 6.243 -10.703 1.00 0.00 N ATOM 691 CA ILE A 48 3.780 6.644 -10.899 1.00 0.00 C ATOM 692 C ILE A 48 3.613 7.432 -12.194 1.00 0.00 C ATOM 693 O ILE A 48 2.717 7.153 -12.989 1.00 0.00 O ATOM 694 CB ILE A 48 3.270 7.497 -9.722 1.00 0.00 C ATOM 695 CG1 ILE A 48 3.786 6.937 -8.396 1.00 0.00 C ATOM 696 CG2 ILE A 48 1.749 7.549 -9.726 1.00 0.00 C ATOM 697 CD1 ILE A 48 3.325 7.722 -7.188 1.00 0.00 C ATOM 0 H ILE A 48 5.685 6.821 -10.041 1.00 0.00 H new ATOM 0 HA ILE A 48 3.191 5.728 -10.956 1.00 0.00 H new ATOM 0 HB ILE A 48 3.649 8.512 -9.837 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.456 5.903 -8.295 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.876 6.923 -8.416 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.403 8.155 -8.889 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.402 7.990 -10.661 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.350 6.539 -9.632 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.729 7.268 -6.283 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.677 8.750 -7.266 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.236 7.714 -7.143 1.00 0.00 H new ATOM 709 N GLU A 49 4.483 8.416 -12.398 1.00 0.00 N ATOM 710 CA GLU A 49 4.431 9.244 -13.597 1.00 0.00 C ATOM 711 C GLU A 49 3.967 8.429 -14.801 1.00 0.00 C ATOM 712 O GLU A 49 2.885 8.658 -15.340 1.00 0.00 O ATOM 713 CB GLU A 49 5.804 9.856 -13.881 1.00 0.00 C ATOM 714 CG GLU A 49 6.252 10.859 -12.831 1.00 0.00 C ATOM 715 CD GLU A 49 5.456 12.149 -12.880 1.00 0.00 C ATOM 716 OE1 GLU A 49 4.230 12.099 -12.648 1.00 0.00 O ATOM 717 OE2 GLU A 49 6.059 13.208 -13.149 1.00 0.00 O ATOM 0 H GLU A 49 5.232 8.659 -11.749 1.00 0.00 H new ATOM 0 HA GLU A 49 3.713 10.045 -13.423 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.542 9.057 -13.946 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.779 10.347 -14.854 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.153 10.413 -11.842 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.309 11.083 -12.975 1.00 0.00 H new ATOM 724 N GLY A 50 4.795 7.475 -15.217 1.00 0.00 N ATOM 725 CA GLY A 50 4.454 6.641 -16.355 1.00 0.00 C ATOM 726 C GLY A 50 3.081 6.011 -16.220 1.00 0.00 C ATOM 727 O GLY A 50 2.262 6.088 -17.137 1.00 0.00 O ATOM 0 H GLY A 50 5.695 7.265 -14.786 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.488 7.241 -17.264 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.202 5.856 -16.463 1.00 0.00 H new ATOM 731 N LEU A 51 2.829 5.385 -15.076 1.00 0.00 N ATOM 732 CA LEU A 51 1.546 4.738 -14.825 1.00 0.00 C ATOM 733 C LEU A 51 0.389 5.684 -15.131 1.00 0.00 C ATOM 734 O LEU A 51 -0.506 5.357 -15.911 1.00 0.00 O ATOM 735 CB LEU A 51 1.465 4.268 -13.372 1.00 0.00 C ATOM 736 CG LEU A 51 0.061 3.995 -12.832 1.00 0.00 C ATOM 737 CD1 LEU A 51 -0.433 2.632 -13.293 1.00 0.00 C ATOM 738 CD2 LEU A 51 0.047 4.083 -11.313 1.00 0.00 C ATOM 0 H LEU A 51 3.496 5.312 -14.308 1.00 0.00 H new ATOM 0 HA LEU A 51 1.468 3.874 -15.485 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.054 3.356 -13.273 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.935 5.022 -12.741 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.613 4.756 -13.226 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.434 2.455 -12.899 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.462 2.605 -14.382 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.242 1.858 -12.929 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.960 3.886 -10.946 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.734 3.345 -10.899 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.357 5.081 -11.004 1.00 0.00 H new ATOM 750 N LYS A 52 0.415 6.860 -14.514 1.00 0.00 N ATOM 751 CA LYS A 52 -0.629 7.857 -14.722 1.00 0.00 C ATOM 752 C LYS A 52 -0.987 7.969 -16.200 1.00 0.00 C ATOM 753 O LYS A 52 -2.160 7.908 -16.572 1.00 0.00 O ATOM 754 CB LYS A 52 -0.175 9.219 -14.191 1.00 0.00 C ATOM 755 CG LYS A 52 -0.229 9.331 -12.678 1.00 0.00 C ATOM 756 CD LYS A 52 0.303 10.671 -12.198 1.00 0.00 C ATOM 757 CE LYS A 52 0.852 10.579 -10.783 1.00 0.00 C ATOM 758 NZ LYS A 52 1.124 11.925 -10.205 1.00 0.00 N ATOM 0 H LYS A 52 1.148 7.147 -13.865 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.516 7.538 -14.175 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.845 9.408 -14.525 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.802 9.997 -14.627 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.257 9.205 -12.340 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.355 8.526 -12.232 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.088 11.015 -12.872 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.494 11.413 -12.232 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.139 10.049 -10.151 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.771 9.993 -10.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.497 11.819 -9.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.823 12.421 -10.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.242 12.475 -10.177 1.00 0.00 H new ATOM 772 N LYS A 53 0.029 8.131 -17.040 1.00 0.00 N ATOM 773 CA LYS A 53 -0.178 8.249 -18.479 1.00 0.00 C ATOM 774 C LYS A 53 -0.813 6.982 -19.042 1.00 0.00 C ATOM 775 O LYS A 53 -1.496 7.021 -20.066 1.00 0.00 O ATOM 776 CB LYS A 53 1.152 8.523 -19.185 1.00 0.00 C ATOM 777 CG LYS A 53 0.993 9.171 -20.549 1.00 0.00 C ATOM 778 CD LYS A 53 0.680 10.653 -20.430 1.00 0.00 C ATOM 779 CE LYS A 53 0.758 11.350 -21.779 1.00 0.00 C ATOM 780 NZ LYS A 53 0.534 12.818 -21.660 1.00 0.00 N ATOM 0 H LYS A 53 1.005 8.184 -16.749 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.856 9.084 -18.657 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.763 9.169 -18.554 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.694 7.584 -19.299 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.908 9.037 -21.125 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.194 8.673 -21.099 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.317 10.783 -20.010 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.381 11.119 -19.737 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.735 11.167 -22.226 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.014 10.923 -22.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.595 13.256 -22.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.408 12.994 -21.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.259 13.230 -21.038 1.00 0.00 H new ATOM 794 N HIS A 54 -0.585 5.860 -18.367 1.00 0.00 N ATOM 795 CA HIS A 54 -1.138 4.581 -18.800 1.00 0.00 C ATOM 796 C HIS A 54 -2.602 4.456 -18.391 1.00 0.00 C ATOM 797 O HIS A 54 -3.465 4.164 -19.219 1.00 0.00 O ATOM 798 CB HIS A 54 -0.330 3.426 -18.208 1.00 0.00 C ATOM 799 CG HIS A 54 -0.893 2.076 -18.528 1.00 0.00 C ATOM 800 ND1 HIS A 54 -0.649 1.421 -19.717 1.00 0.00 N ATOM 801 CD2 HIS A 54 -1.691 1.255 -17.805 1.00 0.00 C ATOM 802 CE1 HIS A 54 -1.274 0.257 -19.712 1.00 0.00 C ATOM 803 NE2 HIS A 54 -1.914 0.132 -18.563 1.00 0.00 N ATOM 0 H HIS A 54 -0.021 5.810 -17.518 1.00 0.00 H new ATOM 0 HA HIS A 54 -1.078 4.536 -19.887 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.693 3.481 -18.580 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -0.283 3.544 -17.125 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -0.076 1.779 -20.481 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -2.080 1.448 -16.816 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -1.264 -0.469 -20.511 1.00 0.00 H new ATOM 811 N MET A 55 -2.875 4.678 -17.109 1.00 0.00 N ATOM 812 CA MET A 55 -4.235 4.590 -16.592 1.00 0.00 C ATOM 813 C MET A 55 -5.110 5.697 -17.172 1.00 0.00 C ATOM 814 O MET A 55 -6.317 5.522 -17.340 1.00 0.00 O ATOM 815 CB MET A 55 -4.229 4.677 -15.064 1.00 0.00 C ATOM 816 CG MET A 55 -3.910 6.066 -14.535 1.00 0.00 C ATOM 817 SD MET A 55 -3.205 6.032 -12.876 1.00 0.00 S ATOM 818 CE MET A 55 -4.397 5.005 -12.022 1.00 0.00 C ATOM 0 H MET A 55 -2.173 4.920 -16.410 1.00 0.00 H new ATOM 0 HA MET A 55 -4.650 3.628 -16.893 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.204 4.369 -14.687 1.00 0.00 H new ATOM 0 HB3 MET A 55 -3.498 3.971 -14.671 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.211 6.557 -15.212 1.00 0.00 H new ATOM 0 HG3 MET A 55 -4.820 6.665 -14.527 1.00 0.00 H new ATOM 0 HE1 MET A 55 -4.036 4.788 -11.017 1.00 0.00 H new ATOM 0 HE2 MET A 55 -5.351 5.529 -11.960 1.00 0.00 H new ATOM 0 HE3 MET A 55 -4.531 4.072 -12.569 1.00 0.00 H new ATOM 828 N GLU A 56 -4.494 6.835 -17.475 1.00 0.00 N ATOM 829 CA GLU A 56 -5.219 7.970 -18.035 1.00 0.00 C ATOM 830 C GLU A 56 -6.064 7.539 -19.230 1.00 0.00 C ATOM 831 O GLU A 56 -7.211 7.960 -19.376 1.00 0.00 O ATOM 832 CB GLU A 56 -4.242 9.069 -18.457 1.00 0.00 C ATOM 833 CG GLU A 56 -3.942 10.072 -17.355 1.00 0.00 C ATOM 834 CD GLU A 56 -4.899 11.249 -17.361 1.00 0.00 C ATOM 835 OE1 GLU A 56 -5.071 11.869 -18.430 1.00 0.00 O ATOM 836 OE2 GLU A 56 -5.475 11.549 -16.294 1.00 0.00 O ATOM 0 H GLU A 56 -3.496 6.996 -17.342 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.883 8.361 -17.264 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.309 8.609 -18.782 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.653 9.598 -19.317 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.994 9.571 -16.388 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.922 10.438 -17.470 1.00 0.00 H new ATOM 843 N ASN A 57 -5.488 6.698 -20.082 1.00 0.00 N ATOM 844 CA ASN A 57 -6.187 6.210 -21.266 1.00 0.00 C ATOM 845 C ASN A 57 -6.669 4.778 -21.061 1.00 0.00 C ATOM 846 O ASN A 57 -7.594 4.320 -21.733 1.00 0.00 O ATOM 847 CB ASN A 57 -5.272 6.282 -22.490 1.00 0.00 C ATOM 848 CG ASN A 57 -3.807 6.139 -22.126 1.00 0.00 C ATOM 849 OD1 ASN A 57 -3.008 7.048 -22.350 1.00 0.00 O ATOM 850 ND2 ASN A 57 -3.447 4.992 -21.561 1.00 0.00 N ATOM 0 H ASN A 57 -4.539 6.340 -19.975 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.056 6.847 -21.433 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.547 5.496 -23.193 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.426 7.233 -23.000 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.475 4.838 -21.294 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.143 4.265 -21.394 1.00 0.00 H new ATOM 857 N CYS A 58 -6.037 4.074 -20.128 1.00 0.00 N ATOM 858 CA CYS A 58 -6.401 2.693 -19.833 1.00 0.00 C ATOM 859 C CYS A 58 -7.537 2.635 -18.817 1.00 0.00 C ATOM 860 O CYS A 58 -7.681 1.656 -18.084 1.00 0.00 O ATOM 861 CB CYS A 58 -5.188 1.926 -19.303 1.00 0.00 C ATOM 862 SG CYS A 58 -5.503 0.159 -18.993 1.00 0.00 S ATOM 0 H CYS A 58 -5.270 4.437 -19.563 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.741 2.228 -20.758 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.372 2.018 -20.020 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.853 2.392 -18.376 1.00 0.00 H new ATOM 867 N LYS A 59 -8.344 3.691 -18.778 1.00 0.00 N ATOM 868 CA LYS A 59 -9.469 3.761 -17.854 1.00 0.00 C ATOM 869 C LYS A 59 -10.650 2.945 -18.370 1.00 0.00 C ATOM 870 O LYS A 59 -11.293 3.321 -19.350 1.00 0.00 O ATOM 871 CB LYS A 59 -9.893 5.216 -17.644 1.00 0.00 C ATOM 872 CG LYS A 59 -9.213 5.884 -16.462 1.00 0.00 C ATOM 873 CD LYS A 59 -10.026 5.728 -15.189 1.00 0.00 C ATOM 874 CE LYS A 59 -9.374 6.448 -14.019 1.00 0.00 C ATOM 875 NZ LYS A 59 -9.680 5.787 -12.720 1.00 0.00 N ATOM 0 H LYS A 59 -8.239 4.510 -19.376 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.150 3.341 -16.900 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.672 5.784 -18.548 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.973 5.254 -17.500 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.223 5.450 -16.318 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.069 6.943 -16.675 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.030 6.123 -15.347 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.133 4.669 -14.952 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.294 6.477 -14.166 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.719 7.481 -13.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.217 6.308 -11.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.709 5.782 -12.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.328 4.809 -12.737 1.00 0.00 H new ATOM 889 N GLN A 60 -10.929 1.830 -17.704 1.00 0.00 N ATOM 890 CA GLN A 60 -12.034 0.962 -18.097 1.00 0.00 C ATOM 891 C GLN A 60 -12.997 0.748 -16.934 1.00 0.00 C ATOM 892 O GLN A 60 -12.617 0.870 -15.771 1.00 0.00 O ATOM 893 CB GLN A 60 -11.502 -0.385 -18.589 1.00 0.00 C ATOM 894 CG GLN A 60 -12.586 -1.431 -18.788 1.00 0.00 C ATOM 895 CD GLN A 60 -12.023 -2.804 -19.098 1.00 0.00 C ATOM 896 OE1 GLN A 60 -10.976 -2.929 -19.733 1.00 0.00 O ATOM 897 NE2 GLN A 60 -12.717 -3.844 -18.649 1.00 0.00 N ATOM 0 H GLN A 60 -10.406 1.506 -16.890 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.575 1.449 -18.908 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.975 -0.236 -19.532 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.772 -0.762 -17.872 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.199 -1.489 -17.889 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.241 -1.119 -19.601 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -13.580 -3.694 -18.127 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.387 -4.793 -18.827 1.00 0.00 H new ATOM 906 N GLU A 61 -14.246 0.427 -17.259 1.00 0.00 N ATOM 907 CA GLU A 61 -15.264 0.197 -16.240 1.00 0.00 C ATOM 908 C GLU A 61 -15.861 -1.201 -16.374 1.00 0.00 C ATOM 909 O GLU A 61 -16.140 -1.665 -17.479 1.00 0.00 O ATOM 910 CB GLU A 61 -16.370 1.249 -16.346 1.00 0.00 C ATOM 911 CG GLU A 61 -17.443 1.114 -15.278 1.00 0.00 C ATOM 912 CD GLU A 61 -17.091 1.852 -14.001 1.00 0.00 C ATOM 913 OE1 GLU A 61 -16.158 1.412 -13.298 1.00 0.00 O ATOM 914 OE2 GLU A 61 -17.749 2.871 -13.706 1.00 0.00 O ATOM 0 H GLU A 61 -14.577 0.321 -18.218 1.00 0.00 H new ATOM 0 HA GLU A 61 -14.789 0.278 -15.262 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.924 2.241 -16.277 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -16.836 1.176 -17.329 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -18.387 1.497 -15.666 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.596 0.058 -15.053 1.00 0.00 H new ATOM 921 N MET A 62 -16.054 -1.866 -15.240 1.00 0.00 N ATOM 922 CA MET A 62 -16.618 -3.211 -15.230 1.00 0.00 C ATOM 923 C MET A 62 -17.893 -3.259 -14.394 1.00 0.00 C ATOM 924 O MET A 62 -18.308 -2.253 -13.818 1.00 0.00 O ATOM 925 CB MET A 62 -15.598 -4.212 -14.684 1.00 0.00 C ATOM 926 CG MET A 62 -15.139 -3.900 -13.269 1.00 0.00 C ATOM 927 SD MET A 62 -14.090 -5.194 -12.578 1.00 0.00 S ATOM 928 CE MET A 62 -15.266 -6.535 -12.420 1.00 0.00 C ATOM 0 H MET A 62 -15.828 -1.496 -14.317 1.00 0.00 H new ATOM 0 HA MET A 62 -16.867 -3.481 -16.256 1.00 0.00 H new ATOM 0 HB2 MET A 62 -16.034 -5.211 -14.704 1.00 0.00 H new ATOM 0 HB3 MET A 62 -14.730 -4.230 -15.343 1.00 0.00 H new ATOM 0 HG2 MET A 62 -14.594 -2.956 -13.268 1.00 0.00 H new ATOM 0 HG3 MET A 62 -16.011 -3.765 -12.630 1.00 0.00 H new ATOM 0 HE1 MET A 62 -14.845 -7.315 -11.786 1.00 0.00 H new ATOM 0 HE2 MET A 62 -16.186 -6.161 -11.972 1.00 0.00 H new ATOM 0 HE3 MET A 62 -15.484 -6.946 -13.406 1.00 0.00 H new ATOM 938 N PHE A 63 -18.511 -4.434 -14.332 1.00 0.00 N ATOM 939 CA PHE A 63 -19.740 -4.613 -13.567 1.00 0.00 C ATOM 940 C PHE A 63 -19.688 -5.898 -12.747 1.00 0.00 C ATOM 941 O PHE A 63 -18.692 -6.622 -12.767 1.00 0.00 O ATOM 942 CB PHE A 63 -20.949 -4.641 -14.504 1.00 0.00 C ATOM 943 CG PHE A 63 -20.894 -3.600 -15.585 1.00 0.00 C ATOM 944 CD1 PHE A 63 -20.118 -3.797 -16.716 1.00 0.00 C ATOM 945 CD2 PHE A 63 -21.619 -2.424 -15.471 1.00 0.00 C ATOM 946 CE1 PHE A 63 -20.066 -2.840 -17.712 1.00 0.00 C ATOM 947 CE2 PHE A 63 -21.570 -1.464 -16.464 1.00 0.00 C ATOM 948 CZ PHE A 63 -20.793 -1.673 -17.586 1.00 0.00 C ATOM 0 H PHE A 63 -18.181 -5.277 -14.802 1.00 0.00 H new ATOM 0 HA PHE A 63 -19.839 -3.770 -12.883 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -21.020 -5.627 -14.963 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -21.856 -4.497 -13.918 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -19.548 -4.708 -16.820 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -22.229 -2.256 -14.596 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -19.457 -3.005 -18.588 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -22.139 -0.552 -16.362 1.00 0.00 H new ATOM 0 HZ PHE A 63 -20.754 -0.925 -18.364 1.00 0.00 H new ATOM 958 N THR A 64 -20.768 -6.176 -12.024 1.00 0.00 N ATOM 959 CA THR A 64 -20.846 -7.372 -11.195 1.00 0.00 C ATOM 960 C THR A 64 -22.295 -7.740 -10.896 1.00 0.00 C ATOM 961 O THR A 64 -22.992 -7.025 -10.176 1.00 0.00 O ATOM 962 CB THR A 64 -20.092 -7.184 -9.865 1.00 0.00 C ATOM 963 OG1 THR A 64 -18.810 -6.593 -10.108 1.00 0.00 O ATOM 964 CG2 THR A 64 -19.914 -8.516 -9.151 1.00 0.00 C ATOM 0 H THR A 64 -21.601 -5.589 -11.996 1.00 0.00 H new ATOM 0 HA THR A 64 -20.378 -8.178 -11.759 1.00 0.00 H new ATOM 0 HB THR A 64 -20.682 -6.524 -9.229 1.00 0.00 H new ATOM 0 HG1 THR A 64 -18.513 -6.816 -11.015 1.00 0.00 H new ATOM 0 HG21 THR A 64 -19.379 -8.358 -8.215 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.892 -8.950 -8.942 1.00 0.00 H new ATOM 0 HG23 THR A 64 -19.344 -9.195 -9.785 1.00 0.00 H new ATOM 972 N CYS A 65 -22.743 -8.861 -11.452 1.00 0.00 N ATOM 973 CA CYS A 65 -24.109 -9.325 -11.246 1.00 0.00 C ATOM 974 C CYS A 65 -24.437 -9.406 -9.757 1.00 0.00 C ATOM 975 O CYS A 65 -23.540 -9.444 -8.914 1.00 0.00 O ATOM 976 CB CYS A 65 -24.309 -10.694 -11.898 1.00 0.00 C ATOM 977 SG CYS A 65 -25.684 -11.660 -11.194 1.00 0.00 S ATOM 0 H CYS A 65 -22.179 -9.465 -12.049 1.00 0.00 H new ATOM 0 HA CYS A 65 -24.784 -8.607 -11.711 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -24.486 -10.554 -12.964 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -23.388 -11.269 -11.801 1.00 0.00 H new ATOM 982 N HIS A 66 -25.728 -9.432 -9.442 1.00 0.00 N ATOM 983 CA HIS A 66 -26.175 -9.510 -8.055 1.00 0.00 C ATOM 984 C HIS A 66 -26.680 -10.911 -7.725 1.00 0.00 C ATOM 985 O HIS A 66 -26.441 -11.426 -6.632 1.00 0.00 O ATOM 986 CB HIS A 66 -27.277 -8.483 -7.795 1.00 0.00 C ATOM 987 CG HIS A 66 -26.762 -7.094 -7.574 1.00 0.00 C ATOM 988 ND1 HIS A 66 -25.843 -6.779 -6.597 1.00 0.00 N ATOM 989 CD2 HIS A 66 -27.043 -5.934 -8.213 1.00 0.00 C ATOM 990 CE1 HIS A 66 -25.581 -5.485 -6.643 1.00 0.00 C ATOM 991 NE2 HIS A 66 -26.296 -4.949 -7.616 1.00 0.00 N ATOM 0 H HIS A 66 -26.483 -9.400 -10.127 1.00 0.00 H new ATOM 0 HA HIS A 66 -25.324 -9.289 -7.411 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -27.963 -8.477 -8.642 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -27.851 -8.792 -6.922 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -27.727 -5.807 -9.039 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -24.898 -4.955 -5.995 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -26.293 -3.964 -7.881 1.00 0.00 H new ATOM 999 N HIS A 67 -27.379 -11.522 -8.676 1.00 0.00 N ATOM 1000 CA HIS A 67 -27.918 -12.864 -8.485 1.00 0.00 C ATOM 1001 C HIS A 67 -26.837 -13.818 -7.984 1.00 0.00 C ATOM 1002 O HIS A 67 -26.912 -14.324 -6.864 1.00 0.00 O ATOM 1003 CB HIS A 67 -28.511 -13.389 -9.793 1.00 0.00 C ATOM 1004 CG HIS A 67 -29.515 -12.465 -10.409 1.00 0.00 C ATOM 1005 ND1 HIS A 67 -30.875 -12.683 -10.350 1.00 0.00 N ATOM 1006 CD2 HIS A 67 -29.351 -11.311 -11.098 1.00 0.00 C ATOM 1007 CE1 HIS A 67 -31.504 -11.706 -10.978 1.00 0.00 C ATOM 1008 NE2 HIS A 67 -30.601 -10.860 -11.441 1.00 0.00 N ATOM 0 H HIS A 67 -27.585 -11.110 -9.586 1.00 0.00 H new ATOM 0 HA HIS A 67 -28.706 -12.809 -7.734 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -27.704 -13.562 -10.505 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -28.983 -14.353 -9.607 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -28.411 -10.834 -11.334 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -32.574 -11.614 -11.093 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -30.800 -10.010 -11.968 1.00 0.00 H new ATOM 1016 N CYS A 68 -25.833 -14.058 -8.820 1.00 0.00 N ATOM 1017 CA CYS A 68 -24.738 -14.951 -8.464 1.00 0.00 C ATOM 1018 C CYS A 68 -23.511 -14.158 -8.023 1.00 0.00 C ATOM 1019 O CYS A 68 -22.870 -14.488 -7.026 1.00 0.00 O ATOM 1020 CB CYS A 68 -24.379 -15.851 -9.648 1.00 0.00 C ATOM 1021 SG CYS A 68 -23.752 -14.950 -11.102 1.00 0.00 S ATOM 0 H CYS A 68 -25.755 -13.646 -9.750 1.00 0.00 H new ATOM 0 HA CYS A 68 -25.066 -15.573 -7.631 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -23.627 -16.572 -9.328 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -25.262 -16.420 -9.939 1.00 0.00 H new ATOM 1026 N GLY A 69 -23.190 -13.109 -8.774 1.00 0.00 N ATOM 1027 CA GLY A 69 -22.041 -12.285 -8.446 1.00 0.00 C ATOM 1028 C GLY A 69 -20.906 -12.451 -9.437 1.00 0.00 C ATOM 1029 O GLY A 69 -19.734 -12.418 -9.061 1.00 0.00 O ATOM 0 H GLY A 69 -23.705 -12.815 -9.604 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -22.345 -11.238 -8.418 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -21.687 -12.541 -7.447 1.00 0.00 H new ATOM 1033 N LYS A 70 -21.253 -12.630 -10.707 1.00 0.00 N ATOM 1034 CA LYS A 70 -20.255 -12.803 -11.756 1.00 0.00 C ATOM 1035 C LYS A 70 -19.602 -11.471 -12.109 1.00 0.00 C ATOM 1036 O LYS A 70 -20.208 -10.411 -11.950 1.00 0.00 O ATOM 1037 CB LYS A 70 -20.897 -13.416 -13.003 1.00 0.00 C ATOM 1038 CG LYS A 70 -19.971 -14.343 -13.770 1.00 0.00 C ATOM 1039 CD LYS A 70 -19.177 -13.592 -14.825 1.00 0.00 C ATOM 1040 CE LYS A 70 -17.848 -14.273 -15.113 1.00 0.00 C ATOM 1041 NZ LYS A 70 -16.906 -14.157 -13.966 1.00 0.00 N ATOM 0 H LYS A 70 -22.218 -12.659 -11.035 1.00 0.00 H new ATOM 0 HA LYS A 70 -19.484 -13.478 -11.383 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -21.788 -13.969 -12.708 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -21.224 -12.614 -13.665 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -19.286 -14.830 -13.076 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -20.556 -15.130 -14.246 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -19.760 -13.528 -15.743 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -18.998 -12.571 -14.489 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.020 -15.326 -15.337 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -17.397 -13.828 -16.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.182 -14.900 -14.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.447 -13.224 -13.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -17.430 -14.266 -13.074 1.00 0.00 H new ATOM 1055 N GLN A 71 -18.365 -11.533 -12.591 1.00 0.00 N ATOM 1056 CA GLN A 71 -17.631 -10.330 -12.968 1.00 0.00 C ATOM 1057 C GLN A 71 -17.001 -10.487 -14.348 1.00 0.00 C ATOM 1058 O GLN A 71 -16.120 -11.325 -14.548 1.00 0.00 O ATOM 1059 CB GLN A 71 -16.549 -10.022 -11.932 1.00 0.00 C ATOM 1060 CG GLN A 71 -17.097 -9.478 -10.623 1.00 0.00 C ATOM 1061 CD GLN A 71 -16.012 -8.919 -9.723 1.00 0.00 C ATOM 1062 OE1 GLN A 71 -15.103 -9.638 -9.308 1.00 0.00 O ATOM 1063 NE2 GLN A 71 -16.102 -7.630 -9.418 1.00 0.00 N ATOM 0 H GLN A 71 -17.850 -12.402 -12.730 1.00 0.00 H new ATOM 0 HA GLN A 71 -18.337 -9.500 -13.003 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -15.983 -10.931 -11.729 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -15.851 -9.298 -12.352 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -17.826 -8.696 -10.836 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -17.626 -10.273 -10.097 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -16.873 -7.072 -9.785 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.400 -7.198 -8.817 1.00 0.00 H new ATOM 1072 N LEU A 72 -17.458 -9.678 -15.297 1.00 0.00 N ATOM 1073 CA LEU A 72 -16.939 -9.726 -16.659 1.00 0.00 C ATOM 1074 C LEU A 72 -16.501 -8.342 -17.125 1.00 0.00 C ATOM 1075 O LEU A 72 -16.829 -7.333 -16.500 1.00 0.00 O ATOM 1076 CB LEU A 72 -17.999 -10.285 -17.610 1.00 0.00 C ATOM 1077 CG LEU A 72 -18.256 -11.790 -17.520 1.00 0.00 C ATOM 1078 CD1 LEU A 72 -19.519 -12.162 -18.281 1.00 0.00 C ATOM 1079 CD2 LEU A 72 -17.061 -12.567 -18.052 1.00 0.00 C ATOM 0 H LEU A 72 -18.187 -8.981 -15.148 1.00 0.00 H new ATOM 0 HA LEU A 72 -16.069 -10.383 -16.667 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -18.938 -9.765 -17.421 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -17.703 -10.048 -18.632 1.00 0.00 H new ATOM 0 HG LEU A 72 -18.398 -12.054 -16.472 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -19.686 -13.237 -18.206 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -20.370 -11.632 -17.854 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -19.407 -11.885 -19.329 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -17.261 -13.636 -17.980 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.888 -12.299 -19.094 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -16.177 -12.323 -17.463 1.00 0.00 H new ATOM 1091 N ARG A 73 -15.759 -8.301 -18.228 1.00 0.00 N ATOM 1092 CA ARG A 73 -15.277 -7.040 -18.778 1.00 0.00 C ATOM 1093 C ARG A 73 -16.331 -6.401 -19.677 1.00 0.00 C ATOM 1094 O ARG A 73 -16.737 -5.259 -19.460 1.00 0.00 O ATOM 1095 CB ARG A 73 -13.986 -7.264 -19.567 1.00 0.00 C ATOM 1096 CG ARG A 73 -12.758 -7.438 -18.689 1.00 0.00 C ATOM 1097 CD ARG A 73 -12.516 -8.901 -18.353 1.00 0.00 C ATOM 1098 NE ARG A 73 -12.154 -9.681 -19.533 1.00 0.00 N ATOM 1099 CZ ARG A 73 -11.519 -10.847 -19.477 1.00 0.00 C ATOM 1100 NH1 ARG A 73 -11.179 -11.365 -18.305 1.00 0.00 N ATOM 1101 NH2 ARG A 73 -11.224 -11.497 -20.596 1.00 0.00 N ATOM 0 H ARG A 73 -15.479 -9.127 -18.758 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.074 -6.364 -17.947 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.102 -8.148 -20.194 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.827 -6.418 -20.235 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.884 -7.031 -19.199 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.884 -6.868 -17.768 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.721 -8.976 -17.611 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -13.414 -9.323 -17.901 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.402 -9.311 -20.450 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.405 -10.868 -17.443 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.692 -12.260 -18.265 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.485 -11.102 -21.499 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.737 -12.392 -20.553 1.00 0.00 H new ATOM 1115 N SER A 74 -16.770 -7.145 -20.687 1.00 0.00 N ATOM 1116 CA SER A 74 -17.773 -6.649 -21.622 1.00 0.00 C ATOM 1117 C SER A 74 -19.176 -6.790 -21.039 1.00 0.00 C ATOM 1118 O SER A 74 -19.693 -7.899 -20.895 1.00 0.00 O ATOM 1119 CB SER A 74 -17.683 -7.406 -22.949 1.00 0.00 C ATOM 1120 OG SER A 74 -17.725 -8.807 -22.741 1.00 0.00 O ATOM 0 H SER A 74 -16.447 -8.093 -20.879 1.00 0.00 H new ATOM 0 HA SER A 74 -17.576 -5.592 -21.800 1.00 0.00 H new ATOM 0 HB2 SER A 74 -18.506 -7.107 -23.598 1.00 0.00 H new ATOM 0 HB3 SER A 74 -16.759 -7.139 -23.462 1.00 0.00 H new ATOM 0 HG SER A 74 -18.402 -9.017 -22.064 1.00 0.00 H new ATOM 1126 N LEU A 75 -19.787 -5.659 -20.704 1.00 0.00 N ATOM 1127 CA LEU A 75 -21.130 -5.654 -20.135 1.00 0.00 C ATOM 1128 C LEU A 75 -22.026 -6.664 -20.845 1.00 0.00 C ATOM 1129 O LEU A 75 -22.596 -7.554 -20.214 1.00 0.00 O ATOM 1130 CB LEU A 75 -21.742 -4.255 -20.234 1.00 0.00 C ATOM 1131 CG LEU A 75 -23.167 -4.107 -19.700 1.00 0.00 C ATOM 1132 CD1 LEU A 75 -23.178 -4.177 -18.181 1.00 0.00 C ATOM 1133 CD2 LEU A 75 -23.783 -2.800 -20.180 1.00 0.00 C ATOM 0 H LEU A 75 -19.374 -4.733 -20.817 1.00 0.00 H new ATOM 0 HA LEU A 75 -21.054 -5.938 -19.085 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -21.099 -3.560 -19.694 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -21.734 -3.950 -21.280 1.00 0.00 H new ATOM 0 HG LEU A 75 -23.767 -4.932 -20.085 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -24.201 -4.070 -17.819 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -22.778 -5.138 -17.858 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -22.563 -3.373 -17.775 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -24.797 -2.711 -19.791 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -23.183 -1.963 -19.824 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -23.811 -2.789 -21.270 1.00 0.00 H new ATOM 1145 N ALA A 76 -22.142 -6.521 -22.161 1.00 0.00 N ATOM 1146 CA ALA A 76 -22.964 -7.424 -22.958 1.00 0.00 C ATOM 1147 C ALA A 76 -22.832 -8.862 -22.469 1.00 0.00 C ATOM 1148 O ALA A 76 -23.767 -9.423 -21.900 1.00 0.00 O ATOM 1149 CB ALA A 76 -22.583 -7.327 -24.427 1.00 0.00 C ATOM 0 H ALA A 76 -21.677 -5.789 -22.698 1.00 0.00 H new ATOM 0 HA ALA A 76 -24.005 -7.123 -22.844 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -23.205 -8.007 -25.010 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -22.736 -6.306 -24.776 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -21.535 -7.599 -24.550 1.00 0.00 H new ATOM 1155 N GLY A 77 -21.663 -9.455 -22.696 1.00 0.00 N ATOM 1156 CA GLY A 77 -21.431 -10.823 -22.273 1.00 0.00 C ATOM 1157 C GLY A 77 -22.165 -11.167 -20.992 1.00 0.00 C ATOM 1158 O GLY A 77 -22.976 -12.091 -20.962 1.00 0.00 O ATOM 0 H GLY A 77 -20.873 -9.012 -23.165 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -21.748 -11.503 -23.064 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -20.362 -10.979 -22.128 1.00 0.00 H new ATOM 1162 N MET A 78 -21.878 -10.421 -19.929 1.00 0.00 N ATOM 1163 CA MET A 78 -22.517 -10.653 -18.639 1.00 0.00 C ATOM 1164 C MET A 78 -24.036 -10.653 -18.777 1.00 0.00 C ATOM 1165 O MET A 78 -24.710 -11.584 -18.336 1.00 0.00 O ATOM 1166 CB MET A 78 -22.084 -9.585 -17.633 1.00 0.00 C ATOM 1167 CG MET A 78 -23.148 -9.260 -16.596 1.00 0.00 C ATOM 1168 SD MET A 78 -22.663 -7.912 -15.502 1.00 0.00 S ATOM 1169 CE MET A 78 -21.158 -8.576 -14.793 1.00 0.00 C ATOM 0 H MET A 78 -21.208 -9.652 -19.936 1.00 0.00 H new ATOM 0 HA MET A 78 -22.203 -11.632 -18.276 1.00 0.00 H new ATOM 0 HB2 MET A 78 -21.182 -9.923 -17.123 1.00 0.00 H new ATOM 0 HB3 MET A 78 -21.823 -8.674 -18.172 1.00 0.00 H new ATOM 0 HG2 MET A 78 -24.075 -8.995 -17.104 1.00 0.00 H new ATOM 0 HG3 MET A 78 -23.353 -10.150 -16.001 1.00 0.00 H new ATOM 0 HE1 MET A 78 -20.988 -8.127 -13.815 1.00 0.00 H new ATOM 0 HE2 MET A 78 -21.253 -9.656 -14.685 1.00 0.00 H new ATOM 0 HE3 MET A 78 -20.317 -8.349 -15.448 1.00 0.00 H new ATOM 1179 N LYS A 79 -24.570 -9.602 -19.390 1.00 0.00 N ATOM 1180 CA LYS A 79 -26.010 -9.480 -19.587 1.00 0.00 C ATOM 1181 C LYS A 79 -26.595 -10.776 -20.140 1.00 0.00 C ATOM 1182 O LYS A 79 -27.799 -11.015 -20.045 1.00 0.00 O ATOM 1183 CB LYS A 79 -26.319 -8.322 -20.539 1.00 0.00 C ATOM 1184 CG LYS A 79 -25.723 -6.997 -20.098 1.00 0.00 C ATOM 1185 CD LYS A 79 -26.714 -6.183 -19.283 1.00 0.00 C ATOM 1186 CE LYS A 79 -26.585 -6.475 -17.795 1.00 0.00 C ATOM 1187 NZ LYS A 79 -27.770 -5.995 -17.031 1.00 0.00 N ATOM 0 H LYS A 79 -24.027 -8.822 -19.759 1.00 0.00 H new ATOM 0 HA LYS A 79 -26.468 -9.279 -18.619 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -25.942 -8.568 -21.532 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -27.400 -8.213 -20.627 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -24.827 -7.180 -19.505 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -25.415 -6.426 -20.974 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -26.548 -5.121 -19.462 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -27.729 -6.407 -19.612 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -26.466 -7.548 -17.644 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -25.685 -5.997 -17.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -27.644 -6.213 -16.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -27.869 -4.967 -17.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -28.626 -6.470 -17.383 1.00 0.00 H new ATOM 1201 N TYR A 80 -25.735 -11.609 -20.715 1.00 0.00 N ATOM 1202 CA TYR A 80 -26.167 -12.881 -21.283 1.00 0.00 C ATOM 1203 C TYR A 80 -26.090 -13.996 -20.245 1.00 0.00 C ATOM 1204 O TYR A 80 -26.970 -14.854 -20.172 1.00 0.00 O ATOM 1205 CB TYR A 80 -25.309 -13.239 -22.497 1.00 0.00 C ATOM 1206 CG TYR A 80 -26.045 -14.045 -23.544 1.00 0.00 C ATOM 1207 CD1 TYR A 80 -26.664 -15.245 -23.216 1.00 0.00 C ATOM 1208 CD2 TYR A 80 -26.123 -13.606 -24.860 1.00 0.00 C ATOM 1209 CE1 TYR A 80 -27.337 -15.985 -24.169 1.00 0.00 C ATOM 1210 CE2 TYR A 80 -26.795 -14.338 -25.819 1.00 0.00 C ATOM 1211 CZ TYR A 80 -27.400 -15.527 -25.469 1.00 0.00 C ATOM 1212 OH TYR A 80 -28.071 -16.260 -26.420 1.00 0.00 O ATOM 0 H TYR A 80 -24.735 -11.427 -20.800 1.00 0.00 H new ATOM 0 HA TYR A 80 -27.205 -12.775 -21.599 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -24.938 -12.321 -22.952 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -24.439 -13.803 -22.162 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -26.618 -15.605 -22.199 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -25.650 -12.676 -25.138 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -27.811 -16.917 -23.898 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -26.846 -13.981 -26.837 1.00 0.00 H new ATOM 0 HH TYR A 80 -28.022 -15.799 -27.283 1.00 0.00 H new ATOM 1222 N HIS A 81 -25.031 -13.976 -19.442 1.00 0.00 N ATOM 1223 CA HIS A 81 -24.838 -14.984 -18.406 1.00 0.00 C ATOM 1224 C HIS A 81 -26.068 -15.083 -17.508 1.00 0.00 C ATOM 1225 O HIS A 81 -26.322 -16.121 -16.898 1.00 0.00 O ATOM 1226 CB HIS A 81 -23.604 -14.653 -17.566 1.00 0.00 C ATOM 1227 CG HIS A 81 -23.912 -13.849 -16.341 1.00 0.00 C ATOM 1228 ND1 HIS A 81 -23.252 -12.681 -16.021 1.00 0.00 N ATOM 1229 CD2 HIS A 81 -24.818 -14.049 -15.355 1.00 0.00 C ATOM 1230 CE1 HIS A 81 -23.737 -12.199 -14.891 1.00 0.00 C ATOM 1231 NE2 HIS A 81 -24.689 -13.010 -14.466 1.00 0.00 N ATOM 0 H HIS A 81 -24.294 -13.273 -19.489 1.00 0.00 H new ATOM 0 HA HIS A 81 -24.688 -15.947 -18.894 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -23.117 -15.582 -17.268 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -22.892 -14.103 -18.182 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -25.513 -14.872 -15.281 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -23.411 -11.295 -14.398 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -25.239 -12.885 -13.616 1.00 0.00 H new ATOM 1239 N VAL A 82 -26.828 -13.995 -17.433 1.00 0.00 N ATOM 1240 CA VAL A 82 -28.031 -13.959 -16.610 1.00 0.00 C ATOM 1241 C VAL A 82 -29.165 -14.745 -17.259 1.00 0.00 C ATOM 1242 O VAL A 82 -29.899 -15.466 -16.585 1.00 0.00 O ATOM 1243 CB VAL A 82 -28.500 -12.513 -16.363 1.00 0.00 C ATOM 1244 CG1 VAL A 82 -29.834 -12.500 -15.634 1.00 0.00 C ATOM 1245 CG2 VAL A 82 -27.448 -11.738 -15.583 1.00 0.00 C ATOM 0 H VAL A 82 -26.632 -13.127 -17.932 1.00 0.00 H new ATOM 0 HA VAL A 82 -27.774 -14.418 -15.655 1.00 0.00 H new ATOM 0 HB VAL A 82 -28.637 -12.025 -17.328 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -30.148 -11.469 -15.469 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -30.582 -13.016 -16.236 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -29.729 -13.006 -14.674 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -27.796 -10.718 -15.417 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -27.276 -12.223 -14.622 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -26.517 -11.716 -16.150 1.00 0.00 H new ATOM 1255 N MET A 83 -29.300 -14.601 -18.573 1.00 0.00 N ATOM 1256 CA MET A 83 -30.344 -15.299 -19.315 1.00 0.00 C ATOM 1257 C MET A 83 -29.906 -16.718 -19.664 1.00 0.00 C ATOM 1258 O MET A 83 -30.456 -17.342 -20.571 1.00 0.00 O ATOM 1259 CB MET A 83 -30.693 -14.532 -20.592 1.00 0.00 C ATOM 1260 CG MET A 83 -31.474 -13.253 -20.338 1.00 0.00 C ATOM 1261 SD MET A 83 -31.809 -12.332 -21.851 1.00 0.00 S ATOM 1262 CE MET A 83 -30.214 -11.574 -22.147 1.00 0.00 C ATOM 0 H MET A 83 -28.700 -14.008 -19.146 1.00 0.00 H new ATOM 0 HA MET A 83 -31.229 -15.356 -18.681 1.00 0.00 H new ATOM 0 HB2 MET A 83 -29.773 -14.287 -21.122 1.00 0.00 H new ATOM 0 HB3 MET A 83 -31.275 -15.180 -21.247 1.00 0.00 H new ATOM 0 HG2 MET A 83 -32.417 -13.499 -19.850 1.00 0.00 H new ATOM 0 HG3 MET A 83 -30.914 -12.621 -19.649 1.00 0.00 H new ATOM 0 HE1 MET A 83 -30.251 -10.998 -23.072 1.00 0.00 H new ATOM 0 HE2 MET A 83 -29.966 -10.912 -21.317 1.00 0.00 H new ATOM 0 HE3 MET A 83 -29.453 -12.350 -22.233 1.00 0.00 H new ATOM 1272 N ALA A 84 -28.913 -17.222 -18.938 1.00 0.00 N ATOM 1273 CA ALA A 84 -28.403 -18.567 -19.170 1.00 0.00 C ATOM 1274 C ALA A 84 -28.476 -19.409 -17.901 1.00 0.00 C ATOM 1275 O ALA A 84 -28.477 -20.637 -17.959 1.00 0.00 O ATOM 1276 CB ALA A 84 -26.973 -18.508 -19.686 1.00 0.00 C ATOM 0 H ALA A 84 -28.446 -16.718 -18.184 1.00 0.00 H new ATOM 0 HA ALA A 84 -29.030 -19.041 -19.925 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -26.605 -19.520 -19.855 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -26.947 -17.951 -20.623 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -26.341 -18.010 -18.951 1.00 0.00 H new ATOM 1282 N ASN A 85 -28.535 -18.738 -16.755 1.00 0.00 N ATOM 1283 CA ASN A 85 -28.606 -19.425 -15.470 1.00 0.00 C ATOM 1284 C ASN A 85 -29.795 -18.929 -14.653 1.00 0.00 C ATOM 1285 O ASN A 85 -30.533 -19.721 -14.066 1.00 0.00 O ATOM 1286 CB ASN A 85 -27.310 -19.216 -14.684 1.00 0.00 C ATOM 1287 CG ASN A 85 -26.129 -19.922 -15.320 1.00 0.00 C ATOM 1288 OD1 ASN A 85 -25.791 -21.047 -14.950 1.00 0.00 O ATOM 1289 ND2 ASN A 85 -25.493 -19.263 -16.282 1.00 0.00 N ATOM 0 H ASN A 85 -28.535 -17.720 -16.690 1.00 0.00 H new ATOM 0 HA ASN A 85 -28.739 -20.490 -15.662 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -27.098 -18.149 -14.615 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -27.443 -19.581 -13.666 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -24.690 -19.688 -16.746 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -25.808 -18.332 -16.557 1.00 0.00 H new ATOM 1296 N HIS A 86 -29.976 -17.612 -14.620 1.00 0.00 N ATOM 1297 CA HIS A 86 -31.076 -17.009 -13.876 1.00 0.00 C ATOM 1298 C HIS A 86 -32.342 -16.958 -14.725 1.00 0.00 C ATOM 1299 O HIS A 86 -33.298 -17.691 -14.475 1.00 0.00 O ATOM 1300 CB HIS A 86 -30.698 -15.600 -13.418 1.00 0.00 C ATOM 1301 CG HIS A 86 -29.339 -15.518 -12.793 1.00 0.00 C ATOM 1302 ND1 HIS A 86 -28.926 -16.354 -11.777 1.00 0.00 N ATOM 1303 CD2 HIS A 86 -28.297 -14.693 -13.047 1.00 0.00 C ATOM 1304 CE1 HIS A 86 -27.688 -16.045 -11.432 1.00 0.00 C ATOM 1305 NE2 HIS A 86 -27.283 -15.041 -12.188 1.00 0.00 N ATOM 0 H HIS A 86 -29.375 -16.942 -15.100 1.00 0.00 H new ATOM 0 HA HIS A 86 -31.272 -17.627 -13.000 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -30.737 -14.926 -14.274 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -31.440 -15.248 -12.701 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -29.488 -17.095 -11.357 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -28.268 -13.907 -13.787 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -27.107 -16.531 -10.663 1.00 0.00 H new ATOM 1313 N ASN A 87 -32.341 -16.087 -15.729 1.00 0.00 N ATOM 1314 CA ASN A 87 -33.491 -15.940 -16.614 1.00 0.00 C ATOM 1315 C ASN A 87 -33.441 -16.962 -17.746 1.00 0.00 C ATOM 1316 O ASN A 87 -33.655 -16.625 -18.910 1.00 0.00 O ATOM 1317 CB ASN A 87 -33.538 -14.524 -17.192 1.00 0.00 C ATOM 1318 CG ASN A 87 -34.117 -13.519 -16.216 1.00 0.00 C ATOM 1319 OD1 ASN A 87 -34.980 -13.853 -15.404 1.00 0.00 O ATOM 1320 ND2 ASN A 87 -33.644 -12.281 -16.291 1.00 0.00 N ATOM 0 H ASN A 87 -31.557 -15.473 -15.950 1.00 0.00 H new ATOM 0 HA ASN A 87 -34.393 -16.117 -16.029 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -32.531 -14.215 -17.472 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -34.136 -14.527 -18.104 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -33.996 -11.561 -15.660 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -32.929 -12.049 -16.980 1.00 0.00 H new ATOM 1327 N SER A 88 -33.158 -18.212 -17.394 1.00 0.00 N ATOM 1328 CA SER A 88 -33.076 -19.284 -18.380 1.00 0.00 C ATOM 1329 C SER A 88 -33.620 -20.590 -17.809 1.00 0.00 C ATOM 1330 O SER A 88 -33.423 -20.897 -16.633 1.00 0.00 O ATOM 1331 CB SER A 88 -31.629 -19.477 -18.836 1.00 0.00 C ATOM 1332 OG SER A 88 -31.574 -19.953 -20.170 1.00 0.00 O ATOM 0 H SER A 88 -32.982 -18.508 -16.434 1.00 0.00 H new ATOM 0 HA SER A 88 -33.685 -19.002 -19.239 1.00 0.00 H new ATOM 0 HB2 SER A 88 -31.092 -18.532 -18.761 1.00 0.00 H new ATOM 0 HB3 SER A 88 -31.127 -20.182 -18.174 1.00 0.00 H new ATOM 0 HG SER A 88 -31.193 -19.260 -20.749 1.00 0.00 H new ATOM 1338 N LEU A 89 -34.307 -21.355 -18.650 1.00 0.00 N ATOM 1339 CA LEU A 89 -34.881 -22.629 -18.231 1.00 0.00 C ATOM 1340 C LEU A 89 -34.022 -23.796 -18.708 1.00 0.00 C ATOM 1341 O LEU A 89 -33.530 -23.816 -19.837 1.00 0.00 O ATOM 1342 CB LEU A 89 -36.304 -22.773 -18.773 1.00 0.00 C ATOM 1343 CG LEU A 89 -37.293 -21.683 -18.358 1.00 0.00 C ATOM 1344 CD1 LEU A 89 -37.013 -20.392 -19.111 1.00 0.00 C ATOM 1345 CD2 LEU A 89 -38.724 -22.143 -18.598 1.00 0.00 C ATOM 0 H LEU A 89 -34.480 -21.115 -19.626 1.00 0.00 H new ATOM 0 HA LEU A 89 -34.911 -22.645 -17.142 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -36.256 -22.797 -19.862 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -36.699 -23.736 -18.450 1.00 0.00 H new ATOM 0 HG LEU A 89 -37.167 -21.492 -17.292 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -37.727 -19.628 -18.802 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -36.001 -20.053 -18.889 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -37.110 -20.567 -20.182 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -39.415 -21.355 -18.297 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -38.863 -22.363 -19.657 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -38.921 -23.041 -18.012 1.00 0.00 H new ATOM 1357 N PRO A 90 -33.840 -24.794 -17.831 1.00 0.00 N ATOM 1358 CA PRO A 90 -33.043 -25.985 -18.142 1.00 0.00 C ATOM 1359 C PRO A 90 -33.720 -26.883 -19.172 1.00 0.00 C ATOM 1360 O PRO A 90 -33.180 -27.921 -19.555 1.00 0.00 O ATOM 1361 CB PRO A 90 -32.938 -26.703 -16.794 1.00 0.00 C ATOM 1362 CG PRO A 90 -34.135 -26.252 -16.030 1.00 0.00 C ATOM 1363 CD PRO A 90 -34.398 -24.838 -16.469 1.00 0.00 C ATOM 0 HA PRO A 90 -32.079 -25.727 -18.580 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -32.934 -27.786 -16.921 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -32.016 -26.440 -16.276 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -34.994 -26.891 -16.237 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -33.953 -26.300 -14.956 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -35.463 -24.607 -16.464 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -33.912 -24.116 -15.812 1.00 0.00 H new ATOM 1371 N SER A 91 -34.905 -26.477 -19.617 1.00 0.00 N ATOM 1372 CA SER A 91 -35.657 -27.246 -20.601 1.00 0.00 C ATOM 1373 C SER A 91 -34.942 -27.252 -21.949 1.00 0.00 C ATOM 1374 O SER A 91 -34.692 -26.200 -22.536 1.00 0.00 O ATOM 1375 CB SER A 91 -37.066 -26.672 -20.761 1.00 0.00 C ATOM 1376 OG SER A 91 -37.034 -25.421 -21.427 1.00 0.00 O ATOM 0 H SER A 91 -35.365 -25.619 -19.311 1.00 0.00 H new ATOM 0 HA SER A 91 -35.729 -28.273 -20.243 1.00 0.00 H new ATOM 0 HB2 SER A 91 -37.685 -27.371 -21.323 1.00 0.00 H new ATOM 0 HB3 SER A 91 -37.528 -26.554 -19.781 1.00 0.00 H new ATOM 0 HG SER A 91 -36.202 -25.344 -21.939 1.00 0.00 H new ATOM 1382 N GLY A 92 -34.614 -28.446 -22.433 1.00 0.00 N ATOM 1383 CA GLY A 92 -33.931 -28.568 -23.708 1.00 0.00 C ATOM 1384 C GLY A 92 -33.809 -30.008 -24.165 1.00 0.00 C ATOM 1385 O GLY A 92 -34.805 -30.695 -24.394 1.00 0.00 O ATOM 0 H GLY A 92 -34.809 -29.331 -21.965 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -34.471 -27.995 -24.462 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -32.936 -28.130 -23.627 1.00 0.00 H new ATOM 1389 N PRO A 93 -32.563 -30.484 -24.306 1.00 0.00 N ATOM 1390 CA PRO A 93 -32.285 -31.856 -24.742 1.00 0.00 C ATOM 1391 C PRO A 93 -32.666 -32.888 -23.686 1.00 0.00 C ATOM 1392 O PRO A 93 -31.828 -33.317 -22.892 1.00 0.00 O ATOM 1393 CB PRO A 93 -30.772 -31.857 -24.969 1.00 0.00 C ATOM 1394 CG PRO A 93 -30.256 -30.773 -24.086 1.00 0.00 C ATOM 1395 CD PRO A 93 -31.330 -29.721 -24.050 1.00 0.00 C ATOM 0 HA PRO A 93 -32.862 -32.127 -25.626 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -30.333 -32.821 -24.710 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -30.528 -31.666 -26.014 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -30.047 -31.151 -23.085 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -29.323 -30.365 -24.474 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -31.364 -29.214 -23.086 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -31.167 -28.954 -24.807 1.00 0.00 H new ATOM 1403 N SER A 94 -33.935 -33.284 -23.682 1.00 0.00 N ATOM 1404 CA SER A 94 -34.427 -34.264 -22.721 1.00 0.00 C ATOM 1405 C SER A 94 -33.625 -35.559 -22.806 1.00 0.00 C ATOM 1406 O SER A 94 -33.445 -36.121 -23.886 1.00 0.00 O ATOM 1407 CB SER A 94 -35.909 -34.552 -22.967 1.00 0.00 C ATOM 1408 OG SER A 94 -36.680 -33.365 -22.887 1.00 0.00 O ATOM 0 H SER A 94 -34.641 -32.941 -24.334 1.00 0.00 H new ATOM 0 HA SER A 94 -34.306 -33.847 -21.721 1.00 0.00 H new ATOM 0 HB2 SER A 94 -36.036 -35.006 -23.950 1.00 0.00 H new ATOM 0 HB3 SER A 94 -36.269 -35.273 -22.233 1.00 0.00 H new ATOM 0 HG SER A 94 -37.623 -33.576 -23.050 1.00 0.00 H new ATOM 1414 N SER A 95 -33.145 -36.027 -21.658 1.00 0.00 N ATOM 1415 CA SER A 95 -32.359 -37.254 -21.602 1.00 0.00 C ATOM 1416 C SER A 95 -33.212 -38.424 -21.123 1.00 0.00 C ATOM 1417 O SER A 95 -33.661 -38.452 -19.978 1.00 0.00 O ATOM 1418 CB SER A 95 -31.156 -37.071 -20.675 1.00 0.00 C ATOM 1419 OG SER A 95 -31.560 -37.037 -19.317 1.00 0.00 O ATOM 0 H SER A 95 -33.287 -35.575 -20.755 1.00 0.00 H new ATOM 0 HA SER A 95 -32.003 -37.475 -22.608 1.00 0.00 H new ATOM 0 HB2 SER A 95 -30.448 -37.886 -20.827 1.00 0.00 H new ATOM 0 HB3 SER A 95 -30.636 -36.146 -20.926 1.00 0.00 H new ATOM 0 HG SER A 95 -32.512 -37.262 -19.253 1.00 0.00 H new ATOM 1425 N GLY A 96 -33.431 -39.391 -22.010 1.00 0.00 N ATOM 1426 CA GLY A 96 -34.229 -40.551 -21.661 1.00 0.00 C ATOM 1427 C GLY A 96 -33.380 -41.731 -21.232 1.00 0.00 C ATOM 1428 O GLY A 96 -32.267 -41.525 -20.750 1.00 0.00 O ATOM 0 H GLY A 96 -33.070 -39.391 -22.964 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -34.914 -40.288 -20.855 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -34.840 -40.839 -22.517 1.00 0.00 H new TER 1432 GLY A 96 HETATM 1433 ZN ZN A 201 -3.856 -0.726 -17.609 1.00 0.00 ZN HETATM 1434 ZN ZN A 401 -25.343 -13.741 -12.298 1.00 0.00 ZN